USER MOD reduce.3.24.130724 H: found=0, std=0, add=2018, rem=0, adj=64 USER MOD reduce.3.24.130724 removed 2016 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 ASN : amide:sc= 0.588 K(o=0.48,f=-10!) USER MOD Set 1.2: B 131 ASN : amide:sc= -0.11! C(o=0.48!,f=-8.1!) USER MOD Set 2.1: B 54 TYR OH : rot -146:sc= 0.67 USER MOD Set 2.2: B 119 HIS : no HE2:sc= -6.68! C(o=-5.2!,f=-11!) USER MOD Set 2.3: B 125 SER OG : rot -42:sc= 0.78 USER MOD Set 3.1: A 10 THR OG1 : rot 82:sc= 0.499 USER MOD Set 3.2: B 80 THR OG1 : rot 180:sc= 0.501 USER MOD Set 4.1: A 12 THR OG1 : rot -150:sc= 0.317 USER MOD Set 4.2: B 78 THR OG1 : rot -105:sc= -0.194 USER MOD Set 5.1: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: B 10 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 54 TYR OH : rot -148:sc= 1.35 USER MOD Set 6.2: A 119 HIS : no HE2:sc= 1.07 K(o=2.4,f=-3.8!) USER MOD Set 7.1: A 45 ASN : amide:sc= 0.685 K(o=1.1,f=-6.3!) USER MOD Set 7.2: B 5 TYR OH : rot -67:sc= 0.678 USER MOD Set 7.3: B 7 THR OG1 : rot 91:sc= 0.209 USER MOD Set 7.4: B 25 LYS NZ :NH3+ 141:sc= -0.513! (180deg=-1.47) USER MOD Set 8.1: A 7 THR OG1 : rot 46:sc= 1.16 USER MOD Set 8.2: A 21 SER OG : rot 60:sc= -2.04! USER MOD Set 8.3: B 48 GLN : amide:sc= 0.137 K(o=-0.74,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 174:sc= -2.49 (180deg=-2.71) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.104 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= 1.12 (180deg=0.498) USER MOD Single : A 11 SER OG : rot -20:sc= -0.0605 USER MOD Single : A 20 THR OG1 : rot -107:sc= 0.497 USER MOD Single : A 22 HIS : no HE2:sc= -0.135 K(o=-0.14,f=-4.4) USER MOD Single : A 24 GLN : amide:sc= 0.292 X(o=0.29,f=-0.18) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.028) USER MOD Single : A 31 SER OG : rot 37:sc= 0.85 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.75! C(o=-4.7!,f=-8.1!) USER MOD Single : A 55 SER OG : rot 70:sc= -0.476 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.429 USER MOD Single : A 60 SER OG : rot 118:sc= 0.369 USER MOD Single : A 62 MET CE :methyl -179:sc= -0.276 (180deg=-0.277) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -1.24! (180deg=-2.78!) USER MOD Single : A 68 GLN : amide:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 69 ASN : amide:sc= 0.577 K(o=0.58,f=-0.037) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0683 (180deg=-0.336) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 37:sc= 1.19 USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00435 USER MOD Single : A 88 ASN : amide:sc= -1.21 K(o=-1.2,f=-11!) USER MOD Single : A 112 LYS NZ :NH3+ -127:sc= -1.1 (180deg=-3.41!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.558 X(o=-0.56,f=-0.062) USER MOD Single : A 122 CYS SG : rot -1:sc= 0.453 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.0909 USER MOD Single : A 125 SER OG : rot 180:sc= -0.544 USER MOD Single : A 128 THR OG1 : rot -41:sc= 0.0404 USER MOD Single : A 130 ASN : amide:sc= -0.294 K(o=-0.29,f=-0.88) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.0121 F(o=-1,f=-0.012) USER MOD Single : B 1 MET CE :methyl -148:sc= -0.584 (180deg=-2.37) USER MOD Single : B 1 MET N :NH3+ -113:sc= 0.104 (180deg=-0.0665) USER MOD Single : B 2 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 SER OG : rot -159:sc= 0.0217 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 THR OG1 : rot -116:sc= -0.41 USER MOD Single : B 21 SER OG : rot -74:sc= 0.247 USER MOD Single : B 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 24 GLN : amide:sc= 0.484 K(o=0.48,f=-0.083) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot 30:sc= -0.481 USER MOD Single : B 44 THR OG1 : rot -67:sc= 0.00206 USER MOD Single : B 45 ASN : amide:sc= -0.493 K(o=-0.49,f=-3.8!) USER MOD Single : B 55 SER OG : rot 78:sc= -1.31! USER MOD Single : B 57 CYS SG : rot 50:sc= -5.25! USER MOD Single : B 60 SER OG : rot -43:sc= 0.0119 USER MOD Single : B 62 MET CE :methyl -109:sc= -0.666 (180deg=-2.31!) USER MOD Single : B 63 LYS NZ :NH3+ 171:sc= 0.0656 (180deg=0.054) USER MOD Single : B 68 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : B 69 ASN : amide:sc= -1.45! C(o=-1.5!,f=-3.1!) USER MOD Single : B 70 LYS NZ :NH3+ -157:sc= 1.22 (180deg=1.11) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 72 THR OG1 : rot 47:sc= 0.00732 USER MOD Single : B 77 THR OG1 : rot 23:sc= 0.839 USER MOD Single : B 88 ASN : amide:sc= -0.993 K(o=-0.99,f=-9.7!) USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 122 CYS SG : rot 90:sc= -0.323 USER MOD Single : B 124 TYR OH : rot 19:sc= 0.502 USER MOD Single : B 126 ASN : amide:sc= 0.659 K(o=0.66,f=-0.015) USER MOD Single : B 128 THR OG1 : rot 180:sc= -0.763 USER MOD Single : B 130 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.953 0.618 2.361 1.00 60.05 N ATOM 2 CA MET A 1 2.161 0.966 0.932 1.00 3.23 C ATOM 3 C MET A 1 2.816 -0.195 0.185 1.00 42.13 C ATOM 4 O MET A 1 2.981 -1.280 0.743 1.00 30.31 O ATOM 5 CB MET A 1 3.044 2.205 0.799 1.00 13.52 C ATOM 6 CG MET A 1 4.448 1.966 1.296 1.00 60.32 C ATOM 7 SD MET A 1 5.595 3.280 0.848 1.00 71.43 S ATOM 8 CE MET A 1 7.149 2.451 1.164 1.00 20.11 C ATOM 0 H1 MET A 1 0.934 0.583 2.565 1.00 60.05 H new ATOM 0 H2 MET A 1 2.378 -0.311 2.557 1.00 60.05 H new ATOM 0 H3 MET A 1 2.402 1.338 2.963 1.00 60.05 H new ATOM 0 HA MET A 1 1.183 1.172 0.496 1.00 3.23 H new ATOM 0 HB2 MET A 1 3.079 2.513 -0.246 1.00 13.52 H new ATOM 0 HB3 MET A 1 2.598 3.027 1.359 1.00 13.52 H new ATOM 0 HG2 MET A 1 4.429 1.864 2.381 1.00 60.32 H new ATOM 0 HG3 MET A 1 4.813 1.021 0.893 1.00 60.32 H new ATOM 0 HE1 MET A 1 7.973 3.086 0.838 1.00 20.11 H new ATOM 0 HE2 MET A 1 7.245 2.252 2.231 1.00 20.11 H new ATOM 0 HE3 MET A 1 7.177 1.509 0.616 1.00 20.11 H new ATOM 20 N ASN A 2 3.209 0.042 -1.072 1.00 22.52 N ATOM 21 CA ASN A 2 3.907 -0.970 -1.866 1.00 14.33 C ATOM 22 C ASN A 2 5.350 -1.139 -1.380 1.00 22.14 C ATOM 23 O ASN A 2 6.290 -0.587 -1.954 1.00 72.55 O ATOM 24 CB ASN A 2 3.889 -0.616 -3.362 1.00 31.34 C ATOM 25 CG ASN A 2 4.509 -1.707 -4.226 1.00 75.52 C ATOM 26 OD1 ASN A 2 4.451 -2.893 -3.888 1.00 52.13 O ATOM 27 ND2 ASN A 2 5.111 -1.319 -5.339 1.00 35.23 N ATOM 0 H ASN A 2 3.055 0.925 -1.559 1.00 22.52 H new ATOM 0 HA ASN A 2 3.379 -1.915 -1.734 1.00 14.33 H new ATOM 0 HB2 ASN A 2 2.860 -0.446 -3.680 1.00 31.34 H new ATOM 0 HB3 ASN A 2 4.429 0.318 -3.518 1.00 31.34 H new ATOM 0 HD21 ASN A 2 5.547 -2.009 -5.950 1.00 35.23 H new ATOM 0 HD22 ASN A 2 5.139 -0.330 -5.586 1.00 35.23 H new ATOM 34 N ILE A 3 5.497 -1.856 -0.276 1.00 0.23 N ATOM 35 CA ILE A 3 6.798 -2.192 0.281 1.00 51.02 C ATOM 36 C ILE A 3 7.522 -3.223 -0.581 1.00 3.13 C ATOM 37 O ILE A 3 6.924 -4.196 -1.044 1.00 22.24 O ATOM 38 CB ILE A 3 6.642 -2.752 1.716 1.00 43.32 C ATOM 39 CG1 ILE A 3 5.938 -1.721 2.609 1.00 25.54 C ATOM 40 CG2 ILE A 3 7.997 -3.145 2.303 1.00 24.42 C ATOM 41 CD1 ILE A 3 6.746 -0.466 2.836 1.00 23.10 C ATOM 0 H ILE A 3 4.712 -2.223 0.262 1.00 0.23 H new ATOM 0 HA ILE A 3 7.389 -1.277 0.305 1.00 51.02 H new ATOM 0 HB ILE A 3 6.029 -3.652 1.671 1.00 43.32 H new ATOM 0 HG12 ILE A 3 4.984 -1.452 2.156 1.00 25.54 H new ATOM 0 HG13 ILE A 3 5.715 -2.179 3.573 1.00 25.54 H new ATOM 0 HG21 ILE A 3 7.857 -3.535 3.311 1.00 24.42 H new ATOM 0 HG22 ILE A 3 8.456 -3.911 1.678 1.00 24.42 H new ATOM 0 HG23 ILE A 3 8.646 -2.270 2.339 1.00 24.42 H new ATOM 0 HD11 ILE A 3 6.186 0.216 3.476 1.00 23.10 H new ATOM 0 HD12 ILE A 3 7.690 -0.723 3.318 1.00 23.10 H new ATOM 0 HD13 ILE A 3 6.946 0.016 1.879 1.00 23.10 H new ATOM 53 N LEU A 4 8.811 -2.991 -0.789 1.00 41.13 N ATOM 54 CA LEU A 4 9.668 -3.930 -1.508 1.00 42.04 C ATOM 55 C LEU A 4 10.303 -4.915 -0.534 1.00 41.22 C ATOM 56 O LEU A 4 10.305 -6.124 -0.774 1.00 74.21 O ATOM 57 CB LEU A 4 10.766 -3.186 -2.277 1.00 22.30 C ATOM 58 CG LEU A 4 10.278 -2.191 -3.334 1.00 5.11 C ATOM 59 CD1 LEU A 4 11.462 -1.496 -4.005 1.00 73.22 C ATOM 60 CD2 LEU A 4 9.399 -2.886 -4.373 1.00 52.13 C ATOM 0 H LEU A 4 9.292 -2.151 -0.467 1.00 41.13 H new ATOM 0 HA LEU A 4 9.050 -4.475 -2.221 1.00 42.04 H new ATOM 0 HB2 LEU A 4 11.387 -2.650 -1.559 1.00 22.30 H new ATOM 0 HB3 LEU A 4 11.405 -3.922 -2.765 1.00 22.30 H new ATOM 0 HG LEU A 4 9.674 -1.434 -2.834 1.00 5.11 H new ATOM 0 HD11 LEU A 4 11.095 -0.793 -4.753 1.00 73.22 H new ATOM 0 HD12 LEU A 4 12.041 -0.958 -3.254 1.00 73.22 H new ATOM 0 HD13 LEU A 4 12.096 -2.241 -4.487 1.00 73.22 H new ATOM 0 HD21 LEU A 4 9.065 -2.158 -5.113 1.00 52.13 H new ATOM 0 HD22 LEU A 4 9.972 -3.670 -4.868 1.00 52.13 H new ATOM 0 HD23 LEU A 4 8.532 -3.326 -3.880 1.00 52.13 H new ATOM 72 N TYR A 5 10.851 -4.393 0.564 1.00 24.01 N ATOM 73 CA TYR A 5 11.471 -5.239 1.586 1.00 4.44 C ATOM 74 C TYR A 5 11.054 -4.775 2.974 1.00 12.52 C ATOM 75 O TYR A 5 11.132 -3.594 3.286 1.00 21.34 O ATOM 76 CB TYR A 5 13.003 -5.210 1.463 1.00 54.43 C ATOM 77 CG TYR A 5 13.724 -6.138 2.432 1.00 2.54 C ATOM 78 CD1 TYR A 5 14.033 -5.726 3.726 1.00 4.50 C ATOM 79 CD2 TYR A 5 14.095 -7.425 2.052 1.00 14.20 C ATOM 80 CE1 TYR A 5 14.684 -6.566 4.609 1.00 2.54 C ATOM 81 CE2 TYR A 5 14.748 -8.271 2.931 1.00 4.33 C ATOM 82 CZ TYR A 5 15.039 -7.837 4.208 1.00 33.20 C ATOM 83 OH TYR A 5 15.687 -8.678 5.089 1.00 31.30 O ATOM 0 H TYR A 5 10.879 -3.394 0.768 1.00 24.01 H new ATOM 0 HA TYR A 5 11.131 -6.263 1.433 1.00 4.44 H new ATOM 0 HB2 TYR A 5 13.280 -5.481 0.444 1.00 54.43 H new ATOM 0 HB3 TYR A 5 13.350 -4.190 1.627 1.00 54.43 H new ATOM 0 HD1 TYR A 5 13.759 -4.731 4.045 1.00 4.50 H new ATOM 0 HD2 TYR A 5 13.869 -7.769 1.054 1.00 14.20 H new ATOM 0 HE1 TYR A 5 14.914 -6.229 5.609 1.00 2.54 H new ATOM 0 HE2 TYR A 5 15.029 -9.266 2.619 1.00 4.33 H new ATOM 0 HH TYR A 5 15.865 -9.536 4.651 1.00 31.30 H new ATOM 93 N LYS A 6 10.612 -5.708 3.799 1.00 51.40 N ATOM 94 CA LYS A 6 10.178 -5.399 5.157 1.00 43.32 C ATOM 95 C LYS A 6 10.844 -6.333 6.165 1.00 62.42 C ATOM 96 O LYS A 6 10.888 -7.550 5.969 1.00 13.53 O ATOM 97 CB LYS A 6 8.648 -5.495 5.255 1.00 1.54 C ATOM 98 CG LYS A 6 8.095 -5.274 6.662 1.00 51.03 C ATOM 99 CD LYS A 6 6.570 -5.180 6.674 1.00 30.33 C ATOM 100 CE LYS A 6 6.078 -3.906 5.997 1.00 61.32 C ATOM 101 NZ LYS A 6 4.594 -3.805 6.011 1.00 4.41 N1+ ATOM 0 H LYS A 6 10.543 -6.695 3.552 1.00 51.40 H new ATOM 0 HA LYS A 6 10.480 -4.379 5.395 1.00 43.32 H new ATOM 0 HB2 LYS A 6 8.205 -4.760 4.583 1.00 1.54 H new ATOM 0 HB3 LYS A 6 8.334 -6.478 4.903 1.00 1.54 H new ATOM 0 HG2 LYS A 6 8.412 -6.093 7.308 1.00 51.03 H new ATOM 0 HG3 LYS A 6 8.517 -4.359 7.077 1.00 51.03 H new ATOM 0 HD2 LYS A 6 6.148 -6.048 6.167 1.00 30.33 H new ATOM 0 HD3 LYS A 6 6.212 -5.207 7.703 1.00 30.33 H new ATOM 0 HE2 LYS A 6 6.505 -3.039 6.501 1.00 61.32 H new ATOM 0 HE3 LYS A 6 6.433 -3.882 4.967 1.00 61.32 H new ATOM 0 HZ1 LYS A 6 4.271 -3.320 5.150 1.00 4.41 H new ATOM 0 HZ2 LYS A 6 4.181 -4.759 6.046 1.00 4.41 H new ATOM 0 HZ3 LYS A 6 4.291 -3.265 6.847 1.00 4.41 H new ATOM 115 N THR A 7 11.373 -5.746 7.231 1.00 30.21 N ATOM 116 CA THR A 7 12.004 -6.485 8.317 1.00 33.22 C ATOM 117 C THR A 7 11.330 -6.119 9.642 1.00 54.23 C ATOM 118 O THR A 7 10.480 -5.225 9.680 1.00 73.02 O ATOM 119 CB THR A 7 13.522 -6.179 8.388 1.00 43.13 C ATOM 120 OG1 THR A 7 14.131 -6.934 9.443 1.00 11.53 O ATOM 121 CG2 THR A 7 13.784 -4.688 8.611 1.00 62.33 C ATOM 0 H THR A 7 11.376 -4.735 7.367 1.00 30.21 H new ATOM 0 HA THR A 7 11.884 -7.552 8.129 1.00 33.22 H new ATOM 0 HB THR A 7 13.960 -6.465 7.432 1.00 43.13 H new ATOM 0 HG1 THR A 7 13.814 -7.861 9.407 1.00 11.53 H new ATOM 0 HG21 THR A 7 14.858 -4.510 8.656 1.00 62.33 H new ATOM 0 HG22 THR A 7 13.355 -4.116 7.788 1.00 62.33 H new ATOM 0 HG23 THR A 7 13.325 -4.374 9.549 1.00 62.33 H new ATOM 129 N ALA A 8 11.705 -6.798 10.724 1.00 51.42 N ATOM 130 CA ALA A 8 11.090 -6.558 12.026 1.00 62.45 C ATOM 131 C ALA A 8 12.105 -6.729 13.149 1.00 64.34 C ATOM 132 O ALA A 8 12.864 -7.703 13.170 1.00 4.53 O ATOM 133 CB ALA A 8 9.906 -7.497 12.234 1.00 11.23 C ATOM 0 H ALA A 8 12.429 -7.516 10.725 1.00 51.42 H new ATOM 0 HA ALA A 8 10.731 -5.529 12.047 1.00 62.45 H new ATOM 0 HB1 ALA A 8 9.457 -7.307 13.209 1.00 11.23 H new ATOM 0 HB2 ALA A 8 9.164 -7.326 11.454 1.00 11.23 H new ATOM 0 HB3 ALA A 8 10.249 -8.531 12.188 1.00 11.23 H new ATOM 139 N ALA A 9 12.099 -5.788 14.083 1.00 62.04 N ATOM 140 CA ALA A 9 12.987 -5.821 15.237 1.00 13.24 C ATOM 141 C ALA A 9 12.185 -5.588 16.513 1.00 53.42 C ATOM 142 O ALA A 9 11.535 -4.554 16.658 1.00 45.34 O ATOM 143 CB ALA A 9 14.083 -4.770 15.089 1.00 65.14 C ATOM 0 H ALA A 9 11.478 -4.979 14.062 1.00 62.04 H new ATOM 0 HA ALA A 9 13.460 -6.801 15.297 1.00 13.24 H new ATOM 0 HB1 ALA A 9 14.740 -4.805 15.958 1.00 65.14 H new ATOM 0 HB2 ALA A 9 14.662 -4.972 14.188 1.00 65.14 H new ATOM 0 HB3 ALA A 9 13.631 -3.781 15.015 1.00 65.14 H new ATOM 149 N THR A 10 12.220 -6.550 17.424 1.00 61.23 N ATOM 150 CA THR A 10 11.461 -6.462 18.664 1.00 51.35 C ATOM 151 C THR A 10 12.366 -5.979 19.796 1.00 43.21 C ATOM 152 O THR A 10 13.561 -6.269 19.805 1.00 73.43 O ATOM 153 CB THR A 10 10.821 -7.826 19.024 1.00 34.35 C ATOM 154 OG1 THR A 10 9.895 -7.666 20.103 1.00 3.15 O ATOM 155 CG2 THR A 10 11.879 -8.864 19.398 1.00 70.40 C ATOM 0 H THR A 10 12.769 -7.404 17.327 1.00 61.23 H new ATOM 0 HA THR A 10 10.654 -5.742 18.523 1.00 51.35 H new ATOM 0 HB THR A 10 10.293 -8.187 18.141 1.00 34.35 H new ATOM 0 HG1 THR A 10 9.038 -7.345 19.753 1.00 3.15 H new ATOM 0 HG21 THR A 10 11.392 -9.808 19.644 1.00 70.40 H new ATOM 0 HG22 THR A 10 12.555 -9.014 18.556 1.00 70.40 H new ATOM 0 HG23 THR A 10 12.445 -8.512 20.260 1.00 70.40 H new ATOM 163 N SER A 11 11.808 -5.228 20.732 1.00 71.32 N ATOM 164 CA SER A 11 12.594 -4.668 21.831 1.00 2.43 C ATOM 165 C SER A 11 11.791 -4.628 23.133 1.00 11.12 C ATOM 166 O SER A 11 10.787 -3.923 23.235 1.00 53.54 O ATOM 167 CB SER A 11 13.079 -3.263 21.455 1.00 22.21 C ATOM 168 OG SER A 11 12.002 -2.436 21.059 1.00 52.01 O ATOM 0 H SER A 11 10.817 -4.990 20.757 1.00 71.32 H new ATOM 0 HA SER A 11 13.455 -5.314 21.999 1.00 2.43 H new ATOM 0 HB2 SER A 11 13.592 -2.813 22.305 1.00 22.21 H new ATOM 0 HB3 SER A 11 13.805 -3.331 20.645 1.00 22.21 H new ATOM 0 HG SER A 11 11.241 -2.994 20.796 1.00 52.01 H new ATOM 174 N THR A 12 12.230 -5.411 24.115 1.00 54.12 N ATOM 175 CA THR A 12 11.586 -5.460 25.425 1.00 52.53 C ATOM 176 C THR A 12 12.204 -4.421 26.364 1.00 72.12 C ATOM 177 O THR A 12 13.331 -3.968 26.151 1.00 13.04 O ATOM 178 CB THR A 12 11.748 -6.864 26.060 1.00 35.03 C ATOM 179 OG1 THR A 12 11.478 -7.880 25.083 1.00 61.53 O ATOM 180 CG2 THR A 12 10.817 -7.053 27.253 1.00 33.34 C ATOM 0 H THR A 12 13.038 -6.027 24.026 1.00 54.12 H new ATOM 0 HA THR A 12 10.527 -5.244 25.284 1.00 52.53 H new ATOM 0 HB THR A 12 12.776 -6.949 26.411 1.00 35.03 H new ATOM 0 HG1 THR A 12 11.116 -8.674 25.528 1.00 61.53 H new ATOM 0 HG21 THR A 12 10.960 -8.049 27.672 1.00 33.34 H new ATOM 0 HG22 THR A 12 11.043 -6.305 28.013 1.00 33.34 H new ATOM 0 HG23 THR A 12 9.782 -6.940 26.929 1.00 33.34 H new ATOM 188 N GLY A 13 11.472 -4.055 27.407 1.00 62.44 N ATOM 189 CA GLY A 13 12.003 -3.166 28.428 1.00 34.44 C ATOM 190 C GLY A 13 12.627 -3.953 29.561 1.00 13.14 C ATOM 191 O GLY A 13 12.378 -3.660 30.732 1.00 50.55 O ATOM 0 H GLY A 13 10.512 -4.359 27.567 1.00 62.44 H new ATOM 0 HA2 GLY A 13 12.748 -2.504 27.987 1.00 34.44 H new ATOM 0 HA3 GLY A 13 11.204 -2.534 28.816 1.00 34.44 H new ATOM 195 N GLY A 14 13.465 -4.930 29.186 1.00 62.02 N ATOM 196 CA GLY A 14 13.978 -5.932 30.118 1.00 43.32 C ATOM 197 C GLY A 14 14.439 -5.384 31.461 1.00 33.13 C ATOM 198 O GLY A 14 13.634 -5.207 32.379 1.00 44.52 O ATOM 0 H GLY A 14 13.803 -5.044 28.230 1.00 62.02 H new ATOM 0 HA2 GLY A 14 13.200 -6.675 30.293 1.00 43.32 H new ATOM 0 HA3 GLY A 14 14.814 -6.450 29.648 1.00 43.32 H new ATOM 202 N ARG A 15 15.747 -5.175 31.606 1.00 24.13 N ATOM 203 CA ARG A 15 16.297 -4.627 32.847 1.00 34.21 C ATOM 204 C ARG A 15 16.320 -3.108 32.782 1.00 4.22 C ATOM 205 O ARG A 15 15.755 -2.435 33.641 1.00 73.04 O ATOM 206 CB ARG A 15 17.702 -5.191 33.114 1.00 34.44 C ATOM 207 CG ARG A 15 17.748 -6.719 33.235 1.00 1.44 C ATOM 208 CD ARG A 15 16.869 -7.255 34.373 1.00 44.04 C ATOM 209 NE ARG A 15 15.441 -7.049 34.115 1.00 64.51 N ATOM 210 CZ ARG A 15 14.499 -7.007 35.058 1.00 22.54 C ATOM 211 NH1 ARG A 15 14.794 -7.285 36.322 1.00 12.40 N1+ ATOM 212 NH2 ARG A 15 13.252 -6.703 34.723 1.00 44.23 N ATOM 0 H ARG A 15 16.442 -5.375 30.886 1.00 24.13 H new ATOM 0 HA ARG A 15 15.656 -4.925 33.677 1.00 34.21 H new ATOM 0 HB2 ARG A 15 18.366 -4.880 32.308 1.00 34.44 H new ATOM 0 HB3 ARG A 15 18.090 -4.752 34.033 1.00 34.44 H new ATOM 0 HG2 ARG A 15 17.425 -7.163 32.293 1.00 1.44 H new ATOM 0 HG3 ARG A 15 18.778 -7.035 33.399 1.00 1.44 H new ATOM 0 HD2 ARG A 15 17.062 -8.319 34.508 1.00 44.04 H new ATOM 0 HD3 ARG A 15 17.143 -6.760 35.305 1.00 44.04 H new ATOM 0 HE ARG A 15 15.147 -6.929 33.146 1.00 64.51 H new ATOM 0 HH11 ARG A 15 15.749 -7.534 36.580 1.00 12.40 H new ATOM 0 HH12 ARG A 15 14.066 -7.250 37.035 1.00 12.40 H new ATOM 0 HH21 ARG A 15 13.019 -6.504 33.750 1.00 44.23 H new ATOM 0 HH22 ARG A 15 12.526 -6.669 35.438 1.00 44.23 H new ATOM 226 N ASP A 16 16.953 -2.572 31.745 1.00 4.14 N ATOM 227 CA ASP A 16 16.891 -1.140 31.468 1.00 22.02 C ATOM 228 C ASP A 16 16.354 -0.956 30.053 1.00 52.02 C ATOM 229 O ASP A 16 15.478 -0.125 29.809 1.00 74.22 O ATOM 230 CB ASP A 16 18.281 -0.505 31.622 1.00 50.13 C ATOM 231 CG ASP A 16 18.247 1.018 31.737 1.00 53.42 C ATOM 232 OD1 ASP A 16 17.708 1.680 30.828 1.00 45.04 O ATOM 233 OD2 ASP A 16 18.788 1.556 32.732 1.00 61.02 O1- ATOM 0 H ASP A 16 17.515 -3.106 31.082 1.00 4.14 H new ATOM 0 HA ASP A 16 16.229 -0.643 32.177 1.00 22.02 H new ATOM 0 HB2 ASP A 16 18.764 -0.917 32.508 1.00 50.13 H new ATOM 0 HB3 ASP A 16 18.895 -0.783 30.766 1.00 50.13 H new ATOM 238 N GLY A 17 16.860 -1.781 29.129 1.00 73.12 N ATOM 239 CA GLY A 17 16.209 -1.952 27.849 1.00 31.14 C ATOM 240 C GLY A 17 16.728 -3.179 27.125 1.00 63.12 C ATOM 241 O GLY A 17 17.770 -3.727 27.489 1.00 34.35 O ATOM 0 H GLY A 17 17.710 -2.331 29.253 1.00 73.12 H new ATOM 0 HA2 GLY A 17 15.133 -2.042 27.995 1.00 31.14 H new ATOM 0 HA3 GLY A 17 16.374 -1.067 27.234 1.00 31.14 H new ATOM 245 N ARG A 18 16.003 -3.618 26.112 1.00 71.41 N ATOM 246 CA ARG A 18 16.411 -4.754 25.290 1.00 64.41 C ATOM 247 C ARG A 18 16.087 -4.463 23.827 1.00 2.04 C ATOM 248 O ARG A 18 15.096 -3.802 23.538 1.00 73.24 O ATOM 249 CB ARG A 18 15.688 -6.032 25.746 1.00 30.54 C ATOM 250 CG ARG A 18 16.019 -7.261 24.907 1.00 21.30 C ATOM 251 CD ARG A 18 15.109 -8.440 25.235 1.00 2.42 C ATOM 252 NE ARG A 18 15.306 -8.935 26.601 1.00 61.43 N ATOM 253 CZ ARG A 18 14.384 -9.601 27.303 1.00 42.21 C ATOM 254 NH1 ARG A 18 13.167 -9.807 26.802 1.00 65.11 N1+ ATOM 255 NH2 ARG A 18 14.681 -10.053 28.514 1.00 11.32 N ATOM 0 H ARG A 18 15.115 -3.201 25.832 1.00 71.41 H new ATOM 0 HA ARG A 18 17.485 -4.907 25.400 1.00 64.41 H new ATOM 0 HB2 ARG A 18 15.947 -6.233 26.785 1.00 30.54 H new ATOM 0 HB3 ARG A 18 14.612 -5.861 25.713 1.00 30.54 H new ATOM 0 HG2 ARG A 18 15.925 -7.014 23.850 1.00 21.30 H new ATOM 0 HG3 ARG A 18 17.057 -7.547 25.076 1.00 21.30 H new ATOM 0 HD2 ARG A 18 14.069 -8.139 25.107 1.00 2.42 H new ATOM 0 HD3 ARG A 18 15.297 -9.248 24.528 1.00 2.42 H new ATOM 0 HE ARG A 18 16.207 -8.759 27.045 1.00 61.43 H new ATOM 0 HH11 ARG A 18 12.931 -9.455 25.874 1.00 65.11 H new ATOM 0 HH12 ARG A 18 12.471 -10.317 27.346 1.00 65.11 H new ATOM 0 HH21 ARG A 18 15.609 -9.892 28.905 1.00 11.32 H new ATOM 0 HH22 ARG A 18 13.981 -10.562 29.054 1.00 11.32 H new ATOM 269 N ALA A 19 16.925 -4.950 22.916 1.00 71.12 N ATOM 270 CA ALA A 19 16.703 -4.772 21.482 1.00 34.25 C ATOM 271 C ALA A 19 17.164 -6.007 20.721 1.00 41.03 C ATOM 272 O ALA A 19 18.322 -6.418 20.820 1.00 12.34 O ATOM 273 CB ALA A 19 17.429 -3.534 20.968 1.00 5.35 C ATOM 0 H ALA A 19 17.769 -5.474 23.146 1.00 71.12 H new ATOM 0 HA ALA A 19 15.635 -4.633 21.317 1.00 34.25 H new ATOM 0 HB1 ALA A 19 17.248 -3.424 19.899 1.00 5.35 H new ATOM 0 HB2 ALA A 19 17.060 -2.652 21.491 1.00 5.35 H new ATOM 0 HB3 ALA A 19 18.499 -3.640 21.146 1.00 5.35 H new ATOM 279 N THR A 20 16.257 -6.582 19.954 1.00 63.53 N ATOM 280 CA THR A 20 16.533 -7.787 19.194 1.00 0.02 C ATOM 281 C THR A 20 15.926 -7.692 17.799 1.00 61.21 C ATOM 282 O THR A 20 14.704 -7.692 17.633 1.00 50.32 O ATOM 283 CB THR A 20 15.974 -9.036 19.920 1.00 22.13 C ATOM 284 OG1 THR A 20 16.459 -9.076 21.272 1.00 4.20 O ATOM 285 CG2 THR A 20 16.373 -10.322 19.198 1.00 30.30 C ATOM 0 H THR A 20 15.308 -6.227 19.840 1.00 63.53 H new ATOM 0 HA THR A 20 17.615 -7.885 19.106 1.00 0.02 H new ATOM 0 HB THR A 20 14.886 -8.964 19.920 1.00 22.13 H new ATOM 0 HG1 THR A 20 17.135 -9.780 21.356 1.00 4.20 H new ATOM 0 HG21 THR A 20 15.966 -11.180 19.732 1.00 30.30 H new ATOM 0 HG22 THR A 20 15.979 -10.306 18.182 1.00 30.30 H new ATOM 0 HG23 THR A 20 17.460 -10.398 19.164 1.00 30.30 H new ATOM 293 N SER A 21 16.788 -7.602 16.796 1.00 52.22 N ATOM 294 CA SER A 21 16.349 -7.656 15.420 1.00 61.23 C ATOM 295 C SER A 21 15.906 -9.080 15.148 1.00 4.01 C ATOM 296 O SER A 21 16.753 -9.988 15.056 1.00 53.51 O ATOM 297 CB SER A 21 17.464 -7.229 14.459 1.00 62.30 C ATOM 298 OG SER A 21 17.073 -7.405 13.112 1.00 0.33 O ATOM 0 H SER A 21 17.795 -7.491 16.916 1.00 52.22 H new ATOM 0 HA SER A 21 15.525 -6.961 15.258 1.00 61.23 H new ATOM 0 HB2 SER A 21 17.717 -6.183 14.633 1.00 62.30 H new ATOM 0 HB3 SER A 21 18.363 -7.812 14.659 1.00 62.30 H new ATOM 0 HG SER A 21 16.277 -6.864 12.929 1.00 0.33 H new ATOM 304 N HIS A 22 14.579 -9.241 15.030 1.00 22.03 N ATOM 305 CA HIS A 22 13.896 -10.538 15.108 1.00 2.11 C ATOM 306 C HIS A 22 14.393 -11.521 14.058 1.00 71.44 C ATOM 307 O HIS A 22 14.249 -12.733 14.218 1.00 63.31 O ATOM 308 CB HIS A 22 12.369 -10.335 14.990 1.00 42.33 C ATOM 309 CG HIS A 22 11.750 -10.890 13.736 1.00 64.41 C ATOM 310 ND1 HIS A 22 11.913 -10.315 12.490 1.00 70.44 N ATOM 311 CD2 HIS A 22 10.960 -11.975 13.543 1.00 33.23 C ATOM 312 CE1 HIS A 22 11.249 -11.022 11.594 1.00 21.33 C ATOM 313 NE2 HIS A 22 10.667 -12.031 12.207 1.00 41.54 N ATOM 0 H HIS A 22 13.942 -8.460 14.875 1.00 22.03 H new ATOM 0 HA HIS A 22 14.129 -10.975 16.079 1.00 2.11 H new ATOM 0 HB2 HIS A 22 11.888 -10.799 15.851 1.00 42.33 H new ATOM 0 HB3 HIS A 22 12.154 -9.268 15.042 1.00 42.33 H new ATOM 0 HD1 HIS A 22 12.460 -9.477 12.293 1.00 70.44 H new ATOM 0 HD2 HIS A 22 10.624 -12.666 14.302 1.00 33.23 H new ATOM 0 HE1 HIS A 22 11.193 -10.808 10.537 1.00 21.33 H new ATOM 322 N ASP A 23 14.995 -11.001 13.000 1.00 65.30 N ATOM 323 CA ASP A 23 15.556 -11.840 11.945 1.00 52.23 C ATOM 324 C ASP A 23 16.926 -12.368 12.380 1.00 2.53 C ATOM 325 O ASP A 23 17.715 -12.844 11.561 1.00 21.54 O ATOM 326 CB ASP A 23 15.669 -11.039 10.637 1.00 41.44 C ATOM 327 CG ASP A 23 14.320 -10.527 10.143 1.00 73.43 C ATOM 328 OD1 ASP A 23 13.864 -9.468 10.625 1.00 71.33 O ATOM 329 OD2 ASP A 23 13.703 -11.183 9.272 1.00 13.13 O1- ATOM 0 H ASP A 23 15.109 -9.999 12.846 1.00 65.30 H new ATOM 0 HA ASP A 23 14.896 -12.689 11.768 1.00 52.23 H new ATOM 0 HB2 ASP A 23 16.340 -10.194 10.790 1.00 41.44 H new ATOM 0 HB3 ASP A 23 16.118 -11.668 9.868 1.00 41.44 H new ATOM 334 N GLN A 24 17.183 -12.274 13.691 1.00 30.45 N ATOM 335 CA GLN A 24 18.431 -12.712 14.306 1.00 23.53 C ATOM 336 C GLN A 24 19.590 -11.861 13.811 1.00 71.34 C ATOM 337 O GLN A 24 20.753 -12.258 13.884 1.00 22.01 O ATOM 338 CB GLN A 24 18.685 -14.205 14.058 1.00 42.54 C ATOM 339 CG GLN A 24 17.578 -15.107 14.595 1.00 72.53 C ATOM 340 CD GLN A 24 17.188 -14.777 16.027 1.00 14.50 C ATOM 341 OE1 GLN A 24 17.797 -15.260 16.981 1.00 45.33 O ATOM 342 NE2 GLN A 24 16.148 -13.973 16.187 1.00 4.22 N ATOM 0 H GLN A 24 16.517 -11.885 14.359 1.00 30.45 H new ATOM 0 HA GLN A 24 18.345 -12.578 15.384 1.00 23.53 H new ATOM 0 HB2 GLN A 24 18.793 -14.374 12.987 1.00 42.54 H new ATOM 0 HB3 GLN A 24 19.630 -14.487 14.522 1.00 42.54 H new ATOM 0 HG2 GLN A 24 16.700 -15.017 13.955 1.00 72.53 H new ATOM 0 HG3 GLN A 24 17.905 -16.145 14.543 1.00 72.53 H new ATOM 0 HE21 GLN A 24 15.668 -13.592 15.372 1.00 4.22 H new ATOM 0 HE22 GLN A 24 15.827 -13.735 17.125 1.00 4.22 H new ATOM 351 N LYS A 25 19.258 -10.669 13.332 1.00 22.35 N ATOM 352 CA LYS A 25 20.259 -9.720 12.879 1.00 24.04 C ATOM 353 C LYS A 25 20.850 -8.981 14.072 1.00 45.31 C ATOM 354 O LYS A 25 21.965 -8.458 13.991 1.00 73.44 O ATOM 355 CB LYS A 25 19.651 -8.724 11.880 1.00 30.31 C ATOM 356 CG LYS A 25 19.031 -9.353 10.624 1.00 12.14 C ATOM 357 CD LYS A 25 20.077 -9.930 9.660 1.00 61.23 C ATOM 358 CE LYS A 25 20.472 -11.365 9.999 1.00 52.51 C ATOM 359 NZ LYS A 25 21.564 -11.855 9.121 1.00 22.01 N1+ ATOM 0 H LYS A 25 18.297 -10.338 13.248 1.00 22.35 H new ATOM 0 HA LYS A 25 21.054 -10.267 12.372 1.00 24.04 H new ATOM 0 HB2 LYS A 25 18.884 -8.143 12.392 1.00 30.31 H new ATOM 0 HB3 LYS A 25 20.428 -8.024 11.571 1.00 30.31 H new ATOM 0 HG2 LYS A 25 18.345 -10.145 10.923 1.00 12.14 H new ATOM 0 HG3 LYS A 25 18.441 -8.600 10.102 1.00 12.14 H new ATOM 0 HD2 LYS A 25 19.684 -9.897 8.644 1.00 61.23 H new ATOM 0 HD3 LYS A 25 20.966 -9.300 9.678 1.00 61.23 H new ATOM 0 HE2 LYS A 25 20.790 -11.419 11.040 1.00 52.51 H new ATOM 0 HE3 LYS A 25 19.603 -12.015 9.897 1.00 52.51 H new ATOM 0 HZ1 LYS A 25 21.989 -12.707 9.539 1.00 22.01 H new ATOM 0 HZ2 LYS A 25 21.179 -12.085 8.183 1.00 22.01 H new ATOM 0 HZ3 LYS A 25 22.290 -11.117 9.026 1.00 22.01 H new ATOM 373 N LEU A 26 20.106 -8.932 15.187 1.00 32.33 N ATOM 374 CA LEU A 26 20.616 -8.289 16.393 1.00 24.31 C ATOM 375 C LEU A 26 19.958 -8.872 17.632 1.00 21.31 C ATOM 376 O LEU A 26 18.778 -9.198 17.603 1.00 11.34 O ATOM 377 CB LEU A 26 20.360 -6.781 16.316 1.00 35.55 C ATOM 378 CG LEU A 26 20.665 -5.983 17.590 1.00 2.25 C ATOM 379 CD1 LEU A 26 22.160 -5.976 17.894 1.00 31.22 C ATOM 380 CD2 LEU A 26 20.123 -4.567 17.454 1.00 74.42 C ATOM 0 H LEU A 26 19.168 -9.323 15.273 1.00 32.33 H new ATOM 0 HA LEU A 26 21.689 -8.470 16.462 1.00 24.31 H new ATOM 0 HB2 LEU A 26 20.959 -6.372 15.502 1.00 35.55 H new ATOM 0 HB3 LEU A 26 19.314 -6.623 16.053 1.00 35.55 H new ATOM 0 HG LEU A 26 20.169 -6.467 18.431 1.00 2.25 H new ATOM 0 HD11 LEU A 26 22.344 -5.403 18.803 1.00 31.22 H new ATOM 0 HD12 LEU A 26 22.508 -7.000 18.034 1.00 31.22 H new ATOM 0 HD13 LEU A 26 22.698 -5.521 17.063 1.00 31.22 H new ATOM 0 HD21 LEU A 26 20.342 -4.005 18.362 1.00 74.42 H new ATOM 0 HD22 LEU A 26 20.594 -4.078 16.601 1.00 74.42 H new ATOM 0 HD23 LEU A 26 19.044 -4.603 17.302 1.00 74.42 H new ATOM 392 N ASP A 27 20.726 -9.009 18.706 1.00 3.11 N ATOM 393 CA ASP A 27 20.190 -9.451 19.990 1.00 12.11 C ATOM 394 C ASP A 27 21.074 -8.972 21.140 1.00 11.44 C ATOM 395 O ASP A 27 22.101 -9.586 21.447 1.00 42.31 O ATOM 396 CB ASP A 27 20.046 -10.981 20.037 1.00 5.04 C ATOM 397 CG ASP A 27 19.648 -11.475 21.421 1.00 74.13 C ATOM 398 OD1 ASP A 27 20.440 -12.205 22.057 1.00 54.23 O ATOM 399 OD2 ASP A 27 18.548 -11.117 21.889 1.00 11.42 O1- ATOM 0 H ASP A 27 21.728 -8.819 18.714 1.00 3.11 H new ATOM 0 HA ASP A 27 19.199 -9.011 20.102 1.00 12.11 H new ATOM 0 HB2 ASP A 27 19.298 -11.297 19.310 1.00 5.04 H new ATOM 0 HB3 ASP A 27 20.989 -11.443 19.745 1.00 5.04 H new ATOM 404 N VAL A 28 20.688 -7.854 21.751 1.00 5.03 N ATOM 405 CA VAL A 28 21.397 -7.310 22.910 1.00 42.02 C ATOM 406 C VAL A 28 20.448 -6.598 23.863 1.00 62.12 C ATOM 407 O VAL A 28 19.301 -6.303 23.530 1.00 32.30 O ATOM 408 CB VAL A 28 22.515 -6.310 22.510 1.00 24.24 C ATOM 409 CG1 VAL A 28 23.771 -7.043 22.053 1.00 34.22 C ATOM 410 CG2 VAL A 28 22.014 -5.345 21.436 1.00 1.00 C ATOM 0 H VAL A 28 19.881 -7.302 21.460 1.00 5.03 H new ATOM 0 HA VAL A 28 21.848 -8.171 23.403 1.00 42.02 H new ATOM 0 HB VAL A 28 22.780 -5.726 23.391 1.00 24.24 H new ATOM 0 HG11 VAL A 28 24.537 -6.317 21.779 1.00 34.22 H new ATOM 0 HG12 VAL A 28 24.140 -7.672 22.863 1.00 34.22 H new ATOM 0 HG13 VAL A 28 23.535 -7.665 21.189 1.00 34.22 H new ATOM 0 HG21 VAL A 28 22.812 -4.652 21.169 1.00 1.00 H new ATOM 0 HG22 VAL A 28 21.712 -5.908 20.553 1.00 1.00 H new ATOM 0 HG23 VAL A 28 21.161 -4.786 21.819 1.00 1.00 H new ATOM 420 N LYS A 29 20.955 -6.336 25.053 1.00 24.10 N ATOM 421 CA LYS A 29 20.268 -5.530 26.045 1.00 44.35 C ATOM 422 C LYS A 29 21.007 -4.211 26.212 1.00 43.02 C ATOM 423 O LYS A 29 22.236 -4.187 26.262 1.00 12.55 O ATOM 424 CB LYS A 29 20.203 -6.289 27.375 1.00 13.02 C ATOM 425 CG LYS A 29 20.192 -5.397 28.618 1.00 22.53 C ATOM 426 CD LYS A 29 20.015 -6.209 29.902 1.00 24.23 C ATOM 427 CE LYS A 29 21.054 -7.324 30.030 1.00 1.41 C ATOM 428 NZ LYS A 29 22.447 -6.807 30.024 1.00 62.42 N1+ ATOM 0 H LYS A 29 21.864 -6.680 25.361 1.00 24.10 H new ATOM 0 HA LYS A 29 19.248 -5.326 25.718 1.00 44.35 H new ATOM 0 HB2 LYS A 29 19.306 -6.909 27.381 1.00 13.02 H new ATOM 0 HB3 LYS A 29 21.057 -6.963 27.435 1.00 13.02 H new ATOM 0 HG2 LYS A 29 21.125 -4.835 28.670 1.00 22.53 H new ATOM 0 HG3 LYS A 29 19.385 -4.669 28.535 1.00 22.53 H new ATOM 0 HD2 LYS A 29 20.090 -5.545 30.763 1.00 24.23 H new ATOM 0 HD3 LYS A 29 19.015 -6.643 29.920 1.00 24.23 H new ATOM 0 HE2 LYS A 29 20.879 -7.875 30.954 1.00 1.41 H new ATOM 0 HE3 LYS A 29 20.928 -8.030 29.209 1.00 1.41 H new ATOM 0 HZ1 LYS A 29 23.110 -7.593 30.181 1.00 62.42 H new ATOM 0 HZ2 LYS A 29 22.648 -6.362 29.106 1.00 62.42 H new ATOM 0 HZ3 LYS A 29 22.559 -6.103 30.781 1.00 62.42 H new ATOM 442 N LEU A 30 20.263 -3.121 26.294 1.00 2.53 N ATOM 443 CA LEU A 30 20.857 -1.805 26.422 1.00 41.03 C ATOM 444 C LEU A 30 20.330 -1.091 27.664 1.00 64.12 C ATOM 445 O LEU A 30 19.464 -1.621 28.392 1.00 54.30 O ATOM 446 CB LEU A 30 20.658 -0.964 25.136 1.00 11.12 C ATOM 447 CG LEU A 30 19.271 -0.989 24.457 1.00 54.41 C ATOM 448 CD1 LEU A 30 19.003 -2.328 23.775 1.00 21.32 C ATOM 449 CD2 LEU A 30 18.163 -0.652 25.447 1.00 54.12 C ATOM 0 H LEU A 30 19.243 -3.124 26.274 1.00 2.53 H new ATOM 0 HA LEU A 30 21.932 -1.930 26.549 1.00 41.03 H new ATOM 0 HB2 LEU A 30 20.893 0.073 25.376 1.00 11.12 H new ATOM 0 HB3 LEU A 30 21.394 -1.296 24.403 1.00 11.12 H new ATOM 0 HG LEU A 30 19.277 -0.220 23.685 1.00 54.41 H new ATOM 0 HD11 LEU A 30 18.018 -2.308 23.308 1.00 21.32 H new ATOM 0 HD12 LEU A 30 19.762 -2.507 23.013 1.00 21.32 H new ATOM 0 HD13 LEU A 30 19.037 -3.127 24.516 1.00 21.32 H new ATOM 0 HD21 LEU A 30 17.200 -0.678 24.938 1.00 54.12 H new ATOM 0 HD22 LEU A 30 18.165 -1.381 26.257 1.00 54.12 H new ATOM 0 HD23 LEU A 30 18.331 0.345 25.855 1.00 54.12 H new ATOM 461 N SER A 31 20.858 0.102 27.901 1.00 75.34 N ATOM 462 CA SER A 31 20.564 0.840 29.109 1.00 34.22 C ATOM 463 C SER A 31 20.699 2.342 28.888 1.00 62.41 C ATOM 464 O SER A 31 21.706 2.812 28.349 1.00 64.13 O ATOM 465 CB SER A 31 21.513 0.387 30.221 1.00 52.23 C ATOM 466 OG SER A 31 22.866 0.466 29.795 1.00 11.31 O ATOM 0 H SER A 31 21.497 0.577 27.263 1.00 75.34 H new ATOM 0 HA SER A 31 19.532 0.637 29.396 1.00 34.22 H new ATOM 0 HB2 SER A 31 21.368 1.009 31.104 1.00 52.23 H new ATOM 0 HB3 SER A 31 21.278 -0.637 30.511 1.00 52.23 H new ATOM 0 HG SER A 31 22.985 1.257 29.229 1.00 11.31 H new ATOM 472 N ALA A 32 19.678 3.081 29.299 1.00 52.21 N ATOM 473 CA ALA A 32 19.734 4.533 29.323 1.00 43.51 C ATOM 474 C ALA A 32 20.723 4.977 30.400 1.00 25.12 C ATOM 475 O ALA A 32 21.091 4.177 31.265 1.00 4.30 O ATOM 476 CB ALA A 32 18.343 5.100 29.596 1.00 22.44 C ATOM 0 H ALA A 32 18.793 2.692 29.623 1.00 52.21 H new ATOM 0 HA ALA A 32 20.071 4.909 28.357 1.00 43.51 H new ATOM 0 HB1 ALA A 32 18.391 6.189 29.613 1.00 22.44 H new ATOM 0 HB2 ALA A 32 17.659 4.779 28.811 1.00 22.44 H new ATOM 0 HB3 ALA A 32 17.985 4.738 30.560 1.00 22.44 H new ATOM 482 N PRO A 33 21.198 6.236 30.367 1.00 32.33 N ATOM 483 CA PRO A 33 22.069 6.753 31.421 1.00 35.40 C ATOM 484 C PRO A 33 21.389 6.693 32.788 1.00 50.42 C ATOM 485 O PRO A 33 20.796 7.676 33.247 1.00 70.53 O ATOM 486 CB PRO A 33 22.341 8.206 30.999 1.00 73.33 C ATOM 487 CG PRO A 33 22.080 8.222 29.532 1.00 10.15 C ATOM 488 CD PRO A 33 20.956 7.244 29.313 1.00 32.53 C ATOM 0 HA PRO A 33 22.983 6.169 31.528 1.00 35.40 H new ATOM 0 HB2 PRO A 33 21.688 8.902 31.526 1.00 73.33 H new ATOM 0 HB3 PRO A 33 23.367 8.499 31.223 1.00 73.33 H new ATOM 0 HG2 PRO A 33 21.803 9.220 29.193 1.00 10.15 H new ATOM 0 HG3 PRO A 33 22.969 7.931 28.972 1.00 10.15 H new ATOM 0 HD2 PRO A 33 19.980 7.717 29.421 1.00 32.53 H new ATOM 0 HD3 PRO A 33 20.989 6.805 28.316 1.00 32.53 H new ATOM 496 N ARG A 34 21.445 5.519 33.422 1.00 10.53 N ATOM 497 CA ARG A 34 20.882 5.338 34.752 1.00 33.33 C ATOM 498 C ARG A 34 21.492 6.345 35.721 1.00 40.12 C ATOM 499 O ARG A 34 20.908 6.669 36.757 1.00 0.24 O ATOM 500 CB ARG A 34 21.095 3.894 35.236 1.00 35.21 C ATOM 501 CG ARG A 34 20.393 3.566 36.557 1.00 34.41 C ATOM 502 CD ARG A 34 21.296 3.767 37.770 1.00 50.12 C ATOM 503 NE ARG A 34 20.570 3.559 39.025 1.00 3.50 N ATOM 504 CZ ARG A 34 21.143 3.205 40.177 1.00 2.33 C ATOM 505 NH1 ARG A 34 22.451 2.983 40.235 1.00 23.02 N1+ ATOM 506 NH2 ARG A 34 20.403 3.071 41.269 1.00 21.42 N ATOM 0 H ARG A 34 21.876 4.682 33.031 1.00 10.53 H new ATOM 0 HA ARG A 34 19.808 5.517 34.710 1.00 33.33 H new ATOM 0 HB2 ARG A 34 20.738 3.208 34.467 1.00 35.21 H new ATOM 0 HB3 ARG A 34 22.164 3.715 35.351 1.00 35.21 H new ATOM 0 HG2 ARG A 34 19.509 4.195 36.660 1.00 34.41 H new ATOM 0 HG3 ARG A 34 20.048 2.532 36.533 1.00 34.41 H new ATOM 0 HD2 ARG A 34 22.137 3.075 37.717 1.00 50.12 H new ATOM 0 HD3 ARG A 34 21.711 4.775 37.752 1.00 50.12 H new ATOM 0 HE ARG A 34 19.559 3.694 39.018 1.00 3.50 H new ATOM 0 HH11 ARG A 34 23.023 3.083 39.396 1.00 23.02 H new ATOM 0 HH12 ARG A 34 22.884 2.713 41.118 1.00 23.02 H new ATOM 0 HH21 ARG A 34 19.398 3.238 41.228 1.00 21.42 H new ATOM 0 HH22 ARG A 34 20.839 2.800 42.151 1.00 21.42 H new ATOM 520 N GLU A 35 22.661 6.849 35.349 1.00 72.31 N ATOM 521 CA GLU A 35 23.355 7.873 36.115 1.00 75.14 C ATOM 522 C GLU A 35 22.466 9.088 36.366 1.00 65.21 C ATOM 523 O GLU A 35 22.631 9.796 37.361 1.00 33.12 O ATOM 524 CB GLU A 35 24.628 8.307 35.374 1.00 20.34 C ATOM 525 CG GLU A 35 25.666 7.199 35.227 1.00 71.30 C ATOM 526 CD GLU A 35 26.118 6.628 36.565 1.00 31.03 C ATOM 527 OE1 GLU A 35 26.905 7.297 37.269 1.00 31.45 O ATOM 528 OE2 GLU A 35 25.694 5.506 36.914 1.00 43.03 O1- ATOM 0 H GLU A 35 23.155 6.558 34.505 1.00 72.31 H new ATOM 0 HA GLU A 35 23.619 7.444 37.082 1.00 75.14 H new ATOM 0 HB2 GLU A 35 24.354 8.669 34.383 1.00 20.34 H new ATOM 0 HB3 GLU A 35 25.078 9.145 35.906 1.00 20.34 H new ATOM 0 HG2 GLU A 35 25.250 6.397 34.618 1.00 71.30 H new ATOM 0 HG3 GLU A 35 26.533 7.589 34.693 1.00 71.30 H new ATOM 535 N LEU A 36 21.507 9.304 35.475 1.00 33.22 N ATOM 536 CA LEU A 36 20.673 10.499 35.508 1.00 32.24 C ATOM 537 C LEU A 36 19.228 10.136 35.840 1.00 55.25 C ATOM 538 O LEU A 36 18.553 10.848 36.589 1.00 40.24 O ATOM 539 CB LEU A 36 20.756 11.211 34.154 1.00 11.21 C ATOM 540 CG LEU A 36 22.190 11.522 33.687 1.00 24.22 C ATOM 541 CD1 LEU A 36 22.191 12.144 32.298 1.00 52.21 C ATOM 542 CD2 LEU A 36 22.902 12.431 34.690 1.00 63.44 C ATOM 0 H LEU A 36 21.286 8.661 34.714 1.00 33.22 H new ATOM 0 HA LEU A 36 21.035 11.170 36.287 1.00 32.24 H new ATOM 0 HB2 LEU A 36 20.268 10.592 33.401 1.00 11.21 H new ATOM 0 HB3 LEU A 36 20.195 12.144 34.213 1.00 11.21 H new ATOM 0 HG LEU A 36 22.737 10.581 33.632 1.00 24.22 H new ATOM 0 HD11 LEU A 36 23.217 12.353 31.994 1.00 52.21 H new ATOM 0 HD12 LEU A 36 21.736 11.452 31.589 1.00 52.21 H new ATOM 0 HD13 LEU A 36 21.621 13.073 32.315 1.00 52.21 H new ATOM 0 HD21 LEU A 36 23.913 12.638 34.340 1.00 63.44 H new ATOM 0 HD22 LEU A 36 22.353 13.368 34.786 1.00 63.44 H new ATOM 0 HD23 LEU A 36 22.948 11.937 35.660 1.00 63.44 H new ATOM 554 N GLY A 37 18.762 9.023 35.281 1.00 72.22 N ATOM 555 CA GLY A 37 17.413 8.556 35.548 1.00 12.23 C ATOM 556 C GLY A 37 17.037 7.373 34.681 1.00 31.23 C ATOM 557 O GLY A 37 16.154 7.473 33.828 1.00 41.24 O ATOM 0 H GLY A 37 19.298 8.433 34.644 1.00 72.22 H new ATOM 0 HA2 GLY A 37 17.328 8.277 36.598 1.00 12.23 H new ATOM 0 HA3 GLY A 37 16.708 9.369 35.376 1.00 12.23 H new ATOM 561 N GLY A 38 17.725 6.254 34.884 1.00 73.44 N ATOM 562 CA GLY A 38 17.428 5.046 34.119 1.00 31.42 C ATOM 563 C GLY A 38 16.817 3.950 34.974 1.00 22.15 C ATOM 564 O GLY A 38 15.886 4.201 35.747 1.00 21.21 O ATOM 0 H GLY A 38 18.482 6.157 35.561 1.00 73.44 H new ATOM 0 HA2 GLY A 38 16.743 5.293 33.308 1.00 31.42 H new ATOM 0 HA3 GLY A 38 18.345 4.676 33.661 1.00 31.42 H new ATOM 568 N ALA A 39 17.340 2.737 34.832 1.00 14.21 N ATOM 569 CA ALA A 39 16.864 1.580 35.594 1.00 43.43 C ATOM 570 C ALA A 39 18.035 0.767 36.155 1.00 63.22 C ATOM 571 O ALA A 39 17.905 0.110 37.192 1.00 3.43 O ATOM 572 CB ALA A 39 15.970 0.703 34.722 1.00 5.43 C ATOM 0 H ALA A 39 18.103 2.525 34.189 1.00 14.21 H new ATOM 0 HA ALA A 39 16.279 1.947 36.437 1.00 43.43 H new ATOM 0 HB1 ALA A 39 15.624 -0.153 35.301 1.00 5.43 H new ATOM 0 HB2 ALA A 39 15.112 1.283 34.382 1.00 5.43 H new ATOM 0 HB3 ALA A 39 16.535 0.352 33.859 1.00 5.43 H new ATOM 578 N GLY A 40 19.182 0.811 35.472 1.00 15.31 N ATOM 579 CA GLY A 40 20.370 0.128 35.963 1.00 42.15 C ATOM 580 C GLY A 40 20.719 -1.118 35.168 1.00 45.53 C ATOM 581 O GLY A 40 20.176 -2.196 35.418 1.00 15.12 O ATOM 0 H GLY A 40 19.308 1.307 34.590 1.00 15.31 H new ATOM 0 HA2 GLY A 40 21.214 0.817 35.935 1.00 42.15 H new ATOM 0 HA3 GLY A 40 20.217 -0.146 37.007 1.00 42.15 H new ATOM 585 N ALA A 41 21.629 -0.968 34.213 1.00 5.32 N ATOM 586 CA ALA A 41 22.157 -2.093 33.445 1.00 5.21 C ATOM 587 C ALA A 41 23.425 -1.667 32.716 1.00 44.21 C ATOM 588 O ALA A 41 23.676 -0.472 32.550 1.00 13.22 O ATOM 589 CB ALA A 41 21.115 -2.624 32.462 1.00 40.21 C ATOM 0 H ALA A 41 22.022 -0.065 33.948 1.00 5.32 H new ATOM 0 HA ALA A 41 22.401 -2.903 34.133 1.00 5.21 H new ATOM 0 HB1 ALA A 41 21.535 -3.461 31.904 1.00 40.21 H new ATOM 0 HB2 ALA A 41 20.235 -2.959 33.011 1.00 40.21 H new ATOM 0 HB3 ALA A 41 20.831 -1.832 31.769 1.00 40.21 H new ATOM 595 N GLU A 42 24.228 -2.637 32.295 1.00 32.32 N ATOM 596 CA GLU A 42 25.490 -2.353 31.615 1.00 71.23 C ATOM 597 C GLU A 42 25.351 -2.588 30.111 1.00 1.12 C ATOM 598 O GLU A 42 25.960 -3.501 29.544 1.00 55.43 O ATOM 599 CB GLU A 42 26.614 -3.215 32.210 1.00 42.31 C ATOM 600 CG GLU A 42 26.310 -4.711 32.197 1.00 52.14 C ATOM 601 CD GLU A 42 27.417 -5.543 32.817 1.00 31.41 C ATOM 602 OE1 GLU A 42 27.234 -6.043 33.948 1.00 24.22 O ATOM 603 OE2 GLU A 42 28.483 -5.689 32.182 1.00 54.53 O1- ATOM 0 H GLU A 42 24.028 -3.630 32.412 1.00 32.32 H new ATOM 0 HA GLU A 42 25.747 -1.305 31.766 1.00 71.23 H new ATOM 0 HB2 GLU A 42 27.533 -3.035 31.652 1.00 42.31 H new ATOM 0 HB3 GLU A 42 26.798 -2.899 33.237 1.00 42.31 H new ATOM 0 HG2 GLU A 42 25.380 -4.893 32.736 1.00 52.14 H new ATOM 0 HG3 GLU A 42 26.151 -5.036 31.169 1.00 52.14 H new ATOM 610 N GLY A 43 24.531 -1.767 29.468 1.00 3.30 N ATOM 611 CA GLY A 43 24.276 -1.921 28.047 1.00 20.41 C ATOM 612 C GLY A 43 24.670 -0.694 27.248 1.00 55.55 C ATOM 613 O GLY A 43 25.559 0.062 27.644 1.00 25.21 O ATOM 0 H GLY A 43 24.035 -0.992 29.908 1.00 3.30 H new ATOM 0 HA2 GLY A 43 24.826 -2.785 27.674 1.00 20.41 H new ATOM 0 HA3 GLY A 43 23.217 -2.127 27.892 1.00 20.41 H new ATOM 617 N THR A 44 23.997 -0.497 26.125 1.00 1.14 N ATOM 618 CA THR A 44 24.284 0.610 25.223 1.00 0.00 C ATOM 619 C THR A 44 23.304 1.759 25.460 1.00 54.32 C ATOM 620 O THR A 44 22.122 1.530 25.701 1.00 53.24 O ATOM 621 CB THR A 44 24.192 0.139 23.755 1.00 74.01 C ATOM 622 OG1 THR A 44 25.080 -0.967 23.545 1.00 60.01 O ATOM 623 CG2 THR A 44 24.537 1.261 22.783 1.00 54.14 C ATOM 0 H THR A 44 23.236 -1.100 25.812 1.00 1.14 H new ATOM 0 HA THR A 44 25.296 0.963 25.422 1.00 0.00 H new ATOM 0 HB THR A 44 23.163 -0.168 23.566 1.00 74.01 H new ATOM 0 HG1 THR A 44 25.018 -1.264 22.613 1.00 60.01 H new ATOM 0 HG21 THR A 44 24.461 0.892 21.760 1.00 54.14 H new ATOM 0 HG22 THR A 44 23.843 2.089 22.922 1.00 54.14 H new ATOM 0 HG23 THR A 44 25.554 1.605 22.970 1.00 54.14 H new ATOM 631 N ASN A 45 23.795 2.988 25.402 1.00 72.33 N ATOM 632 CA ASN A 45 22.947 4.157 25.609 1.00 33.43 C ATOM 633 C ASN A 45 22.170 4.491 24.337 1.00 24.30 C ATOM 634 O ASN A 45 22.752 4.536 23.251 1.00 63.01 O ATOM 635 CB ASN A 45 23.786 5.358 26.053 1.00 4.20 C ATOM 636 CG ASN A 45 24.417 5.135 27.413 1.00 5.33 C ATOM 637 OD1 ASN A 45 25.535 4.630 27.515 1.00 50.31 O ATOM 638 ND2 ASN A 45 23.703 5.500 28.465 1.00 41.45 N ATOM 0 H ASN A 45 24.774 3.204 25.214 1.00 72.33 H new ATOM 0 HA ASN A 45 22.232 3.924 26.398 1.00 33.43 H new ATOM 0 HB2 ASN A 45 24.567 5.547 25.317 1.00 4.20 H new ATOM 0 HB3 ASN A 45 23.157 6.248 26.086 1.00 4.20 H new ATOM 0 HD21 ASN A 45 24.075 5.366 29.405 1.00 41.45 H new ATOM 0 HD22 ASN A 45 22.780 5.915 28.336 1.00 41.45 H new ATOM 645 N PRO A 46 20.843 4.710 24.462 1.00 63.04 N ATOM 646 CA PRO A 46 19.965 5.063 23.333 1.00 61.02 C ATOM 647 C PRO A 46 20.541 6.181 22.465 1.00 4.44 C ATOM 648 O PRO A 46 20.548 6.090 21.233 1.00 23.02 O ATOM 649 CB PRO A 46 18.684 5.536 24.033 1.00 23.35 C ATOM 650 CG PRO A 46 18.648 4.754 25.300 1.00 42.23 C ATOM 651 CD PRO A 46 20.085 4.617 25.732 1.00 1.14 C ATOM 0 HA PRO A 46 19.821 4.227 22.649 1.00 61.02 H new ATOM 0 HB2 PRO A 46 18.710 6.608 24.228 1.00 23.35 H new ATOM 0 HB3 PRO A 46 17.802 5.344 23.422 1.00 23.35 H new ATOM 0 HG2 PRO A 46 18.057 5.266 26.060 1.00 42.23 H new ATOM 0 HG3 PRO A 46 18.190 3.777 25.145 1.00 42.23 H new ATOM 0 HD2 PRO A 46 20.371 5.406 26.428 1.00 1.14 H new ATOM 0 HD3 PRO A 46 20.263 3.667 26.236 1.00 1.14 H new ATOM 659 N GLU A 47 21.036 7.222 23.128 1.00 25.31 N ATOM 660 CA GLU A 47 21.597 8.392 22.451 1.00 53.11 C ATOM 661 C GLU A 47 22.717 7.956 21.508 1.00 42.42 C ATOM 662 O GLU A 47 22.733 8.293 20.317 1.00 0.52 O ATOM 663 CB GLU A 47 22.164 9.406 23.470 1.00 52.55 C ATOM 664 CG GLU A 47 21.275 9.681 24.688 1.00 35.10 C ATOM 665 CD GLU A 47 21.307 8.556 25.715 1.00 32.04 C ATOM 666 OE1 GLU A 47 20.257 7.920 25.942 1.00 53.13 O ATOM 667 OE2 GLU A 47 22.392 8.282 26.267 1.00 62.13 O1- ATOM 0 H GLU A 47 21.061 7.281 24.146 1.00 25.31 H new ATOM 0 HA GLU A 47 20.796 8.871 21.887 1.00 53.11 H new ATOM 0 HB2 GLU A 47 23.129 9.041 23.821 1.00 52.55 H new ATOM 0 HB3 GLU A 47 22.347 10.349 22.955 1.00 52.55 H new ATOM 0 HG2 GLU A 47 21.596 10.608 25.163 1.00 35.10 H new ATOM 0 HG3 GLU A 47 20.248 9.832 24.355 1.00 35.10 H new ATOM 674 N GLN A 48 23.637 7.172 22.059 1.00 41.14 N ATOM 675 CA GLN A 48 24.786 6.678 21.320 1.00 71.11 C ATOM 676 C GLN A 48 24.331 5.731 20.214 1.00 34.04 C ATOM 677 O GLN A 48 24.877 5.743 19.116 1.00 32.22 O ATOM 678 CB GLN A 48 25.757 5.977 22.289 1.00 12.45 C ATOM 679 CG GLN A 48 27.076 5.513 21.665 1.00 72.35 C ATOM 680 CD GLN A 48 26.949 4.256 20.809 1.00 3.55 C ATOM 681 OE1 GLN A 48 27.686 4.065 19.846 1.00 43.42 O ATOM 682 NE2 GLN A 48 26.022 3.380 21.165 1.00 72.04 N ATOM 0 H GLN A 48 23.605 6.863 23.030 1.00 41.14 H new ATOM 0 HA GLN A 48 25.307 7.513 20.852 1.00 71.11 H new ATOM 0 HB2 GLN A 48 25.981 6.658 23.110 1.00 12.45 H new ATOM 0 HB3 GLN A 48 25.253 5.112 22.721 1.00 12.45 H new ATOM 0 HG2 GLN A 48 27.479 6.319 21.052 1.00 72.35 H new ATOM 0 HG3 GLN A 48 27.797 5.327 22.461 1.00 72.35 H new ATOM 0 HE21 GLN A 48 25.425 3.568 21.970 1.00 72.04 H new ATOM 0 HE22 GLN A 48 25.905 2.517 20.634 1.00 72.04 H new ATOM 691 N LEU A 49 23.321 4.919 20.514 1.00 51.33 N ATOM 692 CA LEU A 49 22.829 3.920 19.570 1.00 61.13 C ATOM 693 C LEU A 49 22.335 4.607 18.296 1.00 21.55 C ATOM 694 O LEU A 49 22.741 4.248 17.188 1.00 71.11 O ATOM 695 CB LEU A 49 21.713 3.076 20.221 1.00 4.20 C ATOM 696 CG LEU A 49 21.396 1.723 19.545 1.00 31.10 C ATOM 697 CD1 LEU A 49 20.726 1.912 18.185 1.00 0.52 C ATOM 698 CD2 LEU A 49 22.666 0.881 19.407 1.00 52.41 C ATOM 0 H LEU A 49 22.826 4.934 21.406 1.00 51.33 H new ATOM 0 HA LEU A 49 23.643 3.247 19.300 1.00 61.13 H new ATOM 0 HB2 LEU A 49 21.990 2.884 21.258 1.00 4.20 H new ATOM 0 HB3 LEU A 49 20.800 3.671 20.240 1.00 4.20 H new ATOM 0 HG LEU A 49 20.692 1.193 20.186 1.00 31.10 H new ATOM 0 HD11 LEU A 49 20.520 0.937 17.743 1.00 0.52 H new ATOM 0 HD12 LEU A 49 19.791 2.458 18.313 1.00 0.52 H new ATOM 0 HD13 LEU A 49 21.389 2.476 17.528 1.00 0.52 H new ATOM 0 HD21 LEU A 49 22.423 -0.068 18.929 1.00 52.41 H new ATOM 0 HD22 LEU A 49 23.394 1.418 18.799 1.00 52.41 H new ATOM 0 HD23 LEU A 49 23.087 0.693 20.395 1.00 52.41 H new ATOM 710 N PHE A 50 21.471 5.605 18.465 1.00 3.42 N ATOM 711 CA PHE A 50 20.954 6.371 17.334 1.00 25.51 C ATOM 712 C PHE A 50 22.086 7.097 16.622 1.00 64.45 C ATOM 713 O PHE A 50 22.187 7.046 15.400 1.00 15.22 O ATOM 714 CB PHE A 50 19.890 7.377 17.796 1.00 52.14 C ATOM 715 CG PHE A 50 19.476 8.381 16.737 1.00 40.34 C ATOM 716 CD1 PHE A 50 18.731 7.993 15.628 1.00 40.14 C ATOM 717 CD2 PHE A 50 19.816 9.722 16.864 1.00 31.01 C ATOM 718 CE1 PHE A 50 18.338 8.914 14.679 1.00 11.20 C ATOM 719 CE2 PHE A 50 19.426 10.644 15.912 1.00 34.34 C ATOM 720 CZ PHE A 50 18.685 10.238 14.819 1.00 61.21 C ATOM 0 H PHE A 50 21.114 5.902 19.373 1.00 3.42 H new ATOM 0 HA PHE A 50 20.489 5.674 16.637 1.00 25.51 H new ATOM 0 HB2 PHE A 50 19.007 6.829 18.124 1.00 52.14 H new ATOM 0 HB3 PHE A 50 20.270 7.917 18.663 1.00 52.14 H new ATOM 0 HD1 PHE A 50 18.456 6.955 15.508 1.00 40.14 H new ATOM 0 HD2 PHE A 50 20.392 10.048 17.717 1.00 31.01 H new ATOM 0 HE1 PHE A 50 17.758 8.596 13.826 1.00 11.20 H new ATOM 0 HE2 PHE A 50 19.701 11.683 16.022 1.00 34.34 H new ATOM 0 HZ PHE A 50 18.379 10.959 14.075 1.00 61.21 H new ATOM 730 N ALA A 51 22.932 7.772 17.395 1.00 33.43 N ATOM 731 CA ALA A 51 24.054 8.525 16.839 1.00 33.33 C ATOM 732 C ALA A 51 24.945 7.647 15.957 1.00 4.13 C ATOM 733 O ALA A 51 25.208 7.979 14.798 1.00 52.03 O ATOM 734 CB ALA A 51 24.873 9.141 17.961 1.00 51.41 C ATOM 0 H ALA A 51 22.862 7.813 18.412 1.00 33.43 H new ATOM 0 HA ALA A 51 23.645 9.316 16.211 1.00 33.33 H new ATOM 0 HB1 ALA A 51 25.707 9.700 17.538 1.00 51.41 H new ATOM 0 HB2 ALA A 51 24.244 9.814 18.544 1.00 51.41 H new ATOM 0 HB3 ALA A 51 25.256 8.351 18.607 1.00 51.41 H new ATOM 740 N ALA A 52 25.393 6.523 16.509 1.00 32.43 N ATOM 741 CA ALA A 52 26.284 5.606 15.800 1.00 41.10 C ATOM 742 C ALA A 52 25.575 4.986 14.601 1.00 30.53 C ATOM 743 O ALA A 52 26.115 4.951 13.493 1.00 13.40 O ATOM 744 CB ALA A 52 26.793 4.521 16.744 1.00 51.43 C ATOM 0 H ALA A 52 25.152 6.222 17.453 1.00 32.43 H new ATOM 0 HA ALA A 52 27.140 6.173 15.433 1.00 41.10 H new ATOM 0 HB1 ALA A 52 27.455 3.847 16.200 1.00 51.43 H new ATOM 0 HB2 ALA A 52 27.340 4.982 17.566 1.00 51.43 H new ATOM 0 HB3 ALA A 52 25.948 3.958 17.141 1.00 51.43 H new ATOM 750 N GLY A 53 24.353 4.511 14.831 1.00 32.23 N ATOM 751 CA GLY A 53 23.556 3.938 13.761 1.00 45.35 C ATOM 752 C GLY A 53 23.325 4.927 12.637 1.00 24.44 C ATOM 753 O GLY A 53 23.359 4.564 11.465 1.00 23.31 O ATOM 0 H GLY A 53 23.900 4.513 15.745 1.00 32.23 H new ATOM 0 HA2 GLY A 53 24.057 3.053 13.369 1.00 45.35 H new ATOM 0 HA3 GLY A 53 22.596 3.610 14.159 1.00 45.35 H new ATOM 757 N TYR A 54 23.113 6.186 13.008 1.00 20.42 N ATOM 758 CA TYR A 54 22.896 7.263 12.047 1.00 1.52 C ATOM 759 C TYR A 54 24.180 7.537 11.265 1.00 10.14 C ATOM 760 O TYR A 54 24.149 7.718 10.050 1.00 3.35 O ATOM 761 CB TYR A 54 22.419 8.526 12.786 1.00 4.31 C ATOM 762 CG TYR A 54 22.123 9.734 11.908 1.00 71.40 C ATOM 763 CD1 TYR A 54 21.854 9.604 10.547 1.00 61.33 C ATOM 764 CD2 TYR A 54 22.101 11.013 12.457 1.00 12.15 C ATOM 765 CE1 TYR A 54 21.575 10.710 9.767 1.00 65.13 C ATOM 766 CE2 TYR A 54 21.824 12.121 11.681 1.00 14.31 C ATOM 767 CZ TYR A 54 21.563 11.965 10.338 1.00 61.32 C ATOM 768 OH TYR A 54 21.279 13.066 9.560 1.00 14.13 O ATOM 0 H TYR A 54 23.087 6.488 13.982 1.00 20.42 H new ATOM 0 HA TYR A 54 22.125 6.966 11.336 1.00 1.52 H new ATOM 0 HB2 TYR A 54 21.518 8.278 13.346 1.00 4.31 H new ATOM 0 HB3 TYR A 54 23.180 8.807 13.514 1.00 4.31 H new ATOM 0 HD1 TYR A 54 21.864 8.623 10.095 1.00 61.33 H new ATOM 0 HD2 TYR A 54 22.304 11.141 13.510 1.00 12.15 H new ATOM 0 HE1 TYR A 54 21.367 10.592 8.714 1.00 65.13 H new ATOM 0 HE2 TYR A 54 21.812 13.105 12.125 1.00 14.31 H new ATOM 0 HH TYR A 54 21.771 13.842 9.900 1.00 14.13 H new ATOM 778 N SER A 55 25.308 7.541 11.969 1.00 11.10 N ATOM 779 CA SER A 55 26.606 7.768 11.340 1.00 22.53 C ATOM 780 C SER A 55 26.896 6.670 10.316 1.00 50.31 C ATOM 781 O SER A 55 27.195 6.947 9.151 1.00 23.31 O ATOM 782 CB SER A 55 27.705 7.814 12.407 1.00 0.44 C ATOM 783 OG SER A 55 27.463 8.856 13.337 1.00 35.10 O ATOM 0 H SER A 55 25.350 7.389 12.977 1.00 11.10 H new ATOM 0 HA SER A 55 26.586 8.726 10.820 1.00 22.53 H new ATOM 0 HB2 SER A 55 27.751 6.858 12.929 1.00 0.44 H new ATOM 0 HB3 SER A 55 28.674 7.964 11.931 1.00 0.44 H new ATOM 0 HG SER A 55 26.686 8.628 13.889 1.00 35.10 H new ATOM 789 N ALA A 56 26.780 5.423 10.758 1.00 25.24 N ATOM 790 CA ALA A 56 26.982 4.272 9.885 1.00 63.14 C ATOM 791 C ALA A 56 25.974 4.286 8.735 1.00 34.41 C ATOM 792 O ALA A 56 26.327 4.029 7.581 1.00 72.41 O ATOM 793 CB ALA A 56 26.870 2.981 10.685 1.00 2.41 C ATOM 0 H ALA A 56 26.546 5.182 11.721 1.00 25.24 H new ATOM 0 HA ALA A 56 27.983 4.329 9.458 1.00 63.14 H new ATOM 0 HB1 ALA A 56 27.022 2.128 10.023 1.00 2.41 H new ATOM 0 HB2 ALA A 56 27.627 2.972 11.469 1.00 2.41 H new ATOM 0 HB3 ALA A 56 25.880 2.917 11.136 1.00 2.41 H new ATOM 799 N CYS A 57 24.723 4.607 9.058 1.00 43.11 N ATOM 800 CA CYS A 57 23.661 4.694 8.060 1.00 65.50 C ATOM 801 C CYS A 57 23.983 5.780 7.040 1.00 1.30 C ATOM 802 O CYS A 57 23.684 5.638 5.858 1.00 31.43 O ATOM 803 CB CYS A 57 22.307 4.979 8.718 1.00 74.40 C ATOM 804 SG CYS A 57 20.920 5.049 7.558 1.00 3.24 S ATOM 0 H CYS A 57 24.419 4.812 10.010 1.00 43.11 H new ATOM 0 HA CYS A 57 23.598 3.732 7.551 1.00 65.50 H new ATOM 0 HB2 CYS A 57 22.107 4.207 9.461 1.00 74.40 H new ATOM 0 HB3 CYS A 57 22.368 5.927 9.252 1.00 74.40 H new ATOM 0 HG CYS A 57 19.822 5.292 8.209 1.00 3.24 H new ATOM 810 N PHE A 58 24.588 6.868 7.512 1.00 12.51 N ATOM 811 CA PHE A 58 24.942 7.990 6.651 1.00 55.51 C ATOM 812 C PHE A 58 26.029 7.561 5.667 1.00 60.31 C ATOM 813 O PHE A 58 26.048 7.995 4.516 1.00 54.45 O ATOM 814 CB PHE A 58 25.413 9.186 7.499 1.00 64.12 C ATOM 815 CG PHE A 58 25.353 10.512 6.780 1.00 32.51 C ATOM 816 CD1 PHE A 58 26.468 11.026 6.131 1.00 53.31 C ATOM 817 CD2 PHE A 58 24.174 11.245 6.758 1.00 40.52 C ATOM 818 CE1 PHE A 58 26.406 12.242 5.476 1.00 60.42 C ATOM 819 CE2 PHE A 58 24.107 12.460 6.105 1.00 51.42 C ATOM 820 CZ PHE A 58 25.224 12.960 5.463 1.00 5.31 C ATOM 0 H PHE A 58 24.844 6.995 8.491 1.00 12.51 H new ATOM 0 HA PHE A 58 24.063 8.301 6.087 1.00 55.51 H new ATOM 0 HB2 PHE A 58 24.800 9.244 8.398 1.00 64.12 H new ATOM 0 HB3 PHE A 58 26.438 9.007 7.823 1.00 64.12 H new ATOM 0 HD1 PHE A 58 27.394 10.470 6.138 1.00 53.31 H new ATOM 0 HD2 PHE A 58 23.298 10.860 7.258 1.00 40.52 H new ATOM 0 HE1 PHE A 58 27.280 12.631 4.975 1.00 60.42 H new ATOM 0 HE2 PHE A 58 23.183 13.019 6.096 1.00 51.42 H new ATOM 0 HZ PHE A 58 25.174 13.910 4.952 1.00 5.31 H new ATOM 830 N LEU A 59 26.922 6.687 6.129 1.00 64.51 N ATOM 831 CA LEU A 59 27.977 6.132 5.281 1.00 63.33 C ATOM 832 C LEU A 59 27.388 5.161 4.255 1.00 14.15 C ATOM 833 O LEU A 59 27.870 5.062 3.123 1.00 3.51 O ATOM 834 CB LEU A 59 29.037 5.424 6.138 1.00 74.12 C ATOM 835 CG LEU A 59 29.823 6.341 7.092 1.00 31.41 C ATOM 836 CD1 LEU A 59 30.775 5.528 7.966 1.00 61.22 C ATOM 837 CD2 LEU A 59 30.588 7.407 6.308 1.00 2.33 C ATOM 0 H LEU A 59 26.936 6.346 7.090 1.00 64.51 H new ATOM 0 HA LEU A 59 28.454 6.953 4.745 1.00 63.33 H new ATOM 0 HB2 LEU A 59 28.547 4.648 6.726 1.00 74.12 H new ATOM 0 HB3 LEU A 59 29.743 4.924 5.475 1.00 74.12 H new ATOM 0 HG LEU A 59 29.109 6.843 7.745 1.00 31.41 H new ATOM 0 HD11 LEU A 59 31.319 6.198 8.632 1.00 61.22 H new ATOM 0 HD12 LEU A 59 30.204 4.813 8.558 1.00 61.22 H new ATOM 0 HD13 LEU A 59 31.482 4.992 7.333 1.00 61.22 H new ATOM 0 HD21 LEU A 59 31.137 8.045 7.001 1.00 2.33 H new ATOM 0 HD22 LEU A 59 31.289 6.925 5.626 1.00 2.33 H new ATOM 0 HD23 LEU A 59 29.885 8.013 5.737 1.00 2.33 H new ATOM 849 N SER A 60 26.349 4.438 4.662 1.00 34.05 N ATOM 850 CA SER A 60 25.633 3.543 3.760 1.00 74.40 C ATOM 851 C SER A 60 24.873 4.369 2.715 1.00 42.34 C ATOM 852 O SER A 60 24.924 4.082 1.514 1.00 41.15 O ATOM 853 CB SER A 60 24.672 2.646 4.558 1.00 52.34 C ATOM 854 OG SER A 60 24.021 1.704 3.721 1.00 74.20 O ATOM 0 H SER A 60 25.983 4.455 5.614 1.00 34.05 H new ATOM 0 HA SER A 60 26.345 2.899 3.244 1.00 74.40 H new ATOM 0 HB2 SER A 60 25.225 2.121 5.336 1.00 52.34 H new ATOM 0 HB3 SER A 60 23.927 3.265 5.059 1.00 52.34 H new ATOM 0 HG SER A 60 24.258 0.796 4.004 1.00 74.20 H new ATOM 860 N ALA A 61 24.210 5.425 3.186 1.00 5.22 N ATOM 861 CA ALA A 61 23.471 6.336 2.318 1.00 61.10 C ATOM 862 C ALA A 61 24.411 6.974 1.305 1.00 23.52 C ATOM 863 O ALA A 61 24.148 6.951 0.111 1.00 64.15 O ATOM 864 CB ALA A 61 22.766 7.407 3.148 1.00 23.00 C ATOM 0 H ALA A 61 24.171 5.671 4.175 1.00 5.22 H new ATOM 0 HA ALA A 61 22.713 5.769 1.777 1.00 61.10 H new ATOM 0 HB1 ALA A 61 22.219 8.079 2.486 1.00 23.00 H new ATOM 0 HB2 ALA A 61 22.070 6.932 3.839 1.00 23.00 H new ATOM 0 HB3 ALA A 61 23.505 7.976 3.712 1.00 23.00 H new ATOM 870 N MET A 62 25.521 7.523 1.796 1.00 1.42 N ATOM 871 CA MET A 62 26.539 8.127 0.933 1.00 22.23 C ATOM 872 C MET A 62 27.085 7.108 -0.063 1.00 52.25 C ATOM 873 O MET A 62 27.453 7.462 -1.185 1.00 52.11 O ATOM 874 CB MET A 62 27.688 8.718 1.772 1.00 12.31 C ATOM 875 CG MET A 62 27.401 10.111 2.335 1.00 13.45 C ATOM 876 SD MET A 62 28.179 11.437 1.378 1.00 13.34 S ATOM 877 CE MET A 62 27.519 11.165 -0.268 1.00 61.32 C ATOM 0 H MET A 62 25.740 7.563 2.791 1.00 1.42 H new ATOM 0 HA MET A 62 26.065 8.935 0.375 1.00 22.23 H new ATOM 0 HB2 MET A 62 27.904 8.042 2.599 1.00 12.31 H new ATOM 0 HB3 MET A 62 28.586 8.765 1.156 1.00 12.31 H new ATOM 0 HG2 MET A 62 26.323 10.272 2.359 1.00 13.45 H new ATOM 0 HG3 MET A 62 27.753 10.160 3.365 1.00 13.45 H new ATOM 0 HE1 MET A 62 27.935 11.904 -0.953 1.00 61.32 H new ATOM 0 HE2 MET A 62 27.787 10.164 -0.607 1.00 61.32 H new ATOM 0 HE3 MET A 62 26.434 11.261 -0.245 1.00 61.32 H new ATOM 887 N LYS A 63 27.133 5.844 0.350 1.00 50.31 N ATOM 888 CA LYS A 63 27.594 4.771 -0.525 1.00 32.21 C ATOM 889 C LYS A 63 26.630 4.610 -1.699 1.00 55.33 C ATOM 890 O LYS A 63 27.047 4.573 -2.861 1.00 31.21 O ATOM 891 CB LYS A 63 27.712 3.448 0.248 1.00 32.54 C ATOM 892 CG LYS A 63 28.344 2.314 -0.559 1.00 62.32 C ATOM 893 CD LYS A 63 28.354 0.978 0.191 1.00 52.53 C ATOM 894 CE LYS A 63 29.167 1.025 1.485 1.00 52.13 C ATOM 895 NZ LYS A 63 28.436 1.713 2.587 1.00 51.23 N1+ ATOM 0 H LYS A 63 26.859 5.539 1.284 1.00 50.31 H new ATOM 0 HA LYS A 63 28.582 5.033 -0.904 1.00 32.21 H new ATOM 0 HB2 LYS A 63 28.305 3.615 1.147 1.00 32.54 H new ATOM 0 HB3 LYS A 63 26.719 3.139 0.574 1.00 32.54 H new ATOM 0 HG2 LYS A 63 27.799 2.194 -1.495 1.00 62.32 H new ATOM 0 HG3 LYS A 63 29.367 2.586 -0.818 1.00 62.32 H new ATOM 0 HD2 LYS A 63 27.329 0.690 0.423 1.00 52.53 H new ATOM 0 HD3 LYS A 63 28.762 0.205 -0.460 1.00 52.53 H new ATOM 0 HE2 LYS A 63 29.413 0.009 1.794 1.00 52.13 H new ATOM 0 HE3 LYS A 63 30.110 1.540 1.301 1.00 52.13 H new ATOM 0 HZ1 LYS A 63 28.836 1.424 3.502 1.00 51.23 H new ATOM 0 HZ2 LYS A 63 28.532 2.743 2.477 1.00 51.23 H new ATOM 0 HZ3 LYS A 63 27.430 1.453 2.551 1.00 51.23 H new ATOM 909 N PHE A 64 25.338 4.528 -1.382 1.00 54.13 N ATOM 910 CA PHE A 64 24.299 4.409 -2.405 1.00 15.41 C ATOM 911 C PHE A 64 24.254 5.664 -3.280 1.00 43.31 C ATOM 912 O PHE A 64 24.155 5.575 -4.504 1.00 31.42 O ATOM 913 CB PHE A 64 22.927 4.162 -1.761 1.00 54.23 C ATOM 914 CG PHE A 64 21.801 4.093 -2.765 1.00 22.52 C ATOM 915 CD1 PHE A 64 21.676 3.000 -3.610 1.00 70.34 C ATOM 916 CD2 PHE A 64 20.878 5.126 -2.873 1.00 44.41 C ATOM 917 CE1 PHE A 64 20.655 2.938 -4.540 1.00 70.35 C ATOM 918 CE2 PHE A 64 19.855 5.067 -3.800 1.00 31.33 C ATOM 919 CZ PHE A 64 19.746 3.972 -4.636 1.00 62.32 C ATOM 0 H PHE A 64 24.986 4.542 -0.425 1.00 54.13 H new ATOM 0 HA PHE A 64 24.544 3.555 -3.036 1.00 15.41 H new ATOM 0 HB2 PHE A 64 22.960 3.229 -1.198 1.00 54.23 H new ATOM 0 HB3 PHE A 64 22.720 4.959 -1.047 1.00 54.23 H new ATOM 0 HD1 PHE A 64 22.385 2.188 -3.541 1.00 70.34 H new ATOM 0 HD2 PHE A 64 20.961 5.986 -2.224 1.00 44.41 H new ATOM 0 HE1 PHE A 64 20.569 2.081 -5.191 1.00 70.35 H new ATOM 0 HE2 PHE A 64 19.142 5.875 -3.871 1.00 31.33 H new ATOM 0 HZ PHE A 64 18.950 3.925 -5.364 1.00 62.32 H new ATOM 929 N VAL A 65 24.333 6.828 -2.640 1.00 22.12 N ATOM 930 CA VAL A 65 24.355 8.104 -3.348 1.00 1.13 C ATOM 931 C VAL A 65 25.478 8.114 -4.378 1.00 2.04 C ATOM 932 O VAL A 65 25.260 8.428 -5.552 1.00 1.42 O ATOM 933 CB VAL A 65 24.534 9.297 -2.372 1.00 51.41 C ATOM 934 CG1 VAL A 65 24.800 10.592 -3.136 1.00 35.23 C ATOM 935 CG2 VAL A 65 23.306 9.448 -1.472 1.00 41.32 C ATOM 0 H VAL A 65 24.383 6.913 -1.625 1.00 22.12 H new ATOM 0 HA VAL A 65 23.395 8.217 -3.851 1.00 1.13 H new ATOM 0 HB VAL A 65 25.399 9.090 -1.742 1.00 51.41 H new ATOM 0 HG11 VAL A 65 24.922 11.413 -2.429 1.00 35.23 H new ATOM 0 HG12 VAL A 65 25.709 10.485 -3.728 1.00 35.23 H new ATOM 0 HG13 VAL A 65 23.959 10.804 -3.797 1.00 35.23 H new ATOM 0 HG21 VAL A 65 23.452 10.290 -0.795 1.00 41.32 H new ATOM 0 HG22 VAL A 65 22.424 9.626 -2.087 1.00 41.32 H new ATOM 0 HG23 VAL A 65 23.166 8.536 -0.891 1.00 41.32 H new ATOM 945 N ALA A 66 26.672 7.738 -3.939 1.00 10.53 N ATOM 946 CA ALA A 66 27.817 7.628 -4.831 1.00 34.24 C ATOM 947 C ALA A 66 27.491 6.677 -5.979 1.00 52.01 C ATOM 948 O ALA A 66 27.923 6.876 -7.116 1.00 55.45 O ATOM 949 CB ALA A 66 29.042 7.149 -4.060 1.00 2.15 C ATOM 0 H ALA A 66 26.872 7.503 -2.967 1.00 10.53 H new ATOM 0 HA ALA A 66 28.041 8.610 -5.248 1.00 34.24 H new ATOM 0 HB1 ALA A 66 29.891 7.071 -4.739 1.00 2.15 H new ATOM 0 HB2 ALA A 66 29.275 7.861 -3.268 1.00 2.15 H new ATOM 0 HB3 ALA A 66 28.837 6.172 -3.622 1.00 2.15 H new ATOM 955 N GLY A 67 26.672 5.678 -5.671 1.00 41.30 N ATOM 956 CA GLY A 67 26.306 4.666 -6.647 1.00 41.44 C ATOM 957 C GLY A 67 25.364 5.197 -7.712 1.00 65.01 C ATOM 958 O GLY A 67 25.384 4.727 -8.852 1.00 24.21 O ATOM 0 H GLY A 67 26.250 5.550 -4.751 1.00 41.30 H new ATOM 0 HA2 GLY A 67 27.208 4.283 -7.123 1.00 41.44 H new ATOM 0 HA3 GLY A 67 25.834 3.827 -6.136 1.00 41.44 H new ATOM 962 N GLN A 68 24.549 6.187 -7.350 1.00 2.22 N ATOM 963 CA GLN A 68 23.586 6.779 -8.280 1.00 3.22 C ATOM 964 C GLN A 68 24.147 8.076 -8.850 1.00 13.50 C ATOM 965 O GLN A 68 23.586 8.663 -9.776 1.00 73.33 O ATOM 966 CB GLN A 68 22.234 7.031 -7.590 1.00 70.02 C ATOM 967 CG GLN A 68 22.336 7.847 -6.306 1.00 23.14 C ATOM 968 CD GLN A 68 20.984 8.249 -5.735 1.00 11.52 C ATOM 969 OE1 GLN A 68 20.820 8.361 -4.521 1.00 54.51 O ATOM 970 NE2 GLN A 68 20.015 8.500 -6.602 1.00 55.13 N ATOM 0 H GLN A 68 24.536 6.598 -6.416 1.00 2.22 H new ATOM 0 HA GLN A 68 23.417 6.077 -9.096 1.00 3.22 H new ATOM 0 HB2 GLN A 68 21.573 7.548 -8.286 1.00 70.02 H new ATOM 0 HB3 GLN A 68 21.769 6.072 -7.363 1.00 70.02 H new ATOM 0 HG2 GLN A 68 22.880 7.269 -5.559 1.00 23.14 H new ATOM 0 HG3 GLN A 68 22.921 8.746 -6.501 1.00 23.14 H new ATOM 0 HE21 GLN A 68 20.186 8.397 -7.602 1.00 55.13 H new ATOM 0 HE22 GLN A 68 19.097 8.797 -6.270 1.00 55.13 H new ATOM 979 N ASN A 69 25.258 8.516 -8.274 1.00 45.10 N ATOM 980 CA ASN A 69 25.983 9.689 -8.758 1.00 61.12 C ATOM 981 C ASN A 69 27.223 9.256 -9.534 1.00 41.24 C ATOM 982 O ASN A 69 28.022 10.082 -9.981 1.00 42.44 O ATOM 983 CB ASN A 69 26.354 10.606 -7.587 1.00 43.31 C ATOM 984 CG ASN A 69 25.199 11.499 -7.157 1.00 21.20 C ATOM 985 OD1 ASN A 69 25.053 12.625 -7.636 1.00 73.01 O ATOM 986 ND2 ASN A 69 24.361 11.002 -6.261 1.00 73.35 N ATOM 0 H ASN A 69 25.683 8.073 -7.460 1.00 45.10 H new ATOM 0 HA ASN A 69 25.339 10.252 -9.434 1.00 61.12 H new ATOM 0 HB2 ASN A 69 26.673 9.998 -6.741 1.00 43.31 H new ATOM 0 HB3 ASN A 69 27.203 11.227 -7.871 1.00 43.31 H new ATOM 0 HD21 ASN A 69 23.564 11.555 -5.946 1.00 73.35 H new ATOM 0 HD22 ASN A 69 24.512 10.066 -5.885 1.00 73.35 H new ATOM 993 N LYS A 70 27.366 7.938 -9.672 1.00 63.25 N ATOM 994 CA LYS A 70 28.374 7.314 -10.535 1.00 32.31 C ATOM 995 C LYS A 70 29.789 7.616 -10.048 1.00 12.34 C ATOM 996 O LYS A 70 30.769 7.464 -10.784 1.00 70.50 O ATOM 997 CB LYS A 70 28.200 7.759 -12.002 1.00 4.35 C ATOM 998 CG LYS A 70 26.744 7.908 -12.460 1.00 13.20 C ATOM 999 CD LYS A 70 25.844 6.782 -11.952 1.00 32.43 C ATOM 1000 CE LYS A 70 24.436 6.887 -12.528 1.00 4.32 C ATOM 1001 NZ LYS A 70 24.427 6.771 -14.011 1.00 52.12 N1+ ATOM 0 H LYS A 70 26.778 7.263 -9.182 1.00 63.25 H new ATOM 0 HA LYS A 70 28.224 6.236 -10.484 1.00 32.31 H new ATOM 0 HB2 LYS A 70 28.709 8.713 -12.141 1.00 4.35 H new ATOM 0 HB3 LYS A 70 28.697 7.035 -12.648 1.00 4.35 H new ATOM 0 HG2 LYS A 70 26.354 8.864 -12.110 1.00 13.20 H new ATOM 0 HG3 LYS A 70 26.711 7.930 -13.549 1.00 13.20 H new ATOM 0 HD2 LYS A 70 26.277 5.819 -12.222 1.00 32.43 H new ATOM 0 HD3 LYS A 70 25.796 6.816 -10.864 1.00 32.43 H new ATOM 0 HE2 LYS A 70 23.811 6.104 -12.100 1.00 4.32 H new ATOM 0 HE3 LYS A 70 23.996 7.841 -12.237 1.00 4.32 H new ATOM 0 HZ1 LYS A 70 23.459 6.576 -14.338 1.00 52.12 H new ATOM 0 HZ2 LYS A 70 24.762 7.662 -14.431 1.00 52.12 H new ATOM 0 HZ3 LYS A 70 25.054 5.994 -14.302 1.00 52.12 H new ATOM 1015 N GLN A 71 29.878 7.999 -8.787 1.00 41.25 N ATOM 1016 CA GLN A 71 31.147 8.345 -8.156 1.00 41.44 C ATOM 1017 C GLN A 71 31.521 7.290 -7.120 1.00 11.15 C ATOM 1018 O GLN A 71 30.703 6.439 -6.765 1.00 3.32 O ATOM 1019 CB GLN A 71 31.069 9.732 -7.497 1.00 65.11 C ATOM 1020 CG GLN A 71 29.832 9.919 -6.631 1.00 11.32 C ATOM 1021 CD GLN A 71 30.003 10.961 -5.541 1.00 14.24 C ATOM 1022 OE1 GLN A 71 30.344 10.496 -4.354 1.00 4.02 O flip ATOM 1023 NE2 GLN A 71 29.793 12.154 -5.754 1.00 60.02 N flip ATOM 0 H GLN A 71 29.072 8.080 -8.167 1.00 41.25 H new ATOM 0 HA GLN A 71 31.917 8.376 -8.926 1.00 41.44 H new ATOM 0 HB2 GLN A 71 31.958 9.887 -6.886 1.00 65.11 H new ATOM 0 HB3 GLN A 71 31.079 10.497 -8.274 1.00 65.11 H new ATOM 0 HG2 GLN A 71 28.994 10.205 -7.267 1.00 11.32 H new ATOM 0 HG3 GLN A 71 29.573 8.965 -6.172 1.00 11.32 H new ATOM 0 HE21 GLN A 71 29.532 12.467 -6.689 1.00 60.02 H new ATOM 0 HE22 GLN A 71 29.880 12.831 -4.996 1.00 60.02 H new ATOM 1032 N THR A 72 32.754 7.348 -6.641 1.00 0.13 N ATOM 1033 CA THR A 72 33.234 6.428 -5.617 1.00 33.54 C ATOM 1034 C THR A 72 33.850 7.201 -4.452 1.00 64.51 C ATOM 1035 O THR A 72 34.567 8.186 -4.657 1.00 2.32 O ATOM 1036 CB THR A 72 34.271 5.439 -6.202 1.00 55.21 C ATOM 1037 OG1 THR A 72 35.146 6.132 -7.104 1.00 1.42 O ATOM 1038 CG2 THR A 72 33.587 4.286 -6.932 1.00 71.13 C ATOM 0 H THR A 72 33.448 8.029 -6.948 1.00 0.13 H new ATOM 0 HA THR A 72 32.380 5.857 -5.252 1.00 33.54 H new ATOM 0 HB THR A 72 34.847 5.023 -5.376 1.00 55.21 H new ATOM 0 HG1 THR A 72 35.802 5.503 -7.471 1.00 1.42 H new ATOM 0 HG21 THR A 72 34.342 3.609 -7.331 1.00 71.13 H new ATOM 0 HG22 THR A 72 32.946 3.745 -6.237 1.00 71.13 H new ATOM 0 HG23 THR A 72 32.984 4.680 -7.750 1.00 71.13 H new ATOM 1046 N LEU A 73 33.552 6.759 -3.235 1.00 24.22 N ATOM 1047 CA LEU A 73 34.044 7.409 -2.023 1.00 2.33 C ATOM 1048 C LEU A 73 35.097 6.525 -1.344 1.00 44.11 C ATOM 1049 O LEU A 73 34.980 5.296 -1.367 1.00 52.40 O ATOM 1050 CB LEU A 73 32.867 7.689 -1.073 1.00 54.54 C ATOM 1051 CG LEU A 73 31.820 8.681 -1.609 1.00 53.14 C ATOM 1052 CD1 LEU A 73 30.607 8.746 -0.682 1.00 63.13 C ATOM 1053 CD2 LEU A 73 32.440 10.065 -1.790 1.00 44.41 C ATOM 0 H LEU A 73 32.965 5.943 -3.060 1.00 24.22 H new ATOM 0 HA LEU A 73 34.513 8.358 -2.284 1.00 2.33 H new ATOM 0 HB2 LEU A 73 32.370 6.746 -0.847 1.00 54.54 H new ATOM 0 HB3 LEU A 73 33.262 8.074 -0.133 1.00 54.54 H new ATOM 0 HG LEU A 73 31.480 8.327 -2.582 1.00 53.14 H new ATOM 0 HD11 LEU A 73 29.881 9.454 -1.082 1.00 63.13 H new ATOM 0 HD12 LEU A 73 30.150 7.759 -0.611 1.00 63.13 H new ATOM 0 HD13 LEU A 73 30.923 9.072 0.309 1.00 63.13 H new ATOM 0 HD21 LEU A 73 31.686 10.755 -2.170 1.00 44.41 H new ATOM 0 HD22 LEU A 73 32.811 10.426 -0.831 1.00 44.41 H new ATOM 0 HD23 LEU A 73 33.266 10.004 -2.499 1.00 44.41 H new ATOM 1065 N PRO A 74 36.146 7.137 -0.751 1.00 14.33 N ATOM 1066 CA PRO A 74 37.244 6.399 -0.098 1.00 71.54 C ATOM 1067 C PRO A 74 36.755 5.513 1.049 1.00 22.35 C ATOM 1068 O PRO A 74 36.015 5.967 1.921 1.00 71.04 O ATOM 1069 CB PRO A 74 38.156 7.508 0.446 1.00 0.31 C ATOM 1070 CG PRO A 74 37.812 8.721 -0.353 1.00 75.32 C ATOM 1071 CD PRO A 74 36.347 8.598 -0.669 1.00 21.31 C ATOM 0 HA PRO A 74 37.739 5.722 -0.794 1.00 71.54 H new ATOM 0 HB2 PRO A 74 37.983 7.674 1.509 1.00 0.31 H new ATOM 0 HB3 PRO A 74 39.208 7.245 0.331 1.00 0.31 H new ATOM 0 HG2 PRO A 74 38.016 9.632 0.210 1.00 75.32 H new ATOM 0 HG3 PRO A 74 38.407 8.771 -1.265 1.00 75.32 H new ATOM 0 HD2 PRO A 74 35.728 9.048 0.107 1.00 21.31 H new ATOM 0 HD3 PRO A 74 36.093 9.093 -1.606 1.00 21.31 H new ATOM 1079 N ALA A 75 37.195 4.257 1.056 1.00 74.43 N ATOM 1080 CA ALA A 75 36.768 3.290 2.067 1.00 72.21 C ATOM 1081 C ALA A 75 37.480 3.504 3.403 1.00 34.41 C ATOM 1082 O ALA A 75 37.242 2.776 4.368 1.00 42.34 O ATOM 1083 CB ALA A 75 36.989 1.868 1.561 1.00 2.05 C ATOM 0 H ALA A 75 37.850 3.883 0.370 1.00 74.43 H new ATOM 0 HA ALA A 75 35.703 3.445 2.243 1.00 72.21 H new ATOM 0 HB1 ALA A 75 36.668 1.157 2.322 1.00 2.05 H new ATOM 0 HB2 ALA A 75 36.410 1.712 0.651 1.00 2.05 H new ATOM 0 HB3 ALA A 75 38.047 1.718 1.348 1.00 2.05 H new ATOM 1089 N ASP A 76 38.346 4.505 3.455 1.00 35.21 N ATOM 1090 CA ASP A 76 39.118 4.803 4.661 1.00 24.42 C ATOM 1091 C ASP A 76 38.385 5.806 5.552 1.00 33.35 C ATOM 1092 O ASP A 76 38.867 6.181 6.621 1.00 61.01 O ATOM 1093 CB ASP A 76 40.491 5.348 4.254 1.00 72.44 C ATOM 1094 CG ASP A 76 41.457 5.492 5.424 1.00 23.12 C ATOM 1095 OD1 ASP A 76 41.925 4.455 5.941 1.00 55.31 O ATOM 1096 OD2 ASP A 76 41.771 6.638 5.813 1.00 42.23 O1- ATOM 0 H ASP A 76 38.535 5.131 2.672 1.00 35.21 H new ATOM 0 HA ASP A 76 39.244 3.886 5.237 1.00 24.42 H new ATOM 0 HB2 ASP A 76 40.931 4.685 3.509 1.00 72.44 H new ATOM 0 HB3 ASP A 76 40.361 6.320 3.778 1.00 72.44 H new ATOM 1101 N THR A 77 37.202 6.205 5.115 1.00 11.55 N ATOM 1102 CA THR A 77 36.433 7.256 5.777 1.00 12.43 C ATOM 1103 C THR A 77 35.803 6.771 7.087 1.00 50.31 C ATOM 1104 O THR A 77 35.522 5.579 7.260 1.00 30.02 O ATOM 1105 CB THR A 77 35.333 7.799 4.837 1.00 41.10 C ATOM 1106 OG1 THR A 77 34.603 8.858 5.470 1.00 73.42 O ATOM 1107 CG2 THR A 77 34.365 6.696 4.417 1.00 73.22 C ATOM 0 H THR A 77 36.744 5.812 4.292 1.00 11.55 H new ATOM 0 HA THR A 77 37.131 8.057 6.019 1.00 12.43 H new ATOM 0 HB THR A 77 35.829 8.184 3.946 1.00 41.10 H new ATOM 0 HG1 THR A 77 35.214 9.396 6.016 1.00 73.42 H new ATOM 0 HG21 THR A 77 33.604 7.112 3.756 1.00 73.22 H new ATOM 0 HG22 THR A 77 34.912 5.912 3.893 1.00 73.22 H new ATOM 0 HG23 THR A 77 33.887 6.275 5.302 1.00 73.22 H new ATOM 1115 N THR A 78 35.592 7.712 8.007 1.00 13.54 N ATOM 1116 CA THR A 78 34.991 7.420 9.303 1.00 2.03 C ATOM 1117 C THR A 78 34.148 8.609 9.774 1.00 41.21 C ATOM 1118 O THR A 78 34.447 9.759 9.450 1.00 33.42 O ATOM 1119 CB THR A 78 36.078 7.123 10.367 1.00 65.01 C ATOM 1120 OG1 THR A 78 37.030 6.183 9.849 1.00 41.13 O ATOM 1121 CG2 THR A 78 35.463 6.567 11.650 1.00 52.04 C ATOM 0 H THR A 78 35.833 8.694 7.873 1.00 13.54 H new ATOM 0 HA THR A 78 34.359 6.540 9.185 1.00 2.03 H new ATOM 0 HB THR A 78 36.578 8.062 10.603 1.00 65.01 H new ATOM 0 HG1 THR A 78 37.714 6.002 10.527 1.00 41.13 H new ATOM 0 HG21 THR A 78 36.252 6.369 12.376 1.00 52.04 H new ATOM 0 HG22 THR A 78 34.764 7.294 12.063 1.00 52.04 H new ATOM 0 HG23 THR A 78 34.934 5.640 11.428 1.00 52.04 H new ATOM 1129 N VAL A 79 33.095 8.328 10.530 1.00 13.33 N ATOM 1130 CA VAL A 79 32.268 9.369 11.132 1.00 51.35 C ATOM 1131 C VAL A 79 32.156 9.128 12.630 1.00 40.33 C ATOM 1132 O VAL A 79 31.718 8.061 13.064 1.00 15.54 O ATOM 1133 CB VAL A 79 30.851 9.427 10.503 1.00 73.54 C ATOM 1134 CG1 VAL A 79 29.952 10.410 11.255 1.00 32.33 C ATOM 1135 CG2 VAL A 79 30.943 9.814 9.031 1.00 4.51 C ATOM 0 H VAL A 79 32.790 7.378 10.743 1.00 13.33 H new ATOM 0 HA VAL A 79 32.751 10.327 10.941 1.00 51.35 H new ATOM 0 HB VAL A 79 30.405 8.435 10.582 1.00 73.54 H new ATOM 0 HG11 VAL A 79 28.966 10.429 10.791 1.00 32.33 H new ATOM 0 HG12 VAL A 79 29.858 10.095 12.294 1.00 32.33 H new ATOM 0 HG13 VAL A 79 30.391 11.407 11.216 1.00 32.33 H new ATOM 0 HG21 VAL A 79 29.942 9.851 8.601 1.00 4.51 H new ATOM 0 HG22 VAL A 79 31.413 10.793 8.941 1.00 4.51 H new ATOM 0 HG23 VAL A 79 31.540 9.075 8.497 1.00 4.51 H new ATOM 1145 N THR A 80 32.578 10.108 13.417 1.00 3.21 N ATOM 1146 CA THR A 80 32.557 9.983 14.866 1.00 52.54 C ATOM 1147 C THR A 80 31.410 10.802 15.461 1.00 43.34 C ATOM 1148 O THR A 80 31.418 12.032 15.411 1.00 4.30 O ATOM 1149 CB THR A 80 33.904 10.428 15.479 1.00 61.00 C ATOM 1150 OG1 THR A 80 34.983 9.787 14.779 1.00 41.24 O ATOM 1151 CG2 THR A 80 33.979 10.066 16.958 1.00 20.33 C ATOM 0 H THR A 80 32.939 10.999 13.075 1.00 3.21 H new ATOM 0 HA THR A 80 32.399 8.932 15.109 1.00 52.54 H new ATOM 0 HB THR A 80 33.984 11.511 15.383 1.00 61.00 H new ATOM 0 HG1 THR A 80 35.838 10.070 15.166 1.00 41.24 H new ATOM 0 HG21 THR A 80 34.937 10.391 17.364 1.00 20.33 H new ATOM 0 HG22 THR A 80 33.171 10.562 17.495 1.00 20.33 H new ATOM 0 HG23 THR A 80 33.883 8.986 17.074 1.00 20.33 H new ATOM 1159 N ALA A 81 30.423 10.105 16.008 1.00 63.21 N ATOM 1160 CA ALA A 81 29.253 10.738 16.597 1.00 75.00 C ATOM 1161 C ALA A 81 29.435 10.874 18.105 1.00 14.40 C ATOM 1162 O ALA A 81 29.416 9.881 18.835 1.00 73.21 O ATOM 1163 CB ALA A 81 28.001 9.931 16.275 1.00 42.42 C ATOM 0 H ALA A 81 30.412 9.086 16.055 1.00 63.21 H new ATOM 0 HA ALA A 81 29.137 11.735 16.172 1.00 75.00 H new ATOM 0 HB1 ALA A 81 27.132 10.414 16.721 1.00 42.42 H new ATOM 0 HB2 ALA A 81 27.871 9.877 15.194 1.00 42.42 H new ATOM 0 HB3 ALA A 81 28.103 8.924 16.679 1.00 42.42 H new ATOM 1169 N GLU A 82 29.632 12.101 18.561 1.00 71.31 N ATOM 1170 CA GLU A 82 29.878 12.374 19.975 1.00 72.51 C ATOM 1171 C GLU A 82 28.633 12.986 20.613 1.00 53.13 C ATOM 1172 O GLU A 82 28.294 14.137 20.346 1.00 25.01 O ATOM 1173 CB GLU A 82 31.080 13.318 20.116 1.00 74.00 C ATOM 1174 CG GLU A 82 31.571 13.503 21.547 1.00 3.23 C ATOM 1175 CD GLU A 82 32.804 14.389 21.623 1.00 23.22 C ATOM 1176 OE1 GLU A 82 32.824 15.333 22.438 1.00 3.55 O ATOM 1177 OE2 GLU A 82 33.761 14.153 20.854 1.00 51.44 O1- ATOM 0 H GLU A 82 29.627 12.932 17.970 1.00 71.31 H new ATOM 0 HA GLU A 82 30.104 11.441 20.491 1.00 72.51 H new ATOM 0 HB2 GLU A 82 31.901 12.934 19.510 1.00 74.00 H new ATOM 0 HB3 GLU A 82 30.811 14.292 19.708 1.00 74.00 H new ATOM 0 HG2 GLU A 82 30.774 13.940 22.149 1.00 3.23 H new ATOM 0 HG3 GLU A 82 31.799 12.529 21.980 1.00 3.23 H new ATOM 1184 N VAL A 83 27.948 12.208 21.447 1.00 31.40 N ATOM 1185 CA VAL A 83 26.678 12.639 22.038 1.00 74.25 C ATOM 1186 C VAL A 83 26.843 13.029 23.502 1.00 12.15 C ATOM 1187 O VAL A 83 27.540 12.358 24.264 1.00 3.30 O ATOM 1188 CB VAL A 83 25.583 11.545 21.931 1.00 22.15 C ATOM 1189 CG1 VAL A 83 25.197 11.305 20.479 1.00 60.03 C ATOM 1190 CG2 VAL A 83 26.039 10.245 22.589 1.00 42.03 C ATOM 0 H VAL A 83 28.249 11.275 21.731 1.00 31.40 H new ATOM 0 HA VAL A 83 26.362 13.511 21.465 1.00 74.25 H new ATOM 0 HB VAL A 83 24.702 11.902 22.464 1.00 22.15 H new ATOM 0 HG11 VAL A 83 24.428 10.534 20.430 1.00 60.03 H new ATOM 0 HG12 VAL A 83 24.813 12.229 20.047 1.00 60.03 H new ATOM 0 HG13 VAL A 83 26.073 10.980 19.919 1.00 60.03 H new ATOM 0 HG21 VAL A 83 25.252 9.496 22.499 1.00 42.03 H new ATOM 0 HG22 VAL A 83 26.941 9.884 22.095 1.00 42.03 H new ATOM 0 HG23 VAL A 83 26.250 10.425 23.643 1.00 42.03 H new ATOM 1200 N GLY A 84 26.200 14.123 23.882 1.00 33.12 N ATOM 1201 CA GLY A 84 26.166 14.546 25.262 1.00 23.12 C ATOM 1202 C GLY A 84 24.763 14.928 25.671 1.00 64.22 C ATOM 1203 O GLY A 84 23.953 15.299 24.827 1.00 21.33 O ATOM 0 H GLY A 84 25.692 14.735 23.243 1.00 33.12 H new ATOM 0 HA2 GLY A 84 26.530 13.743 25.902 1.00 23.12 H new ATOM 0 HA3 GLY A 84 26.835 15.395 25.404 1.00 23.12 H new ATOM 1207 N ILE A 85 24.470 14.829 26.954 1.00 23.52 N ATOM 1208 CA ILE A 85 23.154 15.163 27.474 1.00 1.40 C ATOM 1209 C ILE A 85 23.301 15.952 28.766 1.00 61.15 C ATOM 1210 O ILE A 85 24.087 15.581 29.647 1.00 10.52 O ATOM 1211 CB ILE A 85 22.287 13.885 27.699 1.00 52.02 C ATOM 1212 CG1 ILE A 85 20.878 14.226 28.234 1.00 53.33 C ATOM 1213 CG2 ILE A 85 22.996 12.907 28.633 1.00 35.55 C ATOM 1214 CD1 ILE A 85 20.792 14.369 29.743 1.00 71.32 C ATOM 0 H ILE A 85 25.133 14.516 27.664 1.00 23.52 H new ATOM 0 HA ILE A 85 22.637 15.777 26.737 1.00 1.40 H new ATOM 0 HB ILE A 85 22.158 13.408 26.727 1.00 52.02 H new ATOM 0 HG12 ILE A 85 20.545 15.157 27.775 1.00 53.33 H new ATOM 0 HG13 ILE A 85 20.185 13.447 27.916 1.00 53.33 H new ATOM 0 HG21 ILE A 85 22.373 12.024 28.776 1.00 35.55 H new ATOM 0 HG22 ILE A 85 23.950 12.612 28.195 1.00 35.55 H new ATOM 0 HG23 ILE A 85 23.172 13.386 29.596 1.00 35.55 H new ATOM 0 HD11 ILE A 85 19.768 14.608 30.028 1.00 71.32 H new ATOM 0 HD12 ILE A 85 21.091 13.433 30.215 1.00 71.32 H new ATOM 0 HD13 ILE A 85 21.456 15.169 30.071 1.00 71.32 H new ATOM 1226 N GLY A 86 22.560 17.050 28.856 1.00 43.44 N ATOM 1227 CA GLY A 86 22.570 17.881 30.050 1.00 64.20 C ATOM 1228 C GLY A 86 21.243 18.590 30.245 1.00 43.21 C ATOM 1229 O GLY A 86 20.406 18.574 29.341 1.00 31.32 O ATOM 0 H GLY A 86 21.945 17.384 28.115 1.00 43.44 H new ATOM 0 HA2 GLY A 86 22.786 17.264 30.922 1.00 64.20 H new ATOM 0 HA3 GLY A 86 23.370 18.618 29.975 1.00 64.20 H new ATOM 1233 N PRO A 87 21.012 19.227 31.409 1.00 20.43 N ATOM 1234 CA PRO A 87 19.754 19.907 31.701 1.00 73.43 C ATOM 1235 C PRO A 87 19.695 21.269 31.024 1.00 33.24 C ATOM 1236 O PRO A 87 20.539 22.131 31.272 1.00 11.41 O ATOM 1237 CB PRO A 87 19.756 20.058 33.237 1.00 75.13 C ATOM 1238 CG PRO A 87 21.036 19.432 33.713 1.00 24.22 C ATOM 1239 CD PRO A 87 21.954 19.372 32.520 1.00 44.21 C ATOM 0 HA PRO A 87 18.889 19.355 31.334 1.00 73.43 H new ATOM 0 HB2 PRO A 87 19.704 21.108 33.526 1.00 75.13 H new ATOM 0 HB3 PRO A 87 18.891 19.563 33.679 1.00 75.13 H new ATOM 0 HG2 PRO A 87 21.481 20.021 34.515 1.00 24.22 H new ATOM 0 HG3 PRO A 87 20.854 18.434 34.113 1.00 24.22 H new ATOM 0 HD2 PRO A 87 22.558 20.274 32.426 1.00 44.21 H new ATOM 0 HD3 PRO A 87 22.645 18.531 32.580 1.00 44.21 H new ATOM 1247 N ASN A 88 18.707 21.456 30.166 1.00 50.13 N ATOM 1248 CA ASN A 88 18.574 22.702 29.415 1.00 62.23 C ATOM 1249 C ASN A 88 17.831 23.754 30.225 1.00 31.22 C ATOM 1250 O ASN A 88 17.250 23.456 31.276 1.00 11.01 O ATOM 1251 CB ASN A 88 17.867 22.466 28.069 1.00 63.43 C ATOM 1252 CG ASN A 88 16.497 21.820 28.203 1.00 21.32 C ATOM 1253 OD1 ASN A 88 15.803 21.991 29.204 1.00 63.22 O ATOM 1254 ND2 ASN A 88 16.094 21.080 27.183 1.00 22.41 N ATOM 0 H ASN A 88 17.984 20.764 29.969 1.00 50.13 H new ATOM 0 HA ASN A 88 19.579 23.071 29.214 1.00 62.23 H new ATOM 0 HB2 ASN A 88 17.760 23.420 27.553 1.00 63.43 H new ATOM 0 HB3 ASN A 88 18.497 21.834 27.444 1.00 63.43 H new ATOM 0 HD21 ASN A 88 15.180 20.628 27.210 1.00 22.41 H new ATOM 0 HD22 ASN A 88 16.697 20.961 26.369 1.00 22.41 H new ATOM 1261 N GLU A 89 17.861 24.985 29.723 1.00 43.32 N ATOM 1262 CA GLU A 89 17.173 26.111 30.351 1.00 2.23 C ATOM 1263 C GLU A 89 15.683 25.814 30.535 1.00 10.40 C ATOM 1264 O GLU A 89 15.043 26.334 31.454 1.00 74.31 O ATOM 1265 CB GLU A 89 17.356 27.369 29.490 1.00 13.04 C ATOM 1266 CG GLU A 89 16.888 27.185 28.049 1.00 64.14 C ATOM 1267 CD GLU A 89 17.047 28.437 27.206 1.00 35.31 C ATOM 1268 OE1 GLU A 89 18.001 28.508 26.402 1.00 70.11 O ATOM 1269 OE2 GLU A 89 16.214 29.356 27.337 1.00 74.23 O1- ATOM 0 H GLU A 89 18.363 25.231 28.870 1.00 43.32 H new ATOM 0 HA GLU A 89 17.608 26.276 31.337 1.00 2.23 H new ATOM 0 HB2 GLU A 89 16.805 28.194 29.942 1.00 13.04 H new ATOM 0 HB3 GLU A 89 18.409 27.651 29.490 1.00 13.04 H new ATOM 0 HG2 GLU A 89 17.452 26.372 27.591 1.00 64.14 H new ATOM 0 HG3 GLU A 89 15.840 26.885 28.049 1.00 64.14 H new ATOM 1276 N GLU A 90 15.145 24.963 29.665 1.00 62.24 N ATOM 1277 CA GLU A 90 13.720 24.623 29.677 1.00 33.11 C ATOM 1278 C GLU A 90 13.369 23.790 30.914 1.00 41.22 C ATOM 1279 O GLU A 90 12.237 23.824 31.402 1.00 23.51 O ATOM 1280 CB GLU A 90 13.344 23.875 28.388 1.00 62.35 C ATOM 1281 CG GLU A 90 11.903 23.369 28.354 1.00 2.12 C ATOM 1282 CD GLU A 90 11.511 22.762 27.014 1.00 32.41 C ATOM 1283 OE1 GLU A 90 12.027 21.678 26.667 1.00 34.55 O ATOM 1284 OE2 GLU A 90 10.668 23.356 26.305 1.00 15.02 O1- ATOM 0 H GLU A 90 15.679 24.491 28.935 1.00 62.24 H new ATOM 0 HA GLU A 90 13.143 25.547 29.723 1.00 33.11 H new ATOM 0 HB2 GLU A 90 13.505 24.537 27.537 1.00 62.35 H new ATOM 0 HB3 GLU A 90 14.018 23.027 28.264 1.00 62.35 H new ATOM 0 HG2 GLU A 90 11.769 22.622 29.137 1.00 2.12 H new ATOM 0 HG3 GLU A 90 11.229 24.195 28.582 1.00 2.12 H new ATOM 1291 N GLY A 91 14.350 23.056 31.423 1.00 4.53 N ATOM 1292 CA GLY A 91 14.140 22.237 32.608 1.00 50.31 C ATOM 1293 C GLY A 91 14.010 20.766 32.274 1.00 52.42 C ATOM 1294 O GLY A 91 13.536 19.970 33.088 1.00 50.31 O ATOM 0 H GLY A 91 15.293 23.011 31.036 1.00 4.53 H new ATOM 0 HA2 GLY A 91 14.973 22.379 33.297 1.00 50.31 H new ATOM 0 HA3 GLY A 91 13.239 22.571 33.123 1.00 50.31 H new ATOM 1298 N GLY A 92 14.421 20.409 31.065 1.00 31.10 N ATOM 1299 CA GLY A 92 14.419 19.022 30.636 1.00 44.24 C ATOM 1300 C GLY A 92 15.805 18.572 30.228 1.00 74.12 C ATOM 1301 O GLY A 92 16.792 19.256 30.518 1.00 42.22 O ATOM 0 H GLY A 92 14.761 21.066 30.363 1.00 31.10 H new ATOM 0 HA2 GLY A 92 14.052 18.389 31.444 1.00 44.24 H new ATOM 0 HA3 GLY A 92 13.733 18.899 29.798 1.00 44.24 H new ATOM 1305 N PHE A 93 15.889 17.439 29.543 1.00 65.13 N ATOM 1306 CA PHE A 93 17.171 16.906 29.096 1.00 72.25 C ATOM 1307 C PHE A 93 17.415 17.283 27.639 1.00 30.35 C ATOM 1308 O PHE A 93 16.553 17.081 26.779 1.00 35.35 O ATOM 1309 CB PHE A 93 17.212 15.382 29.261 1.00 70.53 C ATOM 1310 CG PHE A 93 17.076 14.924 30.693 1.00 33.33 C ATOM 1311 CD1 PHE A 93 16.069 14.043 31.064 1.00 41.34 C ATOM 1312 CD2 PHE A 93 17.955 15.377 31.669 1.00 64.21 C ATOM 1313 CE1 PHE A 93 15.946 13.621 32.374 1.00 2.11 C ATOM 1314 CE2 PHE A 93 17.833 14.958 32.980 1.00 3.04 C ATOM 1315 CZ PHE A 93 16.827 14.080 33.332 1.00 12.34 C ATOM 0 H PHE A 93 15.083 16.870 29.284 1.00 65.13 H new ATOM 0 HA PHE A 93 17.959 17.340 29.712 1.00 72.25 H new ATOM 0 HB2 PHE A 93 16.411 14.939 28.669 1.00 70.53 H new ATOM 0 HB3 PHE A 93 18.152 15.006 28.856 1.00 70.53 H new ATOM 0 HD1 PHE A 93 15.374 13.683 30.320 1.00 41.34 H new ATOM 0 HD2 PHE A 93 18.743 16.065 31.400 1.00 64.21 H new ATOM 0 HE1 PHE A 93 15.161 12.932 32.648 1.00 2.11 H new ATOM 0 HE2 PHE A 93 18.524 15.317 33.729 1.00 3.04 H new ATOM 0 HZ PHE A 93 16.730 13.753 34.357 1.00 12.34 H new ATOM 1325 N ALA A 94 18.590 17.840 27.375 1.00 73.43 N ATOM 1326 CA ALA A 94 18.960 18.286 26.039 1.00 60.33 C ATOM 1327 C ALA A 94 20.155 17.496 25.533 1.00 65.32 C ATOM 1328 O ALA A 94 21.130 17.289 26.268 1.00 32.10 O ATOM 1329 CB ALA A 94 19.273 19.776 26.042 1.00 64.21 C ATOM 0 H ALA A 94 19.311 17.995 28.079 1.00 73.43 H new ATOM 0 HA ALA A 94 18.117 18.112 25.370 1.00 60.33 H new ATOM 0 HB1 ALA A 94 19.548 20.092 25.036 1.00 64.21 H new ATOM 0 HB2 ALA A 94 18.394 20.332 26.370 1.00 64.21 H new ATOM 0 HB3 ALA A 94 20.101 19.972 26.723 1.00 64.21 H new ATOM 1335 N LEU A 95 20.061 17.050 24.283 1.00 31.23 N ATOM 1336 CA LEU A 95 21.111 16.264 23.648 1.00 75.45 C ATOM 1337 C LEU A 95 21.949 17.134 22.724 1.00 41.42 C ATOM 1338 O LEU A 95 21.434 17.735 21.779 1.00 2.34 O ATOM 1339 CB LEU A 95 20.509 15.087 22.861 1.00 51.22 C ATOM 1340 CG LEU A 95 20.189 13.832 23.689 1.00 42.15 C ATOM 1341 CD1 LEU A 95 21.475 13.185 24.194 1.00 64.34 C ATOM 1342 CD2 LEU A 95 19.264 14.166 24.856 1.00 71.23 C ATOM 0 H LEU A 95 19.254 17.224 23.683 1.00 31.23 H new ATOM 0 HA LEU A 95 21.755 15.866 24.432 1.00 75.45 H new ATOM 0 HB2 LEU A 95 19.592 15.426 22.379 1.00 51.22 H new ATOM 0 HB3 LEU A 95 21.203 14.810 22.068 1.00 51.22 H new ATOM 0 HG LEU A 95 19.672 13.123 23.042 1.00 42.15 H new ATOM 0 HD11 LEU A 95 21.231 12.298 24.778 1.00 64.34 H new ATOM 0 HD12 LEU A 95 22.097 12.901 23.345 1.00 64.34 H new ATOM 0 HD13 LEU A 95 22.017 13.894 24.820 1.00 64.34 H new ATOM 0 HD21 LEU A 95 19.054 13.260 25.425 1.00 71.23 H new ATOM 0 HD22 LEU A 95 19.746 14.898 25.504 1.00 71.23 H new ATOM 0 HD23 LEU A 95 18.330 14.579 24.474 1.00 71.23 H new ATOM 1354 N ASP A 96 23.236 17.197 23.019 1.00 51.32 N ATOM 1355 CA ASP A 96 24.204 17.900 22.188 1.00 15.24 C ATOM 1356 C ASP A 96 25.103 16.868 21.519 1.00 33.43 C ATOM 1357 O ASP A 96 25.898 16.207 22.189 1.00 1.11 O ATOM 1358 CB ASP A 96 25.049 18.843 23.057 1.00 62.10 C ATOM 1359 CG ASP A 96 25.846 19.855 22.239 1.00 42.14 C ATOM 1360 OD1 ASP A 96 26.993 19.545 21.841 1.00 0.44 O ATOM 1361 OD2 ASP A 96 25.329 20.974 22.000 1.00 11.32 O1- ATOM 0 H ASP A 96 23.643 16.760 23.846 1.00 51.32 H new ATOM 0 HA ASP A 96 23.688 18.492 21.432 1.00 15.24 H new ATOM 0 HB2 ASP A 96 24.395 19.376 23.747 1.00 62.10 H new ATOM 0 HB3 ASP A 96 25.736 18.252 23.662 1.00 62.10 H new ATOM 1366 N VAL A 97 24.968 16.708 20.210 1.00 3.45 N ATOM 1367 CA VAL A 97 25.714 15.683 19.487 1.00 33.41 C ATOM 1368 C VAL A 97 26.609 16.292 18.410 1.00 35.23 C ATOM 1369 O VAL A 97 26.136 16.846 17.421 1.00 5.33 O ATOM 1370 CB VAL A 97 24.770 14.614 18.868 1.00 12.11 C ATOM 1371 CG1 VAL A 97 23.587 15.264 18.159 1.00 31.40 C ATOM 1372 CG2 VAL A 97 25.536 13.691 17.916 1.00 41.42 C ATOM 0 H VAL A 97 24.351 17.273 19.626 1.00 3.45 H new ATOM 0 HA VAL A 97 26.353 15.186 20.217 1.00 33.41 H new ATOM 0 HB VAL A 97 24.377 14.008 19.684 1.00 12.11 H new ATOM 0 HG11 VAL A 97 22.946 14.490 17.737 1.00 31.40 H new ATOM 0 HG12 VAL A 97 23.017 15.858 18.873 1.00 31.40 H new ATOM 0 HG13 VAL A 97 23.952 15.909 17.360 1.00 31.40 H new ATOM 0 HG21 VAL A 97 24.853 12.953 17.497 1.00 41.42 H new ATOM 0 HG22 VAL A 97 25.972 14.281 17.110 1.00 41.42 H new ATOM 0 HG23 VAL A 97 26.329 13.182 18.463 1.00 41.42 H new ATOM 1382 N GLU A 98 27.909 16.193 18.632 1.00 23.12 N ATOM 1383 CA GLU A 98 28.908 16.649 17.680 1.00 44.32 C ATOM 1384 C GLU A 98 29.168 15.545 16.657 1.00 21.31 C ATOM 1385 O GLU A 98 29.797 14.534 16.970 1.00 34.12 O ATOM 1386 CB GLU A 98 30.210 17.027 18.410 1.00 13.10 C ATOM 1387 CG GLU A 98 30.042 18.156 19.426 1.00 35.31 C ATOM 1388 CD GLU A 98 31.342 18.549 20.117 1.00 11.53 C ATOM 1389 OE1 GLU A 98 32.341 18.818 19.410 1.00 51.52 O ATOM 1390 OE2 GLU A 98 31.366 18.630 21.367 1.00 21.24 O1- ATOM 0 H GLU A 98 28.303 15.792 19.483 1.00 23.12 H new ATOM 0 HA GLU A 98 28.540 17.536 17.165 1.00 44.32 H new ATOM 0 HB2 GLU A 98 30.598 16.146 18.921 1.00 13.10 H new ATOM 0 HB3 GLU A 98 30.956 17.322 17.673 1.00 13.10 H new ATOM 0 HG2 GLU A 98 29.629 19.030 18.922 1.00 35.31 H new ATOM 0 HG3 GLU A 98 29.317 17.851 20.180 1.00 35.31 H new ATOM 1397 N LEU A 99 28.661 15.730 15.446 1.00 4.53 N ATOM 1398 CA LEU A 99 28.794 14.728 14.397 1.00 32.31 C ATOM 1399 C LEU A 99 30.023 15.036 13.550 1.00 52.01 C ATOM 1400 O LEU A 99 30.042 16.021 12.804 1.00 21.43 O ATOM 1401 CB LEU A 99 27.533 14.691 13.525 1.00 42.25 C ATOM 1402 CG LEU A 99 27.437 13.488 12.573 1.00 64.41 C ATOM 1403 CD1 LEU A 99 27.433 12.183 13.370 1.00 73.33 C ATOM 1404 CD2 LEU A 99 26.191 13.593 11.693 1.00 23.33 C ATOM 0 H LEU A 99 28.152 16.568 15.165 1.00 4.53 H new ATOM 0 HA LEU A 99 28.915 13.747 14.855 1.00 32.31 H new ATOM 0 HB2 LEU A 99 26.659 14.691 14.176 1.00 42.25 H new ATOM 0 HB3 LEU A 99 27.490 15.607 12.935 1.00 42.25 H new ATOM 0 HG LEU A 99 28.310 13.490 11.920 1.00 64.41 H new ATOM 0 HD11 LEU A 99 27.365 11.338 12.685 1.00 73.33 H new ATOM 0 HD12 LEU A 99 28.354 12.107 13.949 1.00 73.33 H new ATOM 0 HD13 LEU A 99 26.578 12.172 14.046 1.00 73.33 H new ATOM 0 HD21 LEU A 99 26.142 12.732 11.027 1.00 23.33 H new ATOM 0 HD22 LEU A 99 25.302 13.615 12.323 1.00 23.33 H new ATOM 0 HD23 LEU A 99 26.239 14.507 11.101 1.00 23.33 H new ATOM 1416 N ARG A 100 31.048 14.202 13.685 1.00 15.15 N ATOM 1417 CA ARG A 100 32.340 14.442 13.053 1.00 11.05 C ATOM 1418 C ARG A 100 32.474 13.629 11.780 1.00 44.33 C ATOM 1419 O ARG A 100 32.478 12.399 11.816 1.00 60.34 O ATOM 1420 CB ARG A 100 33.471 14.093 14.023 1.00 62.13 C ATOM 1421 CG ARG A 100 33.321 14.772 15.374 1.00 11.51 C ATOM 1422 CD ARG A 100 34.474 14.446 16.312 1.00 61.51 C ATOM 1423 NE ARG A 100 34.225 14.913 17.685 1.00 42.53 N ATOM 1424 CZ ARG A 100 34.012 16.185 18.034 1.00 32.53 C ATOM 1425 NH1 ARG A 100 34.065 17.157 17.132 1.00 73.43 N1+ ATOM 1426 NH2 ARG A 100 33.763 16.484 19.297 1.00 1.52 N ATOM 0 H ARG A 100 31.007 13.343 14.234 1.00 15.15 H new ATOM 0 HA ARG A 100 32.407 15.499 12.794 1.00 11.05 H new ATOM 0 HB2 ARG A 100 33.500 13.013 14.166 1.00 62.13 H new ATOM 0 HB3 ARG A 100 34.424 14.382 13.581 1.00 62.13 H new ATOM 0 HG2 ARG A 100 33.264 15.851 15.232 1.00 11.51 H new ATOM 0 HG3 ARG A 100 32.382 14.461 15.833 1.00 11.51 H new ATOM 0 HD2 ARG A 100 34.639 13.369 16.321 1.00 61.51 H new ATOM 0 HD3 ARG A 100 35.388 14.905 15.934 1.00 61.51 H new ATOM 0 HE ARG A 100 34.214 14.213 18.426 1.00 42.53 H new ATOM 0 HH11 ARG A 100 34.271 16.938 16.157 1.00 73.43 H new ATOM 0 HH12 ARG A 100 33.900 18.123 17.413 1.00 73.43 H new ATOM 0 HH21 ARG A 100 33.734 15.745 20.000 1.00 1.52 H new ATOM 0 HH22 ARG A 100 33.600 17.453 19.569 1.00 1.52 H new ATOM 1440 N VAL A 101 32.593 14.323 10.660 1.00 42.14 N ATOM 1441 CA VAL A 101 32.662 13.675 9.353 1.00 72.23 C ATOM 1442 C VAL A 101 34.095 13.677 8.836 1.00 42.25 C ATOM 1443 O VAL A 101 34.574 14.691 8.328 1.00 41.22 O ATOM 1444 CB VAL A 101 31.746 14.384 8.326 1.00 14.41 C ATOM 1445 CG1 VAL A 101 31.739 13.637 6.991 1.00 25.41 C ATOM 1446 CG2 VAL A 101 30.330 14.530 8.880 1.00 42.30 C ATOM 0 H VAL A 101 32.644 15.341 10.626 1.00 42.14 H new ATOM 0 HA VAL A 101 32.319 12.648 9.476 1.00 72.23 H new ATOM 0 HB VAL A 101 32.145 15.382 8.146 1.00 14.41 H new ATOM 0 HG11 VAL A 101 31.088 14.156 6.287 1.00 25.41 H new ATOM 0 HG12 VAL A 101 32.752 13.600 6.589 1.00 25.41 H new ATOM 0 HG13 VAL A 101 31.372 12.622 7.144 1.00 25.41 H new ATOM 0 HG21 VAL A 101 29.701 15.031 8.144 1.00 42.30 H new ATOM 0 HG22 VAL A 101 29.920 13.543 9.096 1.00 42.30 H new ATOM 0 HG23 VAL A 101 30.357 15.120 9.796 1.00 42.30 H new ATOM 1456 N ALA A 102 34.785 12.551 8.988 1.00 43.12 N ATOM 1457 CA ALA A 102 36.166 12.433 8.535 1.00 40.03 C ATOM 1458 C ALA A 102 36.224 11.730 7.185 1.00 12.52 C ATOM 1459 O ALA A 102 36.111 10.501 7.104 1.00 73.10 O ATOM 1460 CB ALA A 102 37.000 11.681 9.571 1.00 44.05 C ATOM 0 H ALA A 102 34.410 11.707 9.422 1.00 43.12 H new ATOM 0 HA ALA A 102 36.582 13.434 8.418 1.00 40.03 H new ATOM 0 HB1 ALA A 102 38.029 11.600 9.220 1.00 44.05 H new ATOM 0 HB2 ALA A 102 36.980 12.223 10.517 1.00 44.05 H new ATOM 0 HB3 ALA A 102 36.586 10.683 9.716 1.00 44.05 H new ATOM 1466 N LEU A 103 36.397 12.513 6.127 1.00 73.31 N ATOM 1467 CA LEU A 103 36.490 11.974 4.773 1.00 63.24 C ATOM 1468 C LEU A 103 37.885 12.260 4.209 1.00 11.33 C ATOM 1469 O LEU A 103 38.277 13.420 4.068 1.00 24.41 O ATOM 1470 CB LEU A 103 35.401 12.581 3.866 1.00 41.13 C ATOM 1471 CG LEU A 103 35.255 11.935 2.468 1.00 32.24 C ATOM 1472 CD1 LEU A 103 34.833 10.473 2.582 1.00 55.32 C ATOM 1473 CD2 LEU A 103 34.254 12.705 1.607 1.00 41.41 C ATOM 0 H LEU A 103 36.476 13.529 6.180 1.00 73.31 H new ATOM 0 HA LEU A 103 36.330 10.896 4.806 1.00 63.24 H new ATOM 0 HB2 LEU A 103 34.443 12.508 4.381 1.00 41.13 H new ATOM 0 HB3 LEU A 103 35.613 13.642 3.735 1.00 41.13 H new ATOM 0 HG LEU A 103 36.231 11.978 1.984 1.00 32.24 H new ATOM 0 HD11 LEU A 103 34.738 10.043 1.585 1.00 55.32 H new ATOM 0 HD12 LEU A 103 35.585 9.920 3.145 1.00 55.32 H new ATOM 0 HD13 LEU A 103 33.875 10.410 3.097 1.00 55.32 H new ATOM 0 HD21 LEU A 103 34.172 12.228 0.630 1.00 41.41 H new ATOM 0 HD22 LEU A 103 33.279 12.704 2.094 1.00 41.41 H new ATOM 0 HD23 LEU A 103 34.596 13.732 1.482 1.00 41.41 H new ATOM 1485 N PRO A 104 38.657 11.204 3.902 1.00 73.52 N ATOM 1486 CA PRO A 104 40.030 11.342 3.410 1.00 62.42 C ATOM 1487 C PRO A 104 40.076 11.869 1.981 1.00 45.15 C ATOM 1488 O PRO A 104 39.158 11.633 1.190 1.00 0.45 O ATOM 1489 CB PRO A 104 40.579 9.915 3.484 1.00 24.31 C ATOM 1490 CG PRO A 104 39.382 9.037 3.369 1.00 63.40 C ATOM 1491 CD PRO A 104 38.243 9.796 3.994 1.00 45.41 C ATOM 0 HA PRO A 104 40.608 12.059 3.993 1.00 62.42 H new ATOM 0 HB2 PRO A 104 41.289 9.723 2.679 1.00 24.31 H new ATOM 0 HB3 PRO A 104 41.106 9.743 4.422 1.00 24.31 H new ATOM 0 HG2 PRO A 104 39.169 8.804 2.326 1.00 63.40 H new ATOM 0 HG3 PRO A 104 39.545 8.088 3.880 1.00 63.40 H new ATOM 0 HD2 PRO A 104 37.308 9.620 3.463 1.00 45.41 H new ATOM 0 HD3 PRO A 104 38.083 9.494 5.029 1.00 45.41 H new ATOM 1499 N GLY A 105 41.152 12.578 1.657 1.00 54.45 N ATOM 1500 CA GLY A 105 41.280 13.168 0.339 1.00 13.33 C ATOM 1501 C GLY A 105 40.370 14.370 0.165 1.00 43.42 C ATOM 1502 O GLY A 105 40.125 14.820 -0.959 1.00 1.41 O ATOM 0 H GLY A 105 41.937 12.754 2.284 1.00 54.45 H new ATOM 0 HA2 GLY A 105 42.315 13.470 0.175 1.00 13.33 H new ATOM 0 HA3 GLY A 105 41.042 12.420 -0.418 1.00 13.33 H new ATOM 1506 N LEU A 106 39.860 14.878 1.284 1.00 4.51 N ATOM 1507 CA LEU A 106 38.914 15.990 1.286 1.00 40.14 C ATOM 1508 C LEU A 106 39.359 17.086 2.263 1.00 43.11 C ATOM 1509 O LEU A 106 39.918 16.799 3.327 1.00 42.33 O ATOM 1510 CB LEU A 106 37.512 15.470 1.652 1.00 65.03 C ATOM 1511 CG LEU A 106 36.453 16.549 1.932 1.00 43.51 C ATOM 1512 CD1 LEU A 106 36.214 17.421 0.705 1.00 44.14 C ATOM 1513 CD2 LEU A 106 35.148 15.916 2.400 1.00 41.21 C ATOM 0 H LEU A 106 40.091 14.530 2.215 1.00 4.51 H new ATOM 0 HA LEU A 106 38.883 16.430 0.289 1.00 40.14 H new ATOM 0 HB2 LEU A 106 37.155 14.839 0.838 1.00 65.03 H new ATOM 0 HB3 LEU A 106 37.599 14.835 2.534 1.00 65.03 H new ATOM 0 HG LEU A 106 36.833 17.188 2.729 1.00 43.51 H new ATOM 0 HD11 LEU A 106 35.460 18.174 0.935 1.00 44.14 H new ATOM 0 HD12 LEU A 106 37.144 17.913 0.422 1.00 44.14 H new ATOM 0 HD13 LEU A 106 35.866 16.800 -0.121 1.00 44.14 H new ATOM 0 HD21 LEU A 106 34.413 16.698 2.592 1.00 41.21 H new ATOM 0 HD22 LEU A 106 34.771 15.246 1.628 1.00 41.21 H new ATOM 0 HD23 LEU A 106 35.325 15.351 3.315 1.00 41.21 H new ATOM 1525 N ASP A 107 39.132 18.344 1.877 1.00 72.42 N ATOM 1526 CA ASP A 107 39.451 19.496 2.724 1.00 14.02 C ATOM 1527 C ASP A 107 38.366 19.725 3.751 1.00 1.12 C ATOM 1528 O ASP A 107 37.261 19.214 3.621 1.00 10.24 O ATOM 1529 CB ASP A 107 39.554 20.780 1.897 1.00 13.35 C ATOM 1530 CG ASP A 107 40.579 21.757 2.451 1.00 12.43 C ATOM 1531 OD1 ASP A 107 41.690 21.842 1.892 1.00 14.01 O ATOM 1532 OD2 ASP A 107 40.280 22.437 3.458 1.00 2.52 O1- ATOM 0 H ASP A 107 38.725 18.592 0.975 1.00 72.42 H new ATOM 0 HA ASP A 107 40.403 19.272 3.205 1.00 14.02 H new ATOM 0 HB2 ASP A 107 39.819 20.526 0.871 1.00 13.35 H new ATOM 0 HB3 ASP A 107 38.578 21.264 1.863 1.00 13.35 H new ATOM 1537 N ALA A 108 38.679 20.534 4.743 1.00 41.30 N ATOM 1538 CA ALA A 108 37.682 21.043 5.662 1.00 54.32 C ATOM 1539 C ALA A 108 36.760 22.018 4.935 1.00 74.35 C ATOM 1540 O ALA A 108 35.538 21.942 5.043 1.00 33.14 O ATOM 1541 CB ALA A 108 38.366 21.736 6.821 1.00 73.33 C ATOM 0 H ALA A 108 39.628 20.856 4.934 1.00 41.30 H new ATOM 0 HA ALA A 108 37.086 20.215 6.046 1.00 54.32 H new ATOM 0 HB1 ALA A 108 37.614 22.118 7.511 1.00 73.33 H new ATOM 0 HB2 ALA A 108 39.009 21.026 7.341 1.00 73.33 H new ATOM 0 HB3 ALA A 108 38.968 22.563 6.446 1.00 73.33 H new ATOM 1547 N ALA A 109 37.376 22.923 4.173 1.00 23.13 N ATOM 1548 CA ALA A 109 36.654 23.976 3.465 1.00 64.13 C ATOM 1549 C ALA A 109 35.638 23.385 2.495 1.00 31.24 C ATOM 1550 O ALA A 109 34.515 23.877 2.378 1.00 41.21 O ATOM 1551 CB ALA A 109 37.633 24.883 2.728 1.00 33.23 C ATOM 0 H ALA A 109 38.386 22.945 4.031 1.00 23.13 H new ATOM 0 HA ALA A 109 36.110 24.571 4.199 1.00 64.13 H new ATOM 0 HB1 ALA A 109 37.082 25.664 2.204 1.00 33.23 H new ATOM 0 HB2 ALA A 109 38.316 25.339 3.444 1.00 33.23 H new ATOM 0 HB3 ALA A 109 38.202 24.295 2.008 1.00 33.23 H new ATOM 1557 N ALA A 110 36.040 22.328 1.799 1.00 73.25 N ATOM 1558 CA ALA A 110 35.151 21.637 0.874 1.00 12.34 C ATOM 1559 C ALA A 110 34.169 20.763 1.649 1.00 44.05 C ATOM 1560 O ALA A 110 32.970 20.743 1.359 1.00 34.04 O ATOM 1561 CB ALA A 110 35.954 20.803 -0.118 1.00 53.00 C ATOM 0 H ALA A 110 36.978 21.931 1.858 1.00 73.25 H new ATOM 0 HA ALA A 110 34.585 22.378 0.309 1.00 12.34 H new ATOM 0 HB1 ALA A 110 35.273 20.294 -0.801 1.00 53.00 H new ATOM 0 HB2 ALA A 110 36.619 21.454 -0.686 1.00 53.00 H new ATOM 0 HB3 ALA A 110 36.545 20.064 0.423 1.00 53.00 H new ATOM 1567 N ALA A 111 34.682 20.057 2.654 1.00 5.14 N ATOM 1568 CA ALA A 111 33.843 19.204 3.500 1.00 43.54 C ATOM 1569 C ALA A 111 32.679 19.989 4.101 1.00 4.44 C ATOM 1570 O ALA A 111 31.586 19.456 4.262 1.00 54.13 O ATOM 1571 CB ALA A 111 34.665 18.563 4.607 1.00 13.31 C ATOM 0 H ALA A 111 35.671 20.057 2.904 1.00 5.14 H new ATOM 0 HA ALA A 111 33.434 18.418 2.866 1.00 43.54 H new ATOM 0 HB1 ALA A 111 34.020 17.935 5.222 1.00 13.31 H new ATOM 0 HB2 ALA A 111 35.454 17.953 4.168 1.00 13.31 H new ATOM 0 HB3 ALA A 111 35.111 19.341 5.227 1.00 13.31 H new ATOM 1577 N LYS A 112 32.923 21.259 4.419 1.00 1.14 N ATOM 1578 CA LYS A 112 31.893 22.122 4.993 1.00 13.13 C ATOM 1579 C LYS A 112 30.648 22.151 4.110 1.00 74.23 C ATOM 1580 O LYS A 112 29.535 21.936 4.590 1.00 4.50 O ATOM 1581 CB LYS A 112 32.433 23.544 5.198 1.00 13.05 C ATOM 1582 CG LYS A 112 33.375 23.679 6.391 1.00 32.13 C ATOM 1583 CD LYS A 112 33.968 25.084 6.518 1.00 10.41 C ATOM 1584 CE LYS A 112 32.903 26.167 6.733 1.00 22.11 C ATOM 1585 NZ LYS A 112 32.215 26.556 5.469 1.00 2.23 N1+ ATOM 0 H LYS A 112 33.827 21.714 4.288 1.00 1.14 H new ATOM 0 HA LYS A 112 31.614 21.711 5.963 1.00 13.13 H new ATOM 0 HB2 LYS A 112 32.958 23.857 4.295 1.00 13.05 H new ATOM 0 HB3 LYS A 112 31.593 24.226 5.331 1.00 13.05 H new ATOM 0 HG2 LYS A 112 32.835 23.433 7.305 1.00 32.13 H new ATOM 0 HG3 LYS A 112 34.184 22.955 6.294 1.00 32.13 H new ATOM 0 HD2 LYS A 112 34.670 25.102 7.352 1.00 10.41 H new ATOM 0 HD3 LYS A 112 34.537 25.315 5.617 1.00 10.41 H new ATOM 0 HE2 LYS A 112 32.164 25.807 7.448 1.00 22.11 H new ATOM 0 HE3 LYS A 112 33.370 27.048 7.174 1.00 22.11 H new ATOM 0 HZ1 LYS A 112 32.264 27.588 5.351 1.00 2.23 H new ATOM 0 HZ2 LYS A 112 32.681 26.093 4.663 1.00 2.23 H new ATOM 0 HZ3 LYS A 112 31.219 26.259 5.510 1.00 2.23 H new ATOM 1599 N THR A 113 30.841 22.386 2.816 1.00 31.43 N ATOM 1600 CA THR A 113 29.719 22.467 1.889 1.00 60.21 C ATOM 1601 C THR A 113 29.166 21.074 1.604 1.00 74.22 C ATOM 1602 O THR A 113 27.956 20.880 1.530 1.00 73.22 O ATOM 1603 CB THR A 113 30.114 23.154 0.557 1.00 31.33 C ATOM 1604 OG1 THR A 113 28.941 23.561 -0.164 1.00 10.35 O ATOM 1605 CG2 THR A 113 30.922 22.224 -0.328 1.00 32.43 C ATOM 0 H THR A 113 31.757 22.523 2.388 1.00 31.43 H new ATOM 0 HA THR A 113 28.951 23.077 2.365 1.00 60.21 H new ATOM 0 HB THR A 113 30.720 24.023 0.811 1.00 31.33 H new ATOM 0 HG1 THR A 113 29.206 23.995 -1.002 1.00 10.35 H new ATOM 0 HG21 THR A 113 31.182 22.737 -1.254 1.00 32.43 H new ATOM 0 HG22 THR A 113 31.833 21.928 0.191 1.00 32.43 H new ATOM 0 HG23 THR A 113 30.332 21.337 -0.559 1.00 32.43 H new ATOM 1613 N LEU A 114 30.065 20.103 1.458 1.00 23.12 N ATOM 1614 CA LEU A 114 29.670 18.739 1.115 1.00 20.51 C ATOM 1615 C LEU A 114 28.776 18.135 2.199 1.00 41.04 C ATOM 1616 O LEU A 114 27.708 17.599 1.902 1.00 13.34 O ATOM 1617 CB LEU A 114 30.900 17.853 0.874 1.00 61.01 C ATOM 1618 CG LEU A 114 31.818 18.304 -0.279 1.00 11.45 C ATOM 1619 CD1 LEU A 114 32.885 17.252 -0.566 1.00 1.51 C ATOM 1620 CD2 LEU A 114 31.004 18.612 -1.538 1.00 50.51 C ATOM 0 H LEU A 114 31.070 20.235 1.572 1.00 23.12 H new ATOM 0 HA LEU A 114 29.097 18.784 0.189 1.00 20.51 H new ATOM 0 HB2 LEU A 114 31.487 17.817 1.792 1.00 61.01 H new ATOM 0 HB3 LEU A 114 30.562 16.837 0.672 1.00 61.01 H new ATOM 0 HG LEU A 114 32.321 19.221 0.029 1.00 11.45 H new ATOM 0 HD11 LEU A 114 33.521 17.592 -1.383 1.00 1.51 H new ATOM 0 HD12 LEU A 114 33.492 17.097 0.326 1.00 1.51 H new ATOM 0 HD13 LEU A 114 32.405 16.314 -0.846 1.00 1.51 H new ATOM 0 HD21 LEU A 114 31.675 18.928 -2.337 1.00 50.51 H new ATOM 0 HD22 LEU A 114 30.464 17.718 -1.850 1.00 50.51 H new ATOM 0 HD23 LEU A 114 30.292 19.410 -1.325 1.00 50.51 H new ATOM 1632 N VAL A 115 29.205 18.245 3.452 1.00 72.22 N ATOM 1633 CA VAL A 115 28.428 17.731 4.576 1.00 32.34 C ATOM 1634 C VAL A 115 27.130 18.519 4.719 1.00 1.13 C ATOM 1635 O VAL A 115 26.083 17.963 5.062 1.00 25.22 O ATOM 1636 CB VAL A 115 29.226 17.798 5.904 1.00 63.01 C ATOM 1637 CG1 VAL A 115 28.383 17.300 7.078 1.00 14.41 C ATOM 1638 CG2 VAL A 115 30.521 16.994 5.793 1.00 35.24 C ATOM 0 H VAL A 115 30.086 18.685 3.715 1.00 72.22 H new ATOM 0 HA VAL A 115 28.203 16.685 4.369 1.00 32.34 H new ATOM 0 HB VAL A 115 29.481 18.841 6.092 1.00 63.01 H new ATOM 0 HG11 VAL A 115 28.968 17.358 7.996 1.00 14.41 H new ATOM 0 HG12 VAL A 115 27.492 17.920 7.175 1.00 14.41 H new ATOM 0 HG13 VAL A 115 28.087 16.266 6.901 1.00 14.41 H new ATOM 0 HG21 VAL A 115 31.068 17.053 6.734 1.00 35.24 H new ATOM 0 HG22 VAL A 115 30.285 15.952 5.575 1.00 35.24 H new ATOM 0 HG23 VAL A 115 31.135 17.403 4.991 1.00 35.24 H new ATOM 1648 N ASP A 116 27.210 19.815 4.436 1.00 34.11 N ATOM 1649 CA ASP A 116 26.051 20.696 4.515 1.00 22.44 C ATOM 1650 C ASP A 116 24.960 20.228 3.554 1.00 4.20 C ATOM 1651 O ASP A 116 23.856 19.866 3.973 1.00 63.50 O ATOM 1652 CB ASP A 116 26.451 22.141 4.183 1.00 1.42 C ATOM 1653 CG ASP A 116 25.329 23.132 4.469 1.00 43.12 C ATOM 1654 OD1 ASP A 116 25.157 23.521 5.646 1.00 62.34 O ATOM 1655 OD2 ASP A 116 24.614 23.525 3.526 1.00 50.12 O1- ATOM 0 H ASP A 116 28.071 20.280 4.148 1.00 34.11 H new ATOM 0 HA ASP A 116 25.665 20.662 5.534 1.00 22.44 H new ATOM 0 HB2 ASP A 116 27.331 22.415 4.764 1.00 1.42 H new ATOM 0 HB3 ASP A 116 26.731 22.206 3.131 1.00 1.42 H new ATOM 1660 N ARG A 117 25.291 20.202 2.265 1.00 43.12 N ATOM 1661 CA ARG A 117 24.338 19.828 1.227 1.00 25.23 C ATOM 1662 C ARG A 117 23.877 18.383 1.408 1.00 51.42 C ATOM 1663 O ARG A 117 22.705 18.066 1.202 1.00 42.42 O ATOM 1664 CB ARG A 117 24.968 20.020 -0.155 1.00 4.30 C ATOM 1665 CG ARG A 117 26.269 19.247 -0.338 1.00 3.24 C ATOM 1666 CD ARG A 117 26.983 19.610 -1.629 1.00 12.41 C ATOM 1667 NE ARG A 117 26.291 19.085 -2.810 1.00 15.40 N ATOM 1668 CZ ARG A 117 26.864 18.919 -4.004 1.00 54.12 C ATOM 1669 NH1 ARG A 117 28.119 19.307 -4.207 1.00 44.31 N1+ ATOM 1670 NH2 ARG A 117 26.176 18.382 -5.002 1.00 65.24 N ATOM 0 H ARG A 117 26.219 20.438 1.914 1.00 43.12 H new ATOM 0 HA ARG A 117 23.464 20.474 1.310 1.00 25.23 H new ATOM 0 HB2 ARG A 117 24.256 19.705 -0.918 1.00 4.30 H new ATOM 0 HB3 ARG A 117 25.158 21.081 -0.315 1.00 4.30 H new ATOM 0 HG2 ARG A 117 26.928 19.446 0.507 1.00 3.24 H new ATOM 0 HG3 ARG A 117 26.057 18.178 -0.332 1.00 3.24 H new ATOM 0 HD2 ARG A 117 27.060 20.694 -1.707 1.00 12.41 H new ATOM 0 HD3 ARG A 117 28.000 19.219 -1.602 1.00 12.41 H new ATOM 0 HE ARG A 117 25.308 18.830 -2.713 1.00 15.40 H new ATOM 0 HH11 ARG A 117 28.650 19.734 -3.448 1.00 44.31 H new ATOM 0 HH12 ARG A 117 28.551 19.177 -5.122 1.00 44.31 H new ATOM 0 HH21 ARG A 117 25.208 18.095 -4.858 1.00 65.24 H new ATOM 0 HH22 ARG A 117 26.615 18.256 -5.914 1.00 65.24 H new ATOM 1684 N ALA A 118 24.806 17.521 1.810 1.00 40.10 N ATOM 1685 CA ALA A 118 24.500 16.113 2.046 1.00 45.33 C ATOM 1686 C ALA A 118 23.424 15.968 3.117 1.00 63.41 C ATOM 1687 O ALA A 118 22.414 15.293 2.910 1.00 0.11 O ATOM 1688 CB ALA A 118 25.759 15.350 2.447 1.00 44.02 C ATOM 0 H ALA A 118 25.780 17.773 1.980 1.00 40.10 H new ATOM 0 HA ALA A 118 24.120 15.686 1.118 1.00 45.33 H new ATOM 0 HB1 ALA A 118 25.511 14.303 2.619 1.00 44.02 H new ATOM 0 HB2 ALA A 118 26.498 15.422 1.649 1.00 44.02 H new ATOM 0 HB3 ALA A 118 26.169 15.780 3.361 1.00 44.02 H new ATOM 1694 N HIS A 119 23.632 16.624 4.257 1.00 52.13 N ATOM 1695 CA HIS A 119 22.680 16.548 5.360 1.00 15.33 C ATOM 1696 C HIS A 119 21.371 17.249 4.988 1.00 0.40 C ATOM 1697 O HIS A 119 20.328 16.984 5.582 1.00 63.33 O ATOM 1698 CB HIS A 119 23.273 17.166 6.635 1.00 54.45 C ATOM 1699 CG HIS A 119 22.607 16.687 7.893 1.00 21.21 C ATOM 1700 ND1 HIS A 119 21.419 17.196 8.368 1.00 2.34 N ATOM 1701 CD2 HIS A 119 22.969 15.714 8.762 1.00 20.34 C ATOM 1702 CE1 HIS A 119 21.079 16.556 9.471 1.00 52.23 C ATOM 1703 NE2 HIS A 119 22.001 15.646 9.734 1.00 74.13 N ATOM 0 H HIS A 119 24.446 17.210 4.439 1.00 52.13 H new ATOM 0 HA HIS A 119 22.469 15.497 5.555 1.00 15.33 H new ATOM 0 HB2 HIS A 119 24.336 16.932 6.683 1.00 54.45 H new ATOM 0 HB3 HIS A 119 23.188 18.251 6.578 1.00 54.45 H new ATOM 0 HD1 HIS A 119 20.885 17.950 7.935 1.00 2.34 H new ATOM 0 HD2 HIS A 119 23.857 15.103 8.702 1.00 20.34 H new ATOM 0 HE1 HIS A 119 20.194 16.745 10.061 1.00 52.23 H new ATOM 1712 N HIS A 120 21.439 18.150 4.007 1.00 43.52 N ATOM 1713 CA HIS A 120 20.250 18.851 3.513 1.00 31.45 C ATOM 1714 C HIS A 120 19.358 17.902 2.714 1.00 61.14 C ATOM 1715 O HIS A 120 18.171 17.751 3.007 1.00 43.11 O ATOM 1716 CB HIS A 120 20.640 20.045 2.622 1.00 2.24 C ATOM 1717 CG HIS A 120 21.068 21.281 3.358 1.00 45.12 C ATOM 1718 ND1 HIS A 120 21.042 22.531 2.781 1.00 44.32 N ATOM 1719 CD2 HIS A 120 21.551 21.461 4.612 1.00 50.50 C ATOM 1720 CE1 HIS A 120 21.490 23.422 3.641 1.00 65.24 C ATOM 1721 NE2 HIS A 120 21.807 22.803 4.763 1.00 75.14 N ATOM 0 H HIS A 120 22.306 18.413 3.537 1.00 43.52 H new ATOM 0 HA HIS A 120 19.704 19.219 4.382 1.00 31.45 H new ATOM 0 HB2 HIS A 120 21.451 19.736 1.962 1.00 2.24 H new ATOM 0 HB3 HIS A 120 19.791 20.296 1.987 1.00 2.24 H new ATOM 0 HD2 HIS A 120 21.706 20.692 5.355 1.00 50.50 H new ATOM 0 HE1 HIS A 120 21.583 24.482 3.459 1.00 65.24 H new ATOM 0 HE2 HIS A 120 22.180 23.247 5.602 1.00 75.14 H new ATOM 1730 N VAL A 121 19.947 17.261 1.707 1.00 33.11 N ATOM 1731 CA VAL A 121 19.194 16.430 0.770 1.00 23.21 C ATOM 1732 C VAL A 121 18.789 15.095 1.396 1.00 3.02 C ATOM 1733 O VAL A 121 17.759 14.520 1.031 1.00 30.52 O ATOM 1734 CB VAL A 121 19.992 16.173 -0.538 1.00 61.42 C ATOM 1735 CG1 VAL A 121 20.291 17.488 -1.255 1.00 74.54 C ATOM 1736 CG2 VAL A 121 21.284 15.403 -0.258 1.00 44.31 C ATOM 0 H VAL A 121 20.949 17.302 1.518 1.00 33.11 H new ATOM 0 HA VAL A 121 18.290 16.986 0.523 1.00 23.21 H new ATOM 0 HB VAL A 121 19.373 15.558 -1.191 1.00 61.42 H new ATOM 0 HG11 VAL A 121 20.850 17.285 -2.168 1.00 74.54 H new ATOM 0 HG12 VAL A 121 19.355 17.987 -1.506 1.00 74.54 H new ATOM 0 HG13 VAL A 121 20.882 18.132 -0.603 1.00 74.54 H new ATOM 0 HG21 VAL A 121 21.820 15.239 -1.193 1.00 44.31 H new ATOM 0 HG22 VAL A 121 21.911 15.979 0.423 1.00 44.31 H new ATOM 0 HG23 VAL A 121 21.044 14.442 0.196 1.00 44.31 H new ATOM 1746 N CYS A 122 19.597 14.607 2.336 1.00 31.44 N ATOM 1747 CA CYS A 122 19.319 13.339 3.002 1.00 53.14 C ATOM 1748 C CYS A 122 19.775 13.374 4.464 1.00 23.34 C ATOM 1749 O CYS A 122 20.925 13.057 4.775 1.00 24.32 O ATOM 1750 CB CYS A 122 20.003 12.188 2.250 1.00 50.43 C ATOM 1751 SG CYS A 122 21.773 12.436 1.977 1.00 72.12 S ATOM 0 H CYS A 122 20.448 15.071 2.652 1.00 31.44 H new ATOM 0 HA CYS A 122 18.242 13.175 2.993 1.00 53.14 H new ATOM 0 HB2 CYS A 122 19.858 11.265 2.811 1.00 50.43 H new ATOM 0 HB3 CYS A 122 19.512 12.055 1.286 1.00 50.43 H new ATOM 0 HG CYS A 122 22.131 13.585 2.469 1.00 72.12 H new ATOM 1757 N PRO A 123 18.891 13.817 5.379 1.00 50.40 N ATOM 1758 CA PRO A 123 19.154 13.790 6.808 1.00 60.03 C ATOM 1759 C PRO A 123 18.646 12.494 7.457 1.00 74.45 C ATOM 1760 O PRO A 123 19.428 11.587 7.733 1.00 30.15 O ATOM 1761 CB PRO A 123 18.383 15.021 7.324 1.00 24.23 C ATOM 1762 CG PRO A 123 17.408 15.401 6.233 1.00 34.14 C ATOM 1763 CD PRO A 123 17.580 14.413 5.099 1.00 45.03 C ATOM 0 HA PRO A 123 20.217 13.818 7.046 1.00 60.03 H new ATOM 0 HB2 PRO A 123 17.858 14.790 8.251 1.00 24.23 H new ATOM 0 HB3 PRO A 123 19.064 15.844 7.540 1.00 24.23 H new ATOM 0 HG2 PRO A 123 16.385 15.378 6.609 1.00 34.14 H new ATOM 0 HG3 PRO A 123 17.598 16.417 5.887 1.00 34.14 H new ATOM 0 HD2 PRO A 123 16.789 13.663 5.093 1.00 45.03 H new ATOM 0 HD3 PRO A 123 17.560 14.906 4.127 1.00 45.03 H new ATOM 1771 N TYR A 124 17.332 12.441 7.682 1.00 53.44 N ATOM 1772 CA TYR A 124 16.623 11.282 8.247 1.00 1.24 C ATOM 1773 C TYR A 124 15.245 11.779 8.673 1.00 42.34 C ATOM 1774 O TYR A 124 14.241 11.075 8.588 1.00 23.13 O ATOM 1775 CB TYR A 124 17.367 10.648 9.455 1.00 65.44 C ATOM 1776 CG TYR A 124 17.200 9.132 9.552 1.00 10.42 C ATOM 1777 CD1 TYR A 124 17.105 8.469 10.784 1.00 42.12 C ATOM 1778 CD2 TYR A 124 17.139 8.359 8.394 1.00 13.25 C ATOM 1779 CE1 TYR A 124 16.959 7.097 10.839 1.00 14.31 C ATOM 1780 CE2 TYR A 124 16.992 6.987 8.452 1.00 12.12 C ATOM 1781 CZ TYR A 124 16.901 6.362 9.675 1.00 5.42 C ATOM 1782 OH TYR A 124 16.751 4.994 9.736 1.00 60.35 O ATOM 0 H TYR A 124 16.711 13.222 7.472 1.00 53.44 H new ATOM 0 HA TYR A 124 16.559 10.494 7.496 1.00 1.24 H new ATOM 0 HB2 TYR A 124 18.429 10.884 9.381 1.00 65.44 H new ATOM 0 HB3 TYR A 124 17.002 11.104 10.375 1.00 65.44 H new ATOM 0 HD1 TYR A 124 17.147 9.038 11.701 1.00 42.12 H new ATOM 0 HD2 TYR A 124 17.208 8.843 7.431 1.00 13.25 H new ATOM 0 HE1 TYR A 124 16.890 6.600 11.795 1.00 14.31 H new ATOM 0 HE2 TYR A 124 16.949 6.407 7.542 1.00 12.12 H new ATOM 0 HH TYR A 124 16.727 4.627 8.828 1.00 60.35 H new ATOM 1792 N SER A 125 15.244 13.027 9.127 1.00 23.21 N ATOM 1793 CA SER A 125 14.038 13.780 9.431 1.00 62.44 C ATOM 1794 C SER A 125 14.428 15.250 9.584 1.00 2.13 C ATOM 1795 O SER A 125 15.585 15.550 9.883 1.00 5.11 O ATOM 1796 CB SER A 125 13.385 13.251 10.715 1.00 61.32 C ATOM 1797 OG SER A 125 14.311 13.233 11.790 1.00 44.54 O ATOM 0 H SER A 125 16.101 13.553 9.297 1.00 23.21 H new ATOM 0 HA SER A 125 13.310 13.671 8.627 1.00 62.44 H new ATOM 0 HB2 SER A 125 12.532 13.876 10.977 1.00 61.32 H new ATOM 0 HB3 SER A 125 13.002 12.245 10.544 1.00 61.32 H new ATOM 0 HG SER A 125 13.870 12.894 12.596 1.00 44.54 H new ATOM 1803 N ASN A 126 13.496 16.166 9.363 1.00 23.44 N ATOM 1804 CA ASN A 126 13.780 17.594 9.526 1.00 73.42 C ATOM 1805 C ASN A 126 14.116 17.881 10.987 1.00 24.25 C ATOM 1806 O ASN A 126 14.938 18.742 11.309 1.00 64.13 O ATOM 1807 CB ASN A 126 12.579 18.443 9.081 1.00 54.23 C ATOM 1808 CG ASN A 126 12.176 18.183 7.639 1.00 23.41 C ATOM 1809 OD1 ASN A 126 11.346 17.317 7.361 1.00 4.50 O ATOM 1810 ND2 ASN A 126 12.759 18.927 6.711 1.00 5.31 N ATOM 0 H ASN A 126 12.542 15.953 9.072 1.00 23.44 H new ATOM 0 HA ASN A 126 14.631 17.858 8.899 1.00 73.42 H new ATOM 0 HB2 ASN A 126 11.731 18.235 9.734 1.00 54.23 H new ATOM 0 HB3 ASN A 126 12.822 19.499 9.201 1.00 54.23 H new ATOM 0 HD21 ASN A 126 12.525 18.792 5.728 1.00 5.31 H new ATOM 0 HD22 ASN A 126 13.442 19.635 6.980 1.00 5.31 H new ATOM 1817 N ALA A 127 13.494 17.110 11.862 1.00 54.04 N ATOM 1818 CA ALA A 127 13.630 17.268 13.302 1.00 54.10 C ATOM 1819 C ALA A 127 14.913 16.629 13.837 1.00 52.15 C ATOM 1820 O ALA A 127 15.134 16.598 15.043 1.00 1.24 O ATOM 1821 CB ALA A 127 12.413 16.674 13.980 1.00 41.33 C ATOM 0 H ALA A 127 12.873 16.348 11.591 1.00 54.04 H new ATOM 0 HA ALA A 127 13.698 18.333 13.525 1.00 54.10 H new ATOM 0 HB1 ALA A 127 12.506 16.788 15.060 1.00 41.33 H new ATOM 0 HB2 ALA A 127 11.517 17.191 13.637 1.00 41.33 H new ATOM 0 HB3 ALA A 127 12.339 15.615 13.732 1.00 41.33 H new ATOM 1827 N THR A 128 15.780 16.153 12.952 1.00 1.20 N ATOM 1828 CA THR A 128 16.982 15.450 13.387 1.00 2.03 C ATOM 1829 C THR A 128 18.076 16.479 13.580 1.00 41.31 C ATOM 1830 O THR A 128 19.182 16.173 14.022 1.00 64.41 O ATOM 1831 CB THR A 128 17.436 14.365 12.371 1.00 53.22 C ATOM 1832 OG1 THR A 128 18.339 13.444 13.001 1.00 44.43 O ATOM 1833 CG2 THR A 128 18.132 14.983 11.161 1.00 73.21 C ATOM 0 H THR A 128 15.677 16.239 11.941 1.00 1.20 H new ATOM 0 HA THR A 128 16.767 14.927 14.318 1.00 2.03 H new ATOM 0 HB THR A 128 16.541 13.844 12.032 1.00 53.22 H new ATOM 0 HG1 THR A 128 18.954 13.936 13.584 1.00 44.43 H new ATOM 0 HG21 THR A 128 18.435 14.194 10.473 1.00 73.21 H new ATOM 0 HG22 THR A 128 17.446 15.662 10.655 1.00 73.21 H new ATOM 0 HG23 THR A 128 19.012 15.535 11.490 1.00 73.21 H new ATOM 1841 N ARG A 129 17.732 17.708 13.220 1.00 15.30 N ATOM 1842 CA ARG A 129 18.624 18.837 13.338 1.00 1.24 C ATOM 1843 C ARG A 129 17.908 19.985 14.052 1.00 21.22 C ATOM 1844 O ARG A 129 18.488 20.686 14.876 1.00 60.25 O ATOM 1845 CB ARG A 129 19.064 19.265 11.934 1.00 61.34 C ATOM 1846 CG ARG A 129 17.974 19.946 11.110 1.00 45.30 C ATOM 1847 CD ARG A 129 18.481 20.396 9.747 1.00 1.10 C ATOM 1848 NE ARG A 129 19.592 21.352 9.842 1.00 10.14 N ATOM 1849 CZ ARG A 129 19.809 22.331 8.959 1.00 72.04 C ATOM 1850 NH1 ARG A 129 18.961 22.524 7.954 1.00 12.15 N1+ ATOM 1851 NH2 ARG A 129 20.865 23.122 9.086 1.00 55.55 N ATOM 0 H ARG A 129 16.817 17.944 12.836 1.00 15.30 H new ATOM 0 HA ARG A 129 19.503 18.564 13.922 1.00 1.24 H new ATOM 0 HB2 ARG A 129 19.912 19.944 12.024 1.00 61.34 H new ATOM 0 HB3 ARG A 129 19.415 18.386 11.393 1.00 61.34 H new ATOM 0 HG2 ARG A 129 17.139 19.258 10.976 1.00 45.30 H new ATOM 0 HG3 ARG A 129 17.593 20.808 11.657 1.00 45.30 H new ATOM 0 HD2 ARG A 129 18.805 19.524 9.179 1.00 1.10 H new ATOM 0 HD3 ARG A 129 17.661 20.852 9.192 1.00 1.10 H new ATOM 0 HE ARG A 129 20.236 21.263 10.628 1.00 10.14 H new ATOM 0 HH11 ARG A 129 18.142 21.924 7.855 1.00 12.15 H new ATOM 0 HH12 ARG A 129 19.129 23.272 7.281 1.00 12.15 H new ATOM 0 HH21 ARG A 129 21.515 22.984 9.860 1.00 55.55 H new ATOM 0 HH22 ARG A 129 21.027 23.868 8.410 1.00 55.55 H new ATOM 1865 N ASN A 130 16.635 20.163 13.709 1.00 53.23 N ATOM 1866 CA ASN A 130 15.817 21.246 14.249 1.00 71.44 C ATOM 1867 C ASN A 130 15.321 20.927 15.656 1.00 71.52 C ATOM 1868 O ASN A 130 15.028 21.830 16.441 1.00 41.25 O ATOM 1869 CB ASN A 130 14.642 21.510 13.308 1.00 51.21 C ATOM 1870 CG ASN A 130 15.112 22.002 11.950 1.00 65.44 C ATOM 1871 OD1 ASN A 130 16.053 22.790 11.851 1.00 64.05 O ATOM 1872 ND2 ASN A 130 14.498 21.501 10.896 1.00 32.23 N ATOM 0 H ASN A 130 16.142 19.561 13.050 1.00 53.23 H new ATOM 0 HA ASN A 130 16.433 22.143 14.322 1.00 71.44 H new ATOM 0 HB2 ASN A 130 14.062 20.595 13.183 1.00 51.21 H new ATOM 0 HB3 ASN A 130 13.978 22.250 13.754 1.00 51.21 H new ATOM 0 HD21 ASN A 130 14.799 21.764 9.958 1.00 32.23 H new ATOM 0 HD22 ASN A 130 13.722 20.851 11.019 1.00 32.23 H new ATOM 1879 N ASN A 131 15.207 19.636 15.959 1.00 23.53 N ATOM 1880 CA ASN A 131 14.766 19.184 17.281 1.00 43.51 C ATOM 1881 C ASN A 131 15.967 18.682 18.076 1.00 71.03 C ATOM 1882 O ASN A 131 16.088 18.930 19.276 1.00 72.12 O ATOM 1883 CB ASN A 131 13.726 18.059 17.140 1.00 43.33 C ATOM 1884 CG ASN A 131 13.002 17.731 18.444 1.00 4.41 C ATOM 1885 OD1 ASN A 131 12.785 18.733 19.288 1.00 52.34 O flip ATOM 1886 ND2 ASN A 131 12.627 16.583 18.682 1.00 53.22 N flip ATOM 0 H ASN A 131 15.414 18.880 15.306 1.00 23.53 H new ATOM 0 HA ASN A 131 14.307 20.021 17.807 1.00 43.51 H new ATOM 0 HB2 ASN A 131 12.991 18.347 16.388 1.00 43.33 H new ATOM 0 HB3 ASN A 131 14.222 17.160 16.773 1.00 43.33 H new ATOM 0 HD21 ASN A 131 12.811 15.837 18.011 1.00 53.22 H new ATOM 0 HD22 ASN A 131 12.133 16.378 19.550 1.00 53.22 H new ATOM 1893 N VAL A 132 16.855 17.975 17.380 1.00 22.24 N ATOM 1894 CA VAL A 132 18.062 17.422 17.982 1.00 51.15 C ATOM 1895 C VAL A 132 19.248 18.339 17.702 1.00 30.12 C ATOM 1896 O VAL A 132 19.572 18.608 16.544 1.00 33.10 O ATOM 1897 CB VAL A 132 18.368 16.006 17.429 1.00 54.43 C ATOM 1898 CG1 VAL A 132 19.505 15.346 18.210 1.00 31.31 C ATOM 1899 CG2 VAL A 132 17.110 15.137 17.446 1.00 70.22 C ATOM 0 H VAL A 132 16.757 17.771 16.385 1.00 22.24 H new ATOM 0 HA VAL A 132 17.896 17.346 19.057 1.00 51.15 H new ATOM 0 HB VAL A 132 18.694 16.108 16.394 1.00 54.43 H new ATOM 0 HG11 VAL A 132 19.699 14.354 17.802 1.00 31.31 H new ATOM 0 HG12 VAL A 132 20.405 15.955 18.127 1.00 31.31 H new ATOM 0 HG13 VAL A 132 19.222 15.257 19.259 1.00 31.31 H new ATOM 0 HG21 VAL A 132 17.346 14.148 17.054 1.00 70.22 H new ATOM 0 HG22 VAL A 132 16.745 15.045 18.469 1.00 70.22 H new ATOM 0 HG23 VAL A 132 16.341 15.598 16.827 1.00 70.22 H new ATOM 1909 N ALA A 133 19.887 18.818 18.762 1.00 44.32 N ATOM 1910 CA ALA A 133 20.991 19.758 18.634 1.00 45.42 C ATOM 1911 C ALA A 133 22.263 19.049 18.187 1.00 30.31 C ATOM 1912 O ALA A 133 22.968 18.438 18.993 1.00 14.22 O ATOM 1913 CB ALA A 133 21.208 20.490 19.952 1.00 22.23 C ATOM 0 H ALA A 133 19.657 18.569 19.724 1.00 44.32 H new ATOM 0 HA ALA A 133 20.737 20.490 17.868 1.00 45.42 H new ATOM 0 HB1 ALA A 133 22.036 21.191 19.847 1.00 22.23 H new ATOM 0 HB2 ALA A 133 20.303 21.035 20.219 1.00 22.23 H new ATOM 0 HB3 ALA A 133 21.441 19.768 20.735 1.00 22.23 H new ATOM 1919 N VAL A 134 22.543 19.125 16.891 1.00 55.21 N ATOM 1920 CA VAL A 134 23.720 18.492 16.321 1.00 14.23 C ATOM 1921 C VAL A 134 24.741 19.536 15.874 1.00 75.02 C ATOM 1922 O VAL A 134 24.395 20.526 15.224 1.00 44.45 O ATOM 1923 CB VAL A 134 23.368 17.596 15.108 1.00 13.33 C ATOM 1924 CG1 VAL A 134 24.564 16.721 14.747 1.00 2.32 C ATOM 1925 CG2 VAL A 134 22.124 16.748 15.380 1.00 40.12 C ATOM 0 H VAL A 134 21.965 19.623 16.214 1.00 55.21 H new ATOM 0 HA VAL A 134 24.145 17.869 17.108 1.00 14.23 H new ATOM 0 HB VAL A 134 23.136 18.240 14.259 1.00 13.33 H new ATOM 0 HG11 VAL A 134 24.311 16.093 13.893 1.00 2.32 H new ATOM 0 HG12 VAL A 134 25.414 17.354 14.492 1.00 2.32 H new ATOM 0 HG13 VAL A 134 24.823 16.090 15.597 1.00 2.32 H new ATOM 0 HG21 VAL A 134 21.906 16.132 14.508 1.00 40.12 H new ATOM 0 HG22 VAL A 134 22.303 16.106 16.243 1.00 40.12 H new ATOM 0 HG23 VAL A 134 21.276 17.401 15.584 1.00 40.12 H new ATOM 1935 N ARG A 135 25.995 19.307 16.236 1.00 5.32 N ATOM 1936 CA ARG A 135 27.108 20.128 15.782 1.00 35.41 C ATOM 1937 C ARG A 135 27.756 19.449 14.577 1.00 62.34 C ATOM 1938 O ARG A 135 28.412 18.418 14.733 1.00 24.24 O ATOM 1939 CB ARG A 135 28.160 20.276 16.896 1.00 72.41 C ATOM 1940 CG ARG A 135 27.592 20.561 18.284 1.00 24.53 C ATOM 1941 CD ARG A 135 27.011 21.960 18.401 1.00 72.30 C ATOM 1942 NE ARG A 135 26.597 22.248 19.774 1.00 54.11 N ATOM 1943 CZ ARG A 135 26.564 23.467 20.311 1.00 2.05 C ATOM 1944 NH1 ARG A 135 26.935 24.529 19.602 1.00 12.22 N1+ ATOM 1945 NH2 ARG A 135 26.170 23.613 21.566 1.00 32.21 N ATOM 0 H ARG A 135 26.270 18.544 16.855 1.00 5.32 H new ATOM 0 HA ARG A 135 26.736 21.117 15.515 1.00 35.41 H new ATOM 0 HB2 ARG A 135 28.750 19.361 16.942 1.00 72.41 H new ATOM 0 HB3 ARG A 135 28.842 21.082 16.626 1.00 72.41 H new ATOM 0 HG2 ARG A 135 26.817 19.829 18.513 1.00 24.53 H new ATOM 0 HG3 ARG A 135 28.379 20.435 19.028 1.00 24.53 H new ATOM 0 HD2 ARG A 135 27.752 22.692 18.081 1.00 72.30 H new ATOM 0 HD3 ARG A 135 26.156 22.059 17.732 1.00 72.30 H new ATOM 0 HE ARG A 135 26.314 21.462 20.360 1.00 54.11 H new ATOM 0 HH11 ARG A 135 27.248 24.415 18.638 1.00 12.22 H new ATOM 0 HH12 ARG A 135 26.906 25.458 20.022 1.00 12.22 H new ATOM 0 HH21 ARG A 135 25.895 22.797 22.113 1.00 32.21 H new ATOM 0 HH22 ARG A 135 26.141 24.542 21.987 1.00 32.21 H new ATOM 1959 N LEU A 136 27.551 19.988 13.379 1.00 14.32 N ATOM 1960 CA LEU A 136 28.185 19.426 12.191 1.00 2.32 C ATOM 1961 C LEU A 136 29.651 19.842 12.130 1.00 50.04 C ATOM 1962 O LEU A 136 29.985 20.977 11.771 1.00 1.31 O ATOM 1963 CB LEU A 136 27.431 19.826 10.912 1.00 33.50 C ATOM 1964 CG LEU A 136 26.161 19.000 10.629 1.00 40.54 C ATOM 1965 CD1 LEU A 136 25.437 19.509 9.383 1.00 3.54 C ATOM 1966 CD2 LEU A 136 26.515 17.519 10.474 1.00 32.41 C ATOM 0 H LEU A 136 26.960 20.801 13.206 1.00 14.32 H new ATOM 0 HA LEU A 136 28.142 18.339 12.259 1.00 2.32 H new ATOM 0 HB2 LEU A 136 27.155 20.878 10.983 1.00 33.50 H new ATOM 0 HB3 LEU A 136 28.107 19.730 10.063 1.00 33.50 H new ATOM 0 HG LEU A 136 25.487 19.114 11.478 1.00 40.54 H new ATOM 0 HD11 LEU A 136 24.545 18.907 9.209 1.00 3.54 H new ATOM 0 HD12 LEU A 136 25.149 20.550 9.529 1.00 3.54 H new ATOM 0 HD13 LEU A 136 26.100 19.434 8.521 1.00 3.54 H new ATOM 0 HD21 LEU A 136 25.609 16.947 10.274 1.00 32.41 H new ATOM 0 HD22 LEU A 136 27.211 17.396 9.645 1.00 32.41 H new ATOM 0 HD23 LEU A 136 26.977 17.157 11.392 1.00 32.41 H new ATOM 1978 N VAL A 137 30.516 18.913 12.515 1.00 24.14 N ATOM 1979 CA VAL A 137 31.954 19.142 12.567 1.00 11.21 C ATOM 1980 C VAL A 137 32.657 18.272 11.529 1.00 22.22 C ATOM 1981 O VAL A 137 32.610 17.044 11.586 1.00 60.11 O ATOM 1982 CB VAL A 137 32.513 18.877 14.000 1.00 74.42 C ATOM 1983 CG1 VAL A 137 31.693 17.803 14.712 1.00 2.12 C ATOM 1984 CG2 VAL A 137 33.997 18.486 13.968 1.00 51.44 C ATOM 0 H VAL A 137 30.238 17.974 12.802 1.00 24.14 H new ATOM 0 HA VAL A 137 32.150 20.188 12.331 1.00 11.21 H new ATOM 0 HB VAL A 137 32.428 19.809 14.559 1.00 74.42 H new ATOM 0 HG11 VAL A 137 32.101 17.635 15.709 1.00 2.12 H new ATOM 0 HG12 VAL A 137 30.657 18.131 14.794 1.00 2.12 H new ATOM 0 HG13 VAL A 137 31.735 16.875 14.142 1.00 2.12 H new ATOM 0 HG21 VAL A 137 34.349 18.310 14.985 1.00 51.44 H new ATOM 0 HG22 VAL A 137 34.121 17.578 13.378 1.00 51.44 H new ATOM 0 HG23 VAL A 137 34.576 19.292 13.518 1.00 51.44 H new ATOM 1994 N VAL A 138 33.288 18.924 10.566 1.00 43.23 N ATOM 1995 CA VAL A 138 33.962 18.236 9.476 1.00 53.11 C ATOM 1996 C VAL A 138 35.432 18.008 9.816 1.00 13.33 C ATOM 1997 O VAL A 138 36.093 18.866 10.413 1.00 44.02 O ATOM 1998 CB VAL A 138 33.846 18.998 8.137 1.00 15.42 C ATOM 1999 CG1 VAL A 138 32.408 19.439 7.883 1.00 20.25 C ATOM 2000 CG2 VAL A 138 34.809 20.171 8.102 1.00 13.44 C ATOM 0 H VAL A 138 33.348 19.941 10.517 1.00 43.23 H new ATOM 0 HA VAL A 138 33.462 17.275 9.352 1.00 53.11 H new ATOM 0 HB VAL A 138 34.124 18.320 7.330 1.00 15.42 H new ATOM 0 HG11 VAL A 138 32.353 19.973 6.934 1.00 20.25 H new ATOM 0 HG12 VAL A 138 31.760 18.563 7.844 1.00 20.25 H new ATOM 0 HG13 VAL A 138 32.081 20.096 8.689 1.00 20.25 H new ATOM 0 HG21 VAL A 138 34.711 20.694 7.151 1.00 13.44 H new ATOM 0 HG22 VAL A 138 34.578 20.856 8.918 1.00 13.44 H new ATOM 0 HG23 VAL A 138 35.830 19.807 8.212 1.00 13.44 H new ATOM 2010 N ALA A 139 35.917 16.835 9.470 1.00 53.03 N ATOM 2011 CA ALA A 139 37.282 16.422 9.790 1.00 12.31 C ATOM 2012 C ALA A 139 38.053 16.090 8.518 1.00 73.13 C ATOM 2013 O ALA A 139 37.475 15.602 7.545 1.00 43.50 O ATOM 2014 CB ALA A 139 37.264 15.223 10.734 1.00 22.50 C ATOM 0 H ALA A 139 35.382 16.134 8.958 1.00 53.03 H new ATOM 0 HA ALA A 139 37.787 17.249 10.289 1.00 12.31 H new ATOM 0 HB1 ALA A 139 38.287 14.926 10.964 1.00 22.50 H new ATOM 0 HB2 ALA A 139 36.749 15.493 11.656 1.00 22.50 H new ATOM 0 HB3 ALA A 139 36.743 14.392 10.257 1.00 22.50 H new TER 2020 ALA A 139 ATOM 2021 N MET B 1 26.417 24.484 27.422 1.00 72.34 N ATOM 2022 CA MET B 1 25.512 23.858 28.378 1.00 63.32 C ATOM 2023 C MET B 1 26.282 22.963 29.342 1.00 71.35 C ATOM 2024 O MET B 1 27.476 22.715 29.159 1.00 2.40 O ATOM 2025 CB MET B 1 24.455 23.027 27.648 1.00 41.04 C ATOM 2026 CG MET B 1 25.021 21.775 26.996 1.00 5.33 C ATOM 2027 SD MET B 1 23.786 20.844 26.070 1.00 24.33 S ATOM 2028 CE MET B 1 22.860 20.086 27.404 1.00 72.42 C ATOM 0 H1 MET B 1 26.445 25.510 27.591 1.00 72.34 H new ATOM 0 H2 MET B 1 27.372 24.088 27.537 1.00 72.34 H new ATOM 0 H3 MET B 1 26.081 24.302 26.455 1.00 72.34 H new ATOM 0 HA MET B 1 25.020 24.650 28.943 1.00 63.32 H new ATOM 0 HB2 MET B 1 23.676 22.740 28.355 1.00 41.04 H new ATOM 0 HB3 MET B 1 23.981 23.644 26.884 1.00 41.04 H new ATOM 0 HG2 MET B 1 25.834 22.056 26.326 1.00 5.33 H new ATOM 0 HG3 MET B 1 25.450 21.133 27.766 1.00 5.33 H new ATOM 0 HE1 MET B 1 22.485 19.115 27.081 1.00 72.42 H new ATOM 0 HE2 MET B 1 23.510 19.954 28.269 1.00 72.42 H new ATOM 0 HE3 MET B 1 22.021 20.727 27.675 1.00 72.42 H new ATOM 2038 N ASN B 2 25.583 22.458 30.344 1.00 33.33 N ATOM 2039 CA ASN B 2 26.182 21.586 31.350 1.00 51.30 C ATOM 2040 C ASN B 2 25.906 20.128 31.002 1.00 60.31 C ATOM 2041 O ASN B 2 24.909 19.550 31.436 1.00 61.35 O ATOM 2042 CB ASN B 2 25.635 21.910 32.749 1.00 21.53 C ATOM 2043 CG ASN B 2 26.227 21.020 33.833 1.00 32.42 C ATOM 2044 OD1 ASN B 2 27.368 20.568 33.732 1.00 51.33 O ATOM 2045 ND2 ASN B 2 25.453 20.762 34.876 1.00 42.33 N ATOM 0 H ASN B 2 24.589 22.637 30.486 1.00 33.33 H new ATOM 0 HA ASN B 2 27.259 21.755 31.358 1.00 51.30 H new ATOM 0 HB2 ASN B 2 25.847 22.953 32.985 1.00 21.53 H new ATOM 0 HB3 ASN B 2 24.551 21.798 32.745 1.00 21.53 H new ATOM 0 HD21 ASN B 2 25.797 20.170 35.632 1.00 42.33 H new ATOM 0 HD22 ASN B 2 24.513 21.155 34.923 1.00 42.33 H new ATOM 2052 N ILE B 3 26.765 19.555 30.168 1.00 21.23 N ATOM 2053 CA ILE B 3 26.648 18.157 29.791 1.00 72.42 C ATOM 2054 C ILE B 3 26.921 17.239 30.976 1.00 64.03 C ATOM 2055 O ILE B 3 28.046 17.155 31.471 1.00 40.30 O ATOM 2056 CB ILE B 3 27.610 17.820 28.632 1.00 60.30 C ATOM 2057 CG1 ILE B 3 27.237 18.652 27.400 1.00 50.54 C ATOM 2058 CG2 ILE B 3 27.573 16.327 28.312 1.00 62.10 C ATOM 2059 CD1 ILE B 3 25.902 18.259 26.796 1.00 13.01 C ATOM 0 H ILE B 3 27.553 20.042 29.740 1.00 21.23 H new ATOM 0 HA ILE B 3 25.623 17.993 29.459 1.00 72.42 H new ATOM 0 HB ILE B 3 28.628 18.067 28.932 1.00 60.30 H new ATOM 0 HG12 ILE B 3 27.207 19.706 27.677 1.00 50.54 H new ATOM 0 HG13 ILE B 3 28.016 18.542 26.646 1.00 50.54 H new ATOM 0 HG21 ILE B 3 28.259 16.114 27.492 1.00 62.10 H new ATOM 0 HG22 ILE B 3 27.872 15.759 29.193 1.00 62.10 H new ATOM 0 HG23 ILE B 3 26.562 16.042 28.022 1.00 62.10 H new ATOM 0 HD11 ILE B 3 25.697 18.885 25.928 1.00 13.01 H new ATOM 0 HD12 ILE B 3 25.935 17.214 26.489 1.00 13.01 H new ATOM 0 HD13 ILE B 3 25.114 18.395 27.536 1.00 13.01 H new ATOM 2071 N LEU B 4 25.875 16.557 31.412 1.00 23.11 N ATOM 2072 CA LEU B 4 25.962 15.621 32.526 1.00 23.43 C ATOM 2073 C LEU B 4 26.606 14.321 32.074 1.00 41.14 C ATOM 2074 O LEU B 4 27.484 13.777 32.745 1.00 62.34 O ATOM 2075 CB LEU B 4 24.566 15.322 33.080 1.00 50.44 C ATOM 2076 CG LEU B 4 23.782 16.538 33.582 1.00 31.23 C ATOM 2077 CD1 LEU B 4 22.363 16.132 33.977 1.00 75.25 C ATOM 2078 CD2 LEU B 4 24.503 17.204 34.754 1.00 11.04 C ATOM 0 H LEU B 4 24.942 16.635 31.006 1.00 23.11 H new ATOM 0 HA LEU B 4 26.572 16.076 33.306 1.00 23.43 H new ATOM 0 HB2 LEU B 4 23.982 14.831 32.301 1.00 50.44 H new ATOM 0 HB3 LEU B 4 24.664 14.611 33.900 1.00 50.44 H new ATOM 0 HG LEU B 4 23.718 17.264 32.771 1.00 31.23 H new ATOM 0 HD11 LEU B 4 21.819 17.008 34.332 1.00 75.25 H new ATOM 0 HD12 LEU B 4 21.850 15.712 33.111 1.00 75.25 H new ATOM 0 HD13 LEU B 4 22.406 15.386 34.770 1.00 75.25 H new ATOM 0 HD21 LEU B 4 23.927 18.065 35.093 1.00 11.04 H new ATOM 0 HD22 LEU B 4 24.605 16.490 35.572 1.00 11.04 H new ATOM 0 HD23 LEU B 4 25.492 17.532 34.434 1.00 11.04 H new ATOM 2090 N TYR B 5 26.160 13.829 30.926 1.00 23.42 N ATOM 2091 CA TYR B 5 26.638 12.546 30.410 1.00 44.15 C ATOM 2092 C TYR B 5 27.018 12.696 28.939 1.00 24.15 C ATOM 2093 O TYR B 5 26.214 13.154 28.137 1.00 75.34 O ATOM 2094 CB TYR B 5 25.530 11.484 30.593 1.00 21.21 C ATOM 2095 CG TYR B 5 25.922 10.046 30.255 1.00 10.12 C ATOM 2096 CD1 TYR B 5 26.308 9.684 28.964 1.00 52.12 C ATOM 2097 CD2 TYR B 5 25.883 9.044 31.228 1.00 71.12 C ATOM 2098 CE1 TYR B 5 26.646 8.381 28.654 1.00 75.45 C ATOM 2099 CE2 TYR B 5 26.221 7.738 30.919 1.00 10.31 C ATOM 2100 CZ TYR B 5 26.602 7.412 29.631 1.00 52.51 C ATOM 2101 OH TYR B 5 26.947 6.111 29.321 1.00 25.44 O ATOM 0 H TYR B 5 25.471 14.293 30.334 1.00 23.42 H new ATOM 0 HA TYR B 5 27.523 12.225 30.959 1.00 44.15 H new ATOM 0 HB2 TYR B 5 25.192 11.514 31.629 1.00 21.21 H new ATOM 0 HB3 TYR B 5 24.679 11.764 29.972 1.00 21.21 H new ATOM 0 HD1 TYR B 5 26.343 10.438 28.191 1.00 52.12 H new ATOM 0 HD2 TYR B 5 25.585 9.292 32.236 1.00 71.12 H new ATOM 0 HE1 TYR B 5 26.944 8.123 27.648 1.00 75.45 H new ATOM 0 HE2 TYR B 5 26.187 6.975 31.683 1.00 10.31 H new ATOM 0 HH TYR B 5 26.284 5.734 28.706 1.00 25.44 H new ATOM 2111 N LYS B 6 28.245 12.325 28.588 1.00 30.03 N ATOM 2112 CA LYS B 6 28.682 12.351 27.195 1.00 63.12 C ATOM 2113 C LYS B 6 29.467 11.093 26.852 1.00 12.41 C ATOM 2114 O LYS B 6 30.232 10.581 27.671 1.00 54.02 O ATOM 2115 CB LYS B 6 29.534 13.597 26.894 1.00 22.40 C ATOM 2116 CG LYS B 6 30.122 13.596 25.480 1.00 43.31 C ATOM 2117 CD LYS B 6 30.779 14.922 25.099 1.00 65.01 C ATOM 2118 CE LYS B 6 29.759 16.047 24.957 1.00 23.11 C ATOM 2119 NZ LYS B 6 30.314 17.214 24.216 1.00 52.41 N1+ ATOM 0 H LYS B 6 28.954 12.003 29.247 1.00 30.03 H new ATOM 0 HA LYS B 6 27.786 12.392 26.575 1.00 63.12 H new ATOM 0 HB2 LYS B 6 28.921 14.489 27.026 1.00 22.40 H new ATOM 0 HB3 LYS B 6 30.346 13.658 27.619 1.00 22.40 H new ATOM 0 HG2 LYS B 6 30.859 12.797 25.401 1.00 43.31 H new ATOM 0 HG3 LYS B 6 29.331 13.372 24.765 1.00 43.31 H new ATOM 0 HD2 LYS B 6 31.514 15.193 25.857 1.00 65.01 H new ATOM 0 HD3 LYS B 6 31.319 14.802 24.160 1.00 65.01 H new ATOM 0 HE2 LYS B 6 28.877 15.673 24.436 1.00 23.11 H new ATOM 0 HE3 LYS B 6 29.433 16.368 25.946 1.00 23.11 H new ATOM 0 HZ1 LYS B 6 29.588 17.955 24.142 1.00 52.41 H new ATOM 0 HZ2 LYS B 6 31.140 17.588 24.725 1.00 52.41 H new ATOM 0 HZ3 LYS B 6 30.602 16.915 23.262 1.00 52.41 H new ATOM 2133 N THR B 7 29.263 10.605 25.639 1.00 10.14 N ATOM 2134 CA THR B 7 29.977 9.447 25.130 1.00 42.05 C ATOM 2135 C THR B 7 30.232 9.626 23.634 1.00 63.52 C ATOM 2136 O THR B 7 29.382 10.156 22.909 1.00 72.52 O ATOM 2137 CB THR B 7 29.185 8.140 25.396 1.00 0.35 C ATOM 2138 OG1 THR B 7 29.895 7.007 24.885 1.00 0.11 O ATOM 2139 CG2 THR B 7 27.791 8.189 24.773 1.00 24.11 C ATOM 0 H THR B 7 28.595 11.003 24.978 1.00 10.14 H new ATOM 0 HA THR B 7 30.930 9.365 25.652 1.00 42.05 H new ATOM 0 HB THR B 7 29.076 8.044 26.476 1.00 0.35 H new ATOM 0 HG1 THR B 7 30.475 6.641 25.585 1.00 0.11 H new ATOM 0 HG21 THR B 7 27.267 7.256 24.980 1.00 24.11 H new ATOM 0 HG22 THR B 7 27.231 9.022 25.198 1.00 24.11 H new ATOM 0 HG23 THR B 7 27.879 8.324 23.695 1.00 24.11 H new ATOM 2147 N ALA B 8 31.413 9.218 23.182 1.00 4.15 N ATOM 2148 CA ALA B 8 31.793 9.358 21.783 1.00 51.31 C ATOM 2149 C ALA B 8 31.780 8.005 21.092 1.00 33.43 C ATOM 2150 O ALA B 8 32.282 7.014 21.630 1.00 64.22 O ATOM 2151 CB ALA B 8 33.171 9.998 21.657 1.00 24.44 C ATOM 0 H ALA B 8 32.126 8.785 23.769 1.00 4.15 H new ATOM 0 HA ALA B 8 31.065 10.008 21.298 1.00 51.31 H new ATOM 0 HB1 ALA B 8 33.433 10.092 20.603 1.00 24.44 H new ATOM 0 HB2 ALA B 8 33.157 10.986 22.117 1.00 24.44 H new ATOM 0 HB3 ALA B 8 33.909 9.374 22.160 1.00 24.44 H new ATOM 2157 N ALA B 9 31.210 7.969 19.901 1.00 21.22 N ATOM 2158 CA ALA B 9 31.151 6.754 19.110 1.00 20.22 C ATOM 2159 C ALA B 9 31.797 6.991 17.756 1.00 31.45 C ATOM 2160 O ALA B 9 31.732 8.088 17.216 1.00 1.21 O ATOM 2161 CB ALA B 9 29.710 6.291 18.949 1.00 3.15 C ATOM 0 H ALA B 9 30.777 8.778 19.456 1.00 21.22 H new ATOM 0 HA ALA B 9 31.700 5.967 19.626 1.00 20.22 H new ATOM 0 HB1 ALA B 9 29.685 5.379 18.353 1.00 3.15 H new ATOM 0 HB2 ALA B 9 29.279 6.095 19.931 1.00 3.15 H new ATOM 0 HB3 ALA B 9 29.132 7.067 18.448 1.00 3.15 H new ATOM 2167 N THR B 10 32.401 5.958 17.206 1.00 33.23 N ATOM 2168 CA THR B 10 33.106 6.044 15.953 1.00 64.31 C ATOM 2169 C THR B 10 32.523 5.005 15.019 1.00 63.33 C ATOM 2170 O THR B 10 32.333 3.844 15.396 1.00 30.04 O ATOM 2171 CB THR B 10 34.634 5.834 16.127 1.00 62.43 C ATOM 2172 OG1 THR B 10 35.295 5.978 14.861 1.00 21.44 O ATOM 2173 CG2 THR B 10 34.953 4.465 16.729 1.00 23.24 C ATOM 0 H THR B 10 32.414 5.028 17.624 1.00 33.23 H new ATOM 0 HA THR B 10 32.981 7.044 15.539 1.00 64.31 H new ATOM 0 HB THR B 10 34.997 6.594 16.819 1.00 62.43 H new ATOM 0 HG1 THR B 10 36.259 5.846 14.978 1.00 21.44 H new ATOM 0 HG21 THR B 10 36.032 4.357 16.835 1.00 23.24 H new ATOM 0 HG22 THR B 10 34.482 4.379 17.708 1.00 23.24 H new ATOM 0 HG23 THR B 10 34.572 3.682 16.074 1.00 23.24 H new ATOM 2181 N SER B 11 32.181 5.435 13.829 1.00 64.42 N ATOM 2182 CA SER B 11 31.525 4.574 12.873 1.00 20.54 C ATOM 2183 C SER B 11 32.289 4.577 11.553 1.00 44.42 C ATOM 2184 O SER B 11 32.369 5.598 10.870 1.00 74.01 O ATOM 2185 CB SER B 11 30.085 5.048 12.698 1.00 74.14 C ATOM 2186 OG SER B 11 29.386 5.004 13.933 1.00 11.25 O ATOM 0 H SER B 11 32.348 6.385 13.497 1.00 64.42 H new ATOM 0 HA SER B 11 31.512 3.545 13.233 1.00 20.54 H new ATOM 0 HB2 SER B 11 30.077 6.065 12.307 1.00 74.14 H new ATOM 0 HB3 SER B 11 29.577 4.421 11.965 1.00 74.14 H new ATOM 0 HG SER B 11 28.421 4.975 13.762 1.00 11.25 H new ATOM 2192 N THR B 12 32.868 3.432 11.218 1.00 44.31 N ATOM 2193 CA THR B 12 33.718 3.304 10.044 1.00 14.13 C ATOM 2194 C THR B 12 32.950 2.697 8.869 1.00 53.42 C ATOM 2195 O THR B 12 31.930 2.034 9.058 1.00 32.44 O ATOM 2196 CB THR B 12 34.935 2.412 10.370 1.00 2.30 C ATOM 2197 OG1 THR B 12 35.430 2.728 11.679 1.00 14.42 O ATOM 2198 CG2 THR B 12 36.048 2.602 9.348 1.00 31.31 C ATOM 0 H THR B 12 32.762 2.569 11.751 1.00 44.31 H new ATOM 0 HA THR B 12 34.053 4.302 9.763 1.00 14.13 H new ATOM 0 HB THR B 12 34.611 1.372 10.336 1.00 2.30 H new ATOM 0 HG1 THR B 12 36.201 2.159 11.883 1.00 14.42 H new ATOM 0 HG21 THR B 12 36.891 1.961 9.605 1.00 31.31 H new ATOM 0 HG22 THR B 12 35.680 2.338 8.356 1.00 31.31 H new ATOM 0 HG23 THR B 12 36.370 3.643 9.350 1.00 31.31 H new ATOM 2206 N GLY B 13 33.439 2.933 7.658 1.00 25.11 N ATOM 2207 CA GLY B 13 32.846 2.324 6.485 1.00 71.12 C ATOM 2208 C GLY B 13 33.407 0.938 6.231 1.00 70.11 C ATOM 2209 O GLY B 13 34.272 0.767 5.371 1.00 42.34 O ATOM 0 H GLY B 13 34.238 3.537 7.468 1.00 25.11 H new ATOM 0 HA2 GLY B 13 31.765 2.262 6.614 1.00 71.12 H new ATOM 0 HA3 GLY B 13 33.028 2.956 5.615 1.00 71.12 H new ATOM 2213 N GLY B 14 32.953 -0.043 7.017 1.00 21.54 N ATOM 2214 CA GLY B 14 33.352 -1.433 6.806 1.00 31.21 C ATOM 2215 C GLY B 14 32.863 -1.982 5.472 1.00 73.40 C ATOM 2216 O GLY B 14 33.074 -1.362 4.429 1.00 13.01 O ATOM 0 H GLY B 14 32.314 0.100 7.799 1.00 21.54 H new ATOM 0 HA2 GLY B 14 34.439 -1.507 6.850 1.00 31.21 H new ATOM 0 HA3 GLY B 14 32.958 -2.048 7.615 1.00 31.21 H new ATOM 2220 N ARG B 15 32.228 -3.158 5.488 1.00 12.42 N ATOM 2221 CA ARG B 15 31.620 -3.697 4.268 1.00 62.32 C ATOM 2222 C ARG B 15 30.557 -2.733 3.760 1.00 53.41 C ATOM 2223 O ARG B 15 30.585 -2.308 2.604 1.00 34.04 O ATOM 2224 CB ARG B 15 31.008 -5.088 4.499 1.00 22.32 C ATOM 2225 CG ARG B 15 32.041 -6.184 4.739 1.00 23.03 C ATOM 2226 CD ARG B 15 31.413 -7.576 4.726 1.00 52.22 C ATOM 2227 NE ARG B 15 30.813 -7.902 3.426 1.00 65.14 N ATOM 2228 CZ ARG B 15 31.432 -8.590 2.461 1.00 55.23 C ATOM 2229 NH1 ARG B 15 32.686 -8.999 2.623 1.00 21.14 N1+ ATOM 2230 NH2 ARG B 15 30.798 -8.857 1.329 1.00 51.30 N ATOM 0 H ARG B 15 32.122 -3.745 6.315 1.00 12.42 H new ATOM 0 HA ARG B 15 32.405 -3.808 3.520 1.00 62.32 H new ATOM 0 HB2 ARG B 15 30.336 -5.041 5.356 1.00 22.32 H new ATOM 0 HB3 ARG B 15 30.402 -5.356 3.633 1.00 22.32 H new ATOM 0 HG2 ARG B 15 32.814 -6.128 3.972 1.00 23.03 H new ATOM 0 HG3 ARG B 15 32.531 -6.016 5.698 1.00 23.03 H new ATOM 0 HD2 ARG B 15 32.173 -8.318 4.970 1.00 52.22 H new ATOM 0 HD3 ARG B 15 30.650 -7.636 5.502 1.00 52.22 H new ATOM 0 HE ARG B 15 29.861 -7.582 3.247 1.00 65.14 H new ATOM 0 HH11 ARG B 15 33.183 -8.789 3.488 1.00 21.14 H new ATOM 0 HH12 ARG B 15 33.151 -9.523 1.882 1.00 21.14 H new ATOM 0 HH21 ARG B 15 29.839 -8.538 1.194 1.00 51.30 H new ATOM 0 HH22 ARG B 15 31.269 -9.382 0.592 1.00 51.30 H new ATOM 2244 N ASP B 16 29.616 -2.392 4.634 1.00 43.23 N ATOM 2245 CA ASP B 16 28.639 -1.351 4.332 1.00 64.45 C ATOM 2246 C ASP B 16 28.653 -0.300 5.424 1.00 45.23 C ATOM 2247 O ASP B 16 28.641 0.904 5.140 1.00 44.01 O ATOM 2248 CB ASP B 16 27.244 -1.952 4.223 1.00 65.33 C ATOM 2249 CG ASP B 16 26.166 -0.926 3.880 1.00 54.31 C ATOM 2250 OD1 ASP B 16 26.442 -0.006 3.078 1.00 24.34 O ATOM 2251 OD2 ASP B 16 25.037 -1.046 4.401 1.00 12.23 O1- ATOM 0 H ASP B 16 29.509 -2.819 5.554 1.00 43.23 H new ATOM 0 HA ASP B 16 28.903 -0.890 3.380 1.00 64.45 H new ATOM 0 HB2 ASP B 16 27.250 -2.730 3.460 1.00 65.33 H new ATOM 0 HB3 ASP B 16 26.989 -2.434 5.167 1.00 65.33 H new ATOM 2256 N GLY B 17 28.715 -0.755 6.675 1.00 22.41 N ATOM 2257 CA GLY B 17 28.916 0.167 7.771 1.00 74.22 C ATOM 2258 C GLY B 17 29.423 -0.511 9.023 1.00 32.04 C ATOM 2259 O GLY B 17 29.257 -1.718 9.205 1.00 11.23 O ATOM 0 H GLY B 17 28.630 -1.736 6.943 1.00 22.41 H new ATOM 0 HA2 GLY B 17 29.626 0.936 7.467 1.00 74.22 H new ATOM 0 HA3 GLY B 17 27.975 0.671 7.992 1.00 74.22 H new ATOM 2263 N ARG B 18 30.053 0.275 9.874 1.00 41.41 N ATOM 2264 CA ARG B 18 30.537 -0.175 11.170 1.00 45.30 C ATOM 2265 C ARG B 18 30.175 0.866 12.217 1.00 1.35 C ATOM 2266 O ARG B 18 30.142 2.057 11.921 1.00 0.54 O ATOM 2267 CB ARG B 18 32.060 -0.409 11.127 1.00 74.40 C ATOM 2268 CG ARG B 18 32.764 -0.257 12.476 1.00 53.04 C ATOM 2269 CD ARG B 18 34.208 -0.735 12.418 1.00 43.11 C ATOM 2270 NE ARG B 18 34.988 -0.311 13.584 1.00 64.22 N ATOM 2271 CZ ARG B 18 35.087 -1.003 14.722 1.00 63.34 C ATOM 2272 NH1 ARG B 18 34.410 -2.136 14.883 1.00 23.22 N1+ ATOM 2273 NH2 ARG B 18 35.865 -0.554 15.700 1.00 54.01 N ATOM 0 H ARG B 18 30.247 1.258 9.685 1.00 41.41 H new ATOM 0 HA ARG B 18 30.067 -1.124 11.429 1.00 45.30 H new ATOM 0 HB2 ARG B 18 32.250 -1.411 10.743 1.00 74.40 H new ATOM 0 HB3 ARG B 18 32.503 0.292 10.420 1.00 74.40 H new ATOM 0 HG2 ARG B 18 32.739 0.789 12.783 1.00 53.04 H new ATOM 0 HG3 ARG B 18 32.224 -0.824 13.234 1.00 53.04 H new ATOM 0 HD2 ARG B 18 34.225 -1.823 12.350 1.00 43.11 H new ATOM 0 HD3 ARG B 18 34.678 -0.352 11.512 1.00 43.11 H new ATOM 0 HE ARG B 18 35.490 0.575 13.522 1.00 64.22 H new ATOM 0 HH11 ARG B 18 33.810 -2.482 14.134 1.00 23.22 H new ATOM 0 HH12 ARG B 18 34.491 -2.659 15.755 1.00 23.22 H new ATOM 0 HH21 ARG B 18 36.384 0.316 15.580 1.00 54.01 H new ATOM 0 HH22 ARG B 18 35.944 -1.079 16.571 1.00 54.01 H new ATOM 2287 N ALA B 19 29.904 0.413 13.429 1.00 25.44 N ATOM 2288 CA ALA B 19 29.492 1.298 14.512 1.00 25.14 C ATOM 2289 C ALA B 19 30.082 0.815 15.828 1.00 64.21 C ATOM 2290 O ALA B 19 29.887 -0.336 16.222 1.00 14.23 O ATOM 2291 CB ALA B 19 27.970 1.361 14.597 1.00 63.23 C ATOM 0 H ALA B 19 29.962 -0.571 13.692 1.00 25.44 H new ATOM 0 HA ALA B 19 29.864 2.302 14.309 1.00 25.14 H new ATOM 0 HB1 ALA B 19 27.678 2.026 15.410 1.00 63.23 H new ATOM 0 HB2 ALA B 19 27.568 1.740 13.657 1.00 63.23 H new ATOM 0 HB3 ALA B 19 27.574 0.363 14.785 1.00 63.23 H new ATOM 2297 N THR B 20 30.816 1.687 16.498 1.00 63.15 N ATOM 2298 CA THR B 20 31.466 1.336 17.752 1.00 31.24 C ATOM 2299 C THR B 20 31.395 2.488 18.746 1.00 2.34 C ATOM 2300 O THR B 20 31.900 3.572 18.478 1.00 75.11 O ATOM 2301 CB THR B 20 32.947 0.957 17.490 1.00 15.15 C ATOM 2302 OG1 THR B 20 33.002 -0.111 16.538 1.00 53.32 O ATOM 2303 CG2 THR B 20 33.669 0.531 18.767 1.00 14.05 C ATOM 0 H THR B 20 30.978 2.647 16.194 1.00 63.15 H new ATOM 0 HA THR B 20 30.942 0.482 18.181 1.00 31.24 H new ATOM 0 HB THR B 20 33.451 1.843 17.104 1.00 15.15 H new ATOM 0 HG1 THR B 20 33.386 -0.907 16.961 1.00 53.32 H new ATOM 0 HG21 THR B 20 34.702 0.275 18.533 1.00 14.05 H new ATOM 0 HG22 THR B 20 33.652 1.351 19.485 1.00 14.05 H new ATOM 0 HG23 THR B 20 33.169 -0.337 19.195 1.00 14.05 H new ATOM 2311 N SER B 21 30.768 2.251 19.896 1.00 21.31 N ATOM 2312 CA SER B 21 30.805 3.226 20.969 1.00 32.44 C ATOM 2313 C SER B 21 32.221 3.188 21.498 1.00 11.23 C ATOM 2314 O SER B 21 32.605 2.208 22.164 1.00 42.34 O ATOM 2315 CB SER B 21 29.785 2.903 22.075 1.00 31.41 C ATOM 2316 OG SER B 21 29.628 3.979 22.987 1.00 74.21 O ATOM 0 H SER B 21 30.238 1.404 20.102 1.00 21.31 H new ATOM 0 HA SER B 21 30.534 4.219 20.609 1.00 32.44 H new ATOM 0 HB2 SER B 21 28.822 2.669 21.622 1.00 31.41 H new ATOM 0 HB3 SER B 21 30.107 2.014 22.616 1.00 31.41 H new ATOM 0 HG SER B 21 30.410 4.026 23.575 1.00 74.21 H new ATOM 2322 N HIS B 22 32.970 4.250 21.173 1.00 5.04 N ATOM 2323 CA HIS B 22 34.434 4.260 21.217 1.00 32.51 C ATOM 2324 C HIS B 22 34.965 4.014 22.617 1.00 35.24 C ATOM 2325 O HIS B 22 36.066 3.488 22.789 1.00 73.12 O ATOM 2326 CB HIS B 22 34.959 5.596 20.670 1.00 3.43 C ATOM 2327 CG HIS B 22 36.453 5.670 20.552 1.00 12.52 C ATOM 2328 ND1 HIS B 22 37.212 6.633 21.182 1.00 31.42 N ATOM 2329 CD2 HIS B 22 37.325 4.910 19.848 1.00 34.34 C ATOM 2330 CE1 HIS B 22 38.482 6.462 20.868 1.00 23.12 C ATOM 2331 NE2 HIS B 22 38.578 5.423 20.063 1.00 12.42 N ATOM 0 H HIS B 22 32.569 5.137 20.868 1.00 5.04 H new ATOM 0 HA HIS B 22 34.793 3.443 20.591 1.00 32.51 H new ATOM 0 HB2 HIS B 22 34.519 5.771 19.688 1.00 3.43 H new ATOM 0 HB3 HIS B 22 34.617 6.401 21.320 1.00 3.43 H new ATOM 0 HD2 HIS B 22 37.079 4.058 19.232 1.00 34.34 H new ATOM 0 HE1 HIS B 22 39.305 7.071 21.213 1.00 23.12 H new ATOM 0 HE2 HIS B 22 39.444 5.060 19.665 1.00 12.42 H new ATOM 2340 N ASP B 23 34.166 4.356 23.613 1.00 44.12 N ATOM 2341 CA ASP B 23 34.528 4.113 25.007 1.00 0.24 C ATOM 2342 C ASP B 23 34.237 2.658 25.381 1.00 62.21 C ATOM 2343 O ASP B 23 34.089 2.313 26.558 1.00 40.03 O ATOM 2344 CB ASP B 23 33.793 5.095 25.933 1.00 12.04 C ATOM 2345 CG ASP B 23 32.278 5.007 25.853 1.00 5.31 C ATOM 2346 OD1 ASP B 23 31.748 4.472 24.853 1.00 63.54 O ATOM 2347 OD2 ASP B 23 31.611 5.508 26.786 1.00 33.23 O1- ATOM 0 H ASP B 23 33.259 4.804 23.486 1.00 44.12 H new ATOM 0 HA ASP B 23 35.597 4.283 25.132 1.00 0.24 H new ATOM 0 HB2 ASP B 23 34.103 4.910 26.961 1.00 12.04 H new ATOM 0 HB3 ASP B 23 34.101 6.111 25.685 1.00 12.04 H new ATOM 2352 N GLN B 24 34.163 1.818 24.343 1.00 3.35 N ATOM 2353 CA GLN B 24 34.100 0.364 24.471 1.00 64.10 C ATOM 2354 C GLN B 24 32.750 -0.102 25.000 1.00 11.02 C ATOM 2355 O GLN B 24 32.638 -1.190 25.573 1.00 0.33 O ATOM 2356 CB GLN B 24 35.245 -0.154 25.355 1.00 41.34 C ATOM 2357 CG GLN B 24 36.635 0.178 24.822 1.00 71.43 C ATOM 2358 CD GLN B 24 36.857 -0.303 23.395 1.00 54.02 C ATOM 2359 OE1 GLN B 24 37.225 -1.455 23.169 1.00 54.01 O ATOM 2360 NE2 GLN B 24 36.671 0.581 22.426 1.00 4.32 N ATOM 0 H GLN B 24 34.145 2.138 23.375 1.00 3.35 H new ATOM 0 HA GLN B 24 34.217 -0.057 23.472 1.00 64.10 H new ATOM 0 HB2 GLN B 24 35.139 0.268 26.354 1.00 41.34 H new ATOM 0 HB3 GLN B 24 35.153 -1.236 25.455 1.00 41.34 H new ATOM 0 HG2 GLN B 24 36.785 1.257 24.863 1.00 71.43 H new ATOM 0 HG3 GLN B 24 37.384 -0.273 25.472 1.00 71.43 H new ATOM 0 HE21 GLN B 24 36.365 1.528 22.651 1.00 4.32 H new ATOM 0 HE22 GLN B 24 36.834 0.315 21.455 1.00 4.32 H new ATOM 2369 N LYS B 25 31.718 0.704 24.780 1.00 34.11 N ATOM 2370 CA LYS B 25 30.365 0.314 25.156 1.00 33.22 C ATOM 2371 C LYS B 25 29.665 -0.417 24.012 1.00 40.01 C ATOM 2372 O LYS B 25 28.719 -1.170 24.248 1.00 34.42 O ATOM 2373 CB LYS B 25 29.535 1.525 25.599 1.00 20.21 C ATOM 2374 CG LYS B 25 30.048 2.181 26.878 1.00 22.43 C ATOM 2375 CD LYS B 25 29.082 3.235 27.418 1.00 41.25 C ATOM 2376 CE LYS B 25 28.773 4.315 26.387 1.00 25.52 C ATOM 2377 NZ LYS B 25 28.036 5.458 26.989 1.00 5.33 N1+ ATOM 0 H LYS B 25 31.791 1.624 24.347 1.00 34.11 H new ATOM 0 HA LYS B 25 30.449 -0.368 26.002 1.00 33.22 H new ATOM 0 HB2 LYS B 25 29.530 2.264 24.798 1.00 20.21 H new ATOM 0 HB3 LYS B 25 28.502 1.212 25.750 1.00 20.21 H new ATOM 0 HG2 LYS B 25 30.208 1.415 27.637 1.00 22.43 H new ATOM 0 HG3 LYS B 25 31.015 2.644 26.683 1.00 22.43 H new ATOM 0 HD2 LYS B 25 28.154 2.752 27.725 1.00 41.25 H new ATOM 0 HD3 LYS B 25 29.511 3.696 28.308 1.00 41.25 H new ATOM 0 HE2 LYS B 25 29.703 4.674 25.946 1.00 25.52 H new ATOM 0 HE3 LYS B 25 28.181 3.887 25.578 1.00 25.52 H new ATOM 0 HZ1 LYS B 25 28.384 6.349 26.581 1.00 5.33 H new ATOM 0 HZ2 LYS B 25 27.020 5.360 26.790 1.00 5.33 H new ATOM 0 HZ3 LYS B 25 28.188 5.466 28.018 1.00 5.33 H new ATOM 2391 N LEU B 26 30.119 -0.208 22.770 1.00 71.52 N ATOM 2392 CA LEU B 26 29.494 -0.880 21.628 1.00 40.15 C ATOM 2393 C LEU B 26 30.516 -1.137 20.536 1.00 62.33 C ATOM 2394 O LEU B 26 31.395 -0.317 20.323 1.00 50.50 O ATOM 2395 CB LEU B 26 28.339 -0.026 21.084 1.00 64.14 C ATOM 2396 CG LEU B 26 27.748 -0.475 19.738 1.00 70.42 C ATOM 2397 CD1 LEU B 26 27.082 -1.844 19.850 1.00 23.12 C ATOM 2398 CD2 LEU B 26 26.769 0.571 19.222 1.00 31.22 C ATOM 0 H LEU B 26 30.898 0.406 22.535 1.00 71.52 H new ATOM 0 HA LEU B 26 29.099 -1.839 21.962 1.00 40.15 H new ATOM 0 HB2 LEU B 26 27.539 -0.017 21.825 1.00 64.14 H new ATOM 0 HB3 LEU B 26 28.690 1.001 20.980 1.00 64.14 H new ATOM 0 HG LEU B 26 28.564 -0.572 19.021 1.00 70.42 H new ATOM 0 HD11 LEU B 26 26.675 -2.131 18.880 1.00 23.12 H new ATOM 0 HD12 LEU B 26 27.819 -2.582 20.167 1.00 23.12 H new ATOM 0 HD13 LEU B 26 26.276 -1.798 20.583 1.00 23.12 H new ATOM 0 HD21 LEU B 26 26.356 0.243 18.268 1.00 31.22 H new ATOM 0 HD22 LEU B 26 25.961 0.700 19.942 1.00 31.22 H new ATOM 0 HD23 LEU B 26 27.288 1.520 19.086 1.00 31.22 H new ATOM 2410 N ASP B 27 30.388 -2.272 19.855 1.00 22.45 N ATOM 2411 CA ASP B 27 31.278 -2.627 18.750 1.00 53.33 C ATOM 2412 C ASP B 27 30.609 -3.651 17.829 1.00 42.15 C ATOM 2413 O ASP B 27 30.547 -4.839 18.151 1.00 22.10 O ATOM 2414 CB ASP B 27 32.608 -3.175 19.295 1.00 24.13 C ATOM 2415 CG ASP B 27 33.468 -3.840 18.228 1.00 15.20 C ATOM 2416 OD1 ASP B 27 34.130 -3.124 17.450 1.00 3.40 O ATOM 2417 OD2 ASP B 27 33.507 -5.088 18.176 1.00 21.30 O1- ATOM 0 H ASP B 27 29.669 -2.969 20.051 1.00 22.45 H new ATOM 0 HA ASP B 27 31.485 -1.730 18.167 1.00 53.33 H new ATOM 0 HB2 ASP B 27 33.171 -2.359 19.749 1.00 24.13 H new ATOM 0 HB3 ASP B 27 32.399 -3.896 20.085 1.00 24.13 H new ATOM 2422 N VAL B 28 30.065 -3.172 16.707 1.00 42.42 N ATOM 2423 CA VAL B 28 29.453 -4.038 15.694 1.00 61.03 C ATOM 2424 C VAL B 28 29.585 -3.446 14.294 1.00 62.05 C ATOM 2425 O VAL B 28 30.120 -2.351 14.108 1.00 71.42 O ATOM 2426 CB VAL B 28 27.947 -4.302 15.967 1.00 35.33 C ATOM 2427 CG1 VAL B 28 27.765 -5.367 17.039 1.00 44.41 C ATOM 2428 CG2 VAL B 28 27.225 -3.008 16.347 1.00 74.12 C ATOM 0 H VAL B 28 30.036 -2.179 16.475 1.00 42.42 H new ATOM 0 HA VAL B 28 29.996 -4.981 15.754 1.00 61.03 H new ATOM 0 HB VAL B 28 27.499 -4.677 15.047 1.00 35.33 H new ATOM 0 HG11 VAL B 28 26.701 -5.532 17.211 1.00 44.41 H new ATOM 0 HG12 VAL B 28 28.228 -6.297 16.710 1.00 44.41 H new ATOM 0 HG13 VAL B 28 28.235 -5.035 17.965 1.00 44.41 H new ATOM 0 HG21 VAL B 28 26.172 -3.220 16.533 1.00 74.12 H new ATOM 0 HG22 VAL B 28 27.676 -2.591 17.247 1.00 74.12 H new ATOM 0 HG23 VAL B 28 27.312 -2.290 15.532 1.00 74.12 H new ATOM 2438 N LYS B 29 29.090 -4.198 13.320 1.00 64.31 N ATOM 2439 CA LYS B 29 29.047 -3.777 11.927 1.00 24.45 C ATOM 2440 C LYS B 29 27.664 -4.068 11.358 1.00 31.35 C ATOM 2441 O LYS B 29 27.015 -5.041 11.755 1.00 25.23 O ATOM 2442 CB LYS B 29 30.139 -4.507 11.123 1.00 11.40 C ATOM 2443 CG LYS B 29 29.724 -4.930 9.713 1.00 53.23 C ATOM 2444 CD LYS B 29 30.855 -5.633 8.965 1.00 3.25 C ATOM 2445 CE LYS B 29 31.375 -6.852 9.723 1.00 32.51 C ATOM 2446 NZ LYS B 29 32.429 -7.577 8.964 1.00 50.55 N1+ ATOM 0 H LYS B 29 28.703 -5.128 13.477 1.00 64.31 H new ATOM 0 HA LYS B 29 29.237 -2.706 11.858 1.00 24.45 H new ATOM 0 HB2 LYS B 29 31.012 -3.858 11.050 1.00 11.40 H new ATOM 0 HB3 LYS B 29 30.447 -5.394 11.677 1.00 11.40 H new ATOM 0 HG2 LYS B 29 28.863 -5.595 9.774 1.00 53.23 H new ATOM 0 HG3 LYS B 29 29.409 -4.051 9.150 1.00 53.23 H new ATOM 0 HD2 LYS B 29 30.501 -5.942 7.981 1.00 3.25 H new ATOM 0 HD3 LYS B 29 31.673 -4.931 8.803 1.00 3.25 H new ATOM 0 HE2 LYS B 29 31.776 -6.535 10.686 1.00 32.51 H new ATOM 0 HE3 LYS B 29 30.547 -7.530 9.930 1.00 32.51 H new ATOM 0 HZ1 LYS B 29 32.753 -8.397 9.516 1.00 50.55 H new ATOM 0 HZ2 LYS B 29 32.041 -7.903 8.056 1.00 50.55 H new ATOM 0 HZ3 LYS B 29 33.231 -6.939 8.789 1.00 50.55 H new ATOM 2460 N LEU B 30 27.207 -3.219 10.446 1.00 60.42 N ATOM 2461 CA LEU B 30 25.922 -3.396 9.808 1.00 43.12 C ATOM 2462 C LEU B 30 26.061 -3.300 8.286 1.00 50.11 C ATOM 2463 O LEU B 30 27.084 -2.807 7.762 1.00 72.32 O ATOM 2464 CB LEU B 30 24.880 -2.395 10.367 1.00 4.40 C ATOM 2465 CG LEU B 30 25.313 -0.923 10.550 1.00 61.23 C ATOM 2466 CD1 LEU B 30 26.318 -0.756 11.691 1.00 42.23 C ATOM 2467 CD2 LEU B 30 25.848 -0.341 9.248 1.00 52.40 C ATOM 0 H LEU B 30 27.719 -2.394 10.133 1.00 60.42 H new ATOM 0 HA LEU B 30 25.553 -4.395 10.038 1.00 43.12 H new ATOM 0 HB2 LEU B 30 24.015 -2.409 9.704 1.00 4.40 H new ATOM 0 HB3 LEU B 30 24.545 -2.767 11.335 1.00 4.40 H new ATOM 0 HG LEU B 30 24.423 -0.359 10.828 1.00 61.23 H new ATOM 0 HD11 LEU B 30 26.594 0.295 11.782 1.00 42.23 H new ATOM 0 HD12 LEU B 30 25.869 -1.096 12.624 1.00 42.23 H new ATOM 0 HD13 LEU B 30 27.209 -1.348 11.481 1.00 42.23 H new ATOM 0 HD21 LEU B 30 26.145 0.696 9.408 1.00 52.40 H new ATOM 0 HD22 LEU B 30 26.711 -0.919 8.919 1.00 52.40 H new ATOM 0 HD23 LEU B 30 25.071 -0.383 8.485 1.00 52.40 H new ATOM 2479 N SER B 31 25.036 -3.774 7.586 1.00 24.22 N ATOM 2480 CA SER B 31 25.075 -3.864 6.141 1.00 21.40 C ATOM 2481 C SER B 31 23.711 -4.225 5.571 1.00 43.34 C ATOM 2482 O SER B 31 23.093 -5.203 6.001 1.00 1.33 O ATOM 2483 CB SER B 31 26.107 -4.919 5.725 1.00 62.35 C ATOM 2484 OG SER B 31 25.819 -6.168 6.340 1.00 3.34 O ATOM 0 H SER B 31 24.165 -4.102 8.004 1.00 24.22 H new ATOM 0 HA SER B 31 25.358 -2.889 5.744 1.00 21.40 H new ATOM 0 HB2 SER B 31 26.104 -5.032 4.641 1.00 62.35 H new ATOM 0 HB3 SER B 31 27.107 -4.590 6.008 1.00 62.35 H new ATOM 0 HG SER B 31 24.852 -6.249 6.479 1.00 3.34 H new ATOM 2490 N ALA B 32 23.251 -3.437 4.607 1.00 40.52 N ATOM 2491 CA ALA B 32 22.028 -3.746 3.881 1.00 75.13 C ATOM 2492 C ALA B 32 22.277 -4.899 2.900 1.00 31.44 C ATOM 2493 O ALA B 32 23.106 -4.776 1.989 1.00 42.31 O ATOM 2494 CB ALA B 32 21.527 -2.508 3.143 1.00 44.15 C ATOM 0 H ALA B 32 23.710 -2.576 4.310 1.00 40.52 H new ATOM 0 HA ALA B 32 21.261 -4.056 4.591 1.00 75.13 H new ATOM 0 HB1 ALA B 32 20.612 -2.752 2.604 1.00 44.15 H new ATOM 0 HB2 ALA B 32 21.325 -1.713 3.861 1.00 44.15 H new ATOM 0 HB3 ALA B 32 22.286 -2.173 2.436 1.00 44.15 H new ATOM 2500 N PRO B 33 21.586 -6.042 3.081 1.00 64.54 N ATOM 2501 CA PRO B 33 21.735 -7.205 2.194 1.00 71.30 C ATOM 2502 C PRO B 33 21.351 -6.869 0.752 1.00 44.54 C ATOM 2503 O PRO B 33 20.496 -6.012 0.508 1.00 60.20 O ATOM 2504 CB PRO B 33 20.776 -8.253 2.793 1.00 5.21 C ATOM 2505 CG PRO B 33 19.825 -7.470 3.637 1.00 53.32 C ATOM 2506 CD PRO B 33 20.607 -6.294 4.157 1.00 34.02 C ATOM 0 HA PRO B 33 22.766 -7.555 2.142 1.00 71.30 H new ATOM 0 HB2 PRO B 33 20.250 -8.800 2.010 1.00 5.21 H new ATOM 0 HB3 PRO B 33 21.317 -8.989 3.388 1.00 5.21 H new ATOM 0 HG2 PRO B 33 18.965 -7.140 3.054 1.00 53.32 H new ATOM 0 HG3 PRO B 33 19.440 -8.076 4.457 1.00 53.32 H new ATOM 0 HD2 PRO B 33 19.967 -5.429 4.331 1.00 34.02 H new ATOM 0 HD3 PRO B 33 21.098 -6.522 5.103 1.00 34.02 H new ATOM 2514 N ARG B 34 21.993 -7.537 -0.201 1.00 0.10 N ATOM 2515 CA ARG B 34 21.742 -7.295 -1.618 1.00 23.43 C ATOM 2516 C ARG B 34 20.414 -7.907 -2.063 1.00 64.55 C ATOM 2517 O ARG B 34 20.382 -8.872 -2.831 1.00 62.12 O ATOM 2518 CB ARG B 34 22.897 -7.818 -2.472 1.00 33.02 C ATOM 2519 CG ARG B 34 24.085 -6.873 -2.504 1.00 11.34 C ATOM 2520 CD ARG B 34 25.080 -7.264 -3.576 1.00 70.25 C ATOM 2521 NE ARG B 34 25.602 -8.618 -3.376 1.00 41.11 N ATOM 2522 CZ ARG B 34 26.882 -8.963 -3.524 1.00 71.43 C ATOM 2523 NH1 ARG B 34 27.785 -8.063 -3.901 1.00 70.13 N1+ ATOM 2524 NH2 ARG B 34 27.253 -10.217 -3.296 1.00 21.32 N ATOM 0 H ARG B 34 22.695 -8.254 -0.016 1.00 0.10 H new ATOM 0 HA ARG B 34 21.672 -6.217 -1.762 1.00 23.43 H new ATOM 0 HB2 ARG B 34 23.219 -8.785 -2.085 1.00 33.02 H new ATOM 0 HB3 ARG B 34 22.544 -7.983 -3.490 1.00 33.02 H new ATOM 0 HG2 ARG B 34 23.737 -5.856 -2.684 1.00 11.34 H new ATOM 0 HG3 ARG B 34 24.578 -6.874 -1.532 1.00 11.34 H new ATOM 0 HD2 ARG B 34 24.602 -7.201 -4.554 1.00 70.25 H new ATOM 0 HD3 ARG B 34 25.907 -6.554 -3.579 1.00 70.25 H new ATOM 0 HE ARG B 34 24.942 -9.347 -3.105 1.00 41.11 H new ATOM 0 HH11 ARG B 34 27.501 -7.100 -4.080 1.00 70.13 H new ATOM 0 HH12 ARG B 34 28.762 -8.336 -4.012 1.00 70.13 H new ATOM 0 HH21 ARG B 34 26.561 -10.910 -3.010 1.00 21.32 H new ATOM 0 HH22 ARG B 34 28.230 -10.488 -3.407 1.00 21.32 H new ATOM 2538 N GLU B 35 19.320 -7.346 -1.559 1.00 42.24 N ATOM 2539 CA GLU B 35 17.980 -7.775 -1.936 1.00 63.02 C ATOM 2540 C GLU B 35 17.391 -6.821 -2.973 1.00 12.03 C ATOM 2541 O GLU B 35 16.841 -7.248 -3.988 1.00 54.43 O ATOM 2542 CB GLU B 35 17.074 -7.826 -0.697 1.00 72.41 C ATOM 2543 CG GLU B 35 17.548 -8.793 0.387 1.00 31.33 C ATOM 2544 CD GLU B 35 17.606 -10.237 -0.093 1.00 34.33 C ATOM 2545 OE1 GLU B 35 18.691 -10.861 -0.016 1.00 72.42 O ATOM 2546 OE2 GLU B 35 16.568 -10.756 -0.549 1.00 24.25 O1- ATOM 0 H GLU B 35 19.338 -6.584 -0.881 1.00 42.24 H new ATOM 0 HA GLU B 35 18.043 -8.772 -2.371 1.00 63.02 H new ATOM 0 HB2 GLU B 35 17.005 -6.825 -0.270 1.00 72.41 H new ATOM 0 HB3 GLU B 35 16.069 -8.111 -1.007 1.00 72.41 H new ATOM 0 HG2 GLU B 35 18.537 -8.489 0.731 1.00 31.33 H new ATOM 0 HG3 GLU B 35 16.878 -8.727 1.244 1.00 31.33 H new ATOM 2553 N LEU B 36 17.519 -5.522 -2.708 1.00 53.04 N ATOM 2554 CA LEU B 36 16.946 -4.488 -3.575 1.00 1.52 C ATOM 2555 C LEU B 36 18.041 -3.634 -4.209 1.00 52.10 C ATOM 2556 O LEU B 36 17.752 -2.657 -4.903 1.00 30.14 O ATOM 2557 CB LEU B 36 16.010 -3.581 -2.763 1.00 63.52 C ATOM 2558 CG LEU B 36 14.900 -4.298 -1.980 1.00 20.23 C ATOM 2559 CD1 LEU B 36 14.066 -3.288 -1.200 1.00 52.43 C ATOM 2560 CD2 LEU B 36 14.020 -5.128 -2.916 1.00 15.21 C ATOM 0 H LEU B 36 18.017 -5.157 -1.896 1.00 53.04 H new ATOM 0 HA LEU B 36 16.386 -4.987 -4.366 1.00 1.52 H new ATOM 0 HB2 LEU B 36 16.612 -3.006 -2.059 1.00 63.52 H new ATOM 0 HB3 LEU B 36 15.546 -2.867 -3.443 1.00 63.52 H new ATOM 0 HG LEU B 36 15.366 -4.981 -1.270 1.00 20.23 H new ATOM 0 HD11 LEU B 36 13.283 -3.810 -0.650 1.00 52.43 H new ATOM 0 HD12 LEU B 36 14.706 -2.752 -0.499 1.00 52.43 H new ATOM 0 HD13 LEU B 36 13.612 -2.579 -1.892 1.00 52.43 H new ATOM 0 HD21 LEU B 36 13.242 -5.626 -2.337 1.00 15.21 H new ATOM 0 HD22 LEU B 36 13.559 -4.475 -3.657 1.00 15.21 H new ATOM 0 HD23 LEU B 36 14.631 -5.876 -3.422 1.00 15.21 H new ATOM 2572 N GLY B 37 19.290 -4.018 -3.976 1.00 22.45 N ATOM 2573 CA GLY B 37 20.420 -3.200 -4.386 1.00 25.41 C ATOM 2574 C GLY B 37 21.188 -2.687 -3.186 1.00 51.22 C ATOM 2575 O GLY B 37 21.306 -1.479 -2.985 1.00 30.40 O ATOM 0 H GLY B 37 19.544 -4.888 -3.507 1.00 22.45 H new ATOM 0 HA2 GLY B 37 21.084 -3.785 -5.023 1.00 25.41 H new ATOM 0 HA3 GLY B 37 20.066 -2.358 -4.982 1.00 25.41 H new ATOM 2579 N GLY B 38 21.694 -3.616 -2.371 1.00 53.33 N ATOM 2580 CA GLY B 38 22.411 -3.247 -1.167 1.00 54.12 C ATOM 2581 C GLY B 38 23.913 -3.322 -1.353 1.00 61.21 C ATOM 2582 O GLY B 38 24.437 -2.908 -2.386 1.00 64.12 O ATOM 0 H GLY B 38 21.617 -4.621 -2.529 1.00 53.33 H new ATOM 0 HA2 GLY B 38 22.132 -2.234 -0.875 1.00 54.12 H new ATOM 0 HA3 GLY B 38 22.114 -3.907 -0.352 1.00 54.12 H new ATOM 2586 N ALA B 39 24.599 -3.884 -0.367 1.00 3.10 N ATOM 2587 CA ALA B 39 26.063 -3.946 -0.374 1.00 71.25 C ATOM 2588 C ALA B 39 26.556 -5.378 -0.573 1.00 4.43 C ATOM 2589 O ALA B 39 27.403 -5.642 -1.426 1.00 31.41 O ATOM 2590 CB ALA B 39 26.617 -3.364 0.923 1.00 12.41 C ATOM 0 H ALA B 39 24.167 -4.307 0.454 1.00 3.10 H new ATOM 0 HA ALA B 39 26.426 -3.351 -1.213 1.00 71.25 H new ATOM 0 HB1 ALA B 39 27.706 -3.414 0.909 1.00 12.41 H new ATOM 0 HB2 ALA B 39 26.303 -2.325 1.019 1.00 12.41 H new ATOM 0 HB3 ALA B 39 26.238 -3.937 1.770 1.00 12.41 H new ATOM 2596 N GLY B 40 26.011 -6.303 0.216 1.00 23.34 N ATOM 2597 CA GLY B 40 26.431 -7.694 0.144 1.00 31.44 C ATOM 2598 C GLY B 40 26.985 -8.189 1.464 1.00 1.42 C ATOM 2599 O GLY B 40 28.204 -8.245 1.655 1.00 53.13 O ATOM 0 H GLY B 40 25.284 -6.113 0.906 1.00 23.34 H new ATOM 0 HA2 GLY B 40 25.583 -8.314 -0.149 1.00 31.44 H new ATOM 0 HA3 GLY B 40 27.189 -7.804 -0.631 1.00 31.44 H new ATOM 2603 N ALA B 41 26.084 -8.520 2.384 1.00 13.10 N ATOM 2604 CA ALA B 41 26.450 -9.040 3.694 1.00 45.11 C ATOM 2605 C ALA B 41 25.195 -9.376 4.493 1.00 24.05 C ATOM 2606 O ALA B 41 24.080 -9.064 4.068 1.00 14.44 O ATOM 2607 CB ALA B 41 27.298 -8.025 4.441 1.00 11.53 C ATOM 0 H ALA B 41 25.078 -8.434 2.240 1.00 13.10 H new ATOM 0 HA ALA B 41 27.034 -9.951 3.563 1.00 45.11 H new ATOM 0 HB1 ALA B 41 27.566 -8.424 5.419 1.00 11.53 H new ATOM 0 HB2 ALA B 41 28.205 -7.819 3.872 1.00 11.53 H new ATOM 0 HB3 ALA B 41 26.733 -7.102 4.568 1.00 11.53 H new ATOM 2613 N GLU B 42 25.382 -10.000 5.653 1.00 15.20 N ATOM 2614 CA GLU B 42 24.269 -10.430 6.496 1.00 53.20 C ATOM 2615 C GLU B 42 24.277 -9.702 7.842 1.00 74.14 C ATOM 2616 O GLU B 42 23.754 -10.216 8.834 1.00 53.42 O ATOM 2617 CB GLU B 42 24.349 -11.946 6.714 1.00 21.14 C ATOM 2618 CG GLU B 42 25.661 -12.413 7.334 1.00 73.23 C ATOM 2619 CD GLU B 42 25.717 -13.920 7.509 1.00 72.34 C ATOM 2620 OE1 GLU B 42 26.014 -14.626 6.523 1.00 61.42 O ATOM 2621 OE2 GLU B 42 25.463 -14.405 8.632 1.00 61.14 O1- ATOM 0 H GLU B 42 26.302 -10.221 6.033 1.00 15.20 H new ATOM 0 HA GLU B 42 23.336 -10.181 5.990 1.00 53.20 H new ATOM 0 HB2 GLU B 42 23.525 -12.255 7.357 1.00 21.14 H new ATOM 0 HB3 GLU B 42 24.212 -12.449 5.757 1.00 21.14 H new ATOM 0 HG2 GLU B 42 26.491 -12.092 6.704 1.00 73.23 H new ATOM 0 HG3 GLU B 42 25.792 -11.933 8.304 1.00 73.23 H new ATOM 2628 N GLY B 43 24.859 -8.502 7.863 1.00 33.24 N ATOM 2629 CA GLY B 43 24.918 -7.708 9.085 1.00 35.43 C ATOM 2630 C GLY B 43 23.553 -7.191 9.520 1.00 2.13 C ATOM 2631 O GLY B 43 22.559 -7.913 9.452 1.00 72.12 O ATOM 0 H GLY B 43 25.293 -8.063 7.051 1.00 33.24 H new ATOM 0 HA2 GLY B 43 25.344 -8.313 9.885 1.00 35.43 H new ATOM 0 HA3 GLY B 43 25.589 -6.863 8.932 1.00 35.43 H new ATOM 2635 N THR B 44 23.497 -5.941 9.973 1.00 33.20 N ATOM 2636 CA THR B 44 22.239 -5.338 10.395 1.00 33.40 C ATOM 2637 C THR B 44 21.807 -4.276 9.385 1.00 35.03 C ATOM 2638 O THR B 44 22.641 -3.539 8.866 1.00 4.14 O ATOM 2639 CB THR B 44 22.387 -4.706 11.799 1.00 13.15 C ATOM 2640 OG1 THR B 44 22.952 -5.669 12.704 1.00 1.03 O ATOM 2641 CG2 THR B 44 21.044 -4.226 12.338 1.00 34.45 C ATOM 0 H THR B 44 24.308 -5.328 10.057 1.00 33.20 H new ATOM 0 HA THR B 44 21.477 -6.116 10.443 1.00 33.40 H new ATOM 0 HB THR B 44 23.047 -3.842 11.714 1.00 13.15 H new ATOM 0 HG1 THR B 44 22.312 -6.397 12.848 1.00 1.03 H new ATOM 0 HG21 THR B 44 21.184 -3.787 13.326 1.00 34.45 H new ATOM 0 HG22 THR B 44 20.628 -3.477 11.664 1.00 34.45 H new ATOM 0 HG23 THR B 44 20.358 -5.070 12.410 1.00 34.45 H new ATOM 2649 N ASN B 45 20.518 -4.213 9.089 1.00 4.01 N ATOM 2650 CA ASN B 45 20.003 -3.233 8.136 1.00 51.43 C ATOM 2651 C ASN B 45 19.930 -1.848 8.800 1.00 21.43 C ATOM 2652 O ASN B 45 19.651 -1.751 9.995 1.00 31.35 O ATOM 2653 CB ASN B 45 18.622 -3.659 7.611 1.00 71.14 C ATOM 2654 CG ASN B 45 18.612 -5.042 6.975 1.00 11.33 C ATOM 2655 OD1 ASN B 45 19.327 -5.947 7.402 1.00 33.20 O ATOM 2656 ND2 ASN B 45 17.801 -5.212 5.941 1.00 55.34 N ATOM 0 H ASN B 45 19.809 -4.825 9.492 1.00 4.01 H new ATOM 0 HA ASN B 45 20.682 -3.179 7.285 1.00 51.43 H new ATOM 0 HB2 ASN B 45 17.908 -3.642 8.435 1.00 71.14 H new ATOM 0 HB3 ASN B 45 18.280 -2.929 6.878 1.00 71.14 H new ATOM 0 HD21 ASN B 45 17.756 -6.117 5.472 1.00 55.34 H new ATOM 0 HD22 ASN B 45 17.222 -4.438 5.614 1.00 55.34 H new ATOM 2663 N PRO B 46 20.193 -0.762 8.038 1.00 54.41 N ATOM 2664 CA PRO B 46 20.261 0.610 8.586 1.00 2.04 C ATOM 2665 C PRO B 46 18.971 1.051 9.291 1.00 14.41 C ATOM 2666 O PRO B 46 18.970 1.337 10.498 1.00 12.32 O ATOM 2667 CB PRO B 46 20.525 1.483 7.346 1.00 21.50 C ATOM 2668 CG PRO B 46 21.108 0.551 6.337 1.00 13.22 C ATOM 2669 CD PRO B 46 20.453 -0.781 6.584 1.00 31.44 C ATOM 0 HA PRO B 46 21.029 0.689 9.356 1.00 2.04 H new ATOM 0 HB2 PRO B 46 19.604 1.937 6.979 1.00 21.50 H new ATOM 0 HB3 PRO B 46 21.212 2.297 7.575 1.00 21.50 H new ATOM 0 HG2 PRO B 46 20.913 0.901 5.323 1.00 13.22 H new ATOM 0 HG3 PRO B 46 22.190 0.481 6.448 1.00 13.22 H new ATOM 0 HD2 PRO B 46 19.532 -0.890 6.011 1.00 31.44 H new ATOM 0 HD3 PRO B 46 21.104 -1.609 6.302 1.00 31.44 H new ATOM 2677 N GLU B 47 17.874 1.092 8.541 1.00 51.12 N ATOM 2678 CA GLU B 47 16.593 1.549 9.078 1.00 42.23 C ATOM 2679 C GLU B 47 16.111 0.579 10.151 1.00 51.31 C ATOM 2680 O GLU B 47 15.434 0.965 11.106 1.00 51.34 O ATOM 2681 CB GLU B 47 15.540 1.692 7.963 1.00 43.35 C ATOM 2682 CG GLU B 47 15.134 0.379 7.287 1.00 13.13 C ATOM 2683 CD GLU B 47 16.275 -0.292 6.541 1.00 41.12 C ATOM 2684 OE1 GLU B 47 16.536 0.081 5.382 1.00 53.12 O ATOM 2685 OE2 GLU B 47 16.924 -1.186 7.120 1.00 73.03 O1- ATOM 0 H GLU B 47 17.845 0.815 7.560 1.00 51.12 H new ATOM 0 HA GLU B 47 16.735 2.534 9.524 1.00 42.23 H new ATOM 0 HB2 GLU B 47 14.649 2.158 8.383 1.00 43.35 H new ATOM 0 HB3 GLU B 47 15.927 2.371 7.203 1.00 43.35 H new ATOM 0 HG2 GLU B 47 14.750 -0.307 8.042 1.00 13.13 H new ATOM 0 HG3 GLU B 47 14.319 0.574 6.590 1.00 13.13 H new ATOM 2692 N GLN B 48 16.482 -0.683 9.975 1.00 65.22 N ATOM 2693 CA GLN B 48 16.217 -1.728 10.955 1.00 23.21 C ATOM 2694 C GLN B 48 16.952 -1.426 12.261 1.00 44.13 C ATOM 2695 O GLN B 48 16.420 -1.640 13.351 1.00 15.51 O ATOM 2696 CB GLN B 48 16.675 -3.073 10.388 1.00 21.32 C ATOM 2697 CG GLN B 48 16.530 -4.255 11.335 1.00 64.34 C ATOM 2698 CD GLN B 48 17.308 -5.468 10.855 1.00 23.41 C ATOM 2699 OE1 GLN B 48 18.479 -5.642 11.190 1.00 3.40 O ATOM 2700 NE2 GLN B 48 16.669 -6.322 10.080 1.00 12.54 N ATOM 0 H GLN B 48 16.977 -1.011 9.146 1.00 65.22 H new ATOM 0 HA GLN B 48 15.148 -1.768 11.165 1.00 23.21 H new ATOM 0 HB2 GLN B 48 16.105 -3.281 9.482 1.00 21.32 H new ATOM 0 HB3 GLN B 48 17.721 -2.989 10.094 1.00 21.32 H new ATOM 0 HG2 GLN B 48 16.880 -3.970 12.327 1.00 64.34 H new ATOM 0 HG3 GLN B 48 15.476 -4.515 11.431 1.00 64.34 H new ATOM 0 HE21 GLN B 48 15.698 -6.148 9.821 1.00 12.54 H new ATOM 0 HE22 GLN B 48 17.146 -7.157 9.740 1.00 12.54 H new ATOM 2709 N LEU B 49 18.177 -0.917 12.136 1.00 25.52 N ATOM 2710 CA LEU B 49 18.997 -0.567 13.291 1.00 12.42 C ATOM 2711 C LEU B 49 18.355 0.603 14.037 1.00 73.15 C ATOM 2712 O LEU B 49 18.189 0.550 15.258 1.00 22.33 O ATOM 2713 CB LEU B 49 20.437 -0.230 12.837 1.00 25.41 C ATOM 2714 CG LEU B 49 21.516 -0.126 13.942 1.00 55.21 C ATOM 2715 CD1 LEU B 49 21.383 1.165 14.748 1.00 20.42 C ATOM 2716 CD2 LEU B 49 21.464 -1.344 14.866 1.00 31.54 C ATOM 0 H LEU B 49 18.625 -0.737 11.237 1.00 25.52 H new ATOM 0 HA LEU B 49 19.055 -1.415 13.973 1.00 12.42 H new ATOM 0 HB2 LEU B 49 20.754 -0.991 12.124 1.00 25.41 H new ATOM 0 HB3 LEU B 49 20.410 0.718 12.300 1.00 25.41 H new ATOM 0 HG LEU B 49 22.487 -0.104 13.446 1.00 55.21 H new ATOM 0 HD11 LEU B 49 22.159 1.198 15.513 1.00 20.42 H new ATOM 0 HD12 LEU B 49 21.492 2.022 14.083 1.00 20.42 H new ATOM 0 HD13 LEU B 49 20.403 1.197 15.224 1.00 20.42 H new ATOM 0 HD21 LEU B 49 22.231 -1.250 15.635 1.00 31.54 H new ATOM 0 HD22 LEU B 49 20.483 -1.402 15.337 1.00 31.54 H new ATOM 0 HD23 LEU B 49 21.642 -2.249 14.285 1.00 31.54 H new ATOM 2728 N PHE B 50 17.987 1.652 13.296 1.00 74.53 N ATOM 2729 CA PHE B 50 17.288 2.799 13.887 1.00 13.24 C ATOM 2730 C PHE B 50 15.995 2.347 14.562 1.00 54.12 C ATOM 2731 O PHE B 50 15.683 2.781 15.667 1.00 20.22 O ATOM 2732 CB PHE B 50 16.987 3.877 12.829 1.00 14.34 C ATOM 2733 CG PHE B 50 15.984 4.928 13.273 1.00 61.31 C ATOM 2734 CD1 PHE B 50 16.311 5.882 14.230 1.00 53.13 C ATOM 2735 CD2 PHE B 50 14.711 4.962 12.720 1.00 53.22 C ATOM 2736 CE1 PHE B 50 15.391 6.838 14.625 1.00 14.14 C ATOM 2737 CE2 PHE B 50 13.789 5.914 13.111 1.00 22.12 C ATOM 2738 CZ PHE B 50 14.126 6.852 14.066 1.00 62.30 C ATOM 0 H PHE B 50 18.159 1.732 12.294 1.00 74.53 H new ATOM 0 HA PHE B 50 17.945 3.237 14.639 1.00 13.24 H new ATOM 0 HB2 PHE B 50 17.919 4.373 12.558 1.00 14.34 H new ATOM 0 HB3 PHE B 50 16.611 3.391 11.929 1.00 14.34 H new ATOM 0 HD1 PHE B 50 17.297 5.877 14.671 1.00 53.13 H new ATOM 0 HD2 PHE B 50 14.437 4.233 11.972 1.00 53.22 H new ATOM 0 HE1 PHE B 50 15.661 7.573 15.369 1.00 14.14 H new ATOM 0 HE2 PHE B 50 12.804 5.924 12.669 1.00 22.12 H new ATOM 0 HZ PHE B 50 13.405 7.594 14.375 1.00 62.30 H new ATOM 2748 N ALA B 51 15.254 1.474 13.891 1.00 24.13 N ATOM 2749 CA ALA B 51 13.995 0.958 14.423 1.00 31.22 C ATOM 2750 C ALA B 51 14.217 0.216 15.738 1.00 63.22 C ATOM 2751 O ALA B 51 13.577 0.518 16.744 1.00 61.14 O ATOM 2752 CB ALA B 51 13.339 0.038 13.407 1.00 4.33 C ATOM 0 H ALA B 51 15.503 1.106 12.973 1.00 24.13 H new ATOM 0 HA ALA B 51 13.336 1.804 14.619 1.00 31.22 H new ATOM 0 HB1 ALA B 51 12.401 -0.342 13.812 1.00 4.33 H new ATOM 0 HB2 ALA B 51 13.140 0.592 12.490 1.00 4.33 H new ATOM 0 HB3 ALA B 51 14.005 -0.797 13.189 1.00 4.33 H new ATOM 2758 N ALA B 52 15.134 -0.746 15.720 1.00 2.41 N ATOM 2759 CA ALA B 52 15.442 -1.544 16.904 1.00 55.02 C ATOM 2760 C ALA B 52 15.885 -0.646 18.050 1.00 53.11 C ATOM 2761 O ALA B 52 15.376 -0.745 19.172 1.00 74.31 O ATOM 2762 CB ALA B 52 16.527 -2.566 16.582 1.00 43.35 C ATOM 0 H ALA B 52 15.680 -0.993 14.895 1.00 2.41 H new ATOM 0 HA ALA B 52 14.541 -2.075 17.210 1.00 55.02 H new ATOM 0 HB1 ALA B 52 16.748 -3.155 17.472 1.00 43.35 H new ATOM 0 HB2 ALA B 52 16.180 -3.226 15.787 1.00 43.35 H new ATOM 0 HB3 ALA B 52 17.429 -2.048 16.256 1.00 43.35 H new ATOM 2768 N GLY B 53 16.827 0.240 17.745 1.00 41.34 N ATOM 2769 CA GLY B 53 17.341 1.164 18.733 1.00 4.13 C ATOM 2770 C GLY B 53 16.257 2.055 19.297 1.00 15.42 C ATOM 2771 O GLY B 53 16.042 2.075 20.501 1.00 73.22 O ATOM 0 H GLY B 53 17.246 0.333 16.820 1.00 41.34 H new ATOM 0 HA2 GLY B 53 17.808 0.605 19.544 1.00 4.13 H new ATOM 0 HA3 GLY B 53 18.118 1.781 18.282 1.00 4.13 H new ATOM 2775 N TYR B 54 15.562 2.766 18.413 1.00 15.35 N ATOM 2776 CA TYR B 54 14.490 3.681 18.802 1.00 21.24 C ATOM 2777 C TYR B 54 13.441 2.966 19.657 1.00 2.44 C ATOM 2778 O TYR B 54 13.057 3.467 20.715 1.00 55.40 O ATOM 2779 CB TYR B 54 13.855 4.301 17.541 1.00 22.10 C ATOM 2780 CG TYR B 54 12.552 5.049 17.770 1.00 24.43 C ATOM 2781 CD1 TYR B 54 12.278 5.683 18.978 1.00 33.43 C ATOM 2782 CD2 TYR B 54 11.590 5.112 16.769 1.00 20.22 C ATOM 2783 CE1 TYR B 54 11.086 6.343 19.184 1.00 54.12 C ATOM 2784 CE2 TYR B 54 10.400 5.777 16.965 1.00 11.21 C ATOM 2785 CZ TYR B 54 10.150 6.389 18.174 1.00 15.31 C ATOM 2786 OH TYR B 54 8.956 7.041 18.380 1.00 73.14 O ATOM 0 H TYR B 54 15.725 2.725 17.407 1.00 15.35 H new ATOM 0 HA TYR B 54 14.912 4.481 19.410 1.00 21.24 H new ATOM 0 HB2 TYR B 54 14.574 4.986 17.092 1.00 22.10 H new ATOM 0 HB3 TYR B 54 13.676 3.507 16.816 1.00 22.10 H new ATOM 0 HD1 TYR B 54 13.013 5.657 19.769 1.00 33.43 H new ATOM 0 HD2 TYR B 54 11.779 4.631 15.821 1.00 20.22 H new ATOM 0 HE1 TYR B 54 10.887 6.821 20.132 1.00 54.12 H new ATOM 0 HE2 TYR B 54 9.666 5.819 16.174 1.00 11.21 H new ATOM 0 HH TYR B 54 8.244 6.584 17.886 1.00 73.14 H new ATOM 2796 N SER B 55 12.993 1.801 19.213 1.00 62.44 N ATOM 2797 CA SER B 55 11.992 1.044 19.953 1.00 11.44 C ATOM 2798 C SER B 55 12.497 0.735 21.363 1.00 45.34 C ATOM 2799 O SER B 55 11.815 1.017 22.348 1.00 23.33 O ATOM 2800 CB SER B 55 11.634 -0.239 19.199 1.00 71.55 C ATOM 2801 OG SER B 55 11.122 0.066 17.915 1.00 22.42 O ATOM 0 H SER B 55 13.305 1.360 18.348 1.00 62.44 H new ATOM 0 HA SER B 55 11.087 1.645 20.044 1.00 11.44 H new ATOM 0 HB2 SER B 55 12.517 -0.870 19.104 1.00 71.55 H new ATOM 0 HB3 SER B 55 10.896 -0.807 19.766 1.00 71.55 H new ATOM 0 HG SER B 55 11.862 0.286 17.312 1.00 22.42 H new ATOM 2807 N ALA B 56 13.714 0.200 21.453 1.00 72.32 N ATOM 2808 CA ALA B 56 14.339 -0.081 22.744 1.00 72.14 C ATOM 2809 C ALA B 56 14.460 1.197 23.571 1.00 34.31 C ATOM 2810 O ALA B 56 14.228 1.199 24.783 1.00 51.54 O ATOM 2811 CB ALA B 56 15.708 -0.714 22.536 1.00 11.32 C ATOM 0 H ALA B 56 14.287 -0.048 20.646 1.00 72.32 H new ATOM 0 HA ALA B 56 13.709 -0.783 23.291 1.00 72.14 H new ATOM 0 HB1 ALA B 56 16.165 -0.919 23.504 1.00 11.32 H new ATOM 0 HB2 ALA B 56 15.597 -1.646 21.982 1.00 11.32 H new ATOM 0 HB3 ALA B 56 16.343 -0.030 21.973 1.00 11.32 H new ATOM 2817 N CYS B 57 14.802 2.285 22.890 1.00 24.02 N ATOM 2818 CA CYS B 57 14.931 3.595 23.514 1.00 54.22 C ATOM 2819 C CYS B 57 13.587 4.040 24.071 1.00 22.14 C ATOM 2820 O CYS B 57 13.518 4.675 25.118 1.00 1.03 O ATOM 2821 CB CYS B 57 15.451 4.629 22.503 1.00 72.40 C ATOM 2822 SG CYS B 57 17.042 4.200 21.758 1.00 42.35 S ATOM 0 H CYS B 57 14.998 2.283 21.889 1.00 24.02 H new ATOM 0 HA CYS B 57 15.649 3.520 24.330 1.00 54.22 H new ATOM 0 HB2 CYS B 57 14.712 4.750 21.711 1.00 72.40 H new ATOM 0 HB3 CYS B 57 15.544 5.594 23.002 1.00 72.40 H new ATOM 0 HG CYS B 57 17.000 2.977 21.318 1.00 42.35 H new ATOM 2828 N PHE B 58 12.522 3.698 23.355 1.00 34.03 N ATOM 2829 CA PHE B 58 11.173 4.098 23.732 1.00 42.11 C ATOM 2830 C PHE B 58 10.808 3.509 25.095 1.00 1.15 C ATOM 2831 O PHE B 58 10.098 4.134 25.885 1.00 52.32 O ATOM 2832 CB PHE B 58 10.172 3.646 22.658 1.00 13.13 C ATOM 2833 CG PHE B 58 8.836 4.341 22.737 1.00 50.11 C ATOM 2834 CD1 PHE B 58 7.759 3.751 23.387 1.00 2.44 C ATOM 2835 CD2 PHE B 58 8.661 5.588 22.155 1.00 25.34 C ATOM 2836 CE1 PHE B 58 6.536 4.394 23.453 1.00 5.05 C ATOM 2837 CE2 PHE B 58 7.441 6.233 22.219 1.00 25.32 C ATOM 2838 CZ PHE B 58 6.378 5.636 22.868 1.00 52.03 C ATOM 0 H PHE B 58 12.569 3.140 22.503 1.00 34.03 H new ATOM 0 HA PHE B 58 11.132 5.185 23.808 1.00 42.11 H new ATOM 0 HB2 PHE B 58 10.605 3.824 21.674 1.00 13.13 H new ATOM 0 HB3 PHE B 58 10.017 2.571 22.749 1.00 13.13 H new ATOM 0 HD1 PHE B 58 7.878 2.780 23.845 1.00 2.44 H new ATOM 0 HD2 PHE B 58 9.488 6.060 21.646 1.00 25.34 H new ATOM 0 HE1 PHE B 58 5.706 3.926 23.961 1.00 5.05 H new ATOM 0 HE2 PHE B 58 7.319 7.204 21.762 1.00 25.32 H new ATOM 0 HZ PHE B 58 5.424 6.140 22.918 1.00 52.03 H new ATOM 2848 N LEU B 59 11.312 2.307 25.370 1.00 60.43 N ATOM 2849 CA LEU B 59 11.089 1.654 26.659 1.00 11.12 C ATOM 2850 C LEU B 59 11.796 2.417 27.779 1.00 60.54 C ATOM 2851 O LEU B 59 11.221 2.633 28.846 1.00 64.41 O ATOM 2852 CB LEU B 59 11.561 0.188 26.632 1.00 33.41 C ATOM 2853 CG LEU B 59 10.606 -0.816 25.953 1.00 23.42 C ATOM 2854 CD1 LEU B 59 9.226 -0.784 26.605 1.00 12.45 C ATOM 2855 CD2 LEU B 59 10.498 -0.556 24.455 1.00 24.24 C ATOM 0 H LEU B 59 11.878 1.765 24.717 1.00 60.43 H new ATOM 0 HA LEU B 59 10.016 1.661 26.853 1.00 11.12 H new ATOM 0 HB2 LEU B 59 12.523 0.146 26.122 1.00 33.41 H new ATOM 0 HB3 LEU B 59 11.730 -0.138 27.658 1.00 33.41 H new ATOM 0 HG LEU B 59 11.027 -1.812 26.090 1.00 23.42 H new ATOM 0 HD11 LEU B 59 8.572 -1.501 26.108 1.00 12.45 H new ATOM 0 HD12 LEU B 59 9.316 -1.045 27.659 1.00 12.45 H new ATOM 0 HD13 LEU B 59 8.804 0.217 26.514 1.00 12.45 H new ATOM 0 HD21 LEU B 59 9.818 -1.281 24.008 1.00 24.24 H new ATOM 0 HD22 LEU B 59 10.117 0.451 24.287 1.00 24.24 H new ATOM 0 HD23 LEU B 59 11.482 -0.652 23.997 1.00 24.24 H new ATOM 2867 N SER B 60 13.040 2.821 27.534 1.00 44.21 N ATOM 2868 CA SER B 60 13.800 3.605 28.507 1.00 2.40 C ATOM 2869 C SER B 60 13.164 4.988 28.688 1.00 73.23 C ATOM 2870 O SER B 60 13.040 5.496 29.809 1.00 65.55 O ATOM 2871 CB SER B 60 15.257 3.738 28.053 1.00 63.24 C ATOM 2872 OG SER B 60 15.836 2.461 27.834 1.00 24.13 O ATOM 0 H SER B 60 13.544 2.619 26.671 1.00 44.21 H new ATOM 0 HA SER B 60 13.781 3.089 29.467 1.00 2.40 H new ATOM 0 HB2 SER B 60 15.305 4.326 27.136 1.00 63.24 H new ATOM 0 HB3 SER B 60 15.830 4.277 28.807 1.00 63.24 H new ATOM 0 HG SER B 60 15.571 1.853 28.556 1.00 24.13 H new ATOM 2878 N ALA B 61 12.734 5.574 27.575 1.00 21.42 N ATOM 2879 CA ALA B 61 12.059 6.864 27.588 1.00 31.00 C ATOM 2880 C ALA B 61 10.811 6.783 28.453 1.00 42.41 C ATOM 2881 O ALA B 61 10.563 7.653 29.284 1.00 44.10 O ATOM 2882 CB ALA B 61 11.702 7.298 26.169 1.00 4.34 C ATOM 0 H ALA B 61 12.843 5.170 26.645 1.00 21.42 H new ATOM 0 HA ALA B 61 12.732 7.610 28.009 1.00 31.00 H new ATOM 0 HB1 ALA B 61 11.198 8.264 26.200 1.00 4.34 H new ATOM 0 HB2 ALA B 61 12.612 7.382 25.574 1.00 4.34 H new ATOM 0 HB3 ALA B 61 11.041 6.558 25.718 1.00 4.34 H new ATOM 2888 N MET B 62 10.035 5.716 28.265 1.00 64.12 N ATOM 2889 CA MET B 62 8.843 5.491 29.074 1.00 62.41 C ATOM 2890 C MET B 62 9.219 5.063 30.487 1.00 51.11 C ATOM 2891 O MET B 62 8.451 5.269 31.424 1.00 53.32 O ATOM 2892 CB MET B 62 7.911 4.451 28.441 1.00 4.11 C ATOM 2893 CG MET B 62 7.173 4.953 27.207 1.00 71.00 C ATOM 2894 SD MET B 62 5.642 4.045 26.917 1.00 51.43 S ATOM 2895 CE MET B 62 4.753 4.406 28.434 1.00 33.40 C ATOM 0 H MET B 62 10.211 4.998 27.562 1.00 64.12 H new ATOM 0 HA MET B 62 8.306 6.438 29.121 1.00 62.41 H new ATOM 0 HB2 MET B 62 8.495 3.571 28.170 1.00 4.11 H new ATOM 0 HB3 MET B 62 7.180 4.132 29.184 1.00 4.11 H new ATOM 0 HG2 MET B 62 6.949 6.013 27.325 1.00 71.00 H new ATOM 0 HG3 MET B 62 7.820 4.860 26.335 1.00 71.00 H new ATOM 0 HE1 MET B 62 4.703 3.508 29.049 1.00 33.40 H new ATOM 0 HE2 MET B 62 5.272 5.193 28.982 1.00 33.40 H new ATOM 0 HE3 MET B 62 3.743 4.737 28.194 1.00 33.40 H new ATOM 2905 N LYS B 63 10.397 4.460 30.633 1.00 72.03 N ATOM 2906 CA LYS B 63 10.919 4.103 31.951 1.00 43.00 C ATOM 2907 C LYS B 63 11.055 5.381 32.779 1.00 70.35 C ATOM 2908 O LYS B 63 10.742 5.409 33.971 1.00 23.43 O ATOM 2909 CB LYS B 63 12.286 3.400 31.821 1.00 31.31 C ATOM 2910 CG LYS B 63 12.798 2.748 33.109 1.00 20.13 C ATOM 2911 CD LYS B 63 12.200 1.357 33.338 1.00 10.22 C ATOM 2912 CE LYS B 63 12.669 0.353 32.281 1.00 1.23 C ATOM 2913 NZ LYS B 63 12.187 -1.029 32.565 1.00 55.13 N1+ ATOM 0 H LYS B 63 11.008 4.208 29.856 1.00 72.03 H new ATOM 0 HA LYS B 63 10.235 3.412 32.443 1.00 43.00 H new ATOM 0 HB2 LYS B 63 12.214 2.636 31.047 1.00 31.31 H new ATOM 0 HB3 LYS B 63 13.022 4.128 31.481 1.00 31.31 H new ATOM 0 HG2 LYS B 63 13.884 2.671 33.067 1.00 20.13 H new ATOM 0 HG3 LYS B 63 12.557 3.388 33.958 1.00 20.13 H new ATOM 0 HD2 LYS B 63 12.481 0.999 34.329 1.00 10.22 H new ATOM 0 HD3 LYS B 63 11.112 1.422 33.320 1.00 10.22 H new ATOM 0 HE2 LYS B 63 12.311 0.667 31.300 1.00 1.23 H new ATOM 0 HE3 LYS B 63 13.758 0.355 32.238 1.00 1.23 H new ATOM 0 HZ1 LYS B 63 12.396 -1.643 31.752 1.00 55.13 H new ATOM 0 HZ2 LYS B 63 12.668 -1.398 33.410 1.00 55.13 H new ATOM 0 HZ3 LYS B 63 11.160 -1.011 32.731 1.00 55.13 H new ATOM 2927 N PHE B 64 11.517 6.441 32.115 1.00 21.33 N ATOM 2928 CA PHE B 64 11.607 7.766 32.725 1.00 32.24 C ATOM 2929 C PHE B 64 10.224 8.427 32.823 1.00 14.21 C ATOM 2930 O PHE B 64 9.846 8.937 33.883 1.00 73.11 O ATOM 2931 CB PHE B 64 12.565 8.658 31.918 1.00 30.41 C ATOM 2932 CG PHE B 64 12.623 10.084 32.411 1.00 63.34 C ATOM 2933 CD1 PHE B 64 13.195 10.389 33.641 1.00 43.42 C ATOM 2934 CD2 PHE B 64 12.098 11.119 31.648 1.00 31.33 C ATOM 2935 CE1 PHE B 64 13.234 11.694 34.097 1.00 55.11 C ATOM 2936 CE2 PHE B 64 12.138 12.423 32.100 1.00 33.41 C ATOM 2937 CZ PHE B 64 12.706 12.712 33.325 1.00 14.04 C ATOM 0 H PHE B 64 11.837 6.406 31.147 1.00 21.33 H new ATOM 0 HA PHE B 64 11.997 7.647 33.736 1.00 32.24 H new ATOM 0 HB2 PHE B 64 13.566 8.229 31.955 1.00 30.41 H new ATOM 0 HB3 PHE B 64 12.256 8.656 30.873 1.00 30.41 H new ATOM 0 HD1 PHE B 64 13.613 9.599 34.247 1.00 43.42 H new ATOM 0 HD2 PHE B 64 11.653 10.901 30.689 1.00 31.33 H new ATOM 0 HE1 PHE B 64 13.677 11.918 35.056 1.00 55.11 H new ATOM 0 HE2 PHE B 64 11.725 13.217 31.495 1.00 33.41 H new ATOM 0 HZ PHE B 64 12.738 13.732 33.679 1.00 14.04 H new ATOM 2947 N VAL B 65 9.473 8.410 31.716 1.00 75.05 N ATOM 2948 CA VAL B 65 8.157 9.058 31.651 1.00 40.30 C ATOM 2949 C VAL B 65 7.240 8.559 32.765 1.00 43.44 C ATOM 2950 O VAL B 65 6.602 9.349 33.461 1.00 35.52 O ATOM 2951 CB VAL B 65 7.466 8.831 30.278 1.00 54.45 C ATOM 2952 CG1 VAL B 65 5.988 9.221 30.334 1.00 70.43 C ATOM 2953 CG2 VAL B 65 8.183 9.614 29.177 1.00 51.21 C ATOM 0 H VAL B 65 9.755 7.953 30.849 1.00 75.05 H new ATOM 0 HA VAL B 65 8.331 10.126 31.779 1.00 40.30 H new ATOM 0 HB VAL B 65 7.527 7.768 30.045 1.00 54.45 H new ATOM 0 HG11 VAL B 65 5.530 9.052 29.360 1.00 70.43 H new ATOM 0 HG12 VAL B 65 5.480 8.615 31.084 1.00 70.43 H new ATOM 0 HG13 VAL B 65 5.900 10.275 30.598 1.00 70.43 H new ATOM 0 HG21 VAL B 65 7.684 9.441 28.224 1.00 51.21 H new ATOM 0 HG22 VAL B 65 8.158 10.678 29.412 1.00 51.21 H new ATOM 0 HG23 VAL B 65 9.219 9.281 29.109 1.00 51.21 H new ATOM 2963 N ALA B 66 7.190 7.248 32.940 1.00 30.22 N ATOM 2964 CA ALA B 66 6.370 6.651 33.981 1.00 74.13 C ATOM 2965 C ALA B 66 6.778 7.194 35.350 1.00 44.35 C ATOM 2966 O ALA B 66 5.937 7.389 36.230 1.00 34.23 O ATOM 2967 CB ALA B 66 6.487 5.131 33.937 1.00 23.44 C ATOM 0 H ALA B 66 7.708 6.577 32.374 1.00 30.22 H new ATOM 0 HA ALA B 66 5.327 6.916 33.808 1.00 74.13 H new ATOM 0 HB1 ALA B 66 5.868 4.696 34.722 1.00 23.44 H new ATOM 0 HB2 ALA B 66 6.150 4.768 32.966 1.00 23.44 H new ATOM 0 HB3 ALA B 66 7.526 4.841 34.092 1.00 23.44 H new ATOM 2973 N GLY B 67 8.068 7.496 35.488 1.00 23.35 N ATOM 2974 CA GLY B 67 8.603 7.992 36.744 1.00 73.24 C ATOM 2975 C GLY B 67 8.149 9.408 37.045 1.00 45.13 C ATOM 2976 O GLY B 67 8.085 9.817 38.207 1.00 75.04 O ATOM 0 H GLY B 67 8.758 7.404 34.742 1.00 23.35 H new ATOM 0 HA2 GLY B 67 8.291 7.333 37.554 1.00 73.24 H new ATOM 0 HA3 GLY B 67 9.692 7.962 36.710 1.00 73.24 H new ATOM 2980 N GLN B 68 7.819 10.161 35.997 1.00 2.12 N ATOM 2981 CA GLN B 68 7.338 11.532 36.160 1.00 44.13 C ATOM 2982 C GLN B 68 5.817 11.554 36.076 1.00 40.32 C ATOM 2983 O GLN B 68 5.179 12.531 36.458 1.00 64.50 O ATOM 2984 CB GLN B 68 7.943 12.476 35.106 1.00 33.05 C ATOM 2985 CG GLN B 68 7.678 12.048 33.665 1.00 52.44 C ATOM 2986 CD GLN B 68 7.931 13.146 32.643 1.00 54.32 C ATOM 2987 OE1 GLN B 68 7.282 13.188 31.596 1.00 53.51 O ATOM 2988 NE2 GLN B 68 8.866 14.040 32.931 1.00 53.21 N ATOM 0 H GLN B 68 7.876 9.846 35.028 1.00 2.12 H new ATOM 0 HA GLN B 68 7.656 11.889 37.140 1.00 44.13 H new ATOM 0 HB2 GLN B 68 7.541 13.478 35.257 1.00 33.05 H new ATOM 0 HB3 GLN B 68 9.020 12.538 35.264 1.00 33.05 H new ATOM 0 HG2 GLN B 68 8.309 11.191 33.428 1.00 52.44 H new ATOM 0 HG3 GLN B 68 6.644 11.715 33.579 1.00 52.44 H new ATOM 0 HE21 GLN B 68 9.383 13.973 33.808 1.00 53.21 H new ATOM 0 HE22 GLN B 68 9.069 14.795 32.276 1.00 53.21 H new ATOM 2997 N ASN B 69 5.251 10.456 35.573 1.00 21.43 N ATOM 2998 CA ASN B 69 3.799 10.297 35.459 1.00 41.54 C ATOM 2999 C ASN B 69 3.241 9.555 36.664 1.00 23.00 C ATOM 3000 O ASN B 69 2.034 9.329 36.763 1.00 34.41 O ATOM 3001 CB ASN B 69 3.430 9.552 34.162 1.00 65.13 C ATOM 3002 CG ASN B 69 3.374 10.444 32.928 1.00 21.52 C ATOM 3003 OD1 ASN B 69 2.567 10.217 32.023 1.00 65.21 O ATOM 3004 ND2 ASN B 69 4.233 11.450 32.869 1.00 45.52 N ATOM 0 H ASN B 69 5.783 9.654 35.234 1.00 21.43 H new ATOM 0 HA ASN B 69 3.355 11.292 35.427 1.00 41.54 H new ATOM 0 HB2 ASN B 69 4.158 8.759 33.991 1.00 65.13 H new ATOM 0 HB3 ASN B 69 2.461 9.072 34.295 1.00 65.13 H new ATOM 0 HD21 ASN B 69 4.241 12.067 32.057 1.00 45.52 H new ATOM 0 HD22 ASN B 69 4.886 11.608 33.636 1.00 45.52 H new ATOM 3011 N LYS B 70 4.138 9.174 37.567 1.00 4.22 N ATOM 3012 CA LYS B 70 3.779 8.546 38.841 1.00 71.04 C ATOM 3013 C LYS B 70 3.130 7.181 38.611 1.00 55.13 C ATOM 3014 O LYS B 70 2.425 6.656 39.477 1.00 71.33 O ATOM 3015 CB LYS B 70 2.839 9.450 39.676 1.00 43.15 C ATOM 3016 CG LYS B 70 3.157 10.953 39.629 1.00 61.50 C ATOM 3017 CD LYS B 70 4.655 11.247 39.616 1.00 21.25 C ATOM 3018 CE LYS B 70 4.944 12.732 39.813 1.00 20.34 C ATOM 3019 NZ LYS B 70 4.258 13.574 38.797 1.00 73.12 N1+ ATOM 0 H LYS B 70 5.143 9.292 37.438 1.00 4.22 H new ATOM 0 HA LYS B 70 4.701 8.406 39.405 1.00 71.04 H new ATOM 0 HB2 LYS B 70 1.817 9.301 39.329 1.00 43.15 H new ATOM 0 HB3 LYS B 70 2.874 9.121 40.714 1.00 43.15 H new ATOM 0 HG2 LYS B 70 2.700 11.388 38.740 1.00 61.50 H new ATOM 0 HG3 LYS B 70 2.704 11.441 40.492 1.00 61.50 H new ATOM 0 HD2 LYS B 70 5.144 10.674 40.404 1.00 21.25 H new ATOM 0 HD3 LYS B 70 5.082 10.916 38.669 1.00 21.25 H new ATOM 0 HE2 LYS B 70 4.624 13.034 40.810 1.00 20.34 H new ATOM 0 HE3 LYS B 70 6.019 12.902 39.758 1.00 20.34 H new ATOM 0 HZ1 LYS B 70 4.756 14.482 38.705 1.00 73.12 H new ATOM 0 HZ2 LYS B 70 4.261 13.083 37.880 1.00 73.12 H new ATOM 0 HZ3 LYS B 70 3.276 13.746 39.094 1.00 73.12 H new ATOM 3033 N GLN B 71 3.404 6.597 37.454 1.00 41.03 N ATOM 3034 CA GLN B 71 2.838 5.303 37.078 1.00 14.44 C ATOM 3035 C GLN B 71 3.942 4.255 36.969 1.00 73.31 C ATOM 3036 O GLN B 71 5.125 4.592 36.902 1.00 34.15 O ATOM 3037 CB GLN B 71 2.079 5.406 35.747 1.00 1.40 C ATOM 3038 CG GLN B 71 2.886 6.081 34.648 1.00 33.32 C ATOM 3039 CD GLN B 71 2.483 5.657 33.249 1.00 34.04 C ATOM 3040 OE1 GLN B 71 1.579 6.226 32.637 1.00 74.24 O ATOM 3041 NE2 GLN B 71 3.193 4.680 32.724 1.00 0.43 N ATOM 0 H GLN B 71 4.021 7.001 36.750 1.00 41.03 H new ATOM 0 HA GLN B 71 2.135 5.000 37.854 1.00 14.44 H new ATOM 0 HB2 GLN B 71 1.796 4.406 35.419 1.00 1.40 H new ATOM 0 HB3 GLN B 71 1.155 5.963 35.905 1.00 1.40 H new ATOM 0 HG2 GLN B 71 2.773 7.161 34.738 1.00 33.32 H new ATOM 0 HG3 GLN B 71 3.943 5.858 34.796 1.00 33.32 H new ATOM 0 HE21 GLN B 71 3.933 4.237 33.269 1.00 0.43 H new ATOM 0 HE22 GLN B 71 3.003 4.366 31.772 1.00 0.43 H new ATOM 3050 N THR B 72 3.550 2.988 36.937 1.00 1.35 N ATOM 3051 CA THR B 72 4.497 1.884 36.836 1.00 51.41 C ATOM 3052 C THR B 72 4.159 0.995 35.643 1.00 74.12 C ATOM 3053 O THR B 72 3.006 0.597 35.454 1.00 25.05 O ATOM 3054 CB THR B 72 4.513 1.035 38.131 1.00 13.02 C ATOM 3055 OG1 THR B 72 3.172 0.734 38.545 1.00 4.22 O ATOM 3056 CG2 THR B 72 5.246 1.759 39.254 1.00 71.50 C ATOM 0 H THR B 72 2.573 2.697 36.980 1.00 1.35 H new ATOM 0 HA THR B 72 5.488 2.314 36.694 1.00 51.41 H new ATOM 0 HB THR B 72 5.042 0.107 37.915 1.00 13.02 H new ATOM 0 HG1 THR B 72 2.653 0.425 37.773 1.00 4.22 H new ATOM 0 HG21 THR B 72 5.241 1.139 40.151 1.00 71.50 H new ATOM 0 HG22 THR B 72 6.275 1.952 38.952 1.00 71.50 H new ATOM 0 HG23 THR B 72 4.746 2.705 39.464 1.00 71.50 H new ATOM 3064 N LEU B 73 5.167 0.707 34.827 1.00 74.12 N ATOM 3065 CA LEU B 73 4.998 -0.164 33.668 1.00 52.35 C ATOM 3066 C LEU B 73 5.703 -1.503 33.889 1.00 64.24 C ATOM 3067 O LEU B 73 6.771 -1.553 34.504 1.00 14.14 O ATOM 3068 CB LEU B 73 5.489 0.514 32.374 1.00 75.15 C ATOM 3069 CG LEU B 73 6.423 1.711 32.572 1.00 62.34 C ATOM 3070 CD1 LEU B 73 7.781 1.277 33.123 1.00 33.12 C ATOM 3071 CD2 LEU B 73 6.584 2.488 31.269 1.00 51.14 C ATOM 0 H LEU B 73 6.114 1.066 34.947 1.00 74.12 H new ATOM 0 HA LEU B 73 3.932 -0.356 33.550 1.00 52.35 H new ATOM 0 HB2 LEU B 73 6.004 -0.231 31.767 1.00 75.15 H new ATOM 0 HB3 LEU B 73 4.620 0.843 31.805 1.00 75.15 H new ATOM 0 HG LEU B 73 5.968 2.371 33.311 1.00 62.34 H new ATOM 0 HD11 LEU B 73 8.418 2.152 33.251 1.00 33.12 H new ATOM 0 HD12 LEU B 73 7.643 0.785 34.086 1.00 33.12 H new ATOM 0 HD13 LEU B 73 8.252 0.584 32.426 1.00 33.12 H new ATOM 0 HD21 LEU B 73 7.251 3.335 31.430 1.00 51.14 H new ATOM 0 HD22 LEU B 73 7.005 1.834 30.505 1.00 51.14 H new ATOM 0 HD23 LEU B 73 5.611 2.851 30.939 1.00 51.14 H new ATOM 3083 N PRO B 74 5.097 -2.605 33.404 1.00 22.31 N ATOM 3084 CA PRO B 74 5.678 -3.955 33.499 1.00 33.15 C ATOM 3085 C PRO B 74 7.016 -4.064 32.765 1.00 51.21 C ATOM 3086 O PRO B 74 7.257 -3.351 31.791 1.00 62.01 O ATOM 3087 CB PRO B 74 4.623 -4.848 32.812 1.00 23.12 C ATOM 3088 CG PRO B 74 3.824 -3.914 31.970 1.00 12.13 C ATOM 3089 CD PRO B 74 3.786 -2.625 32.731 1.00 51.43 C ATOM 0 HA PRO B 74 5.890 -4.233 34.531 1.00 33.15 H new ATOM 0 HB2 PRO B 74 5.094 -5.622 32.206 1.00 23.12 H new ATOM 0 HB3 PRO B 74 3.996 -5.355 33.545 1.00 23.12 H new ATOM 0 HG2 PRO B 74 4.282 -3.778 30.990 1.00 12.13 H new ATOM 0 HG3 PRO B 74 2.819 -4.300 31.801 1.00 12.13 H new ATOM 0 HD2 PRO B 74 3.658 -1.768 32.069 1.00 51.43 H new ATOM 0 HD3 PRO B 74 2.964 -2.601 33.446 1.00 51.43 H new ATOM 3097 N ALA B 75 7.884 -4.949 33.242 1.00 24.41 N ATOM 3098 CA ALA B 75 9.149 -5.236 32.566 1.00 71.53 C ATOM 3099 C ALA B 75 8.914 -6.139 31.356 1.00 71.01 C ATOM 3100 O ALA B 75 9.719 -6.180 30.427 1.00 12.42 O ATOM 3101 CB ALA B 75 10.135 -5.885 33.533 1.00 50.55 C ATOM 0 H ALA B 75 7.736 -5.484 34.098 1.00 24.41 H new ATOM 0 HA ALA B 75 9.576 -4.296 32.217 1.00 71.53 H new ATOM 0 HB1 ALA B 75 11.071 -6.092 33.014 1.00 50.55 H new ATOM 0 HB2 ALA B 75 10.324 -5.210 34.367 1.00 50.55 H new ATOM 0 HB3 ALA B 75 9.715 -6.818 33.909 1.00 50.55 H new ATOM 3107 N ASP B 76 7.785 -6.845 31.377 1.00 24.20 N ATOM 3108 CA ASP B 76 7.445 -7.822 30.336 1.00 60.22 C ATOM 3109 C ASP B 76 6.862 -7.142 29.096 1.00 14.12 C ATOM 3110 O ASP B 76 6.439 -7.800 28.145 1.00 34.13 O ATOM 3111 CB ASP B 76 6.456 -8.854 30.905 1.00 21.51 C ATOM 3112 CG ASP B 76 6.049 -9.922 29.899 1.00 33.51 C ATOM 3113 OD1 ASP B 76 4.852 -9.983 29.533 1.00 23.44 O ATOM 3114 OD2 ASP B 76 6.920 -10.712 29.477 1.00 41.11 O1- ATOM 0 H ASP B 76 7.081 -6.759 32.110 1.00 24.20 H new ATOM 0 HA ASP B 76 8.359 -8.329 30.026 1.00 60.22 H new ATOM 0 HB2 ASP B 76 6.905 -9.336 31.773 1.00 21.51 H new ATOM 0 HB3 ASP B 76 5.563 -8.336 31.255 1.00 21.51 H new ATOM 3119 N THR B 77 6.853 -5.822 29.096 1.00 44.41 N ATOM 3120 CA THR B 77 6.335 -5.069 27.967 1.00 1.21 C ATOM 3121 C THR B 77 7.371 -5.009 26.845 1.00 31.44 C ATOM 3122 O THR B 77 8.574 -4.892 27.099 1.00 72.52 O ATOM 3123 CB THR B 77 5.919 -3.646 28.386 1.00 44.03 C ATOM 3124 OG1 THR B 77 5.321 -2.950 27.283 1.00 73.25 O ATOM 3125 CG2 THR B 77 7.106 -2.842 28.902 1.00 30.02 C ATOM 0 H THR B 77 7.198 -5.248 29.865 1.00 44.41 H new ATOM 0 HA THR B 77 5.447 -5.585 27.601 1.00 1.21 H new ATOM 0 HB THR B 77 5.193 -3.748 29.192 1.00 44.03 H new ATOM 0 HG1 THR B 77 4.977 -3.599 26.634 1.00 73.25 H new ATOM 0 HG21 THR B 77 6.773 -1.844 29.188 1.00 30.02 H new ATOM 0 HG22 THR B 77 7.536 -3.343 29.769 1.00 30.02 H new ATOM 0 HG23 THR B 77 7.860 -2.763 28.119 1.00 30.02 H new ATOM 3133 N THR B 78 6.898 -5.093 25.608 1.00 70.31 N ATOM 3134 CA THR B 78 7.777 -5.132 24.449 1.00 64.53 C ATOM 3135 C THR B 78 7.199 -4.304 23.302 1.00 71.23 C ATOM 3136 O THR B 78 5.982 -4.169 23.165 1.00 64.44 O ATOM 3137 CB THR B 78 7.989 -6.589 23.973 1.00 53.44 C ATOM 3138 OG1 THR B 78 8.439 -7.403 25.067 1.00 34.22 O ATOM 3139 CG2 THR B 78 9.004 -6.674 22.839 1.00 23.30 C ATOM 0 H THR B 78 5.904 -5.136 25.382 1.00 70.31 H new ATOM 0 HA THR B 78 8.736 -4.709 24.746 1.00 64.53 H new ATOM 0 HB THR B 78 7.030 -6.952 23.602 1.00 53.44 H new ATOM 0 HG1 THR B 78 9.397 -7.583 24.968 1.00 34.22 H new ATOM 0 HG21 THR B 78 9.123 -7.714 22.535 1.00 23.30 H new ATOM 0 HG22 THR B 78 8.653 -6.086 21.991 1.00 23.30 H new ATOM 0 HG23 THR B 78 9.963 -6.283 23.179 1.00 23.30 H new ATOM 3147 N VAL B 79 8.083 -3.750 22.491 1.00 22.45 N ATOM 3148 CA VAL B 79 7.703 -2.989 21.308 1.00 23.02 C ATOM 3149 C VAL B 79 8.432 -3.549 20.097 1.00 31.21 C ATOM 3150 O VAL B 79 9.656 -3.677 20.108 1.00 14.34 O ATOM 3151 CB VAL B 79 8.029 -1.480 21.456 1.00 21.11 C ATOM 3152 CG1 VAL B 79 7.752 -0.729 20.153 1.00 1.41 C ATOM 3153 CG2 VAL B 79 7.231 -0.870 22.604 1.00 54.24 C ATOM 0 H VAL B 79 9.091 -3.814 22.633 1.00 22.45 H new ATOM 0 HA VAL B 79 6.624 -3.082 21.182 1.00 23.02 H new ATOM 0 HB VAL B 79 9.091 -1.385 21.682 1.00 21.11 H new ATOM 0 HG11 VAL B 79 7.989 0.327 20.284 1.00 1.41 H new ATOM 0 HG12 VAL B 79 8.370 -1.143 19.356 1.00 1.41 H new ATOM 0 HG13 VAL B 79 6.700 -0.835 19.889 1.00 1.41 H new ATOM 0 HG21 VAL B 79 7.473 0.189 22.693 1.00 54.24 H new ATOM 0 HG22 VAL B 79 6.165 -0.984 22.407 1.00 54.24 H new ATOM 0 HG23 VAL B 79 7.484 -1.379 23.534 1.00 54.24 H new ATOM 3163 N THR B 80 7.679 -3.902 19.072 1.00 72.42 N ATOM 3164 CA THR B 80 8.248 -4.479 17.865 1.00 23.21 C ATOM 3165 C THR B 80 8.129 -3.505 16.697 1.00 63.22 C ATOM 3166 O THR B 80 7.026 -3.166 16.268 1.00 42.43 O ATOM 3167 CB THR B 80 7.553 -5.811 17.506 1.00 22.40 C ATOM 3168 OG1 THR B 80 7.516 -6.666 18.660 1.00 71.34 O ATOM 3169 CG2 THR B 80 8.286 -6.522 16.373 1.00 64.25 C ATOM 0 H THR B 80 6.664 -3.799 19.050 1.00 72.42 H new ATOM 0 HA THR B 80 9.302 -4.678 18.057 1.00 23.21 H new ATOM 0 HB THR B 80 6.538 -5.588 17.177 1.00 22.40 H new ATOM 0 HG1 THR B 80 7.073 -7.509 18.428 1.00 71.34 H new ATOM 0 HG21 THR B 80 7.776 -7.457 16.140 1.00 64.25 H new ATOM 0 HG22 THR B 80 8.296 -5.884 15.489 1.00 64.25 H new ATOM 0 HG23 THR B 80 9.310 -6.734 16.679 1.00 64.25 H new ATOM 3177 N ALA B 81 9.270 -3.051 16.198 1.00 41.34 N ATOM 3178 CA ALA B 81 9.307 -2.132 15.069 1.00 73.43 C ATOM 3179 C ALA B 81 9.448 -2.904 13.764 1.00 13.31 C ATOM 3180 O ALA B 81 10.506 -3.470 13.477 1.00 32.14 O ATOM 3181 CB ALA B 81 10.457 -1.146 15.227 1.00 31.52 C ATOM 0 H ALA B 81 10.189 -3.306 16.560 1.00 41.34 H new ATOM 0 HA ALA B 81 8.371 -1.574 15.044 1.00 73.43 H new ATOM 0 HB1 ALA B 81 10.472 -0.465 14.376 1.00 31.52 H new ATOM 0 HB2 ALA B 81 10.323 -0.575 16.146 1.00 31.52 H new ATOM 0 HB3 ALA B 81 11.400 -1.691 15.273 1.00 31.52 H new ATOM 3187 N GLU B 82 8.371 -2.950 12.991 1.00 50.12 N ATOM 3188 CA GLU B 82 8.385 -3.619 11.698 1.00 53.10 C ATOM 3189 C GLU B 82 8.534 -2.582 10.586 1.00 51.21 C ATOM 3190 O GLU B 82 7.617 -1.804 10.320 1.00 13.21 O ATOM 3191 CB GLU B 82 7.109 -4.452 11.506 1.00 51.24 C ATOM 3192 CG GLU B 82 7.106 -5.267 10.218 1.00 31.41 C ATOM 3193 CD GLU B 82 5.945 -6.245 10.132 1.00 63.34 C ATOM 3194 OE1 GLU B 82 4.842 -5.839 9.711 1.00 35.34 O ATOM 3195 OE2 GLU B 82 6.139 -7.433 10.466 1.00 71.23 O1- ATOM 0 H GLU B 82 7.475 -2.531 13.238 1.00 50.12 H new ATOM 0 HA GLU B 82 9.235 -4.301 11.658 1.00 53.10 H new ATOM 0 HB2 GLU B 82 6.993 -5.127 12.354 1.00 51.24 H new ATOM 0 HB3 GLU B 82 6.246 -3.786 11.508 1.00 51.24 H new ATOM 0 HG2 GLU B 82 7.065 -4.588 9.366 1.00 31.41 H new ATOM 0 HG3 GLU B 82 8.043 -5.818 10.142 1.00 31.41 H new ATOM 3202 N VAL B 83 9.701 -2.568 9.951 1.00 40.31 N ATOM 3203 CA VAL B 83 10.038 -1.544 8.968 1.00 71.44 C ATOM 3204 C VAL B 83 9.937 -2.093 7.555 1.00 35.11 C ATOM 3205 O VAL B 83 10.358 -3.218 7.296 1.00 1.44 O ATOM 3206 CB VAL B 83 11.477 -1.020 9.176 1.00 65.23 C ATOM 3207 CG1 VAL B 83 11.784 0.113 8.201 1.00 71.22 C ATOM 3208 CG2 VAL B 83 11.692 -0.579 10.616 1.00 51.35 C ATOM 0 H VAL B 83 10.435 -3.260 10.101 1.00 40.31 H new ATOM 0 HA VAL B 83 9.326 -0.730 9.105 1.00 71.44 H new ATOM 0 HB VAL B 83 12.170 -1.836 8.972 1.00 65.23 H new ATOM 0 HG11 VAL B 83 12.802 0.468 8.364 1.00 71.22 H new ATOM 0 HG12 VAL B 83 11.686 -0.251 7.178 1.00 71.22 H new ATOM 0 HG13 VAL B 83 11.084 0.932 8.363 1.00 71.22 H new ATOM 0 HG21 VAL B 83 12.712 -0.215 10.736 1.00 51.35 H new ATOM 0 HG22 VAL B 83 10.990 0.218 10.861 1.00 51.35 H new ATOM 0 HG23 VAL B 83 11.528 -1.425 11.284 1.00 51.35 H new ATOM 3218 N GLY B 84 9.392 -1.300 6.645 1.00 51.11 N ATOM 3219 CA GLY B 84 9.371 -1.670 5.253 1.00 52.45 C ATOM 3220 C GLY B 84 9.908 -0.556 4.387 1.00 30.33 C ATOM 3221 O GLY B 84 9.741 0.620 4.706 1.00 4.21 O ATOM 0 H GLY B 84 8.961 -0.399 6.853 1.00 51.11 H new ATOM 0 HA2 GLY B 84 9.967 -2.570 5.104 1.00 52.45 H new ATOM 0 HA3 GLY B 84 8.351 -1.909 4.952 1.00 52.45 H new ATOM 3225 N ILE B 85 10.552 -0.925 3.298 1.00 72.33 N ATOM 3226 CA ILE B 85 11.113 0.030 2.362 1.00 70.35 C ATOM 3227 C ILE B 85 10.558 -0.256 0.977 1.00 24.30 C ATOM 3228 O ILE B 85 10.565 -1.411 0.515 1.00 65.43 O ATOM 3229 CB ILE B 85 12.668 -0.020 2.363 1.00 43.15 C ATOM 3230 CG1 ILE B 85 13.279 1.000 1.373 1.00 73.10 C ATOM 3231 CG2 ILE B 85 13.155 -1.432 2.060 1.00 2.22 C ATOM 3232 CD1 ILE B 85 13.423 0.493 -0.050 1.00 22.31 C ATOM 0 H ILE B 85 10.702 -1.899 3.036 1.00 72.33 H new ATOM 0 HA ILE B 85 10.830 1.038 2.666 1.00 70.35 H new ATOM 0 HB ILE B 85 13.007 0.259 3.361 1.00 43.15 H new ATOM 0 HG12 ILE B 85 12.657 1.895 1.364 1.00 73.10 H new ATOM 0 HG13 ILE B 85 14.261 1.298 1.739 1.00 73.10 H new ATOM 0 HG21 ILE B 85 14.245 -1.450 2.064 1.00 2.22 H new ATOM 0 HG22 ILE B 85 12.778 -2.118 2.819 1.00 2.22 H new ATOM 0 HG23 ILE B 85 12.791 -1.740 1.080 1.00 2.22 H new ATOM 0 HD11 ILE B 85 13.859 1.274 -0.672 1.00 22.31 H new ATOM 0 HD12 ILE B 85 14.071 -0.383 -0.060 1.00 22.31 H new ATOM 0 HD13 ILE B 85 12.442 0.223 -0.441 1.00 22.31 H new ATOM 3244 N GLY B 86 10.057 0.794 0.340 1.00 43.24 N ATOM 3245 CA GLY B 86 9.455 0.691 -0.975 1.00 50.02 C ATOM 3246 C GLY B 86 9.669 1.964 -1.761 1.00 52.30 C ATOM 3247 O GLY B 86 10.131 2.952 -1.198 1.00 42.02 O ATOM 0 H GLY B 86 10.058 1.739 0.723 1.00 43.24 H new ATOM 0 HA2 GLY B 86 9.888 -0.152 -1.514 1.00 50.02 H new ATOM 0 HA3 GLY B 86 8.388 0.493 -0.877 1.00 50.02 H new ATOM 3251 N PRO B 87 9.364 1.982 -3.063 1.00 42.21 N ATOM 3252 CA PRO B 87 9.583 3.156 -3.898 1.00 30.25 C ATOM 3253 C PRO B 87 8.449 4.164 -3.743 1.00 61.30 C ATOM 3254 O PRO B 87 7.318 3.794 -3.409 1.00 52.32 O ATOM 3255 CB PRO B 87 9.607 2.562 -5.307 1.00 44.10 C ATOM 3256 CG PRO B 87 8.651 1.418 -5.235 1.00 14.42 C ATOM 3257 CD PRO B 87 8.733 0.884 -3.820 1.00 45.13 C ATOM 0 HA PRO B 87 10.489 3.706 -3.643 1.00 30.25 H new ATOM 0 HB2 PRO B 87 9.298 3.294 -6.054 1.00 44.10 H new ATOM 0 HB3 PRO B 87 10.608 2.229 -5.582 1.00 44.10 H new ATOM 0 HG2 PRO B 87 7.637 1.743 -5.470 1.00 14.42 H new ATOM 0 HG3 PRO B 87 8.914 0.646 -5.958 1.00 14.42 H new ATOM 0 HD2 PRO B 87 7.746 0.643 -3.426 1.00 45.13 H new ATOM 0 HD3 PRO B 87 9.327 -0.028 -3.771 1.00 45.13 H new ATOM 3265 N ASN B 88 8.748 5.435 -3.960 1.00 53.24 N ATOM 3266 CA ASN B 88 7.724 6.471 -3.931 1.00 21.43 C ATOM 3267 C ASN B 88 7.573 7.082 -5.315 1.00 21.10 C ATOM 3268 O ASN B 88 8.459 6.943 -6.164 1.00 51.23 O ATOM 3269 CB ASN B 88 8.040 7.552 -2.879 1.00 72.30 C ATOM 3270 CG ASN B 88 9.365 8.270 -3.097 1.00 63.22 C ATOM 3271 OD1 ASN B 88 9.856 8.387 -4.218 1.00 5.32 O ATOM 3272 ND2 ASN B 88 9.944 8.774 -2.018 1.00 3.11 N ATOM 0 H ASN B 88 9.689 5.775 -4.158 1.00 53.24 H new ATOM 0 HA ASN B 88 6.779 6.012 -3.641 1.00 21.43 H new ATOM 0 HB2 ASN B 88 7.237 8.289 -2.879 1.00 72.30 H new ATOM 0 HB3 ASN B 88 8.049 7.090 -1.892 1.00 72.30 H new ATOM 0 HD21 ASN B 88 10.826 9.279 -2.101 1.00 3.11 H new ATOM 0 HD22 ASN B 88 9.508 8.658 -1.103 1.00 3.11 H new ATOM 3279 N GLU B 89 6.453 7.755 -5.544 1.00 65.22 N ATOM 3280 CA GLU B 89 6.170 8.353 -6.845 1.00 51.32 C ATOM 3281 C GLU B 89 7.099 9.534 -7.123 1.00 22.42 C ATOM 3282 O GLU B 89 7.138 10.057 -8.238 1.00 11.02 O ATOM 3283 CB GLU B 89 4.706 8.782 -6.924 1.00 62.31 C ATOM 3284 CG GLU B 89 4.277 9.742 -5.824 1.00 11.15 C ATOM 3285 CD GLU B 89 2.803 10.083 -5.912 1.00 24.23 C ATOM 3286 OE1 GLU B 89 2.469 11.203 -6.350 1.00 4.32 O ATOM 3287 OE2 GLU B 89 1.970 9.218 -5.572 1.00 35.35 O1- ATOM 0 H GLU B 89 5.724 7.901 -4.846 1.00 65.22 H new ATOM 0 HA GLU B 89 6.353 7.601 -7.613 1.00 51.32 H new ATOM 0 HB2 GLU B 89 4.529 9.253 -7.891 1.00 62.31 H new ATOM 0 HB3 GLU B 89 4.076 7.894 -6.882 1.00 62.31 H new ATOM 0 HG2 GLU B 89 4.489 9.297 -4.852 1.00 11.15 H new ATOM 0 HG3 GLU B 89 4.866 10.657 -5.891 1.00 11.15 H new ATOM 3294 N GLU B 90 7.838 9.953 -6.103 1.00 52.12 N ATOM 3295 CA GLU B 90 8.886 10.956 -6.271 1.00 15.12 C ATOM 3296 C GLU B 90 10.052 10.370 -7.077 1.00 74.05 C ATOM 3297 O GLU B 90 10.828 11.101 -7.696 1.00 53.12 O ATOM 3298 CB GLU B 90 9.372 11.459 -4.904 1.00 14.23 C ATOM 3299 CG GLU B 90 10.605 12.349 -4.980 1.00 30.33 C ATOM 3300 CD GLU B 90 10.957 12.990 -3.649 1.00 5.15 C ATOM 3301 OE1 GLU B 90 10.797 14.221 -3.518 1.00 54.43 O ATOM 3302 OE2 GLU B 90 11.381 12.265 -2.725 1.00 12.50 O1- ATOM 0 H GLU B 90 7.731 9.613 -5.147 1.00 52.12 H new ATOM 0 HA GLU B 90 8.475 11.804 -6.820 1.00 15.12 H new ATOM 0 HB2 GLU B 90 8.565 12.012 -4.423 1.00 14.23 H new ATOM 0 HB3 GLU B 90 9.593 10.601 -4.269 1.00 14.23 H new ATOM 0 HG2 GLU B 90 11.452 11.758 -5.328 1.00 30.33 H new ATOM 0 HG3 GLU B 90 10.437 13.131 -5.720 1.00 30.33 H new ATOM 3309 N GLY B 91 10.155 9.044 -7.072 1.00 72.20 N ATOM 3310 CA GLY B 91 11.182 8.359 -7.843 1.00 12.11 C ATOM 3311 C GLY B 91 12.319 7.853 -6.978 1.00 71.02 C ATOM 3312 O GLY B 91 13.295 7.295 -7.485 1.00 5.53 O ATOM 0 H GLY B 91 9.540 8.425 -6.543 1.00 72.20 H new ATOM 0 HA2 GLY B 91 10.733 7.520 -8.374 1.00 12.11 H new ATOM 0 HA3 GLY B 91 11.579 9.038 -8.597 1.00 12.11 H new ATOM 3316 N GLY B 92 12.193 8.048 -5.672 1.00 60.34 N ATOM 3317 CA GLY B 92 13.196 7.575 -4.734 1.00 61.32 C ATOM 3318 C GLY B 92 12.654 6.471 -3.849 1.00 12.52 C ATOM 3319 O GLY B 92 11.648 5.836 -4.183 1.00 70.13 O ATOM 0 H GLY B 92 11.405 8.531 -5.240 1.00 60.34 H new ATOM 0 HA2 GLY B 92 14.064 7.210 -5.282 1.00 61.32 H new ATOM 0 HA3 GLY B 92 13.536 8.405 -4.115 1.00 61.32 H new ATOM 3323 N PHE B 93 13.307 6.241 -2.716 1.00 71.13 N ATOM 3324 CA PHE B 93 12.855 5.237 -1.762 1.00 4.00 C ATOM 3325 C PHE B 93 12.052 5.894 -0.648 1.00 73.12 C ATOM 3326 O PHE B 93 12.182 7.096 -0.392 1.00 63.14 O ATOM 3327 CB PHE B 93 14.042 4.459 -1.173 1.00 42.41 C ATOM 3328 CG PHE B 93 14.755 3.579 -2.174 1.00 52.32 C ATOM 3329 CD1 PHE B 93 16.124 3.691 -2.376 1.00 72.40 C ATOM 3330 CD2 PHE B 93 14.051 2.635 -2.911 1.00 72.15 C ATOM 3331 CE1 PHE B 93 16.772 2.880 -3.289 1.00 54.33 C ATOM 3332 CE2 PHE B 93 14.696 1.825 -3.825 1.00 20.53 C ATOM 3333 CZ PHE B 93 16.058 1.946 -4.014 1.00 20.53 C ATOM 0 H PHE B 93 14.153 6.738 -2.436 1.00 71.13 H new ATOM 0 HA PHE B 93 12.216 4.530 -2.292 1.00 4.00 H new ATOM 0 HB2 PHE B 93 14.756 5.168 -0.754 1.00 42.41 H new ATOM 0 HB3 PHE B 93 13.686 3.840 -0.349 1.00 42.41 H new ATOM 0 HD1 PHE B 93 16.689 4.420 -1.814 1.00 72.40 H new ATOM 0 HD2 PHE B 93 12.985 2.533 -2.767 1.00 72.15 H new ATOM 0 HE1 PHE B 93 17.838 2.977 -3.436 1.00 54.33 H new ATOM 0 HE2 PHE B 93 14.135 1.097 -4.392 1.00 20.53 H new ATOM 0 HZ PHE B 93 16.564 1.312 -4.727 1.00 20.53 H new ATOM 3343 N ALA B 94 11.227 5.097 0.008 1.00 22.42 N ATOM 3344 CA ALA B 94 10.344 5.574 1.057 1.00 62.21 C ATOM 3345 C ALA B 94 10.274 4.541 2.168 1.00 42.21 C ATOM 3346 O ALA B 94 10.123 3.340 1.904 1.00 61.15 O ATOM 3347 CB ALA B 94 8.955 5.855 0.495 1.00 43.22 C ATOM 0 H ALA B 94 11.151 4.096 -0.173 1.00 22.42 H new ATOM 0 HA ALA B 94 10.738 6.505 1.463 1.00 62.21 H new ATOM 0 HB1 ALA B 94 8.305 6.212 1.294 1.00 43.22 H new ATOM 0 HB2 ALA B 94 9.024 6.615 -0.283 1.00 43.22 H new ATOM 0 HB3 ALA B 94 8.541 4.939 0.072 1.00 43.22 H new ATOM 3353 N LEU B 95 10.405 5.008 3.401 1.00 51.40 N ATOM 3354 CA LEU B 95 10.377 4.137 4.564 1.00 52.52 C ATOM 3355 C LEU B 95 9.009 4.170 5.219 1.00 31.45 C ATOM 3356 O LEU B 95 8.409 5.235 5.396 1.00 74.21 O ATOM 3357 CB LEU B 95 11.468 4.533 5.574 1.00 5.44 C ATOM 3358 CG LEU B 95 12.872 3.976 5.273 1.00 70.54 C ATOM 3359 CD1 LEU B 95 12.884 2.453 5.399 1.00 3.52 C ATOM 3360 CD2 LEU B 95 13.339 4.398 3.882 1.00 13.14 C ATOM 0 H LEU B 95 10.533 5.996 3.622 1.00 51.40 H new ATOM 0 HA LEU B 95 10.578 3.119 4.230 1.00 52.52 H new ATOM 0 HB2 LEU B 95 11.527 5.621 5.614 1.00 5.44 H new ATOM 0 HB3 LEU B 95 11.164 4.194 6.564 1.00 5.44 H new ATOM 0 HG LEU B 95 13.564 4.391 6.006 1.00 70.54 H new ATOM 0 HD11 LEU B 95 13.884 2.078 5.183 1.00 3.52 H new ATOM 0 HD12 LEU B 95 12.602 2.170 6.413 1.00 3.52 H new ATOM 0 HD13 LEU B 95 12.175 2.024 4.691 1.00 3.52 H new ATOM 0 HD21 LEU B 95 14.333 3.992 3.693 1.00 13.14 H new ATOM 0 HD22 LEU B 95 12.644 4.018 3.134 1.00 13.14 H new ATOM 0 HD23 LEU B 95 13.374 5.486 3.825 1.00 13.14 H new ATOM 3372 N ASP B 96 8.524 2.995 5.557 1.00 51.23 N ATOM 3373 CA ASP B 96 7.244 2.836 6.232 1.00 11.24 C ATOM 3374 C ASP B 96 7.423 1.880 7.394 1.00 14.30 C ATOM 3375 O ASP B 96 7.629 0.688 7.186 1.00 55.22 O ATOM 3376 CB ASP B 96 6.208 2.268 5.256 1.00 22.11 C ATOM 3377 CG ASP B 96 4.779 2.423 5.753 1.00 4.43 C ATOM 3378 OD1 ASP B 96 4.146 3.460 5.452 1.00 73.12 O ATOM 3379 OD2 ASP B 96 4.273 1.508 6.435 1.00 73.53 O1- ATOM 0 H ASP B 96 9.006 2.115 5.372 1.00 51.23 H new ATOM 0 HA ASP B 96 6.896 3.803 6.594 1.00 11.24 H new ATOM 0 HB2 ASP B 96 6.309 2.770 4.294 1.00 22.11 H new ATOM 0 HB3 ASP B 96 6.416 1.211 5.087 1.00 22.11 H new ATOM 3384 N VAL B 97 7.347 2.385 8.611 1.00 43.21 N ATOM 3385 CA VAL B 97 7.609 1.557 9.781 1.00 65.34 C ATOM 3386 C VAL B 97 6.403 1.511 10.709 1.00 4.12 C ATOM 3387 O VAL B 97 5.934 2.531 11.208 1.00 1.23 O ATOM 3388 CB VAL B 97 8.883 2.022 10.540 1.00 44.15 C ATOM 3389 CG1 VAL B 97 8.979 3.540 10.567 1.00 31.14 C ATOM 3390 CG2 VAL B 97 8.928 1.443 11.958 1.00 13.32 C ATOM 0 H VAL B 97 7.109 3.355 8.818 1.00 43.21 H new ATOM 0 HA VAL B 97 7.793 0.544 9.424 1.00 65.34 H new ATOM 0 HB VAL B 97 9.749 1.640 9.999 1.00 44.15 H new ATOM 0 HG11 VAL B 97 9.879 3.838 11.104 1.00 31.14 H new ATOM 0 HG12 VAL B 97 9.023 3.920 9.546 1.00 31.14 H new ATOM 0 HG13 VAL B 97 8.104 3.951 11.070 1.00 31.14 H new ATOM 0 HG21 VAL B 97 9.831 1.787 12.463 1.00 13.32 H new ATOM 0 HG22 VAL B 97 8.052 1.776 12.515 1.00 13.32 H new ATOM 0 HG23 VAL B 97 8.933 0.354 11.906 1.00 13.32 H new ATOM 3400 N GLU B 98 5.903 0.307 10.910 1.00 55.41 N ATOM 3401 CA GLU B 98 4.778 0.053 11.786 1.00 61.25 C ATOM 3402 C GLU B 98 5.299 -0.290 13.174 1.00 55.42 C ATOM 3403 O GLU B 98 5.941 -1.325 13.366 1.00 74.01 O ATOM 3404 CB GLU B 98 3.945 -1.101 11.218 1.00 43.20 C ATOM 3405 CG GLU B 98 3.434 -0.833 9.805 1.00 33.43 C ATOM 3406 CD GLU B 98 2.788 -2.051 9.168 1.00 35.25 C ATOM 3407 OE1 GLU B 98 1.823 -2.588 9.750 1.00 70.42 O ATOM 3408 OE2 GLU B 98 3.225 -2.468 8.073 1.00 74.42 O1- ATOM 0 H GLU B 98 6.272 -0.532 10.463 1.00 55.41 H new ATOM 0 HA GLU B 98 4.144 0.937 11.856 1.00 61.25 H new ATOM 0 HB2 GLU B 98 4.549 -2.009 11.213 1.00 43.20 H new ATOM 0 HB3 GLU B 98 3.096 -1.286 11.876 1.00 43.20 H new ATOM 0 HG2 GLU B 98 2.711 -0.018 9.834 1.00 33.43 H new ATOM 0 HG3 GLU B 98 4.264 -0.500 9.181 1.00 33.43 H new ATOM 3415 N LEU B 99 5.046 0.589 14.133 1.00 61.12 N ATOM 3416 CA LEU B 99 5.554 0.408 15.485 1.00 54.24 C ATOM 3417 C LEU B 99 4.497 -0.296 16.327 1.00 51.12 C ATOM 3418 O LEU B 99 3.474 0.297 16.676 1.00 12.44 O ATOM 3419 CB LEU B 99 5.936 1.764 16.102 1.00 60.12 C ATOM 3420 CG LEU B 99 6.873 1.689 17.320 1.00 42.10 C ATOM 3421 CD1 LEU B 99 8.201 1.041 16.932 1.00 24.34 C ATOM 3422 CD2 LEU B 99 7.102 3.080 17.915 1.00 1.13 C ATOM 0 H LEU B 99 4.492 1.435 14.000 1.00 61.12 H new ATOM 0 HA LEU B 99 6.453 -0.208 15.457 1.00 54.24 H new ATOM 0 HB2 LEU B 99 6.413 2.373 15.334 1.00 60.12 H new ATOM 0 HB3 LEU B 99 5.023 2.281 16.397 1.00 60.12 H new ATOM 0 HG LEU B 99 6.398 1.070 18.081 1.00 42.10 H new ATOM 0 HD11 LEU B 99 8.852 0.996 17.805 1.00 24.34 H new ATOM 0 HD12 LEU B 99 8.019 0.032 16.562 1.00 24.34 H new ATOM 0 HD13 LEU B 99 8.680 1.633 16.152 1.00 24.34 H new ATOM 0 HD21 LEU B 99 7.767 3.003 18.775 1.00 1.13 H new ATOM 0 HD22 LEU B 99 7.554 3.727 17.163 1.00 1.13 H new ATOM 0 HD23 LEU B 99 6.148 3.502 18.231 1.00 1.13 H new ATOM 3434 N ARG B 100 4.753 -1.560 16.648 1.00 53.41 N ATOM 3435 CA ARG B 100 3.765 -2.423 17.284 1.00 2.45 C ATOM 3436 C ARG B 100 4.028 -2.479 18.786 1.00 14.01 C ATOM 3437 O ARG B 100 5.026 -3.046 19.229 1.00 24.14 O ATOM 3438 CB ARG B 100 3.835 -3.827 16.649 1.00 53.52 C ATOM 3439 CG ARG B 100 2.545 -4.644 16.748 1.00 13.43 C ATOM 3440 CD ARG B 100 2.295 -5.194 18.147 1.00 64.11 C ATOM 3441 NE ARG B 100 1.063 -5.985 18.196 1.00 3.43 N ATOM 3442 CZ ARG B 100 0.976 -7.225 18.681 1.00 52.33 C ATOM 3443 NH1 ARG B 100 2.052 -7.855 19.140 1.00 41.53 N1+ ATOM 3444 NH2 ARG B 100 -0.196 -7.841 18.694 1.00 11.32 N ATOM 0 H ARG B 100 5.650 -2.014 16.475 1.00 53.41 H new ATOM 0 HA ARG B 100 2.762 -2.025 17.131 1.00 2.45 H new ATOM 0 HB2 ARG B 100 4.101 -3.721 15.597 1.00 53.52 H new ATOM 0 HB3 ARG B 100 4.640 -4.386 17.127 1.00 53.52 H new ATOM 0 HG2 ARG B 100 1.702 -4.019 16.453 1.00 13.43 H new ATOM 0 HG3 ARG B 100 2.591 -5.472 16.041 1.00 13.43 H new ATOM 0 HD2 ARG B 100 3.139 -5.812 18.453 1.00 64.11 H new ATOM 0 HD3 ARG B 100 2.229 -4.370 18.858 1.00 64.11 H new ATOM 0 HE ARG B 100 0.211 -5.557 17.834 1.00 3.43 H new ATOM 0 HH11 ARG B 100 2.960 -7.391 19.125 1.00 41.53 H new ATOM 0 HH12 ARG B 100 1.970 -8.803 19.508 1.00 41.53 H new ATOM 0 HH21 ARG B 100 -1.025 -7.368 18.335 1.00 11.32 H new ATOM 0 HH22 ARG B 100 -0.270 -8.789 19.063 1.00 11.32 H new ATOM 3458 N VAL B 101 3.125 -1.888 19.563 1.00 41.00 N ATOM 3459 CA VAL B 101 3.336 -1.706 20.995 1.00 50.20 C ATOM 3460 C VAL B 101 2.579 -2.750 21.799 1.00 3.30 C ATOM 3461 O VAL B 101 1.350 -2.764 21.796 1.00 1.54 O ATOM 3462 CB VAL B 101 2.877 -0.300 21.443 1.00 60.12 C ATOM 3463 CG1 VAL B 101 2.957 -0.157 22.963 1.00 22.35 C ATOM 3464 CG2 VAL B 101 3.701 0.783 20.745 1.00 51.31 C ATOM 0 H VAL B 101 2.235 -1.525 19.222 1.00 41.00 H new ATOM 0 HA VAL B 101 4.404 -1.817 21.180 1.00 50.20 H new ATOM 0 HB VAL B 101 1.834 -0.173 21.152 1.00 60.12 H new ATOM 0 HG11 VAL B 101 2.629 0.841 23.252 1.00 22.35 H new ATOM 0 HG12 VAL B 101 2.314 -0.901 23.433 1.00 22.35 H new ATOM 0 HG13 VAL B 101 3.986 -0.309 23.289 1.00 22.35 H new ATOM 0 HG21 VAL B 101 3.363 1.766 21.073 1.00 51.31 H new ATOM 0 HG22 VAL B 101 4.754 0.658 20.998 1.00 51.31 H new ATOM 0 HG23 VAL B 101 3.574 0.698 19.666 1.00 51.31 H new ATOM 3474 N ALA B 102 3.315 -3.616 22.490 1.00 24.03 N ATOM 3475 CA ALA B 102 2.710 -4.628 23.346 1.00 53.32 C ATOM 3476 C ALA B 102 2.949 -4.301 24.819 1.00 44.40 C ATOM 3477 O ALA B 102 4.040 -4.529 25.350 1.00 4.42 O ATOM 3478 CB ALA B 102 3.266 -6.009 23.007 1.00 42.24 C ATOM 0 H ALA B 102 4.335 -3.636 22.473 1.00 24.03 H new ATOM 0 HA ALA B 102 1.635 -4.633 23.168 1.00 53.32 H new ATOM 0 HB1 ALA B 102 2.805 -6.756 23.654 1.00 42.24 H new ATOM 0 HB2 ALA B 102 3.045 -6.245 21.966 1.00 42.24 H new ATOM 0 HB3 ALA B 102 4.345 -6.014 23.159 1.00 42.24 H new ATOM 3484 N LEU B 103 1.925 -3.755 25.467 1.00 61.44 N ATOM 3485 CA LEU B 103 1.958 -3.497 26.902 1.00 72.24 C ATOM 3486 C LEU B 103 0.972 -4.447 27.582 1.00 41.41 C ATOM 3487 O LEU B 103 -0.231 -4.381 27.333 1.00 40.11 O ATOM 3488 CB LEU B 103 1.606 -2.028 27.209 1.00 55.34 C ATOM 3489 CG LEU B 103 1.765 -1.600 28.684 1.00 34.43 C ATOM 3490 CD1 LEU B 103 3.214 -1.721 29.132 1.00 40.33 C ATOM 3491 CD2 LEU B 103 1.268 -0.173 28.903 1.00 1.40 C ATOM 0 H LEU B 103 1.053 -3.480 25.015 1.00 61.44 H new ATOM 0 HA LEU B 103 2.964 -3.671 27.284 1.00 72.24 H new ATOM 0 HB2 LEU B 103 2.235 -1.386 26.593 1.00 55.34 H new ATOM 0 HB3 LEU B 103 0.574 -1.849 26.906 1.00 55.34 H new ATOM 0 HG LEU B 103 1.155 -2.273 29.287 1.00 34.43 H new ATOM 0 HD11 LEU B 103 3.299 -1.414 30.174 1.00 40.33 H new ATOM 0 HD12 LEU B 103 3.541 -2.756 29.031 1.00 40.33 H new ATOM 0 HD13 LEU B 103 3.841 -1.080 28.512 1.00 40.33 H new ATOM 0 HD21 LEU B 103 1.393 0.099 29.951 1.00 1.40 H new ATOM 0 HD22 LEU B 103 1.842 0.512 28.279 1.00 1.40 H new ATOM 0 HD23 LEU B 103 0.213 -0.110 28.635 1.00 1.40 H new ATOM 3503 N PRO B 104 1.470 -5.361 28.430 1.00 3.11 N ATOM 3504 CA PRO B 104 0.646 -6.419 29.010 1.00 24.44 C ATOM 3505 C PRO B 104 -0.350 -5.897 30.034 1.00 5.10 C ATOM 3506 O PRO B 104 -0.048 -4.992 30.815 1.00 15.44 O ATOM 3507 CB PRO B 104 1.660 -7.356 29.662 1.00 10.11 C ATOM 3508 CG PRO B 104 2.863 -6.519 29.930 1.00 31.23 C ATOM 3509 CD PRO B 104 2.864 -5.420 28.899 1.00 74.24 C ATOM 0 HA PRO B 104 0.030 -6.906 28.254 1.00 24.44 H new ATOM 0 HB2 PRO B 104 1.265 -7.781 30.585 1.00 10.11 H new ATOM 0 HB3 PRO B 104 1.902 -8.191 29.004 1.00 10.11 H new ATOM 0 HG2 PRO B 104 2.829 -6.104 30.938 1.00 31.23 H new ATOM 0 HG3 PRO B 104 3.773 -7.115 29.861 1.00 31.23 H new ATOM 0 HD2 PRO B 104 3.179 -4.470 29.330 1.00 74.24 H new ATOM 0 HD3 PRO B 104 3.550 -5.642 28.081 1.00 74.24 H new ATOM 3517 N GLY B 105 -1.532 -6.496 30.025 1.00 72.34 N ATOM 3518 CA GLY B 105 -2.605 -6.072 30.907 1.00 21.00 C ATOM 3519 C GLY B 105 -3.328 -4.838 30.394 1.00 53.31 C ATOM 3520 O GLY B 105 -4.289 -4.361 31.009 1.00 21.33 O ATOM 0 H GLY B 105 -1.771 -7.278 29.415 1.00 72.34 H new ATOM 0 HA2 GLY B 105 -3.320 -6.887 31.021 1.00 21.00 H new ATOM 0 HA3 GLY B 105 -2.197 -5.865 31.896 1.00 21.00 H new ATOM 3524 N LEU B 106 -2.883 -4.339 29.249 1.00 45.40 N ATOM 3525 CA LEU B 106 -3.421 -3.115 28.669 1.00 45.21 C ATOM 3526 C LEU B 106 -4.369 -3.418 27.509 1.00 60.53 C ATOM 3527 O LEU B 106 -4.098 -4.280 26.668 1.00 55.33 O ATOM 3528 CB LEU B 106 -2.273 -2.205 28.203 1.00 22.13 C ATOM 3529 CG LEU B 106 -2.683 -1.012 27.321 1.00 5.55 C ATOM 3530 CD1 LEU B 106 -3.664 -0.093 28.046 1.00 53.52 C ATOM 3531 CD2 LEU B 106 -1.452 -0.239 26.864 1.00 55.01 C ATOM 0 H LEU B 106 -2.141 -4.769 28.697 1.00 45.40 H new ATOM 0 HA LEU B 106 -3.995 -2.598 29.438 1.00 45.21 H new ATOM 0 HB2 LEU B 106 -1.757 -1.822 29.084 1.00 22.13 H new ATOM 0 HB3 LEU B 106 -1.554 -2.811 27.651 1.00 22.13 H new ATOM 0 HG LEU B 106 -3.191 -1.405 26.441 1.00 5.55 H new ATOM 0 HD11 LEU B 106 -3.933 0.739 27.395 1.00 53.52 H new ATOM 0 HD12 LEU B 106 -4.562 -0.653 28.308 1.00 53.52 H new ATOM 0 HD13 LEU B 106 -3.199 0.292 28.953 1.00 53.52 H new ATOM 0 HD21 LEU B 106 -1.760 0.601 26.241 1.00 55.01 H new ATOM 0 HD22 LEU B 106 -0.912 0.133 27.735 1.00 55.01 H new ATOM 0 HD23 LEU B 106 -0.802 -0.898 26.288 1.00 55.01 H new ATOM 3543 N ASP B 107 -5.487 -2.699 27.495 1.00 0.12 N ATOM 3544 CA ASP B 107 -6.484 -2.788 26.431 1.00 50.41 C ATOM 3545 C ASP B 107 -6.025 -2.018 25.201 1.00 24.13 C ATOM 3546 O ASP B 107 -5.272 -1.055 25.317 1.00 45.41 O ATOM 3547 CB ASP B 107 -7.813 -2.206 26.919 1.00 1.44 C ATOM 3548 CG ASP B 107 -8.432 -3.019 28.040 1.00 20.21 C ATOM 3549 OD1 ASP B 107 -8.182 -2.696 29.222 1.00 63.12 O ATOM 3550 OD2 ASP B 107 -9.169 -3.983 27.747 1.00 14.11 O1- ATOM 0 H ASP B 107 -5.730 -2.032 28.228 1.00 0.12 H new ATOM 0 HA ASP B 107 -6.612 -3.838 26.166 1.00 50.41 H new ATOM 0 HB2 ASP B 107 -7.653 -1.184 27.263 1.00 1.44 H new ATOM 0 HB3 ASP B 107 -8.511 -2.156 26.084 1.00 1.44 H new ATOM 3555 N ALA B 108 -6.507 -2.421 24.032 1.00 12.24 N ATOM 3556 CA ALA B 108 -6.139 -1.766 22.777 1.00 21.33 C ATOM 3557 C ALA B 108 -6.719 -0.354 22.703 1.00 4.44 C ATOM 3558 O ALA B 108 -6.032 0.591 22.306 1.00 12.01 O ATOM 3559 CB ALA B 108 -6.609 -2.598 21.590 1.00 34.32 C ATOM 0 H ALA B 108 -7.156 -3.201 23.924 1.00 12.24 H new ATOM 0 HA ALA B 108 -5.053 -1.685 22.742 1.00 21.33 H new ATOM 0 HB1 ALA B 108 -6.329 -2.099 20.662 1.00 34.32 H new ATOM 0 HB2 ALA B 108 -6.142 -3.582 21.628 1.00 34.32 H new ATOM 0 HB3 ALA B 108 -7.693 -2.709 21.629 1.00 34.32 H new ATOM 3565 N ALA B 109 -7.984 -0.216 23.100 1.00 61.34 N ATOM 3566 CA ALA B 109 -8.670 1.075 23.080 1.00 64.51 C ATOM 3567 C ALA B 109 -7.913 2.102 23.921 1.00 34.40 C ATOM 3568 O ALA B 109 -7.744 3.257 23.519 1.00 22.24 O ATOM 3569 CB ALA B 109 -10.102 0.919 23.584 1.00 34.53 C ATOM 0 H ALA B 109 -8.557 -0.988 23.441 1.00 61.34 H new ATOM 0 HA ALA B 109 -8.700 1.435 22.052 1.00 64.51 H new ATOM 0 HB1 ALA B 109 -10.602 1.887 23.564 1.00 34.53 H new ATOM 0 HB2 ALA B 109 -10.639 0.220 22.943 1.00 34.53 H new ATOM 0 HB3 ALA B 109 -10.089 0.538 24.605 1.00 34.53 H new ATOM 3575 N ALA B 110 -7.451 1.664 25.088 1.00 13.42 N ATOM 3576 CA ALA B 110 -6.671 2.513 25.981 1.00 72.03 C ATOM 3577 C ALA B 110 -5.253 2.689 25.442 1.00 4.25 C ATOM 3578 O ALA B 110 -4.676 3.779 25.508 1.00 22.41 O ATOM 3579 CB ALA B 110 -6.642 1.912 27.381 1.00 4.12 C ATOM 0 H ALA B 110 -7.605 0.719 25.439 1.00 13.42 H new ATOM 0 HA ALA B 110 -7.141 3.495 26.034 1.00 72.03 H new ATOM 0 HB1 ALA B 110 -6.057 2.553 28.040 1.00 4.12 H new ATOM 0 HB2 ALA B 110 -7.660 1.830 27.763 1.00 4.12 H new ATOM 0 HB3 ALA B 110 -6.189 0.922 27.342 1.00 4.12 H new ATOM 3585 N ALA B 111 -4.707 1.606 24.892 1.00 64.14 N ATOM 3586 CA ALA B 111 -3.359 1.614 24.335 1.00 51.51 C ATOM 3587 C ALA B 111 -3.224 2.687 23.268 1.00 2.23 C ATOM 3588 O ALA B 111 -2.190 3.341 23.166 1.00 42.41 O ATOM 3589 CB ALA B 111 -3.007 0.248 23.763 1.00 4.22 C ATOM 0 H ALA B 111 -5.183 0.707 24.821 1.00 64.14 H new ATOM 0 HA ALA B 111 -2.660 1.841 25.140 1.00 51.51 H new ATOM 0 HB1 ALA B 111 -1.998 0.275 23.352 1.00 4.22 H new ATOM 0 HB2 ALA B 111 -3.058 -0.501 24.553 1.00 4.22 H new ATOM 0 HB3 ALA B 111 -3.713 -0.009 22.973 1.00 4.22 H new ATOM 3595 N LYS B 112 -4.285 2.870 22.490 1.00 32.30 N ATOM 3596 CA LYS B 112 -4.321 3.900 21.457 1.00 34.20 C ATOM 3597 C LYS B 112 -3.915 5.258 22.024 1.00 24.41 C ATOM 3598 O LYS B 112 -3.088 5.958 21.444 1.00 32.01 O ATOM 3599 CB LYS B 112 -5.729 3.990 20.843 1.00 45.31 C ATOM 3600 CG LYS B 112 -6.003 2.968 19.744 1.00 74.45 C ATOM 3601 CD LYS B 112 -5.207 3.286 18.481 1.00 63.04 C ATOM 3602 CE LYS B 112 -5.597 2.382 17.321 1.00 72.33 C ATOM 3603 NZ LYS B 112 -4.924 2.784 16.060 1.00 62.21 N1+ ATOM 0 H LYS B 112 -5.138 2.314 22.556 1.00 32.30 H new ATOM 0 HA LYS B 112 -3.608 3.623 20.680 1.00 34.20 H new ATOM 0 HB2 LYS B 112 -6.467 3.861 21.635 1.00 45.31 H new ATOM 0 HB3 LYS B 112 -5.871 4.991 20.435 1.00 45.31 H new ATOM 0 HG2 LYS B 112 -5.743 1.971 20.099 1.00 74.45 H new ATOM 0 HG3 LYS B 112 -7.068 2.957 19.512 1.00 74.45 H new ATOM 0 HD2 LYS B 112 -5.371 4.327 18.201 1.00 63.04 H new ATOM 0 HD3 LYS B 112 -4.142 3.175 18.686 1.00 63.04 H new ATOM 0 HE2 LYS B 112 -5.336 1.351 17.560 1.00 72.33 H new ATOM 0 HE3 LYS B 112 -6.678 2.414 17.183 1.00 72.33 H new ATOM 0 HZ1 LYS B 112 -5.214 2.145 15.293 1.00 62.21 H new ATOM 0 HZ2 LYS B 112 -5.193 3.759 15.819 1.00 62.21 H new ATOM 0 HZ3 LYS B 112 -3.893 2.730 16.184 1.00 62.21 H new ATOM 3617 N THR B 113 -4.484 5.614 23.171 1.00 71.03 N ATOM 3618 CA THR B 113 -4.254 6.927 23.747 1.00 12.30 C ATOM 3619 C THR B 113 -2.934 6.966 24.528 1.00 72.03 C ATOM 3620 O THR B 113 -2.224 7.975 24.509 1.00 34.03 O ATOM 3621 CB THR B 113 -5.436 7.372 24.650 1.00 51.23 C ATOM 3622 OG1 THR B 113 -5.559 8.800 24.618 1.00 15.33 O ATOM 3623 CG2 THR B 113 -5.260 6.913 26.095 1.00 55.23 C ATOM 0 H THR B 113 -5.104 5.013 23.715 1.00 71.03 H new ATOM 0 HA THR B 113 -4.183 7.633 22.920 1.00 12.30 H new ATOM 0 HB THR B 113 -6.340 6.905 24.258 1.00 51.23 H new ATOM 0 HG1 THR B 113 -6.307 9.077 25.188 1.00 15.33 H new ATOM 0 HG21 THR B 113 -6.111 7.247 26.689 1.00 55.23 H new ATOM 0 HG22 THR B 113 -5.200 5.825 26.126 1.00 55.23 H new ATOM 0 HG23 THR B 113 -4.343 7.339 26.503 1.00 55.23 H new ATOM 3631 N LEU B 114 -2.599 5.861 25.201 1.00 42.02 N ATOM 3632 CA LEU B 114 -1.377 5.793 26.000 1.00 34.43 C ATOM 3633 C LEU B 114 -0.150 5.860 25.098 1.00 70.23 C ATOM 3634 O LEU B 114 0.789 6.615 25.363 1.00 14.10 O ATOM 3635 CB LEU B 114 -1.350 4.518 26.858 1.00 61.41 C ATOM 3636 CG LEU B 114 -2.518 4.370 27.852 1.00 44.12 C ATOM 3637 CD1 LEU B 114 -2.313 3.162 28.761 1.00 65.44 C ATOM 3638 CD2 LEU B 114 -2.698 5.646 28.675 1.00 20.12 C ATOM 0 H LEU B 114 -3.156 5.006 25.207 1.00 42.02 H new ATOM 0 HA LEU B 114 -1.361 6.650 26.673 1.00 34.43 H new ATOM 0 HB2 LEU B 114 -1.347 3.653 26.195 1.00 61.41 H new ATOM 0 HB3 LEU B 114 -0.414 4.495 27.416 1.00 61.41 H new ATOM 0 HG LEU B 114 -3.429 4.207 27.277 1.00 44.12 H new ATOM 0 HD11 LEU B 114 -3.151 3.081 29.453 1.00 65.44 H new ATOM 0 HD12 LEU B 114 -2.253 2.257 28.156 1.00 65.44 H new ATOM 0 HD13 LEU B 114 -1.388 3.284 29.325 1.00 65.44 H new ATOM 0 HD21 LEU B 114 -3.528 5.517 29.369 1.00 20.12 H new ATOM 0 HD22 LEU B 114 -1.785 5.850 29.235 1.00 20.12 H new ATOM 0 HD23 LEU B 114 -2.909 6.482 28.008 1.00 20.12 H new ATOM 3650 N VAL B 115 -0.176 5.083 24.024 1.00 61.11 N ATOM 3651 CA VAL B 115 0.899 5.097 23.044 1.00 23.35 C ATOM 3652 C VAL B 115 0.976 6.461 22.370 1.00 63.55 C ATOM 3653 O VAL B 115 2.062 6.971 22.120 1.00 10.54 O ATOM 3654 CB VAL B 115 0.712 3.996 21.967 1.00 32.23 C ATOM 3655 CG1 VAL B 115 1.814 4.069 20.910 1.00 53.51 C ATOM 3656 CG2 VAL B 115 0.681 2.613 22.616 1.00 32.34 C ATOM 0 H VAL B 115 -0.933 4.433 23.810 1.00 61.11 H new ATOM 0 HA VAL B 115 1.829 4.895 23.576 1.00 23.35 H new ATOM 0 HB VAL B 115 -0.243 4.168 21.470 1.00 32.23 H new ATOM 0 HG11 VAL B 115 1.659 3.286 20.168 1.00 53.51 H new ATOM 0 HG12 VAL B 115 1.786 5.043 20.422 1.00 53.51 H new ATOM 0 HG13 VAL B 115 2.785 3.930 21.386 1.00 53.51 H new ATOM 0 HG21 VAL B 115 0.549 1.853 21.846 1.00 32.34 H new ATOM 0 HG22 VAL B 115 1.619 2.437 23.143 1.00 32.34 H new ATOM 0 HG23 VAL B 115 -0.147 2.561 23.323 1.00 32.34 H new ATOM 3666 N ASP B 116 -0.187 7.056 22.100 1.00 33.05 N ATOM 3667 CA ASP B 116 -0.250 8.360 21.438 1.00 4.03 C ATOM 3668 C ASP B 116 0.483 9.418 22.256 1.00 43.14 C ATOM 3669 O ASP B 116 1.373 10.103 21.742 1.00 21.31 O ATOM 3670 CB ASP B 116 -1.701 8.808 21.226 1.00 75.43 C ATOM 3671 CG ASP B 116 -1.790 10.063 20.368 1.00 20.42 C ATOM 3672 OD1 ASP B 116 -1.700 11.185 20.918 1.00 45.35 O ATOM 3673 OD2 ASP B 116 -1.937 9.935 19.133 1.00 32.45 O1- ATOM 0 H ASP B 116 -1.097 6.656 22.329 1.00 33.05 H new ATOM 0 HA ASP B 116 0.233 8.251 20.467 1.00 4.03 H new ATOM 0 HB2 ASP B 116 -2.263 8.004 20.752 1.00 75.43 H new ATOM 0 HB3 ASP B 116 -2.168 8.996 22.193 1.00 75.43 H new ATOM 3678 N ARG B 117 0.110 9.536 23.532 1.00 65.05 N ATOM 3679 CA ARG B 117 0.676 10.555 24.410 1.00 30.34 C ATOM 3680 C ARG B 117 2.148 10.270 24.691 1.00 41.22 C ATOM 3681 O ARG B 117 2.983 11.177 24.670 1.00 22.44 O ATOM 3682 CB ARG B 117 -0.127 10.630 25.715 1.00 5.33 C ATOM 3683 CG ARG B 117 -0.210 9.301 26.453 1.00 52.02 C ATOM 3684 CD ARG B 117 -1.208 9.338 27.600 1.00 70.20 C ATOM 3685 NE ARG B 117 -0.783 10.230 28.682 1.00 35.41 N ATOM 3686 CZ ARG B 117 -0.094 9.847 29.761 1.00 33.14 C ATOM 3687 NH1 ARG B 117 0.290 8.580 29.900 1.00 12.31 N1+ ATOM 3688 NH2 ARG B 117 0.214 10.736 30.697 1.00 12.43 N ATOM 0 H ARG B 117 -0.583 8.936 23.978 1.00 65.05 H new ATOM 0 HA ARG B 117 0.614 11.521 23.909 1.00 30.34 H new ATOM 0 HB2 ARG B 117 0.328 11.373 26.370 1.00 5.33 H new ATOM 0 HB3 ARG B 117 -1.136 10.977 25.492 1.00 5.33 H new ATOM 0 HG2 ARG B 117 -0.495 8.516 25.752 1.00 52.02 H new ATOM 0 HG3 ARG B 117 0.775 9.041 26.840 1.00 52.02 H new ATOM 0 HD2 ARG B 117 -2.178 9.664 27.224 1.00 70.20 H new ATOM 0 HD3 ARG B 117 -1.341 8.331 27.995 1.00 70.20 H new ATOM 0 HE ARG B 117 -1.031 11.216 28.606 1.00 35.41 H new ATOM 0 HH11 ARG B 117 0.059 7.895 29.180 1.00 12.31 H new ATOM 0 HH12 ARG B 117 0.816 8.294 30.726 1.00 12.31 H new ATOM 0 HH21 ARG B 117 -0.075 11.708 30.592 1.00 12.43 H new ATOM 0 HH22 ARG B 117 0.740 10.447 31.522 1.00 12.43 H new ATOM 3702 N ALA B 118 2.470 8.999 24.927 1.00 61.11 N ATOM 3703 CA ALA B 118 3.851 8.590 25.157 1.00 4.01 C ATOM 3704 C ALA B 118 4.695 8.883 23.918 1.00 4.12 C ATOM 3705 O ALA B 118 5.836 9.337 24.011 1.00 22.32 O ATOM 3706 CB ALA B 118 3.909 7.108 25.518 1.00 4.44 C ATOM 0 H ALA B 118 1.793 8.237 24.964 1.00 61.11 H new ATOM 0 HA ALA B 118 4.258 9.159 25.993 1.00 4.01 H new ATOM 0 HB1 ALA B 118 4.945 6.815 25.687 1.00 4.44 H new ATOM 0 HB2 ALA B 118 3.329 6.931 26.424 1.00 4.44 H new ATOM 0 HB3 ALA B 118 3.494 6.518 24.701 1.00 4.44 H new ATOM 3712 N HIS B 119 4.099 8.647 22.754 1.00 53.54 N ATOM 3713 CA HIS B 119 4.754 8.883 21.473 1.00 31.05 C ATOM 3714 C HIS B 119 4.615 10.353 21.058 1.00 22.51 C ATOM 3715 O HIS B 119 4.950 10.727 19.931 1.00 73.21 O ATOM 3716 CB HIS B 119 4.124 7.968 20.414 1.00 24.30 C ATOM 3717 CG HIS B 119 4.979 7.724 19.216 1.00 50.32 C ATOM 3718 ND1 HIS B 119 4.888 8.456 18.056 1.00 33.22 N ATOM 3719 CD2 HIS B 119 5.935 6.798 19.000 1.00 55.12 C ATOM 3720 CE1 HIS B 119 5.752 7.987 17.179 1.00 74.31 C ATOM 3721 NE2 HIS B 119 6.406 6.980 17.726 1.00 22.51 N ATOM 0 H HIS B 119 3.148 8.287 22.672 1.00 53.54 H new ATOM 0 HA HIS B 119 5.817 8.659 21.565 1.00 31.05 H new ATOM 0 HB2 HIS B 119 3.886 7.010 20.876 1.00 24.30 H new ATOM 0 HB3 HIS B 119 3.181 8.407 20.088 1.00 24.30 H new ATOM 0 HD1 HIS B 119 4.252 9.238 17.899 1.00 33.22 H new ATOM 0 HD2 HIS B 119 6.269 6.049 19.703 1.00 55.12 H new ATOM 0 HE1 HIS B 119 5.900 8.364 16.178 1.00 74.31 H new ATOM 3730 N HIS B 120 4.074 11.170 21.958 1.00 35.12 N ATOM 3731 CA HIS B 120 3.925 12.610 21.728 1.00 61.52 C ATOM 3732 C HIS B 120 4.896 13.410 22.599 1.00 22.12 C ATOM 3733 O HIS B 120 5.437 14.424 22.165 1.00 21.30 O ATOM 3734 CB HIS B 120 2.478 13.044 22.004 1.00 61.10 C ATOM 3735 CG HIS B 120 2.230 14.516 21.843 1.00 45.20 C ATOM 3736 ND1 HIS B 120 1.625 15.283 22.813 1.00 23.40 N ATOM 3737 CD2 HIS B 120 2.491 15.358 20.813 1.00 61.34 C ATOM 3738 CE1 HIS B 120 1.523 16.527 22.391 1.00 14.23 C ATOM 3739 NE2 HIS B 120 2.043 16.603 21.181 1.00 33.30 N ATOM 0 H HIS B 120 3.727 10.857 22.865 1.00 35.12 H new ATOM 0 HA HIS B 120 4.162 12.814 20.684 1.00 61.52 H new ATOM 0 HB2 HIS B 120 1.814 12.501 21.332 1.00 61.10 H new ATOM 0 HB3 HIS B 120 2.212 12.752 23.020 1.00 61.10 H new ATOM 0 HD2 HIS B 120 2.963 15.098 19.877 1.00 61.34 H new ATOM 0 HE1 HIS B 120 1.087 17.347 22.943 1.00 14.23 H new ATOM 0 HE2 HIS B 120 2.103 17.448 20.612 1.00 33.30 H new ATOM 3748 N VAL B 121 5.105 12.952 23.832 1.00 53.34 N ATOM 3749 CA VAL B 121 5.949 13.671 24.789 1.00 2.11 C ATOM 3750 C VAL B 121 7.431 13.322 24.624 1.00 31.12 C ATOM 3751 O VAL B 121 8.301 14.171 24.827 1.00 43.14 O ATOM 3752 CB VAL B 121 5.513 13.394 26.253 1.00 52.03 C ATOM 3753 CG1 VAL B 121 4.080 13.873 26.486 1.00 41.33 C ATOM 3754 CG2 VAL B 121 5.654 11.909 26.600 1.00 63.42 C ATOM 0 H VAL B 121 4.703 12.087 24.193 1.00 53.34 H new ATOM 0 HA VAL B 121 5.818 14.732 24.574 1.00 2.11 H new ATOM 0 HB VAL B 121 6.174 13.954 26.914 1.00 52.03 H new ATOM 0 HG11 VAL B 121 3.792 13.670 27.518 1.00 41.33 H new ATOM 0 HG12 VAL B 121 4.019 14.945 26.296 1.00 41.33 H new ATOM 0 HG13 VAL B 121 3.406 13.346 25.811 1.00 41.33 H new ATOM 0 HG21 VAL B 121 5.342 11.745 27.631 1.00 63.42 H new ATOM 0 HG22 VAL B 121 5.027 11.318 25.932 1.00 63.42 H new ATOM 0 HG23 VAL B 121 6.694 11.605 26.484 1.00 63.42 H new ATOM 3764 N CYS B 122 7.714 12.077 24.252 1.00 64.23 N ATOM 3765 CA CYS B 122 9.092 11.604 24.134 1.00 24.42 C ATOM 3766 C CYS B 122 9.754 12.111 22.846 1.00 23.34 C ATOM 3767 O CYS B 122 9.098 12.210 21.800 1.00 74.53 O ATOM 3768 CB CYS B 122 9.118 10.072 24.173 1.00 15.34 C ATOM 3769 SG CYS B 122 8.371 9.365 25.659 1.00 14.44 S ATOM 0 H CYS B 122 7.008 11.376 24.027 1.00 64.23 H new ATOM 0 HA CYS B 122 9.660 12.001 24.976 1.00 24.42 H new ATOM 0 HB2 CYS B 122 8.596 9.687 23.297 1.00 15.34 H new ATOM 0 HB3 CYS B 122 10.152 9.734 24.102 1.00 15.34 H new ATOM 0 HG CYS B 122 7.104 9.159 25.452 1.00 14.44 H new ATOM 3775 N PRO B 123 11.065 12.450 22.910 1.00 45.45 N ATOM 3776 CA PRO B 123 11.850 12.837 21.725 1.00 1.30 C ATOM 3777 C PRO B 123 11.857 11.728 20.671 1.00 21.43 C ATOM 3778 O PRO B 123 11.497 10.587 20.974 1.00 1.12 O ATOM 3779 CB PRO B 123 13.266 13.072 22.283 1.00 65.25 C ATOM 3780 CG PRO B 123 13.067 13.330 23.738 1.00 12.41 C ATOM 3781 CD PRO B 123 11.879 12.498 24.142 1.00 30.51 C ATOM 0 HA PRO B 123 11.439 13.713 21.223 1.00 1.30 H new ATOM 0 HB2 PRO B 123 13.904 12.204 22.119 1.00 65.25 H new ATOM 0 HB3 PRO B 123 13.748 13.919 21.794 1.00 65.25 H new ATOM 0 HG2 PRO B 123 13.952 13.051 24.309 1.00 12.41 H new ATOM 0 HG3 PRO B 123 12.886 14.388 23.927 1.00 12.41 H new ATOM 0 HD2 PRO B 123 12.177 11.501 24.466 1.00 30.51 H new ATOM 0 HD3 PRO B 123 11.332 12.952 24.968 1.00 30.51 H new ATOM 3789 N TYR B 124 12.284 12.066 19.447 1.00 44.15 N ATOM 3790 CA TYR B 124 12.234 11.150 18.291 1.00 41.53 C ATOM 3791 C TYR B 124 10.785 10.932 17.848 1.00 41.03 C ATOM 3792 O TYR B 124 10.428 11.194 16.701 1.00 24.42 O ATOM 3793 CB TYR B 124 12.892 9.782 18.592 1.00 11.44 C ATOM 3794 CG TYR B 124 14.374 9.845 18.929 1.00 34.02 C ATOM 3795 CD1 TYR B 124 15.343 9.375 18.041 1.00 62.34 C ATOM 3796 CD2 TYR B 124 14.804 10.370 20.143 1.00 4.11 C ATOM 3797 CE1 TYR B 124 16.683 9.431 18.361 1.00 22.14 C ATOM 3798 CE2 TYR B 124 16.143 10.428 20.463 1.00 2.53 C ATOM 3799 CZ TYR B 124 17.079 9.958 19.571 1.00 65.35 C ATOM 3800 OH TYR B 124 18.418 10.015 19.890 1.00 21.31 O ATOM 0 H TYR B 124 12.675 12.982 19.226 1.00 44.15 H new ATOM 0 HA TYR B 124 12.802 11.622 17.489 1.00 41.53 H new ATOM 0 HB2 TYR B 124 12.364 9.317 19.425 1.00 11.44 H new ATOM 0 HB3 TYR B 124 12.758 9.133 17.727 1.00 11.44 H new ATOM 0 HD1 TYR B 124 15.039 8.962 17.091 1.00 62.34 H new ATOM 0 HD2 TYR B 124 14.074 10.739 20.848 1.00 4.11 H new ATOM 0 HE1 TYR B 124 17.421 9.062 17.664 1.00 22.14 H new ATOM 0 HE2 TYR B 124 16.457 10.841 21.410 1.00 2.53 H new ATOM 0 HH TYR B 124 18.953 9.937 19.072 1.00 21.31 H new ATOM 3810 N SER B 125 9.960 10.471 18.785 1.00 44.35 N ATOM 3811 CA SER B 125 8.563 10.145 18.538 1.00 1.10 C ATOM 3812 C SER B 125 7.828 11.236 17.755 1.00 64.23 C ATOM 3813 O SER B 125 7.103 10.936 16.807 1.00 63.41 O ATOM 3814 CB SER B 125 7.876 9.884 19.876 1.00 3.32 C ATOM 3815 OG SER B 125 8.522 8.830 20.569 1.00 24.10 O ATOM 0 H SER B 125 10.250 10.312 19.750 1.00 44.35 H new ATOM 0 HA SER B 125 8.529 9.252 17.914 1.00 1.10 H new ATOM 0 HB2 SER B 125 7.892 10.790 20.483 1.00 3.32 H new ATOM 0 HB3 SER B 125 6.829 9.630 19.710 1.00 3.32 H new ATOM 0 HG SER B 125 8.744 8.112 19.940 1.00 24.10 H new ATOM 3821 N ASN B 126 8.019 12.492 18.143 1.00 74.24 N ATOM 3822 CA ASN B 126 7.378 13.614 17.450 1.00 34.45 C ATOM 3823 C ASN B 126 7.793 13.638 15.979 1.00 33.32 C ATOM 3824 O ASN B 126 6.951 13.640 15.073 1.00 24.11 O ATOM 3825 CB ASN B 126 7.741 14.948 18.125 1.00 64.21 C ATOM 3826 CG ASN B 126 7.015 15.155 19.444 1.00 24.21 C ATOM 3827 OD1 ASN B 126 5.923 15.723 19.478 1.00 13.11 O ATOM 3828 ND2 ASN B 126 7.612 14.706 20.540 1.00 21.23 N ATOM 0 H ASN B 126 8.609 12.763 18.930 1.00 74.24 H new ATOM 0 HA ASN B 126 6.298 13.480 17.508 1.00 34.45 H new ATOM 0 HB2 ASN B 126 8.817 14.982 18.298 1.00 64.21 H new ATOM 0 HB3 ASN B 126 7.501 15.769 17.450 1.00 64.21 H new ATOM 0 HD21 ASN B 126 7.166 14.827 21.449 1.00 21.23 H new ATOM 0 HD22 ASN B 126 8.517 14.240 20.473 1.00 21.23 H new ATOM 3835 N ALA B 127 9.098 13.603 15.763 1.00 42.24 N ATOM 3836 CA ALA B 127 9.682 13.636 14.434 1.00 65.30 C ATOM 3837 C ALA B 127 9.312 12.406 13.621 1.00 53.42 C ATOM 3838 O ALA B 127 9.302 12.441 12.401 1.00 63.33 O ATOM 3839 CB ALA B 127 11.194 13.723 14.549 1.00 44.52 C ATOM 0 H ALA B 127 9.787 13.550 16.513 1.00 42.24 H new ATOM 0 HA ALA B 127 9.287 14.511 13.919 1.00 65.30 H new ATOM 0 HB1 ALA B 127 11.634 13.748 13.552 1.00 44.52 H new ATOM 0 HB2 ALA B 127 11.466 14.630 15.088 1.00 44.52 H new ATOM 0 HB3 ALA B 127 11.568 12.853 15.089 1.00 44.52 H new ATOM 3845 N THR B 128 8.972 11.325 14.291 1.00 13.32 N ATOM 3846 CA THR B 128 8.873 10.043 13.622 1.00 55.14 C ATOM 3847 C THR B 128 7.420 9.759 13.283 1.00 13.14 C ATOM 3848 O THR B 128 7.100 8.784 12.614 1.00 21.45 O ATOM 3849 CB THR B 128 9.474 8.912 14.497 1.00 41.45 C ATOM 3850 OG1 THR B 128 9.930 7.832 13.674 1.00 41.22 O ATOM 3851 CG2 THR B 128 8.459 8.381 15.497 1.00 11.25 C ATOM 0 H THR B 128 8.761 11.306 15.289 1.00 13.32 H new ATOM 0 HA THR B 128 9.450 10.079 12.698 1.00 55.14 H new ATOM 0 HB THR B 128 10.314 9.338 15.045 1.00 41.45 H new ATOM 0 HG1 THR B 128 10.308 7.127 14.240 1.00 41.22 H new ATOM 0 HG21 THR B 128 8.915 7.590 16.093 1.00 11.25 H new ATOM 0 HG22 THR B 128 8.137 9.190 16.153 1.00 11.25 H new ATOM 0 HG23 THR B 128 7.597 7.982 14.963 1.00 11.25 H new ATOM 3859 N ARG B 129 6.541 10.644 13.732 1.00 41.51 N ATOM 3860 CA ARG B 129 5.119 10.479 13.515 1.00 75.21 C ATOM 3861 C ARG B 129 4.594 11.589 12.612 1.00 73.32 C ATOM 3862 O ARG B 129 3.981 11.326 11.577 1.00 44.41 O ATOM 3863 CB ARG B 129 4.378 10.456 14.864 1.00 21.01 C ATOM 3864 CG ARG B 129 4.471 11.741 15.680 1.00 45.10 C ATOM 3865 CD ARG B 129 3.792 11.601 17.039 1.00 21.21 C ATOM 3866 NE ARG B 129 2.349 11.369 16.918 1.00 2.44 N ATOM 3867 CZ ARG B 129 1.530 11.128 17.947 1.00 0.21 C ATOM 3868 NH1 ARG B 129 2.005 11.087 19.189 1.00 5.12 N1+ ATOM 3869 NH2 ARG B 129 0.235 10.930 17.724 1.00 44.44 N ATOM 0 H ARG B 129 6.794 11.485 14.250 1.00 41.51 H new ATOM 0 HA ARG B 129 4.939 9.527 13.016 1.00 75.21 H new ATOM 0 HB2 ARG B 129 3.326 10.238 14.679 1.00 21.01 H new ATOM 0 HB3 ARG B 129 4.773 9.635 15.463 1.00 21.01 H new ATOM 0 HG2 ARG B 129 5.519 12.005 15.823 1.00 45.10 H new ATOM 0 HG3 ARG B 129 4.009 12.558 15.125 1.00 45.10 H new ATOM 0 HD2 ARG B 129 4.246 10.775 17.586 1.00 21.21 H new ATOM 0 HD3 ARG B 129 3.965 12.504 17.624 1.00 21.21 H new ATOM 0 HE ARG B 129 1.942 11.393 15.983 1.00 2.44 H new ATOM 0 HH11 ARG B 129 2.999 11.240 19.360 1.00 5.12 H new ATOM 0 HH12 ARG B 129 1.375 10.903 19.970 1.00 5.12 H new ATOM 0 HH21 ARG B 129 -0.129 10.962 16.772 1.00 44.44 H new ATOM 0 HH22 ARG B 129 -0.395 10.746 18.505 1.00 44.44 H new ATOM 3883 N ASN B 130 4.839 12.828 13.016 1.00 21.53 N ATOM 3884 CA ASN B 130 4.361 13.992 12.286 1.00 53.34 C ATOM 3885 C ASN B 130 5.237 14.298 11.078 1.00 22.35 C ATOM 3886 O ASN B 130 4.782 14.909 10.108 1.00 70.41 O ATOM 3887 CB ASN B 130 4.278 15.198 13.227 1.00 70.21 C ATOM 3888 CG ASN B 130 3.236 14.993 14.318 1.00 33.52 C ATOM 3889 OD1 ASN B 130 2.150 14.467 14.068 1.00 60.32 O ATOM 3890 ND2 ASN B 130 3.574 15.357 15.544 1.00 74.14 N ATOM 0 H ASN B 130 5.373 13.053 13.856 1.00 21.53 H new ATOM 0 HA ASN B 130 3.363 13.771 11.907 1.00 53.34 H new ATOM 0 HB2 ASN B 130 5.253 15.371 13.683 1.00 70.21 H new ATOM 0 HB3 ASN B 130 4.032 16.091 12.653 1.00 70.21 H new ATOM 0 HD21 ASN B 130 2.927 15.205 16.318 1.00 74.14 H new ATOM 0 HD22 ASN B 130 4.481 15.790 15.716 1.00 74.14 H new ATOM 3897 N ASN B 131 6.499 13.885 11.147 1.00 34.23 N ATOM 3898 CA ASN B 131 7.459 14.151 10.075 1.00 31.43 C ATOM 3899 C ASN B 131 7.710 12.888 9.251 1.00 54.44 C ATOM 3900 O ASN B 131 7.759 12.934 8.022 1.00 13.44 O ATOM 3901 CB ASN B 131 8.787 14.656 10.665 1.00 3.33 C ATOM 3902 CG ASN B 131 9.718 15.279 9.628 1.00 61.21 C ATOM 3903 OD1 ASN B 131 10.940 15.226 9.771 1.00 75.43 O ATOM 3904 ND2 ASN B 131 9.157 15.880 8.585 1.00 34.33 N ATOM 0 H ASN B 131 6.883 13.364 11.935 1.00 34.23 H new ATOM 0 HA ASN B 131 7.040 14.918 9.424 1.00 31.43 H new ATOM 0 HB2 ASN B 131 8.574 15.393 11.439 1.00 3.33 H new ATOM 0 HB3 ASN B 131 9.300 13.825 11.149 1.00 3.33 H new ATOM 0 HD21 ASN B 131 9.742 16.316 7.872 1.00 34.33 H new ATOM 0 HD22 ASN B 131 8.141 15.906 8.497 1.00 34.33 H new ATOM 3911 N VAL B 132 7.834 11.760 9.943 1.00 52.13 N ATOM 3912 CA VAL B 132 8.217 10.489 9.318 1.00 11.30 C ATOM 3913 C VAL B 132 7.046 9.500 9.352 1.00 11.32 C ATOM 3914 O VAL B 132 6.132 9.639 10.170 1.00 35.23 O ATOM 3915 CB VAL B 132 9.458 9.877 10.034 1.00 15.30 C ATOM 3916 CG1 VAL B 132 9.928 8.593 9.348 1.00 32.53 C ATOM 3917 CG2 VAL B 132 10.598 10.898 10.111 1.00 3.12 C ATOM 0 H VAL B 132 7.674 11.696 10.948 1.00 52.13 H new ATOM 0 HA VAL B 132 8.478 10.686 8.278 1.00 11.30 H new ATOM 0 HB VAL B 132 9.157 9.617 11.049 1.00 15.30 H new ATOM 0 HG11 VAL B 132 10.795 8.195 9.875 1.00 32.53 H new ATOM 0 HG12 VAL B 132 9.124 7.857 9.364 1.00 32.53 H new ATOM 0 HG13 VAL B 132 10.200 8.811 8.315 1.00 32.53 H new ATOM 0 HG21 VAL B 132 11.454 10.450 10.615 1.00 3.12 H new ATOM 0 HG22 VAL B 132 10.886 11.199 9.104 1.00 3.12 H new ATOM 0 HG23 VAL B 132 10.266 11.773 10.670 1.00 3.12 H new ATOM 3927 N ALA B 133 7.069 8.513 8.456 1.00 53.04 N ATOM 3928 CA ALA B 133 5.976 7.551 8.332 1.00 53.01 C ATOM 3929 C ALA B 133 6.145 6.356 9.260 1.00 72.23 C ATOM 3930 O ALA B 133 6.629 5.286 8.864 1.00 0.23 O ATOM 3931 CB ALA B 133 5.824 7.098 6.885 1.00 11.23 C ATOM 0 H ALA B 133 7.837 8.359 7.803 1.00 53.04 H new ATOM 0 HA ALA B 133 5.063 8.061 8.639 1.00 53.01 H new ATOM 0 HB1 ALA B 133 5.005 6.382 6.812 1.00 11.23 H new ATOM 0 HB2 ALA B 133 5.609 7.961 6.254 1.00 11.23 H new ATOM 0 HB3 ALA B 133 6.749 6.627 6.552 1.00 11.23 H new ATOM 3937 N VAL B 134 5.755 6.563 10.506 1.00 34.41 N ATOM 3938 CA VAL B 134 5.622 5.483 11.465 1.00 31.34 C ATOM 3939 C VAL B 134 4.149 5.262 11.785 1.00 33.12 C ATOM 3940 O VAL B 134 3.475 6.166 12.290 1.00 12.15 O ATOM 3941 CB VAL B 134 6.376 5.765 12.782 1.00 33.43 C ATOM 3942 CG1 VAL B 134 6.152 4.619 13.757 1.00 61.10 C ATOM 3943 CG2 VAL B 134 7.865 5.979 12.534 1.00 5.41 C ATOM 0 H VAL B 134 5.522 7.483 10.880 1.00 34.41 H new ATOM 0 HA VAL B 134 6.061 4.596 11.009 1.00 31.34 H new ATOM 0 HB VAL B 134 5.982 6.684 13.215 1.00 33.43 H new ATOM 0 HG11 VAL B 134 6.686 4.822 14.685 1.00 61.10 H new ATOM 0 HG12 VAL B 134 5.086 4.521 13.965 1.00 61.10 H new ATOM 0 HG13 VAL B 134 6.523 3.692 13.320 1.00 61.10 H new ATOM 0 HG21 VAL B 134 8.367 6.175 13.481 1.00 5.41 H new ATOM 0 HG22 VAL B 134 8.290 5.085 12.076 1.00 5.41 H new ATOM 0 HG23 VAL B 134 8.004 6.829 11.867 1.00 5.41 H new ATOM 3953 N ARG B 135 3.649 4.072 11.484 1.00 11.21 N ATOM 3954 CA ARG B 135 2.267 3.723 11.787 1.00 24.23 C ATOM 3955 C ARG B 135 2.198 3.089 13.173 1.00 24.22 C ATOM 3956 O ARG B 135 2.656 1.961 13.375 1.00 54.44 O ATOM 3957 CB ARG B 135 1.694 2.777 10.713 1.00 74.32 C ATOM 3958 CG ARG B 135 0.186 2.529 10.843 1.00 34.13 C ATOM 3959 CD ARG B 135 -0.143 1.187 11.497 1.00 2.43 C ATOM 3960 NE ARG B 135 0.097 0.059 10.590 1.00 1.50 N ATOM 3961 CZ ARG B 135 -0.800 -0.398 9.707 1.00 23.13 C ATOM 3962 NH1 ARG B 135 -2.004 0.157 9.620 1.00 1.54 N1+ ATOM 3963 NH2 ARG B 135 -0.495 -1.421 8.919 1.00 14.33 N ATOM 0 H ARG B 135 4.181 3.330 11.029 1.00 11.21 H new ATOM 0 HA ARG B 135 1.658 4.627 11.783 1.00 24.23 H new ATOM 0 HB2 ARG B 135 1.900 3.195 9.728 1.00 74.32 H new ATOM 0 HB3 ARG B 135 2.215 1.821 10.769 1.00 74.32 H new ATOM 0 HG2 ARG B 135 -0.260 3.332 11.430 1.00 34.13 H new ATOM 0 HG3 ARG B 135 -0.270 2.566 9.854 1.00 34.13 H new ATOM 0 HD2 ARG B 135 0.461 1.064 12.396 1.00 2.43 H new ATOM 0 HD3 ARG B 135 -1.187 1.183 11.812 1.00 2.43 H new ATOM 0 HE ARG B 135 1.004 -0.406 10.635 1.00 1.50 H new ATOM 0 HH11 ARG B 135 -2.251 0.937 10.229 1.00 1.54 H new ATOM 0 HH12 ARG B 135 -2.681 -0.197 8.945 1.00 1.54 H new ATOM 0 HH21 ARG B 135 0.423 -1.860 8.986 1.00 14.33 H new ATOM 0 HH22 ARG B 135 -1.179 -1.768 8.247 1.00 14.33 H new ATOM 3977 N LEU B 136 1.656 3.837 14.131 1.00 62.51 N ATOM 3978 CA LEU B 136 1.519 3.359 15.502 1.00 72.41 C ATOM 3979 C LEU B 136 0.428 2.303 15.589 1.00 41.21 C ATOM 3980 O LEU B 136 -0.760 2.601 15.450 1.00 33.52 O ATOM 3981 CB LEU B 136 1.225 4.523 16.463 1.00 60.04 C ATOM 3982 CG LEU B 136 2.446 5.385 16.822 1.00 34.22 C ATOM 3983 CD1 LEU B 136 2.041 6.568 17.698 1.00 41.31 C ATOM 3984 CD2 LEU B 136 3.504 4.536 17.526 1.00 0.00 C ATOM 0 H LEU B 136 1.303 4.782 13.980 1.00 62.51 H new ATOM 0 HA LEU B 136 2.464 2.906 15.801 1.00 72.41 H new ATOM 0 HB2 LEU B 136 0.465 5.163 16.015 1.00 60.04 H new ATOM 0 HB3 LEU B 136 0.800 4.119 17.382 1.00 60.04 H new ATOM 0 HG LEU B 136 2.870 5.779 15.898 1.00 34.22 H new ATOM 0 HD11 LEU B 136 2.923 7.162 17.938 1.00 41.31 H new ATOM 0 HD12 LEU B 136 1.321 7.187 17.163 1.00 41.31 H new ATOM 0 HD13 LEU B 136 1.589 6.201 18.620 1.00 41.31 H new ATOM 0 HD21 LEU B 136 4.364 5.158 17.775 1.00 0.00 H new ATOM 0 HD22 LEU B 136 3.084 4.115 18.440 1.00 0.00 H new ATOM 0 HD23 LEU B 136 3.820 3.728 16.866 1.00 0.00 H new ATOM 3996 N VAL B 137 0.851 1.070 15.802 1.00 22.01 N ATOM 3997 CA VAL B 137 -0.050 -0.062 15.911 1.00 61.13 C ATOM 3998 C VAL B 137 0.034 -0.659 17.313 1.00 31.22 C ATOM 3999 O VAL B 137 1.070 -1.172 17.730 1.00 63.04 O ATOM 4000 CB VAL B 137 0.255 -1.129 14.820 1.00 72.22 C ATOM 4001 CG1 VAL B 137 1.749 -1.171 14.506 1.00 20.11 C ATOM 4002 CG2 VAL B 137 -0.249 -2.513 15.239 1.00 5.14 C ATOM 0 H VAL B 137 1.836 0.825 15.905 1.00 22.01 H new ATOM 0 HA VAL B 137 -1.070 0.285 15.744 1.00 61.13 H new ATOM 0 HB VAL B 137 -0.278 -0.840 13.915 1.00 72.22 H new ATOM 0 HG11 VAL B 137 1.939 -1.924 13.741 1.00 20.11 H new ATOM 0 HG12 VAL B 137 2.072 -0.195 14.143 1.00 20.11 H new ATOM 0 HG13 VAL B 137 2.304 -1.424 15.410 1.00 20.11 H new ATOM 0 HG21 VAL B 137 -0.021 -3.236 14.456 1.00 5.14 H new ATOM 0 HG22 VAL B 137 0.242 -2.814 16.165 1.00 5.14 H new ATOM 0 HG23 VAL B 137 -1.327 -2.476 15.395 1.00 5.14 H new ATOM 4012 N VAL B 138 -1.064 -0.562 18.041 1.00 51.04 N ATOM 4013 CA VAL B 138 -1.130 -1.035 19.412 1.00 24.22 C ATOM 4014 C VAL B 138 -1.558 -2.492 19.426 1.00 70.52 C ATOM 4015 O VAL B 138 -2.410 -2.912 18.635 1.00 62.24 O ATOM 4016 CB VAL B 138 -2.089 -0.194 20.282 1.00 51.45 C ATOM 4017 CG1 VAL B 138 -1.828 1.296 20.089 1.00 13.13 C ATOM 4018 CG2 VAL B 138 -3.532 -0.556 19.983 1.00 0.20 C ATOM 0 H VAL B 138 -1.934 -0.154 17.699 1.00 51.04 H new ATOM 0 HA VAL B 138 -0.134 -0.932 19.844 1.00 24.22 H new ATOM 0 HB VAL B 138 -1.901 -0.423 21.331 1.00 51.45 H new ATOM 0 HG11 VAL B 138 -2.515 1.869 20.711 1.00 13.13 H new ATOM 0 HG12 VAL B 138 -0.802 1.526 20.375 1.00 13.13 H new ATOM 0 HG13 VAL B 138 -1.981 1.560 19.042 1.00 13.13 H new ATOM 0 HG21 VAL B 138 -4.195 0.046 20.605 1.00 0.20 H new ATOM 0 HG22 VAL B 138 -3.745 -0.362 18.932 1.00 0.20 H new ATOM 0 HG23 VAL B 138 -3.694 -1.612 20.197 1.00 0.20 H new ATOM 4028 N ALA B 139 -0.916 -3.254 20.279 1.00 41.23 N ATOM 4029 CA ALA B 139 -1.114 -4.695 20.334 1.00 52.34 C ATOM 4030 C ALA B 139 -2.583 -5.056 20.585 1.00 22.31 C ATOM 4031 O ALA B 139 -3.038 -4.957 21.742 1.00 10.42 O ATOM 4032 CB ALA B 139 -0.212 -5.303 21.398 1.00 71.35 C ATOM 4033 OXT ALA B 139 -3.272 -5.455 19.619 1.00 0.00 O1- ATOM 0 H ALA B 139 -0.241 -2.900 20.957 1.00 41.23 H new ATOM 0 HA ALA B 139 -0.845 -5.112 19.364 1.00 52.34 H new ATOM 0 HB1 ALA B 139 -0.366 -6.381 21.433 1.00 71.35 H new ATOM 0 HB2 ALA B 139 0.830 -5.093 21.155 1.00 71.35 H new ATOM 0 HB3 ALA B 139 -0.452 -4.871 22.369 1.00 71.35 H new TER 4039 ALA B 139