USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 863 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 7 TYR OH : rot -35:sc= -0.14 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0.131 USER MOD Set 2.1: A 4 CYS SG : rot 180:sc= 1.12 USER MOD Set 2.2: A 64 THR OG1 : rot -59:sc= 1.42 USER MOD Single : A 1 MET CE :methyl -139:sc= -7.48! (180deg=-9.06!) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.252 (180deg=0.162) USER MOD Single : A 2 THR OG1 : rot 112:sc= 1.06 USER MOD Single : A 6 MET CE :methyl -178:sc= 0 (180deg=-0.00686) USER MOD Single : A 8 ASN : amide:sc= -3.6! C(o=-3.6!,f=-4.5!) USER MOD Single : A 10 SER OG : rot -91:sc= 1.16 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 39:sc= -0.0204 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0151 USER MOD Single : A 40 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.2) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 135:sc= -1.58 (180deg=-3.22!) USER MOD Single : A 46 MET CE :methyl -163:sc= -0.0232 (180deg=-0.331) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 60:sc= 0.871 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.134 F(o=-1.4,f=-0.13) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -131:sc= -1.32 (180deg=-5.24!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -127:sc= 0.0312 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0857 F(o=-0.68,f=-0.086) USER MOD Single : A 88 MET CE :methyl 136:sc= -8.73! (180deg=-13.3!) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc=-0.00983 (180deg=-0.144) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -75:sc= 1.23 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 161:sc= -0.136 (180deg=-0.528) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.530 -0.123 0.330 1.00 11.11 N ATOM 2 CA MET A 1 2.166 -0.101 -0.982 1.00 71.11 C ATOM 3 C MET A 1 3.537 -0.769 -0.933 1.00 54.30 C ATOM 4 O MET A 1 4.047 -1.085 0.142 1.00 32.32 O ATOM 5 CB MET A 1 2.304 1.338 -1.482 1.00 3.34 C ATOM 6 CG MET A 1 2.423 2.361 -0.363 1.00 63.13 C ATOM 7 SD MET A 1 3.850 2.065 0.699 1.00 13.24 S ATOM 8 CE MET A 1 5.155 1.923 -0.518 1.00 44.44 C ATOM 0 H1 MET A 1 0.664 0.452 0.306 1.00 11.11 H new ATOM 0 H2 MET A 1 1.288 -1.103 0.582 1.00 11.11 H new ATOM 0 H3 MET A 1 2.184 0.266 1.039 1.00 11.11 H new ATOM 0 HA MET A 1 1.534 -0.659 -1.674 1.00 71.11 H new ATOM 0 HB2 MET A 1 3.183 1.409 -2.123 1.00 3.34 H new ATOM 0 HB3 MET A 1 1.439 1.584 -2.098 1.00 3.34 H new ATOM 0 HG2 MET A 1 2.497 3.359 -0.795 1.00 63.13 H new ATOM 0 HG3 MET A 1 1.515 2.341 0.240 1.00 63.13 H new ATOM 0 HE1 MET A 1 5.827 1.112 -0.238 1.00 44.44 H new ATOM 0 HE2 MET A 1 4.720 1.712 -1.495 1.00 44.44 H new ATOM 0 HE3 MET A 1 5.713 2.858 -0.564 1.00 44.44 H new ATOM 18 N THR A 2 4.129 -0.981 -2.104 1.00 41.21 N ATOM 19 CA THR A 2 5.440 -1.612 -2.194 1.00 54.15 C ATOM 20 C THR A 2 6.525 -0.585 -2.496 1.00 52.15 C ATOM 21 O THR A 2 6.379 0.241 -3.399 1.00 32.22 O ATOM 22 CB THR A 2 5.464 -2.703 -3.282 1.00 1.32 C ATOM 23 OG1 THR A 2 4.149 -3.236 -3.470 1.00 74.23 O ATOM 24 CG2 THR A 2 6.422 -3.823 -2.903 1.00 54.45 C ATOM 0 H THR A 2 3.721 -0.725 -3.003 1.00 41.21 H new ATOM 0 HA THR A 2 5.638 -2.071 -1.225 1.00 54.15 H new ATOM 0 HB THR A 2 5.808 -2.251 -4.212 1.00 1.32 H new ATOM 0 HG1 THR A 2 3.816 -2.980 -4.355 1.00 74.23 H new ATOM 0 HG21 THR A 2 6.422 -4.582 -3.686 1.00 54.45 H new ATOM 0 HG22 THR A 2 7.428 -3.419 -2.789 1.00 54.45 H new ATOM 0 HG23 THR A 2 6.103 -4.272 -1.962 1.00 54.45 H new ATOM 32 N LEU A 3 7.614 -0.641 -1.737 1.00 74.15 N ATOM 33 CA LEU A 3 8.725 0.285 -1.925 1.00 24.44 C ATOM 34 C LEU A 3 9.985 -0.458 -2.359 1.00 0.12 C ATOM 35 O LEU A 3 10.357 -1.470 -1.764 1.00 2.13 O ATOM 36 CB LEU A 3 8.995 1.057 -0.632 1.00 31.10 C ATOM 37 CG LEU A 3 8.940 2.581 -0.737 1.00 15.40 C ATOM 38 CD1 LEU A 3 8.012 3.005 -1.865 1.00 42.43 C ATOM 39 CD2 LEU A 3 8.490 3.191 0.583 1.00 71.11 C ATOM 0 H LEU A 3 7.751 -1.318 -0.986 1.00 74.15 H new ATOM 0 HA LEU A 3 8.451 0.989 -2.711 1.00 24.44 H new ATOM 0 HB2 LEU A 3 8.270 0.738 0.116 1.00 31.10 H new ATOM 0 HB3 LEU A 3 9.980 0.774 -0.262 1.00 31.10 H new ATOM 0 HG LEU A 3 9.942 2.947 -0.961 1.00 15.40 H new ATOM 0 HD11 LEU A 3 7.985 4.093 -1.925 1.00 42.43 H new ATOM 0 HD12 LEU A 3 8.377 2.599 -2.808 1.00 42.43 H new ATOM 0 HD13 LEU A 3 7.008 2.628 -1.671 1.00 42.43 H new ATOM 0 HD21 LEU A 3 8.457 4.276 0.490 1.00 71.11 H new ATOM 0 HD22 LEU A 3 7.498 2.818 0.837 1.00 71.11 H new ATOM 0 HD23 LEU A 3 9.193 2.916 1.369 1.00 71.11 H new ATOM 51 N CYS A 4 10.638 0.052 -3.397 1.00 53.22 N ATOM 52 CA CYS A 4 11.857 -0.562 -3.910 1.00 42.14 C ATOM 53 C CYS A 4 13.025 0.418 -3.854 1.00 32.24 C ATOM 54 O CYS A 4 12.829 1.633 -3.855 1.00 21.24 O ATOM 55 CB CYS A 4 11.646 -1.040 -5.348 1.00 3.13 C ATOM 56 SG CYS A 4 12.720 -0.233 -6.559 1.00 34.41 S ATOM 0 H CYS A 4 10.344 0.889 -3.900 1.00 53.22 H new ATOM 0 HA CYS A 4 12.095 -1.419 -3.280 1.00 42.14 H new ATOM 0 HB2 CYS A 4 11.813 -2.116 -5.390 1.00 3.13 H new ATOM 0 HB3 CYS A 4 10.607 -0.868 -5.628 1.00 3.13 H new ATOM 0 HG CYS A 4 12.469 -0.704 -7.744 1.00 34.41 H new ATOM 62 N ALA A 5 14.239 -0.119 -3.802 1.00 63.43 N ATOM 63 CA ALA A 5 15.438 0.707 -3.745 1.00 44.22 C ATOM 64 C ALA A 5 16.537 0.144 -4.640 1.00 72.43 C ATOM 65 O ALA A 5 16.704 -1.071 -4.743 1.00 24.21 O ATOM 66 CB ALA A 5 15.932 0.823 -2.311 1.00 13.15 C ATOM 0 H ALA A 5 14.418 -1.123 -3.798 1.00 63.43 H new ATOM 0 HA ALA A 5 15.181 1.701 -4.111 1.00 44.22 H new ATOM 0 HB1 ALA A 5 16.828 1.443 -2.284 1.00 13.15 H new ATOM 0 HB2 ALA A 5 15.157 1.279 -1.695 1.00 13.15 H new ATOM 0 HB3 ALA A 5 16.165 -0.169 -1.925 1.00 13.15 H new ATOM 72 N MET A 6 17.282 1.034 -5.287 1.00 10.22 N ATOM 73 CA MET A 6 18.365 0.624 -6.173 1.00 50.33 C ATOM 74 C MET A 6 19.711 1.118 -5.652 1.00 13.02 C ATOM 75 O MET A 6 19.900 2.314 -5.429 1.00 41.14 O ATOM 76 CB MET A 6 18.126 1.158 -7.587 1.00 14.42 C ATOM 77 CG MET A 6 18.052 2.675 -7.659 1.00 34.01 C ATOM 78 SD MET A 6 17.349 3.263 -9.212 1.00 32.02 S ATOM 79 CE MET A 6 18.666 2.855 -10.355 1.00 54.14 C ATOM 0 H MET A 6 17.156 2.044 -5.214 1.00 10.22 H new ATOM 0 HA MET A 6 18.384 -0.465 -6.202 1.00 50.33 H new ATOM 0 HB2 MET A 6 18.928 0.810 -8.238 1.00 14.42 H new ATOM 0 HB3 MET A 6 17.197 0.738 -7.973 1.00 14.42 H new ATOM 0 HG2 MET A 6 17.450 3.045 -6.829 1.00 34.01 H new ATOM 0 HG3 MET A 6 19.053 3.090 -7.537 1.00 34.01 H new ATOM 0 HE1 MET A 6 18.396 3.190 -11.356 1.00 54.14 H new ATOM 0 HE2 MET A 6 19.585 3.350 -10.042 1.00 54.14 H new ATOM 0 HE3 MET A 6 18.820 1.776 -10.363 1.00 54.14 H new ATOM 89 N TYR A 7 20.642 0.190 -5.459 1.00 14.35 N ATOM 90 CA TYR A 7 21.969 0.531 -4.960 1.00 52.44 C ATOM 91 C TYR A 7 23.047 0.119 -5.958 1.00 4.44 C ATOM 92 O TYR A 7 22.963 -0.940 -6.577 1.00 64.01 O ATOM 93 CB TYR A 7 22.220 -0.145 -3.612 1.00 31.41 C ATOM 94 CG TYR A 7 22.515 -1.624 -3.722 1.00 72.33 C ATOM 95 CD1 TYR A 7 21.524 -2.524 -4.097 1.00 2.05 C ATOM 96 CD2 TYR A 7 23.783 -2.122 -3.451 1.00 63.15 C ATOM 97 CE1 TYR A 7 21.789 -3.876 -4.198 1.00 73.11 C ATOM 98 CE2 TYR A 7 24.057 -3.472 -3.552 1.00 22.31 C ATOM 99 CZ TYR A 7 23.057 -4.345 -3.925 1.00 73.32 C ATOM 100 OH TYR A 7 23.325 -5.691 -4.025 1.00 22.20 O ATOM 0 H TYR A 7 20.502 -0.804 -5.641 1.00 14.35 H new ATOM 0 HA TYR A 7 22.014 1.612 -4.829 1.00 52.44 H new ATOM 0 HB2 TYR A 7 23.057 0.348 -3.118 1.00 31.41 H new ATOM 0 HB3 TYR A 7 21.346 -0.004 -2.976 1.00 31.41 H new ATOM 0 HD1 TYR A 7 20.530 -2.160 -4.313 1.00 2.05 H new ATOM 0 HD2 TYR A 7 24.568 -1.442 -3.156 1.00 63.15 H new ATOM 0 HE1 TYR A 7 21.007 -4.562 -4.489 1.00 73.11 H new ATOM 0 HE2 TYR A 7 25.049 -3.842 -3.340 1.00 22.31 H new ATOM 0 HH TYR A 7 22.538 -6.203 -3.743 1.00 22.20 H new ATOM 110 N ASN A 8 24.061 0.966 -6.106 1.00 62.00 N ATOM 111 CA ASN A 8 25.158 0.691 -7.028 1.00 12.25 C ATOM 112 C ASN A 8 26.466 0.482 -6.270 1.00 15.50 C ATOM 113 O ASN A 8 26.797 1.245 -5.362 1.00 42.52 O ATOM 114 CB ASN A 8 25.312 1.840 -8.027 1.00 32.34 C ATOM 115 CG ASN A 8 25.715 3.139 -7.356 1.00 61.14 C ATOM 116 OD1 ASN A 8 24.870 3.979 -7.046 1.00 61.24 O ATOM 117 ND2 ASN A 8 27.012 3.310 -7.130 1.00 24.30 N ATOM 0 H ASN A 8 24.146 1.848 -5.600 1.00 62.00 H new ATOM 0 HA ASN A 8 24.923 -0.225 -7.571 1.00 12.25 H new ATOM 0 HB2 ASN A 8 26.061 1.572 -8.773 1.00 32.34 H new ATOM 0 HB3 ASN A 8 24.371 1.985 -8.558 1.00 32.34 H new ATOM 0 HD21 ASN A 8 27.343 4.165 -6.683 1.00 24.30 H new ATOM 0 HD22 ASN A 8 27.677 2.587 -7.404 1.00 24.30 H new ATOM 124 N ILE A 9 27.204 -0.555 -6.650 1.00 12.11 N ATOM 125 CA ILE A 9 28.476 -0.863 -6.008 1.00 13.41 C ATOM 126 C ILE A 9 29.637 -0.701 -6.983 1.00 11.11 C ATOM 127 O ILE A 9 29.598 -1.213 -8.101 1.00 71.44 O ATOM 128 CB ILE A 9 28.489 -2.296 -5.444 1.00 4.31 C ATOM 129 CG1 ILE A 9 27.796 -3.255 -6.413 1.00 71.22 C ATOM 130 CG2 ILE A 9 27.817 -2.335 -4.080 1.00 1.53 C ATOM 131 CD1 ILE A 9 27.687 -4.670 -5.889 1.00 0.13 C ATOM 0 H ILE A 9 26.943 -1.196 -7.399 1.00 12.11 H new ATOM 0 HA ILE A 9 28.594 -0.157 -5.186 1.00 13.41 H new ATOM 0 HB ILE A 9 29.525 -2.614 -5.326 1.00 4.31 H new ATOM 0 HG12 ILE A 9 26.796 -2.879 -6.631 1.00 71.22 H new ATOM 0 HG13 ILE A 9 28.345 -3.266 -7.355 1.00 71.22 H new ATOM 0 HG21 ILE A 9 27.834 -3.355 -3.695 1.00 1.53 H new ATOM 0 HG22 ILE A 9 28.350 -1.678 -3.393 1.00 1.53 H new ATOM 0 HG23 ILE A 9 26.784 -2.000 -4.174 1.00 1.53 H new ATOM 0 HD11 ILE A 9 27.185 -5.294 -6.628 1.00 0.13 H new ATOM 0 HD12 ILE A 9 28.685 -5.065 -5.698 1.00 0.13 H new ATOM 0 HD13 ILE A 9 27.112 -4.672 -4.963 1.00 0.13 H new ATOM 143 N SER A 10 30.671 0.014 -6.550 1.00 73.10 N ATOM 144 CA SER A 10 31.843 0.245 -7.385 1.00 44.13 C ATOM 145 C SER A 10 33.073 -0.441 -6.798 1.00 33.32 C ATOM 146 O SER A 10 33.452 -0.187 -5.655 1.00 61.11 O ATOM 147 CB SER A 10 32.104 1.746 -7.531 1.00 70.41 C ATOM 148 OG SER A 10 32.874 2.019 -8.689 1.00 12.41 O ATOM 0 H SER A 10 30.720 0.443 -5.626 1.00 73.10 H new ATOM 0 HA SER A 10 31.646 -0.180 -8.369 1.00 44.13 H new ATOM 0 HB2 SER A 10 31.155 2.280 -7.587 1.00 70.41 H new ATOM 0 HB3 SER A 10 32.626 2.115 -6.648 1.00 70.41 H new ATOM 0 HG SER A 10 33.826 2.017 -8.457 1.00 12.41 H new ATOM 154 N MET A 11 33.690 -1.313 -7.588 1.00 44.14 N ATOM 155 CA MET A 11 34.878 -2.036 -7.148 1.00 12.23 C ATOM 156 C MET A 11 36.141 -1.228 -7.427 1.00 41.21 C ATOM 157 O MET A 11 37.250 -1.669 -7.128 1.00 21.30 O ATOM 158 CB MET A 11 34.962 -3.394 -7.846 1.00 64.32 C ATOM 159 CG MET A 11 35.247 -3.295 -9.336 1.00 42.00 C ATOM 160 SD MET A 11 33.835 -3.781 -10.347 1.00 4.30 S ATOM 161 CE MET A 11 34.100 -2.774 -11.804 1.00 41.43 C ATOM 0 H MET A 11 33.387 -1.536 -8.536 1.00 44.14 H new ATOM 0 HA MET A 11 34.800 -2.193 -6.072 1.00 12.23 H new ATOM 0 HB2 MET A 11 35.744 -3.988 -7.374 1.00 64.32 H new ATOM 0 HB3 MET A 11 34.023 -3.928 -7.699 1.00 64.32 H new ATOM 0 HG2 MET A 11 35.529 -2.271 -9.581 1.00 42.00 H new ATOM 0 HG3 MET A 11 36.100 -3.928 -9.582 1.00 42.00 H new ATOM 0 HE1 MET A 11 33.305 -2.962 -12.526 1.00 41.43 H new ATOM 0 HE2 MET A 11 34.094 -1.721 -11.524 1.00 41.43 H new ATOM 0 HE3 MET A 11 35.062 -3.025 -12.250 1.00 41.43 H new ATOM 171 N ALA A 12 35.965 -0.043 -8.002 1.00 41.33 N ATOM 172 CA ALA A 12 37.091 0.827 -8.320 1.00 71.10 C ATOM 173 C ALA A 12 36.618 2.121 -8.974 1.00 33.23 C ATOM 174 O ALA A 12 35.440 2.470 -8.901 1.00 63.00 O ATOM 175 CB ALA A 12 38.076 0.105 -9.227 1.00 61.41 C ATOM 0 H ALA A 12 35.053 0.337 -8.257 1.00 41.33 H new ATOM 0 HA ALA A 12 37.594 1.084 -7.388 1.00 71.10 H new ATOM 0 HB1 ALA A 12 38.912 0.766 -9.456 1.00 61.41 H new ATOM 0 HB2 ALA A 12 38.447 -0.788 -8.723 1.00 61.41 H new ATOM 0 HB3 ALA A 12 37.576 -0.182 -10.152 1.00 61.41 H new ATOM 181 N GLY A 13 37.544 2.829 -9.612 1.00 42.41 N ATOM 182 CA GLY A 13 37.202 4.078 -10.269 1.00 31.45 C ATOM 183 C GLY A 13 36.680 3.868 -11.676 1.00 40.22 C ATOM 184 O GLY A 13 36.675 4.794 -12.488 1.00 23.32 O ATOM 0 H GLY A 13 38.525 2.561 -9.686 1.00 42.41 H new ATOM 0 HA2 GLY A 13 36.449 4.601 -9.679 1.00 31.45 H new ATOM 0 HA3 GLY A 13 38.082 4.720 -10.303 1.00 31.45 H new ATOM 188 N SER A 14 36.241 2.648 -11.967 1.00 74.04 N ATOM 189 CA SER A 14 35.719 2.318 -13.289 1.00 3.43 C ATOM 190 C SER A 14 34.202 2.165 -13.251 1.00 52.34 C ATOM 191 O SER A 14 33.614 1.945 -12.192 1.00 23.22 O ATOM 192 CB SER A 14 36.361 1.029 -13.806 1.00 53.43 C ATOM 193 OG SER A 14 36.114 0.858 -15.191 1.00 63.42 O ATOM 0 H SER A 14 36.236 1.871 -11.306 1.00 74.04 H new ATOM 0 HA SER A 14 35.967 3.136 -13.966 1.00 3.43 H new ATOM 0 HB2 SER A 14 37.436 1.056 -13.625 1.00 53.43 H new ATOM 0 HB3 SER A 14 35.966 0.176 -13.255 1.00 53.43 H new ATOM 0 HG SER A 14 36.536 0.028 -15.499 1.00 63.42 H new ATOM 199 N HIS A 15 33.573 2.284 -14.416 1.00 55.12 N ATOM 200 CA HIS A 15 32.123 2.159 -14.518 1.00 71.43 C ATOM 201 C HIS A 15 31.585 1.201 -13.460 1.00 34.33 C ATOM 202 O HIS A 15 31.759 -0.015 -13.542 1.00 75.31 O ATOM 203 CB HIS A 15 31.729 1.670 -15.913 1.00 21.15 C ATOM 204 CG HIS A 15 30.249 1.575 -16.118 1.00 15.11 C ATOM 205 ND1 HIS A 15 29.365 2.540 -15.683 1.00 10.22 N ATOM 206 CD2 HIS A 15 29.497 0.622 -16.718 1.00 2.42 C ATOM 207 CE1 HIS A 15 28.134 2.184 -16.005 1.00 1.44 C ATOM 208 NE2 HIS A 15 28.187 1.024 -16.634 1.00 52.41 N ATOM 0 H HIS A 15 34.044 2.467 -15.302 1.00 55.12 H new ATOM 0 HA HIS A 15 31.685 3.143 -14.349 1.00 71.43 H new ATOM 0 HB2 HIS A 15 32.148 2.346 -16.658 1.00 21.15 H new ATOM 0 HB3 HIS A 15 32.175 0.690 -16.085 1.00 21.15 H new ATOM 0 HD2 HIS A 15 29.860 -0.286 -17.177 1.00 2.42 H new ATOM 0 HE1 HIS A 15 27.237 2.746 -15.790 1.00 1.44 H new ATOM 0 HE2 HIS A 15 27.385 0.510 -16.998 1.00 52.41 H new ATOM 216 N PRO A 16 30.916 1.760 -12.440 1.00 73.33 N ATOM 217 CA PRO A 16 30.339 0.973 -11.346 1.00 11.20 C ATOM 218 C PRO A 16 29.146 0.137 -11.799 1.00 5.54 C ATOM 219 O PRO A 16 28.728 0.208 -12.955 1.00 13.44 O ATOM 220 CB PRO A 16 29.895 2.038 -10.340 1.00 33.22 C ATOM 221 CG PRO A 16 29.668 3.262 -11.159 1.00 21.45 C ATOM 222 CD PRO A 16 30.671 3.203 -12.278 1.00 35.42 C ATOM 0 HA PRO A 16 31.051 0.254 -10.941 1.00 11.20 H new ATOM 0 HB2 PRO A 16 28.986 1.736 -9.819 1.00 33.22 H new ATOM 0 HB3 PRO A 16 30.657 2.206 -9.579 1.00 33.22 H new ATOM 0 HG2 PRO A 16 28.650 3.288 -11.548 1.00 21.45 H new ATOM 0 HG3 PRO A 16 29.804 4.163 -10.560 1.00 21.45 H new ATOM 0 HD2 PRO A 16 30.280 3.649 -13.192 1.00 35.42 H new ATOM 0 HD3 PRO A 16 31.586 3.740 -12.027 1.00 35.42 H new ATOM 230 N THR A 17 28.602 -0.655 -10.880 1.00 51.32 N ATOM 231 CA THR A 17 27.458 -1.505 -11.185 1.00 51.52 C ATOM 232 C THR A 17 26.233 -1.087 -10.380 1.00 54.33 C ATOM 233 O THR A 17 26.299 -0.938 -9.160 1.00 1.14 O ATOM 234 CB THR A 17 27.766 -2.986 -10.898 1.00 22.13 C ATOM 235 OG1 THR A 17 29.023 -3.347 -11.482 1.00 33.33 O ATOM 236 CG2 THR A 17 26.668 -3.884 -11.448 1.00 45.12 C ATOM 0 H THR A 17 28.935 -0.725 -9.919 1.00 51.32 H new ATOM 0 HA THR A 17 27.249 -1.385 -12.248 1.00 51.52 H new ATOM 0 HB THR A 17 27.816 -3.121 -9.818 1.00 22.13 H new ATOM 0 HG1 THR A 17 29.213 -4.290 -11.294 1.00 33.33 H new ATOM 0 HG21 THR A 17 26.908 -4.925 -11.233 1.00 45.12 H new ATOM 0 HG22 THR A 17 25.718 -3.626 -10.979 1.00 45.12 H new ATOM 0 HG23 THR A 17 26.590 -3.745 -12.526 1.00 45.12 H new ATOM 244 N THR A 18 25.112 -0.899 -11.071 1.00 62.01 N ATOM 245 CA THR A 18 23.871 -0.498 -10.420 1.00 43.15 C ATOM 246 C THR A 18 22.898 -1.667 -10.324 1.00 61.12 C ATOM 247 O THR A 18 22.798 -2.481 -11.243 1.00 52.42 O ATOM 248 CB THR A 18 23.191 0.661 -11.174 1.00 21.22 C ATOM 249 OG1 THR A 18 24.179 1.577 -11.658 1.00 0.53 O ATOM 250 CG2 THR A 18 22.212 1.394 -10.269 1.00 71.41 C ATOM 0 H THR A 18 25.039 -1.018 -12.081 1.00 62.01 H new ATOM 0 HA THR A 18 24.134 -0.165 -9.416 1.00 43.15 H new ATOM 0 HB THR A 18 22.640 0.244 -12.017 1.00 21.22 H new ATOM 0 HG1 THR A 18 23.739 2.310 -12.137 1.00 0.53 H new ATOM 0 HG21 THR A 18 21.744 2.208 -10.823 1.00 71.41 H new ATOM 0 HG22 THR A 18 21.444 0.700 -9.926 1.00 71.41 H new ATOM 0 HG23 THR A 18 22.745 1.800 -9.409 1.00 71.41 H new ATOM 258 N ILE A 19 22.183 -1.745 -9.207 1.00 53.12 N ATOM 259 CA ILE A 19 21.216 -2.814 -8.993 1.00 32.42 C ATOM 260 C ILE A 19 19.928 -2.276 -8.378 1.00 61.32 C ATOM 261 O ILE A 19 19.961 -1.428 -7.486 1.00 24.22 O ATOM 262 CB ILE A 19 21.787 -3.915 -8.079 1.00 11.31 C ATOM 263 CG1 ILE A 19 22.385 -5.045 -8.918 1.00 65.42 C ATOM 264 CG2 ILE A 19 20.704 -4.450 -7.154 1.00 72.24 C ATOM 265 CD1 ILE A 19 22.572 -6.335 -8.150 1.00 10.24 C ATOM 0 H ILE A 19 22.255 -1.081 -8.436 1.00 53.12 H new ATOM 0 HA ILE A 19 20.997 -3.242 -9.971 1.00 32.42 H new ATOM 0 HB ILE A 19 22.579 -3.484 -7.467 1.00 11.31 H new ATOM 0 HG12 ILE A 19 21.737 -5.232 -9.775 1.00 65.42 H new ATOM 0 HG13 ILE A 19 23.349 -4.723 -9.312 1.00 65.42 H new ATOM 0 HG21 ILE A 19 21.123 -5.227 -6.515 1.00 72.24 H new ATOM 0 HG22 ILE A 19 20.320 -3.639 -6.535 1.00 72.24 H new ATOM 0 HG23 ILE A 19 19.892 -4.868 -7.748 1.00 72.24 H new ATOM 0 HD11 ILE A 19 23.000 -7.091 -8.808 1.00 10.24 H new ATOM 0 HD12 ILE A 19 23.244 -6.164 -7.309 1.00 10.24 H new ATOM 0 HD13 ILE A 19 21.607 -6.681 -7.779 1.00 10.24 H new ATOM 277 N CYS A 20 18.796 -2.776 -8.860 1.00 54.21 N ATOM 278 CA CYS A 20 17.495 -2.346 -8.357 1.00 65.14 C ATOM 279 C CYS A 20 16.711 -3.529 -7.799 1.00 55.41 C ATOM 280 O CYS A 20 16.370 -4.461 -8.527 1.00 64.14 O ATOM 281 CB CYS A 20 16.695 -1.666 -9.469 1.00 71.21 C ATOM 282 SG CYS A 20 16.645 -2.597 -11.018 1.00 65.13 S ATOM 0 H CYS A 20 18.752 -3.479 -9.598 1.00 54.21 H new ATOM 0 HA CYS A 20 17.662 -1.631 -7.551 1.00 65.14 H new ATOM 0 HB2 CYS A 20 15.675 -1.505 -9.121 1.00 71.21 H new ATOM 0 HB3 CYS A 20 17.125 -0.683 -9.662 1.00 71.21 H new ATOM 0 HG CYS A 20 16.527 -3.865 -10.758 1.00 65.13 H new ATOM 288 N VAL A 21 16.427 -3.484 -6.501 1.00 61.41 N ATOM 289 CA VAL A 21 15.683 -4.552 -5.844 1.00 72.23 C ATOM 290 C VAL A 21 14.733 -3.993 -4.791 1.00 40.31 C ATOM 291 O VAL A 21 15.016 -2.972 -4.163 1.00 64.42 O ATOM 292 CB VAL A 21 16.629 -5.568 -5.178 1.00 63.51 C ATOM 293 CG1 VAL A 21 17.434 -6.318 -6.229 1.00 75.03 C ATOM 294 CG2 VAL A 21 17.550 -4.870 -4.189 1.00 13.32 C ATOM 0 H VAL A 21 16.701 -2.719 -5.884 1.00 61.41 H new ATOM 0 HA VAL A 21 15.106 -5.058 -6.618 1.00 72.23 H new ATOM 0 HB VAL A 21 16.027 -6.293 -4.630 1.00 63.51 H new ATOM 0 HG11 VAL A 21 18.097 -7.031 -5.739 1.00 75.03 H new ATOM 0 HG12 VAL A 21 16.756 -6.851 -6.895 1.00 75.03 H new ATOM 0 HG13 VAL A 21 18.027 -5.609 -6.807 1.00 75.03 H new ATOM 0 HG21 VAL A 21 18.212 -5.603 -3.728 1.00 13.32 H new ATOM 0 HG22 VAL A 21 18.146 -4.122 -4.712 1.00 13.32 H new ATOM 0 HG23 VAL A 21 16.953 -4.384 -3.417 1.00 13.32 H new ATOM 304 N VAL A 22 13.604 -4.668 -4.602 1.00 53.00 N ATOM 305 CA VAL A 22 12.612 -4.240 -3.623 1.00 54.43 C ATOM 306 C VAL A 22 13.149 -4.370 -2.203 1.00 2.14 C ATOM 307 O VAL A 22 14.046 -5.170 -1.939 1.00 31.34 O ATOM 308 CB VAL A 22 11.313 -5.058 -3.746 1.00 15.11 C ATOM 309 CG1 VAL A 22 11.539 -6.491 -3.288 1.00 54.24 C ATOM 310 CG2 VAL A 22 10.195 -4.405 -2.947 1.00 55.24 C ATOM 0 H VAL A 22 13.353 -5.514 -5.114 1.00 53.00 H new ATOM 0 HA VAL A 22 12.394 -3.192 -3.831 1.00 54.43 H new ATOM 0 HB VAL A 22 11.015 -5.079 -4.794 1.00 15.11 H new ATOM 0 HG11 VAL A 22 10.610 -7.054 -3.382 1.00 54.24 H new ATOM 0 HG12 VAL A 22 12.308 -6.954 -3.907 1.00 54.24 H new ATOM 0 HG13 VAL A 22 11.861 -6.494 -2.247 1.00 54.24 H new ATOM 0 HG21 VAL A 22 9.284 -4.996 -3.045 1.00 55.24 H new ATOM 0 HG22 VAL A 22 10.482 -4.352 -1.897 1.00 55.24 H new ATOM 0 HG23 VAL A 22 10.017 -3.399 -3.326 1.00 55.24 H new ATOM 320 N MET A 23 12.594 -3.578 -1.291 1.00 5.20 N ATOM 321 CA MET A 23 13.017 -3.606 0.104 1.00 24.14 C ATOM 322 C MET A 23 12.959 -5.025 0.662 1.00 53.14 C ATOM 323 O MET A 23 13.801 -5.420 1.468 1.00 34.32 O ATOM 324 CB MET A 23 12.138 -2.679 0.945 1.00 12.31 C ATOM 325 CG MET A 23 10.741 -3.225 1.193 1.00 61.25 C ATOM 326 SD MET A 23 9.753 -2.152 2.252 1.00 51.21 S ATOM 327 CE MET A 23 9.432 -3.243 3.635 1.00 25.53 C ATOM 0 H MET A 23 11.851 -2.909 -1.493 1.00 5.20 H new ATOM 0 HA MET A 23 14.049 -3.258 0.151 1.00 24.14 H new ATOM 0 HB2 MET A 23 12.625 -2.501 1.904 1.00 12.31 H new ATOM 0 HB3 MET A 23 12.058 -1.714 0.444 1.00 12.31 H new ATOM 0 HG2 MET A 23 10.231 -3.355 0.238 1.00 61.25 H new ATOM 0 HG3 MET A 23 10.817 -4.211 1.651 1.00 61.25 H new ATOM 0 HE1 MET A 23 8.829 -2.721 4.378 1.00 25.53 H new ATOM 0 HE2 MET A 23 8.895 -4.125 3.286 1.00 25.53 H new ATOM 0 HE3 MET A 23 10.377 -3.548 4.085 1.00 25.53 H new ATOM 337 N ASP A 24 11.960 -5.785 0.227 1.00 62.51 N ATOM 338 CA ASP A 24 11.792 -7.161 0.682 1.00 44.20 C ATOM 339 C ASP A 24 13.020 -8.000 0.340 1.00 11.34 C ATOM 340 O ASP A 24 13.435 -8.857 1.121 1.00 74.14 O ATOM 341 CB ASP A 24 10.544 -7.780 0.052 1.00 63.54 C ATOM 342 CG ASP A 24 9.359 -6.835 0.063 1.00 5.31 C ATOM 343 OD1 ASP A 24 9.021 -6.320 1.150 1.00 44.23 O ATOM 344 OD2 ASP A 24 8.771 -6.609 -1.015 1.00 12.34 O ATOM 0 H ASP A 24 11.254 -5.472 -0.440 1.00 62.51 H new ATOM 0 HA ASP A 24 11.674 -7.148 1.765 1.00 44.20 H new ATOM 0 HB2 ASP A 24 10.765 -8.069 -0.976 1.00 63.54 H new ATOM 0 HB3 ASP A 24 10.283 -8.691 0.590 1.00 63.54 H new ATOM 349 N ARG A 25 13.596 -7.747 -0.830 1.00 72.14 N ATOM 350 CA ARG A 25 14.774 -8.481 -1.276 1.00 43.42 C ATOM 351 C ARG A 25 16.043 -7.666 -1.040 1.00 30.50 C ATOM 352 O ARG A 25 17.154 -8.192 -1.117 1.00 52.11 O ATOM 353 CB ARG A 25 14.651 -8.834 -2.760 1.00 13.54 C ATOM 354 CG ARG A 25 13.836 -10.090 -3.021 1.00 14.50 C ATOM 355 CD ARG A 25 12.366 -9.765 -3.239 1.00 1.23 C ATOM 356 NE ARG A 25 11.564 -10.968 -3.440 1.00 74.24 N ATOM 357 CZ ARG A 25 11.210 -11.789 -2.458 1.00 14.24 C ATOM 358 NH1 ARG A 25 11.585 -11.536 -1.211 1.00 71.43 N ATOM 359 NH2 ARG A 25 10.478 -12.864 -2.721 1.00 22.24 N ATOM 0 H ARG A 25 13.266 -7.039 -1.486 1.00 72.14 H new ATOM 0 HA ARG A 25 14.839 -9.401 -0.695 1.00 43.42 H new ATOM 0 HB2 ARG A 25 14.192 -7.997 -3.287 1.00 13.54 H new ATOM 0 HB3 ARG A 25 15.649 -8.965 -3.178 1.00 13.54 H new ATOM 0 HG2 ARG A 25 14.230 -10.605 -3.897 1.00 14.50 H new ATOM 0 HG3 ARG A 25 13.938 -10.773 -2.178 1.00 14.50 H new ATOM 0 HD2 ARG A 25 11.985 -9.215 -2.379 1.00 1.23 H new ATOM 0 HD3 ARG A 25 12.264 -9.112 -4.106 1.00 1.23 H new ATOM 0 HE ARG A 25 11.258 -11.190 -4.387 1.00 74.24 H new ATOM 0 HH11 ARG A 25 12.146 -10.710 -1.005 1.00 71.43 H new ATOM 0 HH12 ARG A 25 11.312 -12.168 -0.458 1.00 71.43 H new ATOM 0 HH21 ARG A 25 10.186 -13.061 -3.678 1.00 22.24 H new ATOM 0 HH22 ARG A 25 10.207 -13.494 -1.966 1.00 22.24 H new ATOM 373 N PHE A 26 15.870 -6.381 -0.753 1.00 13.45 N ATOM 374 CA PHE A 26 17.000 -5.493 -0.507 1.00 24.14 C ATOM 375 C PHE A 26 17.770 -5.925 0.738 1.00 21.01 C ATOM 376 O PHE A 26 19.001 -5.966 0.738 1.00 62.33 O ATOM 377 CB PHE A 26 16.518 -4.050 -0.346 1.00 72.04 C ATOM 378 CG PHE A 26 17.633 -3.064 -0.141 1.00 75.52 C ATOM 379 CD1 PHE A 26 18.734 -3.060 -0.982 1.00 3.25 C ATOM 380 CD2 PHE A 26 17.578 -2.142 0.891 1.00 25.45 C ATOM 381 CE1 PHE A 26 19.762 -2.155 -0.794 1.00 54.43 C ATOM 382 CE2 PHE A 26 18.603 -1.234 1.083 1.00 33.33 C ATOM 383 CZ PHE A 26 19.695 -1.240 0.239 1.00 43.14 C ATOM 0 H PHE A 26 14.957 -5.931 -0.685 1.00 13.45 H new ATOM 0 HA PHE A 26 17.669 -5.551 -1.366 1.00 24.14 H new ATOM 0 HB2 PHE A 26 15.950 -3.764 -1.231 1.00 72.04 H new ATOM 0 HB3 PHE A 26 15.836 -3.996 0.502 1.00 72.04 H new ATOM 0 HD1 PHE A 26 18.790 -3.771 -1.793 1.00 3.25 H new ATOM 0 HD2 PHE A 26 16.725 -2.132 1.553 1.00 25.45 H new ATOM 0 HE1 PHE A 26 20.617 -2.163 -1.454 1.00 54.43 H new ATOM 0 HE2 PHE A 26 18.549 -0.521 1.892 1.00 33.33 H new ATOM 0 HZ PHE A 26 20.496 -0.531 0.386 1.00 43.14 H new ATOM 393 N LEU A 27 17.037 -6.245 1.798 1.00 34.52 N ATOM 394 CA LEU A 27 17.649 -6.674 3.051 1.00 31.10 C ATOM 395 C LEU A 27 18.516 -7.911 2.838 1.00 34.13 C ATOM 396 O LEU A 27 19.666 -7.956 3.272 1.00 44.34 O ATOM 397 CB LEU A 27 16.570 -6.967 4.095 1.00 52.10 C ATOM 398 CG LEU A 27 17.034 -6.988 5.552 1.00 55.11 C ATOM 399 CD1 LEU A 27 15.870 -6.696 6.487 1.00 40.34 C ATOM 400 CD2 LEU A 27 17.668 -8.329 5.890 1.00 2.13 C ATOM 0 H LEU A 27 16.018 -6.216 1.815 1.00 34.52 H new ATOM 0 HA LEU A 27 18.284 -5.865 3.412 1.00 31.10 H new ATOM 0 HB2 LEU A 27 15.784 -6.219 3.996 1.00 52.10 H new ATOM 0 HB3 LEU A 27 16.121 -7.933 3.863 1.00 52.10 H new ATOM 0 HG LEU A 27 17.785 -6.209 5.686 1.00 55.11 H new ATOM 0 HD11 LEU A 27 16.219 -6.715 7.519 1.00 40.34 H new ATOM 0 HD12 LEU A 27 15.460 -5.712 6.261 1.00 40.34 H new ATOM 0 HD13 LEU A 27 15.096 -7.452 6.352 1.00 40.34 H new ATOM 0 HD21 LEU A 27 17.992 -8.326 6.931 1.00 2.13 H new ATOM 0 HD22 LEU A 27 16.938 -9.125 5.740 1.00 2.13 H new ATOM 0 HD23 LEU A 27 18.528 -8.498 5.242 1.00 2.13 H new ATOM 412 N GLU A 28 17.955 -8.912 2.167 1.00 71.04 N ATOM 413 CA GLU A 28 18.678 -10.149 1.895 1.00 1.15 C ATOM 414 C GLU A 28 19.807 -9.911 0.896 1.00 33.42 C ATOM 415 O GLU A 28 20.930 -10.375 1.091 1.00 61.54 O ATOM 416 CB GLU A 28 17.723 -11.217 1.358 1.00 0.15 C ATOM 417 CG GLU A 28 18.198 -12.639 1.606 1.00 4.43 C ATOM 418 CD GLU A 28 17.079 -13.655 1.498 1.00 34.43 C ATOM 419 OE1 GLU A 28 16.423 -13.926 2.526 1.00 32.21 O ATOM 420 OE2 GLU A 28 16.858 -14.180 0.387 1.00 62.21 O ATOM 0 H GLU A 28 17.003 -8.891 1.802 1.00 71.04 H new ATOM 0 HA GLU A 28 19.113 -10.499 2.831 1.00 1.15 H new ATOM 0 HB2 GLU A 28 16.745 -11.084 1.821 1.00 0.15 H new ATOM 0 HB3 GLU A 28 17.591 -11.069 0.286 1.00 0.15 H new ATOM 0 HG2 GLU A 28 18.980 -12.887 0.888 1.00 4.43 H new ATOM 0 HG3 GLU A 28 18.645 -12.701 2.598 1.00 4.43 H new ATOM 427 N SER A 29 19.499 -9.186 -0.174 1.00 14.31 N ATOM 428 CA SER A 29 20.485 -8.890 -1.207 1.00 12.35 C ATOM 429 C SER A 29 21.703 -8.192 -0.610 1.00 25.31 C ATOM 430 O SER A 29 22.841 -8.470 -0.991 1.00 32.42 O ATOM 431 CB SER A 29 19.865 -8.014 -2.297 1.00 61.13 C ATOM 432 OG SER A 29 20.860 -7.503 -3.167 1.00 40.33 O ATOM 0 H SER A 29 18.574 -8.792 -0.349 1.00 14.31 H new ATOM 0 HA SER A 29 20.808 -9.833 -1.648 1.00 12.35 H new ATOM 0 HB2 SER A 29 19.142 -8.596 -2.868 1.00 61.13 H new ATOM 0 HB3 SER A 29 19.319 -7.189 -1.839 1.00 61.13 H new ATOM 0 HG SER A 29 20.439 -6.948 -3.856 1.00 40.33 H new ATOM 438 N PHE A 30 21.457 -7.284 0.329 1.00 61.15 N ATOM 439 CA PHE A 30 22.533 -6.545 0.978 1.00 2.04 C ATOM 440 C PHE A 30 23.379 -7.469 1.849 1.00 22.22 C ATOM 441 O PHE A 30 24.609 -7.423 1.810 1.00 13.03 O ATOM 442 CB PHE A 30 21.960 -5.409 1.828 1.00 74.01 C ATOM 443 CG PHE A 30 22.504 -5.373 3.227 1.00 31.44 C ATOM 444 CD1 PHE A 30 23.803 -4.958 3.469 1.00 24.11 C ATOM 445 CD2 PHE A 30 21.716 -5.756 4.301 1.00 0.22 C ATOM 446 CE1 PHE A 30 24.307 -4.924 4.756 1.00 43.22 C ATOM 447 CE2 PHE A 30 22.214 -5.723 5.590 1.00 63.21 C ATOM 448 CZ PHE A 30 23.512 -5.308 5.817 1.00 12.14 C ATOM 0 H PHE A 30 20.522 -7.043 0.657 1.00 61.15 H new ATOM 0 HA PHE A 30 23.170 -6.123 0.201 1.00 2.04 H new ATOM 0 HB2 PHE A 30 22.173 -4.458 1.340 1.00 74.01 H new ATOM 0 HB3 PHE A 30 20.876 -5.510 1.871 1.00 74.01 H new ATOM 0 HD1 PHE A 30 24.430 -4.657 2.642 1.00 24.11 H new ATOM 0 HD2 PHE A 30 20.701 -6.084 4.129 1.00 0.22 H new ATOM 0 HE1 PHE A 30 25.321 -4.597 4.931 1.00 43.22 H new ATOM 0 HE2 PHE A 30 21.589 -6.021 6.419 1.00 63.21 H new ATOM 0 HZ PHE A 30 23.904 -5.284 6.823 1.00 12.14 H new ATOM 458 N SER A 31 22.711 -8.308 2.635 1.00 41.22 N ATOM 459 CA SER A 31 23.400 -9.240 3.519 1.00 63.30 C ATOM 460 C SER A 31 24.371 -10.117 2.734 1.00 71.24 C ATOM 461 O SER A 31 25.522 -10.294 3.129 1.00 25.22 O ATOM 462 CB SER A 31 22.388 -10.117 4.259 1.00 3.35 C ATOM 463 OG SER A 31 23.041 -11.122 5.015 1.00 10.15 O ATOM 0 H SER A 31 21.693 -8.361 2.677 1.00 41.22 H new ATOM 0 HA SER A 31 23.968 -8.660 4.246 1.00 63.30 H new ATOM 0 HB2 SER A 31 21.780 -9.498 4.919 1.00 3.35 H new ATOM 0 HB3 SER A 31 21.710 -10.580 3.542 1.00 3.35 H new ATOM 0 HG SER A 31 22.373 -11.668 5.480 1.00 10.15 H new ATOM 469 N GLU A 32 23.896 -10.663 1.619 1.00 74.34 N ATOM 470 CA GLU A 32 24.721 -11.523 0.778 1.00 51.41 C ATOM 471 C GLU A 32 25.743 -10.701 -0.003 1.00 12.24 C ATOM 472 O GLU A 32 26.903 -11.093 -0.133 1.00 21.32 O ATOM 473 CB GLU A 32 23.844 -12.320 -0.191 1.00 5.25 C ATOM 474 CG GLU A 32 24.532 -13.547 -0.764 1.00 62.23 C ATOM 475 CD GLU A 32 24.719 -14.645 0.264 1.00 22.54 C ATOM 476 OE1 GLU A 32 24.187 -14.504 1.386 1.00 64.04 O ATOM 477 OE2 GLU A 32 25.397 -15.646 -0.051 1.00 51.41 O ATOM 0 H GLU A 32 22.945 -10.525 1.277 1.00 74.34 H new ATOM 0 HA GLU A 32 25.256 -12.216 1.426 1.00 51.41 H new ATOM 0 HB2 GLU A 32 22.936 -12.631 0.326 1.00 5.25 H new ATOM 0 HB3 GLU A 32 23.538 -11.669 -1.010 1.00 5.25 H new ATOM 0 HG2 GLU A 32 23.945 -13.932 -1.598 1.00 62.23 H new ATOM 0 HG3 GLU A 32 25.504 -13.260 -1.164 1.00 62.23 H new ATOM 484 N LEU A 33 25.304 -9.559 -0.520 1.00 74.13 N ATOM 485 CA LEU A 33 26.179 -8.681 -1.289 1.00 12.21 C ATOM 486 C LEU A 33 27.412 -8.296 -0.478 1.00 64.33 C ATOM 487 O LEU A 33 28.513 -8.182 -1.019 1.00 74.44 O ATOM 488 CB LEU A 33 25.423 -7.422 -1.717 1.00 13.35 C ATOM 489 CG LEU A 33 26.220 -6.405 -2.533 1.00 44.43 C ATOM 490 CD1 LEU A 33 27.072 -5.537 -1.620 1.00 40.41 C ATOM 491 CD2 LEU A 33 27.090 -7.111 -3.563 1.00 75.52 C ATOM 0 H LEU A 33 24.347 -9.219 -0.421 1.00 74.13 H new ATOM 0 HA LEU A 33 26.505 -9.221 -2.178 1.00 12.21 H new ATOM 0 HB2 LEU A 33 24.554 -7.725 -2.301 1.00 13.35 H new ATOM 0 HB3 LEU A 33 25.048 -6.926 -0.822 1.00 13.35 H new ATOM 0 HG LEU A 33 25.516 -5.761 -3.060 1.00 44.43 H new ATOM 0 HD11 LEU A 33 27.632 -4.819 -2.219 1.00 40.41 H new ATOM 0 HD12 LEU A 33 26.428 -5.003 -0.921 1.00 40.41 H new ATOM 0 HD13 LEU A 33 27.767 -6.166 -1.064 1.00 40.41 H new ATOM 0 HD21 LEU A 33 27.650 -6.371 -4.135 1.00 75.52 H new ATOM 0 HD22 LEU A 33 27.785 -7.780 -3.055 1.00 75.52 H new ATOM 0 HD23 LEU A 33 26.459 -7.689 -4.238 1.00 75.52 H new ATOM 503 N TYR A 34 27.222 -8.100 0.821 1.00 11.44 N ATOM 504 CA TYR A 34 28.319 -7.728 1.707 1.00 10.20 C ATOM 505 C TYR A 34 29.309 -8.878 1.860 1.00 22.33 C ATOM 506 O TYR A 34 30.507 -8.661 2.043 1.00 1.12 O ATOM 507 CB TYR A 34 27.779 -7.319 3.078 1.00 11.24 C ATOM 508 CG TYR A 34 28.851 -7.182 4.135 1.00 24.24 C ATOM 509 CD1 TYR A 34 29.523 -5.980 4.320 1.00 23.34 C ATOM 510 CD2 TYR A 34 29.192 -8.255 4.950 1.00 61.21 C ATOM 511 CE1 TYR A 34 30.504 -5.851 5.284 1.00 23.53 C ATOM 512 CE2 TYR A 34 30.171 -8.135 5.917 1.00 32.05 C ATOM 513 CZ TYR A 34 30.824 -6.931 6.080 1.00 24.45 C ATOM 514 OH TYR A 34 31.800 -6.807 7.043 1.00 40.42 O ATOM 0 H TYR A 34 26.318 -8.192 1.285 1.00 11.44 H new ATOM 0 HA TYR A 34 28.840 -6.880 1.262 1.00 10.20 H new ATOM 0 HB2 TYR A 34 27.251 -6.370 2.983 1.00 11.24 H new ATOM 0 HB3 TYR A 34 27.049 -8.058 3.407 1.00 11.24 H new ATOM 0 HD1 TYR A 34 29.274 -5.132 3.699 1.00 23.34 H new ATOM 0 HD2 TYR A 34 28.683 -9.199 4.825 1.00 61.21 H new ATOM 0 HE1 TYR A 34 31.018 -4.910 5.414 1.00 23.53 H new ATOM 0 HE2 TYR A 34 30.424 -8.979 6.542 1.00 32.05 H new ATOM 0 HH TYR A 34 31.902 -7.659 7.517 1.00 40.42 H new ATOM 524 N ASP A 35 28.800 -10.103 1.784 1.00 54.43 N ATOM 525 CA ASP A 35 29.638 -11.289 1.912 1.00 72.11 C ATOM 526 C ASP A 35 30.450 -11.520 0.642 1.00 63.33 C ATOM 527 O ASP A 35 31.536 -12.100 0.685 1.00 52.04 O ATOM 528 CB ASP A 35 28.777 -12.517 2.213 1.00 65.44 C ATOM 529 CG ASP A 35 29.133 -13.163 3.537 1.00 23.41 C ATOM 530 OD1 ASP A 35 29.474 -12.425 4.485 1.00 13.03 O ATOM 531 OD2 ASP A 35 29.071 -14.407 3.626 1.00 73.21 O ATOM 0 H ASP A 35 27.811 -10.300 1.634 1.00 54.43 H new ATOM 0 HA ASP A 35 30.330 -11.128 2.739 1.00 72.11 H new ATOM 0 HB2 ASP A 35 27.726 -12.227 2.225 1.00 65.44 H new ATOM 0 HB3 ASP A 35 28.897 -13.247 1.412 1.00 65.44 H new ATOM 536 N ILE A 36 29.917 -11.064 -0.487 1.00 20.43 N ATOM 537 CA ILE A 36 30.593 -11.222 -1.769 1.00 12.24 C ATOM 538 C ILE A 36 31.376 -9.966 -2.135 1.00 3.12 C ATOM 539 O ILE A 36 32.286 -10.009 -2.964 1.00 33.31 O ATOM 540 CB ILE A 36 29.593 -11.537 -2.897 1.00 63.10 C ATOM 541 CG1 ILE A 36 30.315 -11.598 -4.245 1.00 31.11 C ATOM 542 CG2 ILE A 36 28.485 -10.495 -2.930 1.00 5.22 C ATOM 543 CD1 ILE A 36 30.194 -10.325 -5.053 1.00 62.10 C ATOM 0 H ILE A 36 29.019 -10.582 -0.540 1.00 20.43 H new ATOM 0 HA ILE A 36 31.283 -12.059 -1.662 1.00 12.24 H new ATOM 0 HB ILE A 36 29.143 -12.510 -2.702 1.00 63.10 H new ATOM 0 HG12 ILE A 36 31.370 -11.811 -4.074 1.00 31.11 H new ATOM 0 HG13 ILE A 36 29.913 -12.428 -4.826 1.00 31.11 H new ATOM 0 HG21 ILE A 36 27.787 -10.732 -3.733 1.00 5.22 H new ATOM 0 HG22 ILE A 36 27.956 -10.496 -1.977 1.00 5.22 H new ATOM 0 HG23 ILE A 36 28.917 -9.510 -3.104 1.00 5.22 H new ATOM 0 HD11 ILE A 36 30.729 -10.440 -5.995 1.00 62.10 H new ATOM 0 HD12 ILE A 36 29.143 -10.121 -5.255 1.00 62.10 H new ATOM 0 HD13 ILE A 36 30.623 -9.495 -4.491 1.00 62.10 H new ATOM 555 N ILE A 37 31.018 -8.849 -1.510 1.00 44.14 N ATOM 556 CA ILE A 37 31.690 -7.581 -1.769 1.00 30.34 C ATOM 557 C ILE A 37 33.188 -7.690 -1.507 1.00 44.21 C ATOM 558 O ILE A 37 33.976 -6.885 -2.006 1.00 32.25 O ATOM 559 CB ILE A 37 31.109 -6.450 -0.900 1.00 44.54 C ATOM 560 CG1 ILE A 37 31.514 -5.086 -1.464 1.00 2.10 C ATOM 561 CG2 ILE A 37 31.578 -6.594 0.540 1.00 14.40 C ATOM 562 CD1 ILE A 37 30.805 -4.730 -2.752 1.00 10.43 C ATOM 0 H ILE A 37 30.267 -8.796 -0.821 1.00 44.14 H new ATOM 0 HA ILE A 37 31.524 -7.343 -2.820 1.00 30.34 H new ATOM 0 HB ILE A 37 30.021 -6.521 -0.916 1.00 44.54 H new ATOM 0 HG12 ILE A 37 31.305 -4.318 -0.720 1.00 2.10 H new ATOM 0 HG13 ILE A 37 32.590 -5.078 -1.637 1.00 2.10 H new ATOM 0 HG21 ILE A 37 31.159 -5.787 1.142 1.00 14.40 H new ATOM 0 HG22 ILE A 37 31.245 -7.553 0.937 1.00 14.40 H new ATOM 0 HG23 ILE A 37 32.666 -6.545 0.575 1.00 14.40 H new ATOM 0 HD11 ILE A 37 31.141 -3.751 -3.094 1.00 10.43 H new ATOM 0 HD12 ILE A 37 31.034 -5.477 -3.512 1.00 10.43 H new ATOM 0 HD13 ILE A 37 29.729 -4.705 -2.580 1.00 10.43 H new ATOM 574 N ASP A 38 33.576 -8.690 -0.724 1.00 34.50 N ATOM 575 CA ASP A 38 34.981 -8.907 -0.398 1.00 55.12 C ATOM 576 C ASP A 38 35.766 -9.330 -1.635 1.00 63.14 C ATOM 577 O ASP A 38 36.987 -9.183 -1.687 1.00 32.12 O ATOM 578 CB ASP A 38 35.115 -9.968 0.695 1.00 60.54 C ATOM 579 CG ASP A 38 35.059 -11.379 0.142 1.00 53.04 C ATOM 580 OD1 ASP A 38 34.007 -11.756 -0.416 1.00 10.40 O ATOM 581 OD2 ASP A 38 36.066 -12.107 0.267 1.00 2.51 O ATOM 0 H ASP A 38 32.937 -9.364 -0.303 1.00 34.50 H new ATOM 0 HA ASP A 38 35.394 -7.967 -0.032 1.00 55.12 H new ATOM 0 HB2 ASP A 38 36.058 -9.825 1.223 1.00 60.54 H new ATOM 0 HB3 ASP A 38 34.317 -9.835 1.426 1.00 60.54 H new ATOM 586 N GLU A 39 35.057 -9.857 -2.629 1.00 4.01 N ATOM 587 CA GLU A 39 35.690 -10.303 -3.865 1.00 32.23 C ATOM 588 C GLU A 39 36.114 -9.112 -4.720 1.00 21.55 C ATOM 589 O GLU A 39 35.778 -7.968 -4.419 1.00 35.00 O ATOM 590 CB GLU A 39 34.736 -11.200 -4.657 1.00 41.30 C ATOM 591 CG GLU A 39 34.534 -12.572 -4.037 1.00 23.12 C ATOM 592 CD GLU A 39 35.837 -13.324 -3.848 1.00 23.14 C ATOM 593 OE1 GLU A 39 36.486 -13.650 -4.864 1.00 4.12 O ATOM 594 OE2 GLU A 39 36.208 -13.587 -2.685 1.00 31.14 O ATOM 0 H GLU A 39 34.045 -9.985 -2.602 1.00 4.01 H new ATOM 0 HA GLU A 39 36.580 -10.874 -3.602 1.00 32.23 H new ATOM 0 HB2 GLU A 39 33.770 -10.703 -4.741 1.00 41.30 H new ATOM 0 HB3 GLU A 39 35.121 -11.321 -5.669 1.00 41.30 H new ATOM 0 HG2 GLU A 39 34.039 -12.461 -3.072 1.00 23.12 H new ATOM 0 HG3 GLU A 39 33.869 -13.159 -4.671 1.00 23.12 H new ATOM 601 N ASN A 40 36.856 -9.392 -5.786 1.00 40.23 N ATOM 602 CA ASN A 40 37.328 -8.344 -6.685 1.00 31.43 C ATOM 603 C ASN A 40 37.269 -8.807 -8.138 1.00 2.55 C ATOM 604 O ASN A 40 37.829 -8.165 -9.027 1.00 22.32 O ATOM 605 CB ASN A 40 38.759 -7.940 -6.324 1.00 32.52 C ATOM 606 CG ASN A 40 39.184 -6.651 -7.000 1.00 72.42 C ATOM 607 OD1 ASN A 40 38.368 -5.757 -7.224 1.00 43.21 O ATOM 608 ND2 ASN A 40 40.466 -6.551 -7.329 1.00 64.23 N ATOM 0 H ASN A 40 37.144 -10.335 -6.049 1.00 40.23 H new ATOM 0 HA ASN A 40 36.674 -7.480 -6.571 1.00 31.43 H new ATOM 0 HB2 ASN A 40 38.839 -7.824 -5.243 1.00 32.52 H new ATOM 0 HB3 ASN A 40 39.442 -8.740 -6.610 1.00 32.52 H new ATOM 0 HD21 ASN A 40 40.811 -5.707 -7.787 1.00 64.23 H new ATOM 0 HD22 ASN A 40 41.107 -7.318 -7.124 1.00 64.23 H new ATOM 615 N ASP A 41 36.587 -9.922 -8.370 1.00 61.43 N ATOM 616 CA ASP A 41 36.453 -10.470 -9.715 1.00 62.22 C ATOM 617 C ASP A 41 35.182 -9.959 -10.386 1.00 32.52 C ATOM 618 O ASP A 41 34.120 -9.898 -9.765 1.00 21.44 O ATOM 619 CB ASP A 41 36.441 -11.999 -9.667 1.00 53.14 C ATOM 620 CG ASP A 41 37.734 -12.605 -10.177 1.00 13.33 C ATOM 621 OD1 ASP A 41 38.269 -12.100 -11.186 1.00 52.21 O ATOM 622 OD2 ASP A 41 38.211 -13.583 -9.565 1.00 62.13 O ATOM 0 H ASP A 41 36.118 -10.465 -7.645 1.00 61.43 H new ATOM 0 HA ASP A 41 37.310 -10.140 -10.302 1.00 62.22 H new ATOM 0 HB2 ASP A 41 36.270 -12.326 -8.641 1.00 53.14 H new ATOM 0 HB3 ASP A 41 35.608 -12.372 -10.264 1.00 53.14 H new ATOM 627 N THR A 42 35.296 -9.592 -11.658 1.00 45.04 N ATOM 628 CA THR A 42 34.158 -9.084 -12.413 1.00 33.31 C ATOM 629 C THR A 42 33.167 -10.199 -12.730 1.00 44.14 C ATOM 630 O THR A 42 31.964 -9.962 -12.833 1.00 73.14 O ATOM 631 CB THR A 42 34.606 -8.421 -13.729 1.00 63.40 C ATOM 632 OG1 THR A 42 35.212 -9.395 -14.586 1.00 71.35 O ATOM 633 CG2 THR A 42 35.591 -7.294 -13.459 1.00 0.12 C ATOM 0 H THR A 42 36.166 -9.637 -12.188 1.00 45.04 H new ATOM 0 HA THR A 42 33.672 -8.336 -11.786 1.00 33.31 H new ATOM 0 HB THR A 42 33.726 -8.004 -14.218 1.00 63.40 H new ATOM 0 HG1 THR A 42 35.493 -8.966 -15.421 1.00 71.35 H new ATOM 0 HG21 THR A 42 35.893 -6.841 -14.403 1.00 0.12 H new ATOM 0 HG22 THR A 42 35.118 -6.540 -12.830 1.00 0.12 H new ATOM 0 HG23 THR A 42 36.469 -7.692 -12.950 1.00 0.12 H new ATOM 641 N ASP A 43 33.681 -11.414 -12.884 1.00 22.33 N ATOM 642 CA ASP A 43 32.841 -12.567 -13.188 1.00 1.22 C ATOM 643 C ASP A 43 31.913 -12.886 -12.020 1.00 24.34 C ATOM 644 O ASP A 43 30.713 -13.090 -12.204 1.00 24.30 O ATOM 645 CB ASP A 43 33.707 -13.784 -13.515 1.00 63.20 C ATOM 646 CG ASP A 43 32.933 -14.868 -14.239 1.00 32.14 C ATOM 647 OD1 ASP A 43 31.763 -15.108 -13.871 1.00 64.32 O ATOM 648 OD2 ASP A 43 33.496 -15.476 -15.173 1.00 13.30 O ATOM 0 H ASP A 43 34.675 -11.626 -12.803 1.00 22.33 H new ATOM 0 HA ASP A 43 32.231 -12.322 -14.057 1.00 1.22 H new ATOM 0 HB2 ASP A 43 34.550 -13.471 -14.131 1.00 63.20 H new ATOM 0 HB3 ASP A 43 34.120 -14.191 -12.592 1.00 63.20 H new ATOM 653 N VAL A 44 32.478 -12.929 -10.817 1.00 32.31 N ATOM 654 CA VAL A 44 31.702 -13.224 -9.618 1.00 73.13 C ATOM 655 C VAL A 44 30.748 -12.082 -9.286 1.00 42.23 C ATOM 656 O VAL A 44 29.615 -12.309 -8.864 1.00 53.02 O ATOM 657 CB VAL A 44 32.617 -13.483 -8.407 1.00 12.13 C ATOM 658 CG1 VAL A 44 33.509 -12.279 -8.144 1.00 61.34 C ATOM 659 CG2 VAL A 44 31.788 -13.821 -7.176 1.00 43.14 C ATOM 0 H VAL A 44 33.470 -12.763 -10.647 1.00 32.31 H new ATOM 0 HA VAL A 44 31.126 -14.125 -9.828 1.00 73.13 H new ATOM 0 HB VAL A 44 33.256 -14.336 -8.633 1.00 12.13 H new ATOM 0 HG11 VAL A 44 34.148 -12.481 -7.285 1.00 61.34 H new ATOM 0 HG12 VAL A 44 34.128 -12.087 -9.020 1.00 61.34 H new ATOM 0 HG13 VAL A 44 32.890 -11.406 -7.939 1.00 61.34 H new ATOM 0 HG21 VAL A 44 32.451 -14.001 -6.329 1.00 43.14 H new ATOM 0 HG22 VAL A 44 31.123 -12.989 -6.946 1.00 43.14 H new ATOM 0 HG23 VAL A 44 31.196 -14.715 -7.370 1.00 43.14 H new ATOM 669 N MET A 45 31.215 -10.853 -9.481 1.00 4.15 N ATOM 670 CA MET A 45 30.403 -9.674 -9.203 1.00 71.12 C ATOM 671 C MET A 45 29.270 -9.544 -10.216 1.00 61.04 C ATOM 672 O MET A 45 28.127 -9.270 -9.851 1.00 61.44 O ATOM 673 CB MET A 45 31.270 -8.414 -9.226 1.00 10.15 C ATOM 674 CG MET A 45 31.588 -7.871 -7.842 1.00 2.31 C ATOM 675 SD MET A 45 31.959 -6.106 -7.857 1.00 65.30 S ATOM 676 CE MET A 45 30.329 -5.415 -7.590 1.00 51.13 C ATOM 0 H MET A 45 32.151 -10.648 -9.830 1.00 4.15 H new ATOM 0 HA MET A 45 29.968 -9.789 -8.210 1.00 71.12 H new ATOM 0 HB2 MET A 45 32.203 -8.634 -9.744 1.00 10.15 H new ATOM 0 HB3 MET A 45 30.760 -7.642 -9.802 1.00 10.15 H new ATOM 0 HG2 MET A 45 30.741 -8.055 -7.180 1.00 2.31 H new ATOM 0 HG3 MET A 45 32.439 -8.414 -7.430 1.00 2.31 H new ATOM 0 HE1 MET A 45 30.388 -4.622 -6.845 1.00 51.13 H new ATOM 0 HE2 MET A 45 29.949 -5.006 -8.526 1.00 51.13 H new ATOM 0 HE3 MET A 45 29.656 -6.196 -7.236 1.00 51.13 H new ATOM 686 N MET A 46 29.595 -9.742 -11.490 1.00 4.43 N ATOM 687 CA MET A 46 28.604 -9.647 -12.555 1.00 11.10 C ATOM 688 C MET A 46 27.595 -10.787 -12.462 1.00 20.25 C ATOM 689 O MET A 46 26.406 -10.598 -12.717 1.00 35.42 O ATOM 690 CB MET A 46 29.290 -9.668 -13.922 1.00 53.14 C ATOM 691 CG MET A 46 29.729 -11.056 -14.361 1.00 1.54 C ATOM 692 SD MET A 46 30.475 -11.062 -16.002 1.00 40.32 S ATOM 693 CE MET A 46 29.044 -10.726 -17.026 1.00 10.14 C ATOM 0 H MET A 46 30.537 -9.969 -11.809 1.00 4.43 H new ATOM 0 HA MET A 46 28.071 -8.703 -12.438 1.00 11.10 H new ATOM 0 HB2 MET A 46 28.608 -9.259 -14.668 1.00 53.14 H new ATOM 0 HB3 MET A 46 30.161 -9.013 -13.892 1.00 53.14 H new ATOM 0 HG2 MET A 46 30.444 -11.452 -13.640 1.00 1.54 H new ATOM 0 HG3 MET A 46 28.868 -11.724 -14.355 1.00 1.54 H new ATOM 0 HE1 MET A 46 29.266 -10.992 -18.060 1.00 10.14 H new ATOM 0 HE2 MET A 46 28.198 -11.316 -16.673 1.00 10.14 H new ATOM 0 HE3 MET A 46 28.796 -9.666 -16.969 1.00 10.14 H new ATOM 703 N ASP A 47 28.077 -11.969 -12.095 1.00 25.31 N ATOM 704 CA ASP A 47 27.217 -13.140 -11.967 1.00 42.11 C ATOM 705 C ASP A 47 26.275 -12.995 -10.776 1.00 43.30 C ATOM 706 O ASP A 47 25.097 -13.342 -10.857 1.00 53.54 O ATOM 707 CB ASP A 47 28.062 -14.406 -11.814 1.00 11.32 C ATOM 708 CG ASP A 47 27.248 -15.589 -11.329 1.00 24.43 C ATOM 709 OD1 ASP A 47 26.596 -16.245 -12.168 1.00 45.31 O ATOM 710 OD2 ASP A 47 27.263 -15.860 -10.109 1.00 72.03 O ATOM 0 H ASP A 47 29.059 -12.142 -11.881 1.00 25.31 H new ATOM 0 HA ASP A 47 26.617 -13.220 -12.874 1.00 42.11 H new ATOM 0 HB2 ASP A 47 28.520 -14.652 -12.772 1.00 11.32 H new ATOM 0 HB3 ASP A 47 28.874 -14.215 -11.112 1.00 11.32 H new ATOM 715 N PHE A 48 26.803 -12.481 -9.670 1.00 1.10 N ATOM 716 CA PHE A 48 26.010 -12.292 -8.461 1.00 1.31 C ATOM 717 C PHE A 48 25.028 -11.136 -8.630 1.00 32.30 C ATOM 718 O PHE A 48 23.856 -11.247 -8.269 1.00 13.50 O ATOM 719 CB PHE A 48 26.924 -12.028 -7.262 1.00 52.23 C ATOM 720 CG PHE A 48 26.184 -11.600 -6.027 1.00 51.12 C ATOM 721 CD1 PHE A 48 25.866 -10.267 -5.821 1.00 22.22 C ATOM 722 CD2 PHE A 48 25.807 -12.530 -5.072 1.00 74.34 C ATOM 723 CE1 PHE A 48 25.185 -9.870 -4.686 1.00 0.05 C ATOM 724 CE2 PHE A 48 25.125 -12.139 -3.935 1.00 60.25 C ATOM 725 CZ PHE A 48 24.815 -10.807 -3.741 1.00 71.32 C ATOM 0 H PHE A 48 27.776 -12.188 -9.586 1.00 1.10 H new ATOM 0 HA PHE A 48 25.442 -13.205 -8.282 1.00 1.31 H new ATOM 0 HB2 PHE A 48 27.491 -12.933 -7.041 1.00 52.23 H new ATOM 0 HB3 PHE A 48 27.646 -11.257 -7.529 1.00 52.23 H new ATOM 0 HD1 PHE A 48 26.154 -9.530 -6.556 1.00 22.22 H new ATOM 0 HD2 PHE A 48 26.049 -13.573 -5.217 1.00 74.34 H new ATOM 0 HE1 PHE A 48 24.942 -8.828 -4.538 1.00 0.05 H new ATOM 0 HE2 PHE A 48 24.835 -12.874 -3.199 1.00 60.25 H new ATOM 0 HZ PHE A 48 24.284 -10.499 -2.852 1.00 71.32 H new ATOM 735 N ILE A 49 25.515 -10.029 -9.180 1.00 72.44 N ATOM 736 CA ILE A 49 24.681 -8.854 -9.398 1.00 34.12 C ATOM 737 C ILE A 49 23.526 -9.167 -10.344 1.00 44.31 C ATOM 738 O ILE A 49 22.371 -8.853 -10.056 1.00 24.54 O ATOM 739 CB ILE A 49 25.498 -7.682 -9.973 1.00 31.13 C ATOM 740 CG1 ILE A 49 25.980 -6.767 -8.845 1.00 50.34 C ATOM 741 CG2 ILE A 49 24.667 -6.900 -10.979 1.00 32.03 C ATOM 742 CD1 ILE A 49 27.037 -7.397 -7.965 1.00 53.25 C ATOM 0 H ILE A 49 26.483 -9.921 -9.483 1.00 72.44 H new ATOM 0 HA ILE A 49 24.283 -8.565 -8.425 1.00 34.12 H new ATOM 0 HB ILE A 49 26.371 -8.084 -10.488 1.00 31.13 H new ATOM 0 HG12 ILE A 49 26.379 -5.850 -9.278 1.00 50.34 H new ATOM 0 HG13 ILE A 49 25.127 -6.484 -8.228 1.00 50.34 H new ATOM 0 HG21 ILE A 49 25.258 -6.075 -11.376 1.00 32.03 H new ATOM 0 HG22 ILE A 49 24.369 -7.559 -11.795 1.00 32.03 H new ATOM 0 HG23 ILE A 49 23.778 -6.505 -10.488 1.00 32.03 H new ATOM 0 HD11 ILE A 49 27.331 -6.692 -7.188 1.00 53.25 H new ATOM 0 HD12 ILE A 49 26.636 -8.299 -7.503 1.00 53.25 H new ATOM 0 HD13 ILE A 49 27.907 -7.655 -8.569 1.00 53.25 H new ATOM 754 N SER A 50 23.847 -9.788 -11.475 1.00 12.14 N ATOM 755 CA SER A 50 22.837 -10.142 -12.465 1.00 51.22 C ATOM 756 C SER A 50 21.856 -11.164 -11.899 1.00 71.24 C ATOM 757 O SER A 50 20.656 -11.105 -12.169 1.00 42.04 O ATOM 758 CB SER A 50 23.501 -10.699 -13.725 1.00 65.15 C ATOM 759 OG SER A 50 22.674 -10.517 -14.861 1.00 41.34 O ATOM 0 H SER A 50 24.798 -10.056 -11.728 1.00 12.14 H new ATOM 0 HA SER A 50 22.285 -9.239 -12.723 1.00 51.22 H new ATOM 0 HB2 SER A 50 24.458 -10.203 -13.885 1.00 65.15 H new ATOM 0 HB3 SER A 50 23.711 -11.760 -13.590 1.00 65.15 H new ATOM 0 HG SER A 50 23.122 -10.880 -15.653 1.00 41.34 H new ATOM 765 N ARG A 51 22.375 -12.101 -11.113 1.00 64.21 N ATOM 766 CA ARG A 51 21.547 -13.138 -10.510 1.00 12.13 C ATOM 767 C ARG A 51 20.677 -12.560 -9.397 1.00 4.21 C ATOM 768 O ARG A 51 19.581 -13.053 -9.131 1.00 61.34 O ATOM 769 CB ARG A 51 22.423 -14.262 -9.955 1.00 21.42 C ATOM 770 CG ARG A 51 22.873 -15.261 -11.009 1.00 11.30 C ATOM 771 CD ARG A 51 23.792 -16.318 -10.418 1.00 64.24 C ATOM 772 NE ARG A 51 23.969 -17.454 -11.319 1.00 65.10 N ATOM 773 CZ ARG A 51 23.018 -18.345 -11.575 1.00 14.42 C ATOM 774 NH1 ARG A 51 21.828 -18.231 -11.001 1.00 55.04 N ATOM 775 NH2 ARG A 51 23.255 -19.351 -12.406 1.00 60.21 N ATOM 0 H ARG A 51 23.366 -12.163 -10.879 1.00 64.21 H new ATOM 0 HA ARG A 51 20.896 -13.543 -11.284 1.00 12.13 H new ATOM 0 HB2 ARG A 51 23.302 -13.826 -9.481 1.00 21.42 H new ATOM 0 HB3 ARG A 51 21.872 -14.791 -9.178 1.00 21.42 H new ATOM 0 HG2 ARG A 51 22.001 -15.742 -11.452 1.00 11.30 H new ATOM 0 HG3 ARG A 51 23.390 -14.736 -11.812 1.00 11.30 H new ATOM 0 HD2 ARG A 51 24.763 -15.873 -10.200 1.00 64.24 H new ATOM 0 HD3 ARG A 51 23.381 -16.667 -9.471 1.00 64.24 H new ATOM 0 HE ARG A 51 24.873 -17.569 -11.777 1.00 65.10 H new ATOM 0 HH11 ARG A 51 21.642 -17.458 -10.362 1.00 55.04 H new ATOM 0 HH12 ARG A 51 21.099 -18.916 -11.199 1.00 55.04 H new ATOM 0 HH21 ARG A 51 24.169 -19.441 -12.850 1.00 60.21 H new ATOM 0 HH22 ARG A 51 22.523 -20.034 -12.601 1.00 60.21 H new ATOM 789 N PHE A 52 21.174 -11.511 -8.749 1.00 24.41 N ATOM 790 CA PHE A 52 20.444 -10.867 -7.664 1.00 1.23 C ATOM 791 C PHE A 52 19.625 -9.689 -8.184 1.00 34.42 C ATOM 792 O PHE A 52 18.803 -9.125 -7.463 1.00 14.13 O ATOM 793 CB PHE A 52 21.414 -10.389 -6.581 1.00 70.10 C ATOM 794 CG PHE A 52 21.683 -11.418 -5.521 1.00 30.43 C ATOM 795 CD1 PHE A 52 21.969 -12.730 -5.866 1.00 54.50 C ATOM 796 CD2 PHE A 52 21.651 -11.075 -4.179 1.00 12.21 C ATOM 797 CE1 PHE A 52 22.216 -13.679 -4.892 1.00 53.33 C ATOM 798 CE2 PHE A 52 21.897 -12.020 -3.201 1.00 5.44 C ATOM 799 CZ PHE A 52 22.181 -13.323 -3.558 1.00 64.00 C ATOM 0 H PHE A 52 22.079 -11.089 -8.957 1.00 24.41 H new ATOM 0 HA PHE A 52 19.762 -11.600 -7.233 1.00 1.23 H new ATOM 0 HB2 PHE A 52 22.357 -10.105 -7.049 1.00 70.10 H new ATOM 0 HB3 PHE A 52 21.009 -9.493 -6.111 1.00 70.10 H new ATOM 0 HD1 PHE A 52 21.999 -13.014 -6.908 1.00 54.50 H new ATOM 0 HD2 PHE A 52 21.431 -10.057 -3.894 1.00 12.21 H new ATOM 0 HE1 PHE A 52 22.436 -14.698 -5.174 1.00 53.33 H new ATOM 0 HE2 PHE A 52 21.867 -11.739 -2.159 1.00 5.44 H new ATOM 0 HZ PHE A 52 22.375 -14.063 -2.795 1.00 64.00 H new ATOM 809 N ALA A 53 19.856 -9.324 -9.441 1.00 30.44 N ATOM 810 CA ALA A 53 19.139 -8.216 -10.058 1.00 42.24 C ATOM 811 C ALA A 53 17.951 -8.716 -10.873 1.00 65.14 C ATOM 812 O ALA A 53 17.935 -9.861 -11.326 1.00 3.00 O ATOM 813 CB ALA A 53 20.079 -7.403 -10.936 1.00 64.12 C ATOM 0 H ALA A 53 20.534 -9.780 -10.051 1.00 30.44 H new ATOM 0 HA ALA A 53 18.757 -7.576 -9.263 1.00 42.24 H new ATOM 0 HB1 ALA A 53 19.530 -6.578 -11.391 1.00 64.12 H new ATOM 0 HB2 ALA A 53 20.892 -7.006 -10.328 1.00 64.12 H new ATOM 0 HB3 ALA A 53 20.489 -8.041 -11.719 1.00 64.12 H new ATOM 819 N ARG A 54 16.959 -7.852 -11.056 1.00 52.41 N ATOM 820 CA ARG A 54 15.766 -8.207 -11.815 1.00 70.12 C ATOM 821 C ARG A 54 15.445 -7.138 -12.856 1.00 64.52 C ATOM 822 O ARG A 54 15.330 -5.956 -12.533 1.00 53.31 O ATOM 823 CB ARG A 54 14.574 -8.392 -10.875 1.00 34.40 C ATOM 824 CG ARG A 54 14.881 -9.259 -9.665 1.00 70.51 C ATOM 825 CD ARG A 54 13.655 -9.441 -8.784 1.00 2.45 C ATOM 826 NE ARG A 54 12.761 -10.475 -9.296 1.00 15.01 N ATOM 827 CZ ARG A 54 11.613 -10.808 -8.715 1.00 50.54 C ATOM 828 NH1 ARG A 54 11.222 -10.190 -7.609 1.00 44.00 N ATOM 829 NH2 ARG A 54 10.853 -11.759 -9.242 1.00 21.41 N ATOM 0 H ARG A 54 16.957 -6.900 -10.689 1.00 52.41 H new ATOM 0 HA ARG A 54 15.962 -9.146 -12.332 1.00 70.12 H new ATOM 0 HB2 ARG A 54 14.236 -7.414 -10.534 1.00 34.40 H new ATOM 0 HB3 ARG A 54 13.749 -8.838 -11.431 1.00 34.40 H new ATOM 0 HG2 ARG A 54 15.240 -10.233 -9.996 1.00 70.51 H new ATOM 0 HG3 ARG A 54 15.683 -8.804 -9.084 1.00 70.51 H new ATOM 0 HD2 ARG A 54 13.970 -9.702 -7.774 1.00 2.45 H new ATOM 0 HD3 ARG A 54 13.115 -8.497 -8.715 1.00 2.45 H new ATOM 0 HE ARG A 54 13.032 -10.969 -10.146 1.00 15.01 H new ATOM 0 HH11 ARG A 54 11.803 -9.457 -7.202 1.00 44.00 H new ATOM 0 HH12 ARG A 54 10.340 -10.448 -7.165 1.00 44.00 H new ATOM 0 HH21 ARG A 54 11.150 -12.235 -10.094 1.00 21.41 H new ATOM 0 HH22 ARG A 54 9.972 -12.014 -8.795 1.00 21.41 H new ATOM 843 N THR A 55 15.303 -7.563 -14.108 1.00 42.31 N ATOM 844 CA THR A 55 14.998 -6.643 -15.197 1.00 31.13 C ATOM 845 C THR A 55 13.536 -6.212 -15.159 1.00 23.03 C ATOM 846 O THR A 55 12.765 -6.518 -16.068 1.00 42.25 O ATOM 847 CB THR A 55 15.299 -7.276 -16.568 1.00 61.32 C ATOM 848 OG1 THR A 55 14.420 -8.383 -16.801 1.00 1.43 O ATOM 849 CG2 THR A 55 16.744 -7.746 -16.642 1.00 21.02 C ATOM 0 H THR A 55 15.394 -8.538 -14.393 1.00 42.31 H new ATOM 0 HA THR A 55 15.635 -5.769 -15.061 1.00 31.13 H new ATOM 0 HB THR A 55 15.140 -6.518 -17.335 1.00 61.32 H new ATOM 0 HG1 THR A 55 13.491 -8.071 -16.791 1.00 1.43 H new ATOM 0 HG21 THR A 55 16.933 -8.190 -17.620 1.00 21.02 H new ATOM 0 HG22 THR A 55 17.411 -6.897 -16.494 1.00 21.02 H new ATOM 0 HG23 THR A 55 16.925 -8.489 -15.865 1.00 21.02 H new ATOM 857 N ASP A 56 13.162 -5.500 -14.102 1.00 33.14 N ATOM 858 CA ASP A 56 11.792 -5.025 -13.946 1.00 73.11 C ATOM 859 C ASP A 56 11.770 -3.571 -13.484 1.00 32.52 C ATOM 860 O ASP A 56 12.814 -2.984 -13.205 1.00 42.43 O ATOM 861 CB ASP A 56 11.035 -5.902 -12.947 1.00 63.44 C ATOM 862 CG ASP A 56 10.852 -7.322 -13.447 1.00 20.13 C ATOM 863 OD1 ASP A 56 11.779 -8.140 -13.265 1.00 52.53 O ATOM 864 OD2 ASP A 56 9.781 -7.616 -14.018 1.00 44.01 O ATOM 0 H ASP A 56 13.788 -5.239 -13.340 1.00 33.14 H new ATOM 0 HA ASP A 56 11.300 -5.087 -14.917 1.00 73.11 H new ATOM 0 HB2 ASP A 56 11.576 -5.920 -12.001 1.00 63.44 H new ATOM 0 HB3 ASP A 56 10.058 -5.461 -12.748 1.00 63.44 H new ATOM 869 N GLU A 57 10.573 -2.998 -13.406 1.00 33.41 N ATOM 870 CA GLU A 57 10.416 -1.613 -12.979 1.00 42.12 C ATOM 871 C GLU A 57 9.432 -1.509 -11.818 1.00 31.23 C ATOM 872 O GLU A 57 9.111 -2.507 -11.172 1.00 32.23 O ATOM 873 CB GLU A 57 9.937 -0.747 -14.147 1.00 23.54 C ATOM 874 CG GLU A 57 8.473 -0.952 -14.496 1.00 32.44 C ATOM 875 CD GLU A 57 8.121 -0.422 -15.872 1.00 1.52 C ATOM 876 OE1 GLU A 57 8.383 0.771 -16.133 1.00 11.10 O ATOM 877 OE2 GLU A 57 7.584 -1.200 -16.688 1.00 1.23 O ATOM 0 H GLU A 57 9.698 -3.471 -13.633 1.00 33.41 H new ATOM 0 HA GLU A 57 11.388 -1.252 -12.642 1.00 42.12 H new ATOM 0 HB2 GLU A 57 10.100 0.302 -13.901 1.00 23.54 H new ATOM 0 HB3 GLU A 57 10.545 -0.967 -15.024 1.00 23.54 H new ATOM 0 HG2 GLU A 57 8.238 -2.015 -14.449 1.00 32.44 H new ATOM 0 HG3 GLU A 57 7.853 -0.455 -13.750 1.00 32.44 H new ATOM 884 N ILE A 58 8.958 -0.295 -11.558 1.00 74.45 N ATOM 885 CA ILE A 58 8.010 -0.061 -10.476 1.00 21.21 C ATOM 886 C ILE A 58 6.615 0.227 -11.019 1.00 73.44 C ATOM 887 O ILE A 58 6.441 1.076 -11.893 1.00 31.20 O ATOM 888 CB ILE A 58 8.454 1.113 -9.584 1.00 14.22 C ATOM 889 CG1 ILE A 58 9.309 2.096 -10.385 1.00 45.24 C ATOM 890 CG2 ILE A 58 9.220 0.599 -8.374 1.00 40.52 C ATOM 891 CD1 ILE A 58 8.546 2.810 -11.478 1.00 53.35 C ATOM 0 H ILE A 58 9.215 0.542 -12.082 1.00 74.45 H new ATOM 0 HA ILE A 58 7.983 -0.972 -9.878 1.00 21.21 H new ATOM 0 HB ILE A 58 7.566 1.638 -9.231 1.00 14.22 H new ATOM 0 HG12 ILE A 58 9.731 2.836 -9.705 1.00 45.24 H new ATOM 0 HG13 ILE A 58 10.146 1.558 -10.830 1.00 45.24 H new ATOM 0 HG21 ILE A 58 9.527 1.441 -7.753 1.00 40.52 H new ATOM 0 HG22 ILE A 58 8.580 -0.065 -7.794 1.00 40.52 H new ATOM 0 HG23 ILE A 58 10.103 0.053 -8.707 1.00 40.52 H new ATOM 0 HD11 ILE A 58 9.215 3.491 -12.004 1.00 53.35 H new ATOM 0 HD12 ILE A 58 8.147 2.078 -12.181 1.00 53.35 H new ATOM 0 HD13 ILE A 58 7.725 3.376 -11.038 1.00 53.35 H new ATOM 903 N MET A 59 5.623 -0.486 -10.495 1.00 12.52 N ATOM 904 CA MET A 59 4.241 -0.304 -10.925 1.00 64.14 C ATOM 905 C MET A 59 3.649 0.969 -10.329 1.00 33.40 C ATOM 906 O MET A 59 4.185 1.548 -9.384 1.00 52.23 O ATOM 907 CB MET A 59 3.396 -1.513 -10.520 1.00 55.15 C ATOM 908 CG MET A 59 3.072 -2.443 -11.678 1.00 72.32 C ATOM 909 SD MET A 59 1.867 -3.709 -11.236 1.00 32.54 S ATOM 910 CE MET A 59 2.944 -5.004 -10.627 1.00 64.44 C ATOM 0 H MET A 59 5.750 -1.195 -9.773 1.00 12.52 H new ATOM 0 HA MET A 59 4.233 -0.212 -12.011 1.00 64.14 H new ATOM 0 HB2 MET A 59 3.926 -2.075 -9.751 1.00 55.15 H new ATOM 0 HB3 MET A 59 2.465 -1.162 -10.075 1.00 55.15 H new ATOM 0 HG2 MET A 59 2.688 -1.857 -12.513 1.00 72.32 H new ATOM 0 HG3 MET A 59 3.989 -2.923 -12.021 1.00 72.32 H new ATOM 0 HE1 MET A 59 2.344 -5.859 -10.314 1.00 64.44 H new ATOM 0 HE2 MET A 59 3.628 -5.311 -11.418 1.00 64.44 H new ATOM 0 HE3 MET A 59 3.516 -4.632 -9.777 1.00 64.44 H new ATOM 920 N PRO A 60 2.516 1.416 -10.892 1.00 23.50 N ATOM 921 CA PRO A 60 1.827 2.624 -10.431 1.00 54.22 C ATOM 922 C PRO A 60 1.187 2.439 -9.059 1.00 42.43 C ATOM 923 O PRO A 60 0.796 3.410 -8.412 1.00 22.25 O ATOM 924 CB PRO A 60 0.751 2.847 -11.497 1.00 74.30 C ATOM 925 CG PRO A 60 0.503 1.495 -12.073 1.00 13.40 C ATOM 926 CD PRO A 60 1.822 0.775 -12.021 1.00 74.14 C ATOM 0 HA PRO A 60 2.512 3.464 -10.314 1.00 54.22 H new ATOM 0 HB2 PRO A 60 -0.157 3.265 -11.062 1.00 74.30 H new ATOM 0 HB3 PRO A 60 1.089 3.547 -12.261 1.00 74.30 H new ATOM 0 HG2 PRO A 60 -0.256 0.961 -11.502 1.00 13.40 H new ATOM 0 HG3 PRO A 60 0.138 1.568 -13.098 1.00 13.40 H new ATOM 0 HD2 PRO A 60 1.690 -0.294 -11.857 1.00 74.14 H new ATOM 0 HD3 PRO A 60 2.379 0.888 -12.951 1.00 74.14 H new ATOM 934 N GLU A 61 1.085 1.188 -8.623 1.00 33.12 N ATOM 935 CA GLU A 61 0.492 0.878 -7.327 1.00 70.42 C ATOM 936 C GLU A 61 1.530 0.986 -6.214 1.00 62.40 C ATOM 937 O GLU A 61 1.185 1.087 -5.037 1.00 22.04 O ATOM 938 CB GLU A 61 -0.112 -0.528 -7.341 1.00 73.14 C ATOM 939 CG GLU A 61 0.919 -1.635 -7.200 1.00 33.22 C ATOM 940 CD GLU A 61 0.331 -3.013 -7.433 1.00 74.31 C ATOM 941 OE1 GLU A 61 -0.660 -3.117 -8.187 1.00 4.33 O ATOM 942 OE2 GLU A 61 0.862 -3.989 -6.862 1.00 15.34 O ATOM 0 H GLU A 61 1.405 0.373 -9.147 1.00 33.12 H new ATOM 0 HA GLU A 61 -0.298 1.604 -7.135 1.00 70.42 H new ATOM 0 HB2 GLU A 61 -0.836 -0.612 -6.530 1.00 73.14 H new ATOM 0 HB3 GLU A 61 -0.660 -0.670 -8.273 1.00 73.14 H new ATOM 0 HG2 GLU A 61 1.729 -1.465 -7.910 1.00 33.22 H new ATOM 0 HG3 GLU A 61 1.356 -1.594 -6.202 1.00 33.22 H new ATOM 949 N ASP A 62 2.802 0.962 -6.596 1.00 4.34 N ATOM 950 CA ASP A 62 3.892 1.058 -5.631 1.00 31.10 C ATOM 951 C ASP A 62 4.814 2.226 -5.967 1.00 63.50 C ATOM 952 O ASP A 62 4.477 3.083 -6.784 1.00 35.14 O ATOM 953 CB ASP A 62 4.690 -0.246 -5.600 1.00 61.31 C ATOM 954 CG ASP A 62 4.123 -1.294 -6.537 1.00 62.43 C ATOM 955 OD1 ASP A 62 4.216 -1.103 -7.768 1.00 64.01 O ATOM 956 OD2 ASP A 62 3.587 -2.307 -6.040 1.00 41.52 O ATOM 0 H ASP A 62 3.104 0.877 -7.567 1.00 4.34 H new ATOM 0 HA ASP A 62 3.459 1.233 -4.646 1.00 31.10 H new ATOM 0 HB2 ASP A 62 5.725 -0.041 -5.872 1.00 61.31 H new ATOM 0 HB3 ASP A 62 4.699 -0.639 -4.583 1.00 61.31 H new ATOM 961 N LYS A 63 5.981 2.253 -5.331 1.00 53.42 N ATOM 962 CA LYS A 63 6.953 3.315 -5.562 1.00 2.02 C ATOM 963 C LYS A 63 8.363 2.845 -5.219 1.00 63.14 C ATOM 964 O LYS A 63 8.575 1.682 -4.872 1.00 52.34 O ATOM 965 CB LYS A 63 6.599 4.549 -4.729 1.00 22.14 C ATOM 966 CG LYS A 63 5.531 4.289 -3.681 1.00 12.13 C ATOM 967 CD LYS A 63 5.414 5.447 -2.704 1.00 42.41 C ATOM 968 CE LYS A 63 4.012 5.549 -2.125 1.00 15.11 C ATOM 969 NZ LYS A 63 4.022 6.088 -0.737 1.00 23.03 N ATOM 0 H LYS A 63 6.276 1.552 -4.652 1.00 53.42 H new ATOM 0 HA LYS A 63 6.923 3.577 -6.620 1.00 2.02 H new ATOM 0 HB2 LYS A 63 7.499 4.914 -4.235 1.00 22.14 H new ATOM 0 HB3 LYS A 63 6.257 5.341 -5.395 1.00 22.14 H new ATOM 0 HG2 LYS A 63 4.571 4.127 -4.171 1.00 12.13 H new ATOM 0 HG3 LYS A 63 5.769 3.375 -3.137 1.00 12.13 H new ATOM 0 HD2 LYS A 63 6.134 5.317 -1.896 1.00 42.41 H new ATOM 0 HD3 LYS A 63 5.668 6.378 -3.210 1.00 42.41 H new ATOM 0 HE2 LYS A 63 3.403 6.193 -2.760 1.00 15.11 H new ATOM 0 HE3 LYS A 63 3.545 4.564 -2.129 1.00 15.11 H new ATOM 0 HZ1 LYS A 63 3.047 6.142 -0.378 1.00 23.03 H new ATOM 0 HZ2 LYS A 63 4.582 5.461 -0.125 1.00 23.03 H new ATOM 0 HZ3 LYS A 63 4.444 7.039 -0.737 1.00 23.03 H new ATOM 983 N THR A 64 9.326 3.756 -5.318 1.00 4.13 N ATOM 984 CA THR A 64 10.716 3.435 -5.018 1.00 60.23 C ATOM 985 C THR A 64 11.212 4.215 -3.806 1.00 33.31 C ATOM 986 O THR A 64 11.296 5.443 -3.837 1.00 32.51 O ATOM 987 CB THR A 64 11.633 3.736 -6.218 1.00 65.04 C ATOM 988 OG1 THR A 64 11.704 2.594 -7.080 1.00 11.32 O ATOM 989 CG2 THR A 64 13.031 4.111 -5.750 1.00 43.31 C ATOM 0 H THR A 64 9.169 4.722 -5.604 1.00 4.13 H new ATOM 0 HA THR A 64 10.754 2.368 -4.799 1.00 60.23 H new ATOM 0 HB THR A 64 11.212 4.579 -6.766 1.00 65.04 H new ATOM 0 HG1 THR A 64 12.058 1.829 -6.581 1.00 11.32 H new ATOM 0 HG21 THR A 64 13.661 4.319 -6.615 1.00 43.31 H new ATOM 0 HG22 THR A 64 12.978 4.998 -5.118 1.00 43.31 H new ATOM 0 HG23 THR A 64 13.458 3.285 -5.181 1.00 43.31 H new ATOM 997 N VAL A 65 11.540 3.494 -2.738 1.00 51.11 N ATOM 998 CA VAL A 65 12.029 4.119 -1.515 1.00 64.02 C ATOM 999 C VAL A 65 13.199 5.053 -1.805 1.00 63.53 C ATOM 1000 O VAL A 65 13.333 6.108 -1.187 1.00 62.31 O ATOM 1001 CB VAL A 65 12.472 3.064 -0.484 1.00 63.22 C ATOM 1002 CG1 VAL A 65 13.283 1.967 -1.157 1.00 62.02 C ATOM 1003 CG2 VAL A 65 13.268 3.716 0.636 1.00 24.42 C ATOM 0 H VAL A 65 11.476 2.477 -2.695 1.00 51.11 H new ATOM 0 HA VAL A 65 11.202 4.695 -1.101 1.00 64.02 H new ATOM 0 HB VAL A 65 11.582 2.609 -0.049 1.00 63.22 H new ATOM 0 HG11 VAL A 65 13.587 1.231 -0.413 1.00 62.02 H new ATOM 0 HG12 VAL A 65 12.675 1.481 -1.920 1.00 62.02 H new ATOM 0 HG13 VAL A 65 14.169 2.402 -1.621 1.00 62.02 H new ATOM 0 HG21 VAL A 65 13.573 2.956 1.356 1.00 24.42 H new ATOM 0 HG22 VAL A 65 14.153 4.198 0.220 1.00 24.42 H new ATOM 0 HG23 VAL A 65 12.649 4.461 1.136 1.00 24.42 H new ATOM 1013 N GLY A 66 14.045 4.656 -2.752 1.00 2.24 N ATOM 1014 CA GLY A 66 15.193 5.469 -3.108 1.00 4.00 C ATOM 1015 C GLY A 66 16.339 4.644 -3.659 1.00 62.12 C ATOM 1016 O GLY A 66 16.180 3.456 -3.939 1.00 32.51 O ATOM 0 H GLY A 66 13.955 3.787 -3.278 1.00 2.24 H new ATOM 0 HA2 GLY A 66 14.894 6.210 -3.849 1.00 4.00 H new ATOM 0 HA3 GLY A 66 15.533 6.017 -2.229 1.00 4.00 H new ATOM 1020 N PHE A 67 17.498 5.275 -3.818 1.00 30.11 N ATOM 1021 CA PHE A 67 18.675 4.592 -4.342 1.00 71.13 C ATOM 1022 C PHE A 67 19.886 4.829 -3.445 1.00 41.11 C ATOM 1023 O PHE A 67 20.013 5.882 -2.819 1.00 71.34 O ATOM 1024 CB PHE A 67 18.977 5.071 -5.764 1.00 24.53 C ATOM 1025 CG PHE A 67 19.368 6.519 -5.838 1.00 61.11 C ATOM 1026 CD1 PHE A 67 18.404 7.513 -5.798 1.00 1.24 C ATOM 1027 CD2 PHE A 67 20.700 6.886 -5.949 1.00 74.12 C ATOM 1028 CE1 PHE A 67 18.760 8.847 -5.865 1.00 43.05 C ATOM 1029 CE2 PHE A 67 21.062 8.218 -6.017 1.00 32.00 C ATOM 1030 CZ PHE A 67 20.091 9.200 -5.976 1.00 60.34 C ATOM 0 H PHE A 67 17.647 6.258 -3.591 1.00 30.11 H new ATOM 0 HA PHE A 67 18.465 3.523 -4.363 1.00 71.13 H new ATOM 0 HB2 PHE A 67 19.781 4.464 -6.180 1.00 24.53 H new ATOM 0 HB3 PHE A 67 18.098 4.908 -6.388 1.00 24.53 H new ATOM 0 HD1 PHE A 67 17.362 7.242 -5.713 1.00 1.24 H new ATOM 0 HD2 PHE A 67 21.463 6.123 -5.983 1.00 74.12 H new ATOM 0 HE1 PHE A 67 17.999 9.612 -5.831 1.00 43.05 H new ATOM 0 HE2 PHE A 67 22.103 8.491 -6.102 1.00 32.00 H new ATOM 0 HZ PHE A 67 20.372 10.241 -6.031 1.00 60.34 H new ATOM 1040 N VAL A 68 20.774 3.842 -3.387 1.00 65.11 N ATOM 1041 CA VAL A 68 21.976 3.942 -2.568 1.00 22.04 C ATOM 1042 C VAL A 68 23.234 3.872 -3.426 1.00 22.21 C ATOM 1043 O VAL A 68 23.379 2.980 -4.262 1.00 43.12 O ATOM 1044 CB VAL A 68 22.028 2.825 -1.508 1.00 72.03 C ATOM 1045 CG1 VAL A 68 23.271 2.966 -0.644 1.00 24.32 C ATOM 1046 CG2 VAL A 68 20.769 2.843 -0.654 1.00 5.33 C ATOM 0 H VAL A 68 20.684 2.964 -3.898 1.00 65.11 H new ATOM 0 HA VAL A 68 21.936 4.908 -2.065 1.00 22.04 H new ATOM 0 HB VAL A 68 22.079 1.864 -2.020 1.00 72.03 H new ATOM 0 HG11 VAL A 68 23.290 2.168 0.099 1.00 24.32 H new ATOM 0 HG12 VAL A 68 24.160 2.899 -1.271 1.00 24.32 H new ATOM 0 HG13 VAL A 68 23.255 3.932 -0.139 1.00 24.32 H new ATOM 0 HG21 VAL A 68 20.822 2.048 0.089 1.00 5.33 H new ATOM 0 HG22 VAL A 68 20.685 3.806 -0.150 1.00 5.33 H new ATOM 0 HG23 VAL A 68 19.897 2.688 -1.289 1.00 5.33 H new ATOM 1056 N VAL A 69 24.143 4.818 -3.213 1.00 52.41 N ATOM 1057 CA VAL A 69 25.390 4.864 -3.966 1.00 65.31 C ATOM 1058 C VAL A 69 26.560 4.370 -3.122 1.00 20.10 C ATOM 1059 O VAL A 69 26.862 4.933 -2.070 1.00 12.22 O ATOM 1060 CB VAL A 69 25.695 6.290 -4.462 1.00 24.31 C ATOM 1061 CG1 VAL A 69 26.896 6.285 -5.395 1.00 43.34 C ATOM 1062 CG2 VAL A 69 24.477 6.886 -5.150 1.00 51.01 C ATOM 0 H VAL A 69 24.039 5.563 -2.524 1.00 52.41 H new ATOM 0 HA VAL A 69 25.264 4.208 -4.827 1.00 65.31 H new ATOM 0 HB VAL A 69 25.937 6.912 -3.600 1.00 24.31 H new ATOM 0 HG11 VAL A 69 27.097 7.301 -5.735 1.00 43.34 H new ATOM 0 HG12 VAL A 69 27.767 5.901 -4.864 1.00 43.34 H new ATOM 0 HG13 VAL A 69 26.686 5.649 -6.255 1.00 43.34 H new ATOM 0 HG21 VAL A 69 24.710 7.894 -5.494 1.00 51.01 H new ATOM 0 HG22 VAL A 69 24.201 6.266 -6.003 1.00 51.01 H new ATOM 0 HG23 VAL A 69 23.645 6.926 -4.447 1.00 51.01 H new ATOM 1072 N VAL A 70 27.217 3.313 -3.591 1.00 15.33 N ATOM 1073 CA VAL A 70 28.355 2.744 -2.880 1.00 20.40 C ATOM 1074 C VAL A 70 29.591 2.694 -3.772 1.00 13.25 C ATOM 1075 O VAL A 70 29.612 1.992 -4.781 1.00 41.04 O ATOM 1076 CB VAL A 70 28.045 1.323 -2.371 1.00 44.22 C ATOM 1077 CG1 VAL A 70 29.284 0.697 -1.749 1.00 21.11 C ATOM 1078 CG2 VAL A 70 26.896 1.353 -1.376 1.00 14.14 C ATOM 0 H VAL A 70 26.980 2.834 -4.460 1.00 15.33 H new ATOM 0 HA VAL A 70 28.552 3.393 -2.027 1.00 20.40 H new ATOM 0 HB VAL A 70 27.744 0.709 -3.220 1.00 44.22 H new ATOM 0 HG11 VAL A 70 29.046 -0.306 -1.395 1.00 21.11 H new ATOM 0 HG12 VAL A 70 30.077 0.640 -2.495 1.00 21.11 H new ATOM 0 HG13 VAL A 70 29.618 1.308 -0.910 1.00 21.11 H new ATOM 0 HG21 VAL A 70 26.691 0.341 -1.027 1.00 14.14 H new ATOM 0 HG22 VAL A 70 27.166 1.982 -0.528 1.00 14.14 H new ATOM 0 HG23 VAL A 70 26.007 1.758 -1.859 1.00 14.14 H new ATOM 1088 N ASN A 71 30.619 3.445 -3.390 1.00 61.23 N ATOM 1089 CA ASN A 71 31.860 3.487 -4.156 1.00 31.14 C ATOM 1090 C ASN A 71 33.042 3.039 -3.301 1.00 13.53 C ATOM 1091 O ASN A 71 33.460 3.745 -2.384 1.00 12.45 O ATOM 1092 CB ASN A 71 32.107 4.900 -4.688 1.00 63.33 C ATOM 1093 CG ASN A 71 30.919 5.444 -5.458 1.00 21.33 C ATOM 1094 OD1 ASN A 71 30.178 6.353 -4.836 1.00 22.11 O flip ATOM 1095 ND2 ASN A 71 30.671 5.051 -6.598 1.00 13.13 N flip ATOM 0 H ASN A 71 30.618 4.032 -2.556 1.00 61.23 H new ATOM 0 HA ASN A 71 31.763 2.801 -4.997 1.00 31.14 H new ATOM 0 HB2 ASN A 71 32.331 5.565 -3.854 1.00 63.33 H new ATOM 0 HB3 ASN A 71 32.984 4.893 -5.335 1.00 63.33 H new ATOM 0 HD21 ASN A 71 31.268 4.350 -7.037 1.00 13.13 H new ATOM 0 HD22 ASN A 71 29.868 5.426 -7.103 1.00 13.13 H new ATOM 1102 N ALA A 72 33.576 1.862 -3.609 1.00 12.21 N ATOM 1103 CA ALA A 72 34.711 1.322 -2.871 1.00 72.32 C ATOM 1104 C ALA A 72 35.978 2.123 -3.149 1.00 0.21 C ATOM 1105 O ALA A 72 36.812 2.311 -2.263 1.00 13.13 O ATOM 1106 CB ALA A 72 34.922 -0.143 -3.226 1.00 51.32 C ATOM 0 H ALA A 72 33.241 1.264 -4.364 1.00 12.21 H new ATOM 0 HA ALA A 72 34.490 1.399 -1.806 1.00 72.32 H new ATOM 0 HB1 ALA A 72 35.773 -0.534 -2.668 1.00 51.32 H new ATOM 0 HB2 ALA A 72 34.028 -0.712 -2.970 1.00 51.32 H new ATOM 0 HB3 ALA A 72 35.117 -0.234 -4.295 1.00 51.32 H new ATOM 1112 N ASP A 73 36.117 2.593 -4.384 1.00 33.32 N ATOM 1113 CA ASP A 73 37.283 3.375 -4.778 1.00 72.31 C ATOM 1114 C ASP A 73 37.400 4.639 -3.933 1.00 2.12 C ATOM 1115 O ASP A 73 38.500 5.059 -3.574 1.00 45.51 O ATOM 1116 CB ASP A 73 37.199 3.743 -6.260 1.00 41.02 C ATOM 1117 CG ASP A 73 37.946 5.022 -6.582 1.00 0.42 C ATOM 1118 OD1 ASP A 73 39.131 5.129 -6.202 1.00 72.32 O ATOM 1119 OD2 ASP A 73 37.346 5.918 -7.213 1.00 34.15 O ATOM 0 H ASP A 73 35.436 2.446 -5.129 1.00 33.32 H new ATOM 0 HA ASP A 73 38.172 2.766 -4.613 1.00 72.31 H new ATOM 0 HB2 ASP A 73 37.606 2.927 -6.858 1.00 41.02 H new ATOM 0 HB3 ASP A 73 36.153 3.855 -6.545 1.00 41.02 H new ATOM 1124 N LYS A 74 36.259 5.243 -3.618 1.00 71.53 N ATOM 1125 CA LYS A 74 36.232 6.459 -2.815 1.00 41.12 C ATOM 1126 C LYS A 74 36.030 6.132 -1.339 1.00 3.20 C ATOM 1127 O LYS A 74 36.193 6.993 -0.474 1.00 25.22 O ATOM 1128 CB LYS A 74 35.118 7.390 -3.299 1.00 71.12 C ATOM 1129 CG LYS A 74 35.405 8.033 -4.645 1.00 14.20 C ATOM 1130 CD LYS A 74 34.808 7.228 -5.787 1.00 33.54 C ATOM 1131 CE LYS A 74 34.897 7.979 -7.106 1.00 0.42 C ATOM 1132 NZ LYS A 74 34.377 7.170 -8.242 1.00 72.41 N ATOM 0 H LYS A 74 35.340 4.909 -3.907 1.00 71.53 H new ATOM 0 HA LYS A 74 37.192 6.961 -2.930 1.00 41.12 H new ATOM 0 HB2 LYS A 74 34.188 6.826 -3.366 1.00 71.12 H new ATOM 0 HB3 LYS A 74 34.963 8.173 -2.557 1.00 71.12 H new ATOM 0 HG2 LYS A 74 34.998 9.044 -4.660 1.00 14.20 H new ATOM 0 HG3 LYS A 74 36.482 8.121 -4.785 1.00 14.20 H new ATOM 0 HD2 LYS A 74 35.331 6.275 -5.874 1.00 33.54 H new ATOM 0 HD3 LYS A 74 33.765 7.000 -5.567 1.00 33.54 H new ATOM 0 HE2 LYS A 74 34.332 8.908 -7.033 1.00 0.42 H new ATOM 0 HE3 LYS A 74 35.935 8.251 -7.299 1.00 0.42 H new ATOM 0 HZ1 LYS A 74 34.455 7.718 -9.123 1.00 72.41 H new ATOM 0 HZ2 LYS A 74 34.932 6.295 -8.328 1.00 72.41 H new ATOM 0 HZ3 LYS A 74 33.379 6.931 -8.070 1.00 72.41 H new ATOM 1146 N LYS A 75 35.676 4.883 -1.057 1.00 52.04 N ATOM 1147 CA LYS A 75 35.454 4.441 0.314 1.00 24.32 C ATOM 1148 C LYS A 75 34.331 5.239 0.969 1.00 65.03 C ATOM 1149 O LYS A 75 34.422 5.613 2.139 1.00 43.02 O ATOM 1150 CB LYS A 75 36.740 4.584 1.132 1.00 60.01 C ATOM 1151 CG LYS A 75 37.712 3.432 0.944 1.00 50.01 C ATOM 1152 CD LYS A 75 39.147 3.867 1.191 1.00 52.12 C ATOM 1153 CE LYS A 75 40.131 3.016 0.403 1.00 32.32 C ATOM 1154 NZ LYS A 75 41.539 3.277 0.810 1.00 64.42 N ATOM 0 H LYS A 75 35.537 4.158 -1.761 1.00 52.04 H new ATOM 0 HA LYS A 75 35.162 3.391 0.288 1.00 24.32 H new ATOM 0 HB2 LYS A 75 37.235 5.515 0.855 1.00 60.01 H new ATOM 0 HB3 LYS A 75 36.482 4.662 2.188 1.00 60.01 H new ATOM 0 HG2 LYS A 75 37.454 2.622 1.626 1.00 50.01 H new ATOM 0 HG3 LYS A 75 37.619 3.038 -0.068 1.00 50.01 H new ATOM 0 HD2 LYS A 75 39.264 4.914 0.911 1.00 52.12 H new ATOM 0 HD3 LYS A 75 39.372 3.794 2.255 1.00 52.12 H new ATOM 0 HE2 LYS A 75 39.899 1.961 0.552 1.00 32.32 H new ATOM 0 HE3 LYS A 75 40.017 3.220 -0.662 1.00 32.32 H new ATOM 0 HZ1 LYS A 75 42.179 2.678 0.250 1.00 64.42 H new ATOM 0 HZ2 LYS A 75 41.768 4.278 0.645 1.00 64.42 H new ATOM 0 HZ3 LYS A 75 41.655 3.058 1.820 1.00 64.42 H new ATOM 1168 N LEU A 76 33.273 5.496 0.208 1.00 61.50 N ATOM 1169 CA LEU A 76 32.131 6.248 0.715 1.00 50.32 C ATOM 1170 C LEU A 76 30.820 5.655 0.210 1.00 71.53 C ATOM 1171 O LEU A 76 30.772 5.052 -0.862 1.00 44.24 O ATOM 1172 CB LEU A 76 32.235 7.715 0.295 1.00 50.55 C ATOM 1173 CG LEU A 76 32.930 7.983 -1.041 1.00 3.53 C ATOM 1174 CD1 LEU A 76 32.061 7.517 -2.198 1.00 64.32 C ATOM 1175 CD2 LEU A 76 33.261 9.462 -1.182 1.00 43.02 C ATOM 0 H LEU A 76 33.182 5.195 -0.762 1.00 61.50 H new ATOM 0 HA LEU A 76 32.141 6.186 1.803 1.00 50.32 H new ATOM 0 HB2 LEU A 76 31.229 8.131 0.248 1.00 50.55 H new ATOM 0 HB3 LEU A 76 32.769 8.259 1.075 1.00 50.55 H new ATOM 0 HG LEU A 76 33.862 7.418 -1.064 1.00 3.53 H new ATOM 0 HD11 LEU A 76 32.572 7.716 -3.140 1.00 64.32 H new ATOM 0 HD12 LEU A 76 31.875 6.447 -2.105 1.00 64.32 H new ATOM 0 HD13 LEU A 76 31.112 8.053 -2.180 1.00 64.32 H new ATOM 0 HD21 LEU A 76 33.755 9.635 -2.138 1.00 43.02 H new ATOM 0 HD22 LEU A 76 32.342 10.046 -1.138 1.00 43.02 H new ATOM 0 HD23 LEU A 76 33.923 9.765 -0.371 1.00 43.02 H new ATOM 1187 N MET A 77 29.758 5.831 0.989 1.00 74.34 N ATOM 1188 CA MET A 77 28.445 5.315 0.618 1.00 72.01 C ATOM 1189 C MET A 77 27.340 6.265 1.069 1.00 2.24 C ATOM 1190 O MET A 77 27.277 6.648 2.237 1.00 1.35 O ATOM 1191 CB MET A 77 28.225 3.931 1.231 1.00 22.23 C ATOM 1192 CG MET A 77 29.422 3.005 1.087 1.00 42.13 C ATOM 1193 SD MET A 77 29.045 1.304 1.551 1.00 52.14 S ATOM 1194 CE MET A 77 30.619 0.510 1.234 1.00 75.32 C ATOM 0 H MET A 77 29.780 6.326 1.880 1.00 74.34 H new ATOM 0 HA MET A 77 28.409 5.233 -0.468 1.00 72.01 H new ATOM 0 HB2 MET A 77 27.989 4.045 2.289 1.00 22.23 H new ATOM 0 HB3 MET A 77 27.359 3.467 0.759 1.00 22.23 H new ATOM 0 HG2 MET A 77 29.771 3.027 0.055 1.00 42.13 H new ATOM 0 HG3 MET A 77 30.239 3.374 1.707 1.00 42.13 H new ATOM 0 HE1 MET A 77 30.459 -0.391 0.641 1.00 75.32 H new ATOM 0 HE2 MET A 77 31.268 1.194 0.687 1.00 75.32 H new ATOM 0 HE3 MET A 77 31.089 0.243 2.181 1.00 75.32 H new ATOM 1204 N SER A 78 26.472 6.642 0.136 1.00 33.23 N ATOM 1205 CA SER A 78 25.372 7.551 0.438 1.00 71.31 C ATOM 1206 C SER A 78 24.030 6.914 0.089 1.00 10.12 C ATOM 1207 O SER A 78 23.883 6.282 -0.957 1.00 33.22 O ATOM 1208 CB SER A 78 25.542 8.863 -0.330 1.00 33.00 C ATOM 1209 OG SER A 78 26.904 9.248 -0.387 1.00 63.21 O ATOM 0 H SER A 78 26.509 6.332 -0.835 1.00 33.23 H new ATOM 0 HA SER A 78 25.388 7.760 1.508 1.00 71.31 H new ATOM 0 HB2 SER A 78 25.150 8.750 -1.341 1.00 33.00 H new ATOM 0 HB3 SER A 78 24.959 9.648 0.152 1.00 33.00 H new ATOM 0 HG SER A 78 26.986 10.088 -0.884 1.00 63.21 H new ATOM 1215 N VAL A 79 23.053 7.086 0.974 1.00 51.11 N ATOM 1216 CA VAL A 79 21.722 6.530 0.761 1.00 50.12 C ATOM 1217 C VAL A 79 20.676 7.634 0.655 1.00 72.11 C ATOM 1218 O VAL A 79 20.484 8.413 1.588 1.00 2.32 O ATOM 1219 CB VAL A 79 21.326 5.570 1.898 1.00 20.02 C ATOM 1220 CG1 VAL A 79 19.966 4.947 1.622 1.00 11.34 C ATOM 1221 CG2 VAL A 79 22.387 4.495 2.081 1.00 73.12 C ATOM 0 H VAL A 79 23.158 7.606 1.845 1.00 51.11 H new ATOM 0 HA VAL A 79 21.757 5.975 -0.177 1.00 50.12 H new ATOM 0 HB VAL A 79 21.256 6.141 2.824 1.00 20.02 H new ATOM 0 HG11 VAL A 79 19.703 4.272 2.436 1.00 11.34 H new ATOM 0 HG12 VAL A 79 19.215 5.733 1.545 1.00 11.34 H new ATOM 0 HG13 VAL A 79 20.004 4.389 0.686 1.00 11.34 H new ATOM 0 HG21 VAL A 79 22.091 3.825 2.888 1.00 73.12 H new ATOM 0 HG22 VAL A 79 22.491 3.926 1.157 1.00 73.12 H new ATOM 0 HG23 VAL A 79 23.340 4.963 2.328 1.00 73.12 H new ATOM 1231 N SER A 80 20.001 7.694 -0.488 1.00 54.14 N ATOM 1232 CA SER A 80 18.975 8.705 -0.718 1.00 60.03 C ATOM 1233 C SER A 80 17.604 8.058 -0.890 1.00 12.53 C ATOM 1234 O SER A 80 17.386 7.273 -1.812 1.00 60.13 O ATOM 1235 CB SER A 80 19.317 9.537 -1.956 1.00 5.15 C ATOM 1236 OG SER A 80 18.149 10.088 -2.539 1.00 4.12 O ATOM 0 H SER A 80 20.146 7.055 -1.269 1.00 54.14 H new ATOM 0 HA SER A 80 18.943 9.359 0.153 1.00 60.03 H new ATOM 0 HB2 SER A 80 20.003 10.338 -1.681 1.00 5.15 H new ATOM 0 HB3 SER A 80 19.832 8.913 -2.686 1.00 5.15 H new ATOM 0 HG SER A 80 18.119 9.858 -3.491 1.00 4.12 H new ATOM 1242 N PHE A 81 16.682 8.395 0.006 1.00 12.02 N ATOM 1243 CA PHE A 81 15.331 7.847 -0.044 1.00 2.40 C ATOM 1244 C PHE A 81 14.294 8.930 0.241 1.00 44.10 C ATOM 1245 O PHE A 81 14.567 9.892 0.959 1.00 32.23 O ATOM 1246 CB PHE A 81 15.183 6.706 0.964 1.00 62.20 C ATOM 1247 CG PHE A 81 15.790 7.007 2.305 1.00 54.44 C ATOM 1248 CD1 PHE A 81 15.245 7.985 3.122 1.00 61.30 C ATOM 1249 CD2 PHE A 81 16.904 6.314 2.747 1.00 25.22 C ATOM 1250 CE1 PHE A 81 15.800 8.264 4.356 1.00 5.55 C ATOM 1251 CE2 PHE A 81 17.464 6.589 3.981 1.00 72.13 C ATOM 1252 CZ PHE A 81 16.912 7.566 4.786 1.00 50.22 C ATOM 0 H PHE A 81 16.845 9.045 0.775 1.00 12.02 H new ATOM 0 HA PHE A 81 15.160 7.460 -1.048 1.00 2.40 H new ATOM 0 HB2 PHE A 81 14.124 6.483 1.095 1.00 62.20 H new ATOM 0 HB3 PHE A 81 15.649 5.809 0.556 1.00 62.20 H new ATOM 0 HD1 PHE A 81 14.377 8.535 2.790 1.00 61.30 H new ATOM 0 HD2 PHE A 81 17.341 5.550 2.121 1.00 25.22 H new ATOM 0 HE1 PHE A 81 15.365 9.027 4.984 1.00 5.55 H new ATOM 0 HE2 PHE A 81 18.332 6.040 4.315 1.00 72.13 H new ATOM 0 HZ PHE A 81 17.349 7.784 5.749 1.00 50.22 H new ATOM 1262 N SER A 82 13.105 8.766 -0.328 1.00 55.02 N ATOM 1263 CA SER A 82 12.027 9.731 -0.140 1.00 24.23 C ATOM 1264 C SER A 82 11.150 9.341 1.046 1.00 4.03 C ATOM 1265 O SER A 82 11.297 8.257 1.611 1.00 20.01 O ATOM 1266 CB SER A 82 11.176 9.831 -1.407 1.00 22.30 C ATOM 1267 OG SER A 82 10.174 8.829 -1.429 1.00 22.14 O ATOM 0 H SER A 82 12.863 7.974 -0.923 1.00 55.02 H new ATOM 0 HA SER A 82 12.475 10.703 0.065 1.00 24.23 H new ATOM 0 HB2 SER A 82 10.711 10.816 -1.460 1.00 22.30 H new ATOM 0 HB3 SER A 82 11.813 9.732 -2.286 1.00 22.30 H new ATOM 0 HG SER A 82 9.643 8.916 -2.248 1.00 22.14 H new ATOM 1273 N ASP A 83 10.239 10.233 1.418 1.00 73.12 N ATOM 1274 CA ASP A 83 9.336 9.983 2.536 1.00 42.41 C ATOM 1275 C ASP A 83 9.041 8.493 2.674 1.00 53.15 C ATOM 1276 O ASP A 83 8.206 7.947 1.951 1.00 24.43 O ATOM 1277 CB ASP A 83 8.032 10.760 2.349 1.00 74.50 C ATOM 1278 CG ASP A 83 8.267 12.236 2.100 1.00 42.32 C ATOM 1279 OD1 ASP A 83 8.918 12.885 2.946 1.00 34.12 O ATOM 1280 OD2 ASP A 83 7.802 12.743 1.058 1.00 51.31 O ATOM 0 H ASP A 83 10.106 11.136 0.962 1.00 73.12 H new ATOM 0 HA ASP A 83 9.824 10.323 3.449 1.00 42.41 H new ATOM 0 HB2 ASP A 83 7.478 10.337 1.511 1.00 74.50 H new ATOM 0 HB3 ASP A 83 7.410 10.639 3.236 1.00 74.50 H new ATOM 1285 N ILE A 84 9.731 7.842 3.604 1.00 75.11 N ATOM 1286 CA ILE A 84 9.542 6.415 3.836 1.00 53.34 C ATOM 1287 C ILE A 84 9.190 6.137 5.293 1.00 31.10 C ATOM 1288 O ILE A 84 9.352 6.999 6.157 1.00 71.10 O ATOM 1289 CB ILE A 84 10.801 5.612 3.461 1.00 44.41 C ATOM 1290 CG1 ILE A 84 12.048 6.271 4.055 1.00 0.03 C ATOM 1291 CG2 ILE A 84 10.926 5.498 1.949 1.00 61.20 C ATOM 1292 CD1 ILE A 84 13.163 5.294 4.354 1.00 65.01 C ATOM 0 H ILE A 84 10.426 8.280 4.209 1.00 75.11 H new ATOM 0 HA ILE A 84 8.716 6.098 3.199 1.00 53.34 H new ATOM 0 HB ILE A 84 10.710 4.608 3.875 1.00 44.41 H new ATOM 0 HG12 ILE A 84 12.415 7.027 3.361 1.00 0.03 H new ATOM 0 HG13 ILE A 84 11.773 6.788 4.974 1.00 0.03 H new ATOM 0 HG21 ILE A 84 11.821 4.928 1.700 1.00 61.20 H new ATOM 0 HG22 ILE A 84 10.049 4.990 1.549 1.00 61.20 H new ATOM 0 HG23 ILE A 84 10.998 6.495 1.514 1.00 61.20 H new ATOM 0 HD11 ILE A 84 14.015 5.831 4.772 1.00 65.01 H new ATOM 0 HD12 ILE A 84 12.814 4.552 5.072 1.00 65.01 H new ATOM 0 HD13 ILE A 84 13.466 4.795 3.434 1.00 65.01 H new ATOM 1304 N ASP A 85 8.710 4.927 5.559 1.00 15.31 N ATOM 1305 CA ASP A 85 8.337 4.533 6.913 1.00 44.20 C ATOM 1306 C ASP A 85 9.573 4.183 7.736 1.00 2.32 C ATOM 1307 O ASP A 85 10.616 3.829 7.187 1.00 11.31 O ATOM 1308 CB ASP A 85 7.380 3.341 6.875 1.00 22.11 C ATOM 1309 CG ASP A 85 6.125 3.631 6.075 1.00 4.13 C ATOM 1310 OD1 ASP A 85 5.700 4.805 6.043 1.00 12.04 O ATOM 1311 OD2 ASP A 85 5.569 2.685 5.481 1.00 63.55 O ATOM 0 H ASP A 85 8.570 4.202 4.855 1.00 15.31 H new ATOM 0 HA ASP A 85 7.834 5.377 7.385 1.00 44.20 H new ATOM 0 HB2 ASP A 85 7.892 2.481 6.443 1.00 22.11 H new ATOM 0 HB3 ASP A 85 7.103 3.068 7.893 1.00 22.11 H new ATOM 1316 N GLU A 86 9.448 4.286 9.056 1.00 52.34 N ATOM 1317 CA GLU A 86 10.556 3.982 9.954 1.00 52.34 C ATOM 1318 C GLU A 86 10.862 2.487 9.953 1.00 12.35 C ATOM 1319 O GLU A 86 11.982 2.072 10.248 1.00 52.40 O ATOM 1320 CB GLU A 86 10.232 4.448 11.375 1.00 70.32 C ATOM 1321 CG GLU A 86 9.165 3.612 12.061 1.00 72.53 C ATOM 1322 CD GLU A 86 8.521 4.332 13.230 1.00 61.24 C ATOM 1323 OE1 GLU A 86 8.704 5.562 13.343 1.00 62.30 O ATOM 1324 OE2 GLU A 86 7.834 3.665 14.031 1.00 74.41 O ATOM 0 H GLU A 86 8.591 4.577 9.527 1.00 52.34 H new ATOM 0 HA GLU A 86 11.437 4.515 9.597 1.00 52.34 H new ATOM 0 HB2 GLU A 86 11.143 4.422 11.973 1.00 70.32 H new ATOM 0 HB3 GLU A 86 9.902 5.486 11.342 1.00 70.32 H new ATOM 0 HG2 GLU A 86 8.396 3.345 11.336 1.00 72.53 H new ATOM 0 HG3 GLU A 86 9.609 2.681 12.413 1.00 72.53 H new ATOM 1331 N ASN A 87 9.857 1.684 9.621 1.00 34.43 N ATOM 1332 CA ASN A 87 10.017 0.235 9.584 1.00 61.42 C ATOM 1333 C ASN A 87 11.123 -0.165 8.612 1.00 22.31 C ATOM 1334 O ASN A 87 12.014 -0.942 8.955 1.00 34.44 O ATOM 1335 CB ASN A 87 8.702 -0.435 9.180 1.00 12.22 C ATOM 1336 CG ASN A 87 7.537 0.012 10.043 1.00 23.51 C ATOM 1337 OD1 ASN A 87 6.732 0.929 9.521 1.00 1.35 O flip ATOM 1338 ND2 ASN A 87 7.364 -0.464 11.165 1.00 0.52 N flip ATOM 0 H ASN A 87 8.923 2.012 9.374 1.00 34.43 H new ATOM 0 HA ASN A 87 10.296 -0.100 10.583 1.00 61.42 H new ATOM 0 HB2 ASN A 87 8.486 -0.206 8.136 1.00 12.22 H new ATOM 0 HB3 ASN A 87 8.811 -1.517 9.253 1.00 12.22 H new ATOM 0 HD21 ASN A 87 8.009 -1.167 11.526 1.00 0.52 H new ATOM 0 HD22 ASN A 87 6.576 -0.155 11.734 1.00 0.52 H new ATOM 1345 N MET A 88 11.060 0.372 7.398 1.00 33.02 N ATOM 1346 CA MET A 88 12.057 0.073 6.377 1.00 21.43 C ATOM 1347 C MET A 88 13.345 0.850 6.631 1.00 71.12 C ATOM 1348 O MET A 88 14.440 0.370 6.338 1.00 61.23 O ATOM 1349 CB MET A 88 11.511 0.406 4.988 1.00 45.15 C ATOM 1350 CG MET A 88 11.061 1.851 4.842 1.00 23.30 C ATOM 1351 SD MET A 88 9.660 2.032 3.722 1.00 43.14 S ATOM 1352 CE MET A 88 10.296 1.230 2.252 1.00 70.41 C ATOM 0 H MET A 88 10.329 1.017 7.097 1.00 33.02 H new ATOM 0 HA MET A 88 12.282 -0.993 6.425 1.00 21.43 H new ATOM 0 HB2 MET A 88 12.280 0.197 4.245 1.00 45.15 H new ATOM 0 HB3 MET A 88 10.670 -0.252 4.770 1.00 45.15 H new ATOM 0 HG2 MET A 88 10.791 2.244 5.822 1.00 23.30 H new ATOM 0 HG3 MET A 88 11.894 2.452 4.476 1.00 23.30 H new ATOM 0 HE1 MET A 88 9.528 0.582 1.830 1.00 70.41 H new ATOM 0 HE2 MET A 88 10.578 1.985 1.518 1.00 70.41 H new ATOM 0 HE3 MET A 88 11.170 0.633 2.512 1.00 70.41 H new ATOM 1362 N LYS A 89 13.207 2.053 7.177 1.00 55.21 N ATOM 1363 CA LYS A 89 14.358 2.897 7.471 1.00 3.51 C ATOM 1364 C LYS A 89 15.407 2.129 8.269 1.00 71.33 C ATOM 1365 O LYS A 89 16.608 2.287 8.049 1.00 20.24 O ATOM 1366 CB LYS A 89 13.920 4.140 8.249 1.00 2.24 C ATOM 1367 CG LYS A 89 14.838 5.335 8.054 1.00 34.13 C ATOM 1368 CD LYS A 89 14.137 6.638 8.400 1.00 2.20 C ATOM 1369 CE LYS A 89 15.135 7.760 8.642 1.00 3.20 C ATOM 1370 NZ LYS A 89 15.858 7.591 9.933 1.00 64.53 N ATOM 0 H LYS A 89 12.308 2.466 7.425 1.00 55.21 H new ATOM 0 HA LYS A 89 14.801 3.206 6.524 1.00 3.51 H new ATOM 0 HB2 LYS A 89 12.911 4.414 7.941 1.00 2.24 H new ATOM 0 HB3 LYS A 89 13.875 3.897 9.311 1.00 2.24 H new ATOM 0 HG2 LYS A 89 15.724 5.220 8.679 1.00 34.13 H new ATOM 0 HG3 LYS A 89 15.179 5.368 7.019 1.00 34.13 H new ATOM 0 HD2 LYS A 89 13.464 6.917 7.589 1.00 2.20 H new ATOM 0 HD3 LYS A 89 13.523 6.497 9.290 1.00 2.20 H new ATOM 0 HE2 LYS A 89 15.855 7.788 7.824 1.00 3.20 H new ATOM 0 HE3 LYS A 89 14.613 8.717 8.641 1.00 3.20 H new ATOM 0 HZ1 LYS A 89 16.318 8.487 10.193 1.00 64.53 H new ATOM 0 HZ2 LYS A 89 15.183 7.319 10.676 1.00 64.53 H new ATOM 0 HZ3 LYS A 89 16.579 6.848 9.832 1.00 64.53 H new ATOM 1384 N LYS A 90 14.945 1.295 9.194 1.00 23.43 N ATOM 1385 CA LYS A 90 15.842 0.498 10.023 1.00 4.42 C ATOM 1386 C LYS A 90 16.731 -0.393 9.162 1.00 70.51 C ATOM 1387 O LYS A 90 17.908 -0.591 9.464 1.00 70.22 O ATOM 1388 CB LYS A 90 15.038 -0.359 11.003 1.00 3.13 C ATOM 1389 CG LYS A 90 14.409 -1.585 10.364 1.00 13.53 C ATOM 1390 CD LYS A 90 15.329 -2.791 10.445 1.00 2.35 C ATOM 1391 CE LYS A 90 14.547 -4.074 10.677 1.00 72.41 C ATOM 1392 NZ LYS A 90 15.403 -5.150 11.250 1.00 15.22 N ATOM 0 H LYS A 90 13.954 1.153 9.389 1.00 23.43 H new ATOM 0 HA LYS A 90 16.479 1.181 10.586 1.00 4.42 H new ATOM 0 HB2 LYS A 90 15.692 -0.678 11.815 1.00 3.13 H new ATOM 0 HB3 LYS A 90 14.253 0.252 11.447 1.00 3.13 H new ATOM 0 HG2 LYS A 90 13.466 -1.812 10.861 1.00 13.53 H new ATOM 0 HG3 LYS A 90 14.176 -1.373 9.320 1.00 13.53 H new ATOM 0 HD2 LYS A 90 15.902 -2.875 9.522 1.00 2.35 H new ATOM 0 HD3 LYS A 90 16.046 -2.649 11.254 1.00 2.35 H new ATOM 0 HE2 LYS A 90 13.714 -3.875 11.351 1.00 72.41 H new ATOM 0 HE3 LYS A 90 14.119 -4.414 9.734 1.00 72.41 H new ATOM 0 HZ1 LYS A 90 14.833 -6.008 11.393 1.00 15.22 H new ATOM 0 HZ2 LYS A 90 16.184 -5.358 10.595 1.00 15.22 H new ATOM 0 HZ3 LYS A 90 15.791 -4.836 12.162 1.00 15.22 H new ATOM 1406 N VAL A 91 16.160 -0.929 8.087 1.00 3.23 N ATOM 1407 CA VAL A 91 16.901 -1.797 7.181 1.00 64.52 C ATOM 1408 C VAL A 91 17.900 -1.000 6.349 1.00 31.12 C ATOM 1409 O VAL A 91 19.001 -1.471 6.063 1.00 20.42 O ATOM 1410 CB VAL A 91 15.955 -2.560 6.234 1.00 12.44 C ATOM 1411 CG1 VAL A 91 14.584 -2.728 6.872 1.00 41.01 C ATOM 1412 CG2 VAL A 91 15.846 -1.841 4.898 1.00 11.22 C ATOM 0 H VAL A 91 15.187 -0.777 7.823 1.00 3.23 H new ATOM 0 HA VAL A 91 17.439 -2.514 7.801 1.00 64.52 H new ATOM 0 HB VAL A 91 16.370 -3.552 6.054 1.00 12.44 H new ATOM 0 HG11 VAL A 91 13.929 -3.269 6.189 1.00 41.01 H new ATOM 0 HG12 VAL A 91 14.682 -3.288 7.802 1.00 41.01 H new ATOM 0 HG13 VAL A 91 14.158 -1.747 7.083 1.00 41.01 H new ATOM 0 HG21 VAL A 91 15.174 -2.393 4.241 1.00 11.22 H new ATOM 0 HG22 VAL A 91 15.454 -0.836 5.056 1.00 11.22 H new ATOM 0 HG23 VAL A 91 16.832 -1.777 4.438 1.00 11.22 H new ATOM 1422 N ILE A 92 17.508 0.210 5.965 1.00 63.13 N ATOM 1423 CA ILE A 92 18.370 1.074 5.167 1.00 30.42 C ATOM 1424 C ILE A 92 19.580 1.537 5.972 1.00 53.25 C ATOM 1425 O ILE A 92 20.715 1.470 5.501 1.00 44.23 O ATOM 1426 CB ILE A 92 17.607 2.308 4.651 1.00 3.10 C ATOM 1427 CG1 ILE A 92 16.207 1.909 4.179 1.00 5.22 C ATOM 1428 CG2 ILE A 92 18.381 2.976 3.525 1.00 44.24 C ATOM 1429 CD1 ILE A 92 15.501 2.995 3.399 1.00 54.31 C ATOM 0 H ILE A 92 16.600 0.614 6.193 1.00 63.13 H new ATOM 0 HA ILE A 92 18.708 0.484 4.315 1.00 30.42 H new ATOM 0 HB ILE A 92 17.504 3.022 5.469 1.00 3.10 H new ATOM 0 HG12 ILE A 92 16.282 1.017 3.557 1.00 5.22 H new ATOM 0 HG13 ILE A 92 15.602 1.643 5.046 1.00 5.22 H new ATOM 0 HG21 ILE A 92 17.829 3.847 3.171 1.00 44.24 H new ATOM 0 HG22 ILE A 92 19.358 3.290 3.892 1.00 44.24 H new ATOM 0 HG23 ILE A 92 18.511 2.270 2.704 1.00 44.24 H new ATOM 0 HD11 ILE A 92 14.515 2.643 3.096 1.00 54.31 H new ATOM 0 HD12 ILE A 92 15.394 3.881 4.025 1.00 54.31 H new ATOM 0 HD13 ILE A 92 16.085 3.245 2.513 1.00 54.31 H new ATOM 1441 N LYS A 93 19.329 2.006 7.189 1.00 2.22 N ATOM 1442 CA LYS A 93 20.397 2.478 8.062 1.00 1.54 C ATOM 1443 C LYS A 93 21.322 1.333 8.459 1.00 65.40 C ATOM 1444 O LYS A 93 22.544 1.485 8.473 1.00 75.10 O ATOM 1445 CB LYS A 93 19.808 3.130 9.316 1.00 64.21 C ATOM 1446 CG LYS A 93 20.832 3.884 10.147 1.00 13.20 C ATOM 1447 CD LYS A 93 21.439 2.999 11.222 1.00 33.14 C ATOM 1448 CE LYS A 93 21.923 3.817 12.410 1.00 62.32 C ATOM 1449 NZ LYS A 93 21.844 3.047 13.682 1.00 2.34 N ATOM 0 H LYS A 93 18.395 2.069 7.594 1.00 2.22 H new ATOM 0 HA LYS A 93 20.979 3.218 7.514 1.00 1.54 H new ATOM 0 HB2 LYS A 93 19.015 3.817 9.020 1.00 64.21 H new ATOM 0 HB3 LYS A 93 19.347 2.359 9.934 1.00 64.21 H new ATOM 0 HG2 LYS A 93 21.621 4.262 9.498 1.00 13.20 H new ATOM 0 HG3 LYS A 93 20.359 4.749 10.611 1.00 13.20 H new ATOM 0 HD2 LYS A 93 20.699 2.272 11.557 1.00 33.14 H new ATOM 0 HD3 LYS A 93 22.273 2.436 10.803 1.00 33.14 H new ATOM 0 HE2 LYS A 93 22.953 4.132 12.239 1.00 62.32 H new ATOM 0 HE3 LYS A 93 21.323 4.723 12.496 1.00 62.32 H new ATOM 0 HZ1 LYS A 93 22.182 3.639 14.468 1.00 2.34 H new ATOM 0 HZ2 LYS A 93 20.858 2.768 13.858 1.00 2.34 H new ATOM 0 HZ3 LYS A 93 22.437 2.195 13.610 1.00 2.34 H new ATOM 1463 N ALA A 94 20.733 0.185 8.779 1.00 13.52 N ATOM 1464 CA ALA A 94 21.505 -0.987 9.172 1.00 13.23 C ATOM 1465 C ALA A 94 22.395 -1.466 8.031 1.00 43.42 C ATOM 1466 O ALA A 94 23.518 -1.921 8.254 1.00 52.24 O ATOM 1467 CB ALA A 94 20.575 -2.104 9.623 1.00 4.24 C ATOM 0 H ALA A 94 19.723 0.042 8.774 1.00 13.52 H new ATOM 0 HA ALA A 94 22.148 -0.705 10.006 1.00 13.23 H new ATOM 0 HB1 ALA A 94 21.165 -2.973 9.914 1.00 4.24 H new ATOM 0 HB2 ALA A 94 19.985 -1.765 10.474 1.00 4.24 H new ATOM 0 HB3 ALA A 94 19.908 -2.375 8.804 1.00 4.24 H new ATOM 1473 N THR A 95 21.888 -1.361 6.806 1.00 0.24 N ATOM 1474 CA THR A 95 22.637 -1.785 5.630 1.00 14.21 C ATOM 1475 C THR A 95 23.829 -0.870 5.378 1.00 43.50 C ATOM 1476 O THR A 95 24.942 -1.337 5.136 1.00 52.50 O ATOM 1477 CB THR A 95 21.745 -1.805 4.374 1.00 21.21 C ATOM 1478 OG1 THR A 95 20.725 -2.801 4.513 1.00 1.54 O ATOM 1479 CG2 THR A 95 22.571 -2.089 3.129 1.00 62.33 C ATOM 0 H THR A 95 20.961 -0.986 6.603 1.00 0.24 H new ATOM 0 HA THR A 95 22.994 -2.795 5.830 1.00 14.21 H new ATOM 0 HB THR A 95 21.282 -0.824 4.268 1.00 21.21 H new ATOM 0 HG1 THR A 95 21.116 -3.690 4.385 1.00 1.54 H new ATOM 0 HG21 THR A 95 21.920 -2.098 2.255 1.00 62.33 H new ATOM 0 HG22 THR A 95 23.328 -1.314 3.010 1.00 62.33 H new ATOM 0 HG23 THR A 95 23.058 -3.059 3.229 1.00 62.33 H new ATOM 1487 N ALA A 96 23.590 0.436 5.437 1.00 51.40 N ATOM 1488 CA ALA A 96 24.646 1.417 5.218 1.00 53.23 C ATOM 1489 C ALA A 96 25.672 1.380 6.345 1.00 41.22 C ATOM 1490 O ALA A 96 26.877 1.345 6.098 1.00 50.33 O ATOM 1491 CB ALA A 96 24.052 2.812 5.088 1.00 74.12 C ATOM 0 H ALA A 96 22.674 0.839 5.635 1.00 51.40 H new ATOM 0 HA ALA A 96 25.156 1.163 4.289 1.00 53.23 H new ATOM 0 HB1 ALA A 96 24.852 3.534 4.925 1.00 74.12 H new ATOM 0 HB2 ALA A 96 23.363 2.837 4.244 1.00 74.12 H new ATOM 0 HB3 ALA A 96 23.515 3.066 6.002 1.00 74.12 H new ATOM 1497 N GLU A 97 25.186 1.389 7.582 1.00 22.22 N ATOM 1498 CA GLU A 97 26.063 1.358 8.747 1.00 61.22 C ATOM 1499 C GLU A 97 26.856 0.055 8.796 1.00 44.10 C ATOM 1500 O GLU A 97 28.007 0.031 9.233 1.00 1.33 O ATOM 1501 CB GLU A 97 25.248 1.520 10.031 1.00 12.04 C ATOM 1502 CG GLU A 97 24.492 0.265 10.435 1.00 11.31 C ATOM 1503 CD GLU A 97 25.340 -0.689 11.253 1.00 1.23 C ATOM 1504 OE1 GLU A 97 26.266 -0.216 11.945 1.00 63.42 O ATOM 1505 OE2 GLU A 97 25.077 -1.909 11.202 1.00 12.30 O ATOM 0 H GLU A 97 24.191 1.417 7.803 1.00 22.22 H new ATOM 0 HA GLU A 97 26.765 2.188 8.664 1.00 61.22 H new ATOM 0 HB2 GLU A 97 25.917 1.808 10.842 1.00 12.04 H new ATOM 0 HB3 GLU A 97 24.537 2.336 9.900 1.00 12.04 H new ATOM 0 HG2 GLU A 97 23.610 0.546 11.011 1.00 11.31 H new ATOM 0 HG3 GLU A 97 24.138 -0.246 9.539 1.00 11.31 H new ATOM 1512 N LYS A 98 26.233 -1.028 8.345 1.00 53.23 N ATOM 1513 CA LYS A 98 26.878 -2.335 8.336 1.00 62.25 C ATOM 1514 C LYS A 98 28.172 -2.297 7.529 1.00 61.43 C ATOM 1515 O LYS A 98 29.169 -2.913 7.907 1.00 43.23 O ATOM 1516 CB LYS A 98 25.933 -3.389 7.755 1.00 61.42 C ATOM 1517 CG LYS A 98 26.606 -4.723 7.479 1.00 74.14 C ATOM 1518 CD LYS A 98 27.107 -5.370 8.759 1.00 65.14 C ATOM 1519 CE LYS A 98 26.007 -6.157 9.454 1.00 62.01 C ATOM 1520 NZ LYS A 98 26.332 -6.420 10.883 1.00 12.13 N ATOM 0 H LYS A 98 25.280 -1.026 7.980 1.00 53.23 H new ATOM 0 HA LYS A 98 27.120 -2.601 9.365 1.00 62.25 H new ATOM 0 HB2 LYS A 98 25.106 -3.545 8.448 1.00 61.42 H new ATOM 0 HB3 LYS A 98 25.504 -3.009 6.828 1.00 61.42 H new ATOM 0 HG2 LYS A 98 25.902 -5.391 6.984 1.00 74.14 H new ATOM 0 HG3 LYS A 98 27.441 -4.576 6.794 1.00 74.14 H new ATOM 0 HD2 LYS A 98 27.941 -6.033 8.530 1.00 65.14 H new ATOM 0 HD3 LYS A 98 27.486 -4.601 9.432 1.00 65.14 H new ATOM 0 HE2 LYS A 98 25.069 -5.605 9.390 1.00 62.01 H new ATOM 0 HE3 LYS A 98 25.855 -7.104 8.936 1.00 62.01 H new ATOM 0 HZ1 LYS A 98 25.558 -6.959 11.322 1.00 12.13 H new ATOM 0 HZ2 LYS A 98 27.213 -6.969 10.943 1.00 12.13 H new ATOM 0 HZ3 LYS A 98 26.452 -5.516 11.384 1.00 12.13 H new ATOM 1534 N PHE A 99 28.150 -1.570 6.417 1.00 74.45 N ATOM 1535 CA PHE A 99 29.321 -1.452 5.557 1.00 64.13 C ATOM 1536 C PHE A 99 30.464 -0.753 6.288 1.00 61.43 C ATOM 1537 O PHE A 99 31.637 -1.051 6.059 1.00 12.24 O ATOM 1538 CB PHE A 99 28.970 -0.682 4.282 1.00 15.34 C ATOM 1539 CG PHE A 99 28.490 -1.561 3.163 1.00 34.24 C ATOM 1540 CD1 PHE A 99 29.338 -2.488 2.581 1.00 65.44 C ATOM 1541 CD2 PHE A 99 27.190 -1.461 2.695 1.00 74.23 C ATOM 1542 CE1 PHE A 99 28.900 -3.298 1.550 1.00 35.33 C ATOM 1543 CE2 PHE A 99 26.745 -2.269 1.665 1.00 51.32 C ATOM 1544 CZ PHE A 99 27.601 -3.189 1.093 1.00 71.23 C ATOM 0 H PHE A 99 27.333 -1.053 6.090 1.00 74.45 H new ATOM 0 HA PHE A 99 29.645 -2.457 5.288 1.00 64.13 H new ATOM 0 HB2 PHE A 99 28.199 0.053 4.512 1.00 15.34 H new ATOM 0 HB3 PHE A 99 29.848 -0.129 3.948 1.00 15.34 H new ATOM 0 HD1 PHE A 99 30.354 -2.579 2.937 1.00 65.44 H new ATOM 0 HD2 PHE A 99 26.516 -0.744 3.140 1.00 74.23 H new ATOM 0 HE1 PHE A 99 29.572 -4.015 1.102 1.00 35.33 H new ATOM 0 HE2 PHE A 99 25.729 -2.181 1.308 1.00 51.32 H new ATOM 0 HZ PHE A 99 27.255 -3.822 0.289 1.00 71.23 H new ATOM 1554 N LYS A 100 30.113 0.178 7.168 1.00 44.22 N ATOM 1555 CA LYS A 100 31.107 0.920 7.934 1.00 4.41 C ATOM 1556 C LYS A 100 31.933 -0.019 8.808 1.00 14.53 C ATOM 1557 O LYS A 100 33.095 0.255 9.104 1.00 50.12 O ATOM 1558 CB LYS A 100 30.425 1.977 8.805 1.00 13.24 C ATOM 1559 CG LYS A 100 31.398 2.837 9.593 1.00 31.14 C ATOM 1560 CD LYS A 100 30.750 4.131 10.056 1.00 20.05 C ATOM 1561 CE LYS A 100 30.961 5.251 9.050 1.00 42.43 C ATOM 1562 NZ LYS A 100 30.526 6.570 9.588 1.00 73.12 N ATOM 0 H LYS A 100 29.147 0.437 7.369 1.00 44.22 H new ATOM 0 HA LYS A 100 31.776 1.415 7.230 1.00 4.41 H new ATOM 0 HB2 LYS A 100 29.816 2.621 8.170 1.00 13.24 H new ATOM 0 HB3 LYS A 100 29.747 1.481 9.500 1.00 13.24 H new ATOM 0 HG2 LYS A 100 31.759 2.280 10.458 1.00 31.14 H new ATOM 0 HG3 LYS A 100 32.267 3.065 8.975 1.00 31.14 H new ATOM 0 HD2 LYS A 100 29.682 3.971 10.205 1.00 20.05 H new ATOM 0 HD3 LYS A 100 31.167 4.423 11.020 1.00 20.05 H new ATOM 0 HE2 LYS A 100 32.015 5.300 8.777 1.00 42.43 H new ATOM 0 HE3 LYS A 100 30.406 5.030 8.139 1.00 42.43 H new ATOM 0 HZ1 LYS A 100 30.686 7.307 8.872 1.00 73.12 H new ATOM 0 HZ2 LYS A 100 29.514 6.532 9.825 1.00 73.12 H new ATOM 0 HZ3 LYS A 100 31.074 6.794 10.443 1.00 73.12 H new ATOM 1576 N ASN A 101 31.324 -1.127 9.217 1.00 13.14 N ATOM 1577 CA ASN A 101 32.003 -2.107 10.057 1.00 43.20 C ATOM 1578 C ASN A 101 33.195 -2.716 9.326 1.00 64.44 C ATOM 1579 O ASN A 101 34.069 -3.328 9.941 1.00 42.22 O ATOM 1580 CB ASN A 101 31.031 -3.210 10.478 1.00 34.14 C ATOM 1581 CG ASN A 101 31.196 -3.601 11.934 1.00 33.42 C ATOM 1582 OD1 ASN A 101 32.314 -3.769 12.420 1.00 22.14 O ATOM 1583 ND2 ASN A 101 30.079 -3.749 12.637 1.00 31.13 N ATOM 0 H ASN A 101 30.362 -1.369 8.980 1.00 13.14 H new ATOM 0 HA ASN A 101 32.368 -1.595 10.947 1.00 43.20 H new ATOM 0 HB2 ASN A 101 30.008 -2.873 10.309 1.00 34.14 H new ATOM 0 HB3 ASN A 101 31.186 -4.087 9.849 1.00 34.14 H new ATOM 0 HD21 ASN A 101 30.127 -4.012 13.621 1.00 31.13 H new ATOM 0 HD22 ASN A 101 29.173 -3.599 12.193 1.00 31.13 H new ATOM 1590 N LYS A 102 33.225 -2.545 8.008 1.00 31.03 N ATOM 1591 CA LYS A 102 34.310 -3.076 7.191 1.00 12.34 C ATOM 1592 C LYS A 102 35.327 -1.987 6.864 1.00 71.21 C ATOM 1593 O LYS A 102 36.395 -2.266 6.321 1.00 5.55 O ATOM 1594 CB LYS A 102 33.755 -3.676 5.898 1.00 70.13 C ATOM 1595 CG LYS A 102 34.708 -4.644 5.218 1.00 5.42 C ATOM 1596 CD LYS A 102 34.447 -6.078 5.647 1.00 2.32 C ATOM 1597 CE LYS A 102 35.582 -7.000 5.229 1.00 21.03 C ATOM 1598 NZ LYS A 102 35.427 -7.469 3.824 1.00 2.24 N ATOM 0 H LYS A 102 32.510 -2.042 7.483 1.00 31.03 H new ATOM 0 HA LYS A 102 34.812 -3.858 7.761 1.00 12.34 H new ATOM 0 HB2 LYS A 102 32.821 -4.193 6.119 1.00 70.13 H new ATOM 0 HB3 LYS A 102 33.516 -2.868 5.206 1.00 70.13 H new ATOM 0 HG2 LYS A 102 34.601 -4.562 4.136 1.00 5.42 H new ATOM 0 HG3 LYS A 102 35.736 -4.373 5.458 1.00 5.42 H new ATOM 0 HD2 LYS A 102 34.324 -6.118 6.729 1.00 2.32 H new ATOM 0 HD3 LYS A 102 33.513 -6.426 5.207 1.00 2.32 H new ATOM 0 HE2 LYS A 102 36.532 -6.477 5.334 1.00 21.03 H new ATOM 0 HE3 LYS A 102 35.616 -7.860 5.897 1.00 21.03 H new ATOM 0 HZ1 LYS A 102 36.220 -8.095 3.577 1.00 2.24 H new ATOM 0 HZ2 LYS A 102 34.532 -7.990 3.729 1.00 2.24 H new ATOM 0 HZ3 LYS A 102 35.420 -6.650 3.183 1.00 2.24 H new ATOM 1612 N GLY A 103 34.987 -0.746 7.199 1.00 44.14 N ATOM 1613 CA GLY A 103 35.883 0.365 6.933 1.00 15.14 C ATOM 1614 C GLY A 103 35.422 1.215 5.765 1.00 20.45 C ATOM 1615 O GLY A 103 36.065 1.240 4.716 1.00 52.44 O ATOM 0 H GLY A 103 34.108 -0.490 7.649 1.00 44.14 H new ATOM 0 HA2 GLY A 103 35.959 0.988 7.824 1.00 15.14 H new ATOM 0 HA3 GLY A 103 36.882 -0.019 6.727 1.00 15.14 H new ATOM 1619 N PHE A 104 34.305 1.911 5.946 1.00 33.25 N ATOM 1620 CA PHE A 104 33.757 2.763 4.898 1.00 51.51 C ATOM 1621 C PHE A 104 32.937 3.903 5.496 1.00 32.44 C ATOM 1622 O PHE A 104 32.544 3.855 6.662 1.00 32.32 O ATOM 1623 CB PHE A 104 32.888 1.941 3.944 1.00 20.22 C ATOM 1624 CG PHE A 104 33.668 0.952 3.125 1.00 14.22 C ATOM 1625 CD1 PHE A 104 34.204 1.317 1.901 1.00 74.33 C ATOM 1626 CD2 PHE A 104 33.864 -0.342 3.580 1.00 73.04 C ATOM 1627 CE1 PHE A 104 34.922 0.409 1.145 1.00 52.54 C ATOM 1628 CE2 PHE A 104 34.581 -1.253 2.828 1.00 23.42 C ATOM 1629 CZ PHE A 104 35.110 -0.878 1.609 1.00 51.43 C ATOM 0 H PHE A 104 33.761 1.902 6.809 1.00 33.25 H new ATOM 0 HA PHE A 104 34.590 3.191 4.341 1.00 51.51 H new ATOM 0 HB2 PHE A 104 32.133 1.407 4.521 1.00 20.22 H new ATOM 0 HB3 PHE A 104 32.358 2.618 3.274 1.00 20.22 H new ATOM 0 HD1 PHE A 104 34.059 2.322 1.533 1.00 74.33 H new ATOM 0 HD2 PHE A 104 33.452 -0.642 4.532 1.00 73.04 H new ATOM 0 HE1 PHE A 104 35.335 0.706 0.192 1.00 52.54 H new ATOM 0 HE2 PHE A 104 34.728 -2.259 3.194 1.00 23.42 H new ATOM 0 HZ PHE A 104 35.669 -1.590 1.020 1.00 51.43 H new ATOM 1639 N LYS A 105 32.682 4.928 4.690 1.00 64.51 N ATOM 1640 CA LYS A 105 31.909 6.080 5.137 1.00 70.10 C ATOM 1641 C LYS A 105 30.433 5.912 4.790 1.00 1.21 C ATOM 1642 O LYS A 105 30.089 5.480 3.690 1.00 32.21 O ATOM 1643 CB LYS A 105 32.451 7.362 4.501 1.00 71.24 C ATOM 1644 CG LYS A 105 31.761 8.623 4.991 1.00 4.03 C ATOM 1645 CD LYS A 105 32.043 8.876 6.463 1.00 44.22 C ATOM 1646 CE LYS A 105 33.502 9.240 6.696 1.00 13.13 C ATOM 1647 NZ LYS A 105 33.909 10.433 5.904 1.00 44.11 N ATOM 0 H LYS A 105 33.000 4.984 3.722 1.00 64.51 H new ATOM 0 HA LYS A 105 32.004 6.152 6.221 1.00 70.10 H new ATOM 0 HB2 LYS A 105 33.518 7.438 4.709 1.00 71.24 H new ATOM 0 HB3 LYS A 105 32.341 7.295 3.419 1.00 71.24 H new ATOM 0 HG2 LYS A 105 32.099 9.476 4.403 1.00 4.03 H new ATOM 0 HG3 LYS A 105 30.686 8.535 4.835 1.00 4.03 H new ATOM 0 HD2 LYS A 105 31.404 9.682 6.824 1.00 44.22 H new ATOM 0 HD3 LYS A 105 31.792 7.987 7.041 1.00 44.22 H new ATOM 0 HE2 LYS A 105 33.663 9.436 7.756 1.00 13.13 H new ATOM 0 HE3 LYS A 105 34.135 8.394 6.429 1.00 13.13 H new ATOM 0 HZ1 LYS A 105 34.774 10.842 6.312 1.00 44.11 H new ATOM 0 HZ2 LYS A 105 34.090 10.151 4.920 1.00 44.11 H new ATOM 0 HZ3 LYS A 105 33.147 11.141 5.927 1.00 44.11 H new ATOM 1661 N VAL A 106 29.565 6.259 5.735 1.00 34.41 N ATOM 1662 CA VAL A 106 28.126 6.149 5.528 1.00 34.12 C ATOM 1663 C VAL A 106 27.455 7.516 5.597 1.00 14.11 C ATOM 1664 O VAL A 106 27.685 8.285 6.530 1.00 61.41 O ATOM 1665 CB VAL A 106 27.478 5.218 6.571 1.00 50.32 C ATOM 1666 CG1 VAL A 106 25.994 5.047 6.285 1.00 71.20 C ATOM 1667 CG2 VAL A 106 28.184 3.871 6.593 1.00 1.14 C ATOM 0 H VAL A 106 29.833 6.619 6.651 1.00 34.41 H new ATOM 0 HA VAL A 106 27.981 5.726 4.534 1.00 34.12 H new ATOM 0 HB VAL A 106 27.583 5.674 7.555 1.00 50.32 H new ATOM 0 HG11 VAL A 106 25.553 4.386 7.032 1.00 71.20 H new ATOM 0 HG12 VAL A 106 25.502 6.019 6.324 1.00 71.20 H new ATOM 0 HG13 VAL A 106 25.862 4.613 5.294 1.00 71.20 H new ATOM 0 HG21 VAL A 106 27.714 3.226 7.335 1.00 1.14 H new ATOM 0 HG22 VAL A 106 28.111 3.406 5.610 1.00 1.14 H new ATOM 0 HG23 VAL A 106 29.234 4.014 6.850 1.00 1.14 H new ATOM 1677 N GLU A 107 26.623 7.812 4.603 1.00 61.01 N ATOM 1678 CA GLU A 107 25.919 9.088 4.551 1.00 33.33 C ATOM 1679 C GLU A 107 24.423 8.875 4.336 1.00 31.14 C ATOM 1680 O GLU A 107 24.010 7.974 3.605 1.00 44.22 O ATOM 1681 CB GLU A 107 26.486 9.964 3.433 1.00 41.03 C ATOM 1682 CG GLU A 107 27.997 9.878 3.299 1.00 62.51 C ATOM 1683 CD GLU A 107 28.591 11.084 2.599 1.00 51.34 C ATOM 1684 OE1 GLU A 107 27.981 12.172 2.669 1.00 21.44 O ATOM 1685 OE2 GLU A 107 29.666 10.941 1.980 1.00 62.23 O ATOM 0 H GLU A 107 26.420 7.186 3.824 1.00 61.01 H new ATOM 0 HA GLU A 107 26.064 9.593 5.506 1.00 33.33 H new ATOM 0 HB2 GLU A 107 26.029 9.673 2.487 1.00 41.03 H new ATOM 0 HB3 GLU A 107 26.204 11.001 3.617 1.00 41.03 H new ATOM 0 HG2 GLU A 107 28.441 9.783 4.290 1.00 62.51 H new ATOM 0 HG3 GLU A 107 28.258 8.976 2.745 1.00 62.51 H new ATOM 1692 N THR A 108 23.614 9.711 4.980 1.00 33.42 N ATOM 1693 CA THR A 108 22.164 9.614 4.862 1.00 3.10 C ATOM 1694 C THR A 108 21.573 10.897 4.288 1.00 31.44 C ATOM 1695 O THR A 108 21.906 11.997 4.730 1.00 74.41 O ATOM 1696 CB THR A 108 21.508 9.324 6.225 1.00 54.12 C ATOM 1697 OG1 THR A 108 22.283 9.910 7.277 1.00 70.52 O ATOM 1698 CG2 THR A 108 21.379 7.826 6.456 1.00 64.01 C ATOM 0 H THR A 108 23.938 10.463 5.588 1.00 33.42 H new ATOM 0 HA THR A 108 21.956 8.786 4.184 1.00 3.10 H new ATOM 0 HB THR A 108 20.510 9.762 6.223 1.00 54.12 H new ATOM 0 HG1 THR A 108 21.858 9.722 8.140 1.00 70.52 H new ATOM 0 HG21 THR A 108 20.913 7.646 7.425 1.00 64.01 H new ATOM 0 HG22 THR A 108 20.763 7.388 5.670 1.00 64.01 H new ATOM 0 HG23 THR A 108 22.368 7.369 6.439 1.00 64.01 H new ATOM 1706 N ASP A 109 20.694 10.748 3.303 1.00 2.32 N ATOM 1707 CA ASP A 109 20.054 11.896 2.670 1.00 24.31 C ATOM 1708 C ASP A 109 18.608 11.578 2.305 1.00 52.14 C ATOM 1709 O ASP A 109 18.137 10.460 2.509 1.00 20.42 O ATOM 1710 CB ASP A 109 20.830 12.313 1.419 1.00 33.14 C ATOM 1711 CG ASP A 109 20.852 13.817 1.227 1.00 74.54 C ATOM 1712 OD1 ASP A 109 21.418 14.517 2.092 1.00 72.15 O ATOM 1713 OD2 ASP A 109 20.302 14.293 0.211 1.00 11.03 O ATOM 0 H ASP A 109 20.408 9.844 2.926 1.00 2.32 H new ATOM 0 HA ASP A 109 20.057 12.722 3.382 1.00 24.31 H new ATOM 0 HB2 ASP A 109 21.853 11.943 1.489 1.00 33.14 H new ATOM 0 HB3 ASP A 109 20.381 11.844 0.543 1.00 33.14 H new ATOM 1718 N MET A 110 17.908 12.570 1.764 1.00 40.12 N ATOM 1719 CA MET A 110 16.515 12.396 1.370 1.00 72.32 C ATOM 1720 C MET A 110 16.245 13.052 0.020 1.00 43.34 C ATOM 1721 O MET A 110 16.916 14.013 -0.360 1.00 62.12 O ATOM 1722 CB MET A 110 15.585 12.986 2.432 1.00 74.34 C ATOM 1723 CG MET A 110 15.854 12.464 3.834 1.00 64.34 C ATOM 1724 SD MET A 110 15.014 13.426 5.106 1.00 22.54 S ATOM 1725 CE MET A 110 15.974 12.984 6.553 1.00 51.31 C ATOM 0 H MET A 110 18.283 13.502 1.589 1.00 40.12 H new ATOM 0 HA MET A 110 16.320 11.327 1.280 1.00 72.32 H new ATOM 0 HB2 MET A 110 15.688 14.071 2.431 1.00 74.34 H new ATOM 0 HB3 MET A 110 14.552 12.764 2.163 1.00 74.34 H new ATOM 0 HG2 MET A 110 15.532 11.425 3.898 1.00 64.34 H new ATOM 0 HG3 MET A 110 16.927 12.478 4.023 1.00 64.34 H new ATOM 0 HE1 MET A 110 15.576 13.501 7.426 1.00 51.31 H new ATOM 0 HE2 MET A 110 15.917 11.907 6.712 1.00 51.31 H new ATOM 0 HE3 MET A 110 17.014 13.274 6.402 1.00 51.31 H new TER 1735 MET A 110