USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1157 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 57 LYS NZ :NH3+ -157:sc= 1.38 (180deg=0.603) USER MOD Set 1.2: A 59 ASN : amide:sc= 1.35 K(o=2.7,f=-6.7!) USER MOD Set 2.1: A 9 THR OG1 : rot -142:sc= 1.22 USER MOD Set 2.2: A 11 ASN : amide:sc= 0.853 K(o=2.1,f=-0.36) USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0645 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= -1.95 (180deg=-2.39!) USER MOD Single : A 8 ASN : amide:sc= 0.0285 X(o=0.029,f=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0661) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0.737 (180deg=0.65) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.34) USER MOD Single : A 25 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.08) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= 0.801 (180deg=0.0122) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc=-0.00913 (180deg=-0.107) USER MOD Single : A 42 MET CE :methyl 144:sc= -1.68 (180deg=-2.81!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0.0668 (180deg=-0.126) USER MOD Single : A 58 SER OG : rot 20:sc=-0.00118 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc=-0.00556 (180deg=-0.0913) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -125:sc= -0.0478 (180deg=-0.777) USER MOD Single : A 67 MET CE :methyl 166:sc= -2.17 (180deg=-2.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0109 (180deg=-0.24) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0.369 (180deg=0.368) USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= 0.106 (180deg=0.0955) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 146:sc= -1.05! (180deg=-3.43!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -177:sc= 0.0944 (180deg=0.0318) USER MOD Single : A 121 MET CE :methyl -148:sc= -2.11! (180deg=-2.95!) USER MOD Single : A 122 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.17) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 130 HIS :FLIP no HD1:sc= -0.213 F(o=-1.3,f=-0.21) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 133 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.031) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.686 10.188 13.845 1.00 25.02 N ATOM 2 CA MET A 1 3.158 9.975 12.455 1.00 75.24 C ATOM 3 C MET A 1 3.495 8.497 12.257 1.00 12.34 C ATOM 4 O MET A 1 3.982 7.839 13.179 1.00 51.04 O ATOM 5 CB MET A 1 4.381 10.883 12.143 1.00 13.22 C ATOM 6 CG MET A 1 5.067 10.627 10.789 1.00 43.31 C ATOM 7 SD MET A 1 3.932 10.694 9.386 1.00 24.01 S ATOM 8 CE MET A 1 5.032 10.296 8.026 1.00 33.44 C ATOM 0 H1 MET A 1 3.143 11.034 14.241 1.00 25.02 H new ATOM 0 H2 MET A 1 1.654 10.319 13.845 1.00 25.02 H new ATOM 0 H3 MET A 1 2.930 9.360 14.425 1.00 25.02 H new ATOM 0 HA MET A 1 2.367 10.250 11.758 1.00 75.24 H new ATOM 0 HB2 MET A 1 4.057 11.923 12.176 1.00 13.22 H new ATOM 0 HB3 MET A 1 5.119 10.754 12.935 1.00 13.22 H new ATOM 0 HG2 MET A 1 5.856 11.365 10.644 1.00 43.31 H new ATOM 0 HG3 MET A 1 5.547 9.649 10.812 1.00 43.31 H new ATOM 0 HE1 MET A 1 4.712 10.830 7.131 1.00 33.44 H new ATOM 0 HE2 MET A 1 6.049 10.593 8.282 1.00 33.44 H new ATOM 0 HE3 MET A 1 5.004 9.223 7.838 1.00 33.44 H new ATOM 20 N LYS A 2 3.244 7.994 11.039 1.00 60.41 N ATOM 21 CA LYS A 2 3.447 6.589 10.689 1.00 61.25 C ATOM 22 C LYS A 2 3.667 6.494 9.165 1.00 60.23 C ATOM 23 O LYS A 2 3.245 7.385 8.417 1.00 0.20 O ATOM 24 CB LYS A 2 2.210 5.748 11.165 1.00 15.31 C ATOM 25 CG LYS A 2 2.559 4.337 11.680 1.00 50.42 C ATOM 26 CD LYS A 2 1.330 3.582 12.239 1.00 73.01 C ATOM 27 CE LYS A 2 1.718 2.272 12.939 1.00 65.13 C ATOM 28 NZ LYS A 2 2.610 2.508 14.107 1.00 23.52 N ATOM 0 H LYS A 2 2.892 8.559 10.266 1.00 60.41 H new ATOM 0 HA LYS A 2 4.326 6.181 11.188 1.00 61.25 H new ATOM 0 HB2 LYS A 2 1.698 6.294 11.957 1.00 15.31 H new ATOM 0 HB3 LYS A 2 1.508 5.656 10.336 1.00 15.31 H new ATOM 0 HG2 LYS A 2 2.998 3.757 10.868 1.00 50.42 H new ATOM 0 HG3 LYS A 2 3.316 4.417 12.460 1.00 50.42 H new ATOM 0 HD2 LYS A 2 0.801 4.225 12.943 1.00 73.01 H new ATOM 0 HD3 LYS A 2 0.639 3.365 11.425 1.00 73.01 H new ATOM 0 HE2 LYS A 2 0.816 1.757 13.270 1.00 65.13 H new ATOM 0 HE3 LYS A 2 2.218 1.615 12.228 1.00 65.13 H new ATOM 0 HZ1 LYS A 2 3.024 1.605 14.416 1.00 23.52 H new ATOM 0 HZ2 LYS A 2 3.371 3.163 13.836 1.00 23.52 H new ATOM 0 HZ3 LYS A 2 2.059 2.921 14.887 1.00 23.52 H new ATOM 42 N ILE A 3 4.358 5.439 8.718 1.00 13.20 N ATOM 43 CA ILE A 3 4.639 5.193 7.290 1.00 52.51 C ATOM 44 C ILE A 3 3.992 3.858 6.888 1.00 61.22 C ATOM 45 O ILE A 3 4.434 2.801 7.326 1.00 63.42 O ATOM 46 CB ILE A 3 6.192 5.141 6.996 1.00 65.21 C ATOM 47 CG1 ILE A 3 6.898 6.462 7.452 1.00 61.20 C ATOM 48 CG2 ILE A 3 6.467 4.849 5.493 1.00 14.42 C ATOM 49 CD1 ILE A 3 8.399 6.473 7.228 1.00 34.41 C ATOM 0 H ILE A 3 4.742 4.725 9.337 1.00 13.20 H new ATOM 0 HA ILE A 3 4.224 6.016 6.708 1.00 52.51 H new ATOM 0 HB ILE A 3 6.614 4.321 7.578 1.00 65.21 H new ATOM 0 HG12 ILE A 3 6.455 7.301 6.916 1.00 61.20 H new ATOM 0 HG13 ILE A 3 6.699 6.620 8.512 1.00 61.20 H new ATOM 0 HG21 ILE A 3 7.543 4.819 5.319 1.00 14.42 H new ATOM 0 HG22 ILE A 3 6.029 3.888 5.223 1.00 14.42 H new ATOM 0 HG23 ILE A 3 6.023 5.635 4.882 1.00 14.42 H new ATOM 0 HD11 ILE A 3 8.811 7.422 7.570 1.00 34.41 H new ATOM 0 HD12 ILE A 3 8.856 5.656 7.787 1.00 34.41 H new ATOM 0 HD13 ILE A 3 8.609 6.348 6.166 1.00 34.41 H new ATOM 61 N LEU A 4 2.908 3.908 6.114 1.00 70.52 N ATOM 62 CA LEU A 4 2.238 2.699 5.594 1.00 12.32 C ATOM 63 C LEU A 4 2.440 2.628 4.083 1.00 32.31 C ATOM 64 O LEU A 4 2.314 3.637 3.392 1.00 75.10 O ATOM 65 CB LEU A 4 0.720 2.689 5.955 1.00 11.41 C ATOM 66 CG LEU A 4 0.347 2.156 7.382 1.00 13.05 C ATOM 67 CD1 LEU A 4 0.941 3.017 8.518 1.00 71.14 C ATOM 68 CD2 LEU A 4 -1.181 2.016 7.521 1.00 13.04 C ATOM 0 H LEU A 4 2.465 4.781 5.826 1.00 70.52 H new ATOM 0 HA LEU A 4 2.682 1.820 6.061 1.00 12.32 H new ATOM 0 HB2 LEU A 4 0.339 3.706 5.860 1.00 11.41 H new ATOM 0 HB3 LEU A 4 0.197 2.082 5.216 1.00 11.41 H new ATOM 0 HG LEU A 4 0.799 1.169 7.485 1.00 13.05 H new ATOM 0 HD11 LEU A 4 0.649 2.599 9.482 1.00 71.14 H new ATOM 0 HD12 LEU A 4 2.028 3.023 8.439 1.00 71.14 H new ATOM 0 HD13 LEU A 4 0.566 4.037 8.436 1.00 71.14 H new ATOM 0 HD21 LEU A 4 -1.423 1.645 8.517 1.00 13.04 H new ATOM 0 HD22 LEU A 4 -1.651 2.988 7.372 1.00 13.04 H new ATOM 0 HD23 LEU A 4 -1.552 1.315 6.773 1.00 13.04 H new ATOM 80 N ILE A 5 2.800 1.438 3.585 1.00 30.44 N ATOM 81 CA ILE A 5 2.862 1.154 2.148 1.00 0.53 C ATOM 82 C ILE A 5 1.797 0.097 1.823 1.00 4.04 C ATOM 83 O ILE A 5 1.862 -1.035 2.316 1.00 34.42 O ATOM 84 CB ILE A 5 4.290 0.666 1.678 1.00 62.22 C ATOM 85 CG1 ILE A 5 5.386 1.725 2.051 1.00 34.41 C ATOM 86 CG2 ILE A 5 4.300 0.358 0.150 1.00 20.42 C ATOM 87 CD1 ILE A 5 6.787 1.402 1.553 1.00 14.41 C ATOM 0 H ILE A 5 3.057 0.643 4.171 1.00 30.44 H new ATOM 0 HA ILE A 5 2.669 2.079 1.605 1.00 0.53 H new ATOM 0 HB ILE A 5 4.524 -0.260 2.203 1.00 62.22 H new ATOM 0 HG12 ILE A 5 5.087 2.693 1.648 1.00 34.41 H new ATOM 0 HG13 ILE A 5 5.417 1.828 3.136 1.00 34.41 H new ATOM 0 HG21 ILE A 5 5.294 0.024 -0.147 1.00 20.42 H new ATOM 0 HG22 ILE A 5 3.574 -0.425 -0.068 1.00 20.42 H new ATOM 0 HG23 ILE A 5 4.039 1.259 -0.405 1.00 20.42 H new ATOM 0 HD11 ILE A 5 7.473 2.191 1.860 1.00 14.41 H new ATOM 0 HD12 ILE A 5 7.114 0.452 1.976 1.00 14.41 H new ATOM 0 HD13 ILE A 5 6.779 1.331 0.465 1.00 14.41 H new ATOM 99 N LEU A 6 0.809 0.496 1.019 1.00 4.31 N ATOM 100 CA LEU A 6 -0.293 -0.369 0.599 1.00 63.20 C ATOM 101 C LEU A 6 0.094 -1.074 -0.699 1.00 62.23 C ATOM 102 O LEU A 6 0.505 -0.423 -1.662 1.00 55.21 O ATOM 103 CB LEU A 6 -1.576 0.467 0.374 1.00 30.34 C ATOM 104 CG LEU A 6 -2.078 1.300 1.580 1.00 2.13 C ATOM 105 CD1 LEU A 6 -3.368 2.083 1.234 1.00 53.31 C ATOM 106 CD2 LEU A 6 -2.271 0.420 2.822 1.00 50.25 C ATOM 0 H LEU A 6 0.752 1.440 0.637 1.00 4.31 H new ATOM 0 HA LEU A 6 -0.489 -1.106 1.378 1.00 63.20 H new ATOM 0 HB2 LEU A 6 -1.399 1.146 -0.460 1.00 30.34 H new ATOM 0 HB3 LEU A 6 -2.375 -0.209 0.070 1.00 30.34 H new ATOM 0 HG LEU A 6 -1.307 2.035 1.814 1.00 2.13 H new ATOM 0 HD11 LEU A 6 -3.690 2.655 2.104 1.00 53.31 H new ATOM 0 HD12 LEU A 6 -3.170 2.763 0.405 1.00 53.31 H new ATOM 0 HD13 LEU A 6 -4.153 1.383 0.949 1.00 53.31 H new ATOM 0 HD21 LEU A 6 -2.624 1.033 3.651 1.00 50.25 H new ATOM 0 HD22 LEU A 6 -3.005 -0.357 2.607 1.00 50.25 H new ATOM 0 HD23 LEU A 6 -1.322 -0.043 3.091 1.00 50.25 H new ATOM 118 N ILE A 7 -0.013 -2.403 -0.704 1.00 71.23 N ATOM 119 CA ILE A 7 0.207 -3.227 -1.906 1.00 22.31 C ATOM 120 C ILE A 7 -1.117 -3.886 -2.308 1.00 31.13 C ATOM 121 O ILE A 7 -1.664 -4.708 -1.557 1.00 41.41 O ATOM 122 CB ILE A 7 1.308 -4.336 -1.686 1.00 52.30 C ATOM 123 CG1 ILE A 7 2.665 -3.700 -1.259 1.00 34.21 C ATOM 124 CG2 ILE A 7 1.490 -5.212 -2.955 1.00 23.02 C ATOM 125 CD1 ILE A 7 3.291 -2.751 -2.273 1.00 60.00 C ATOM 0 H ILE A 7 -0.255 -2.946 0.125 1.00 71.23 H new ATOM 0 HA ILE A 7 0.568 -2.571 -2.698 1.00 22.31 H new ATOM 0 HB ILE A 7 0.965 -4.983 -0.879 1.00 52.30 H new ATOM 0 HG12 ILE A 7 2.515 -3.159 -0.325 1.00 34.21 H new ATOM 0 HG13 ILE A 7 3.373 -4.502 -1.052 1.00 34.21 H new ATOM 0 HG21 ILE A 7 2.255 -5.966 -2.770 1.00 23.02 H new ATOM 0 HG22 ILE A 7 0.547 -5.703 -3.196 1.00 23.02 H new ATOM 0 HG23 ILE A 7 1.795 -4.583 -3.791 1.00 23.02 H new ATOM 0 HD11 ILE A 7 4.230 -2.365 -1.878 1.00 60.00 H new ATOM 0 HD12 ILE A 7 3.481 -3.286 -3.203 1.00 60.00 H new ATOM 0 HD13 ILE A 7 2.610 -1.922 -2.464 1.00 60.00 H new ATOM 137 N ASN A 8 -1.613 -3.512 -3.492 1.00 44.35 N ATOM 138 CA ASN A 8 -2.802 -4.106 -4.098 1.00 1.34 C ATOM 139 C ASN A 8 -2.427 -4.650 -5.471 1.00 4.20 C ATOM 140 O ASN A 8 -2.248 -3.886 -6.424 1.00 22.53 O ATOM 141 CB ASN A 8 -3.931 -3.054 -4.212 1.00 35.13 C ATOM 142 CG ASN A 8 -5.203 -3.602 -4.858 1.00 12.24 C ATOM 143 OD1 ASN A 8 -5.443 -3.422 -6.053 1.00 30.11 O ATOM 144 ND2 ASN A 8 -6.002 -4.314 -4.081 1.00 72.20 N ATOM 0 H ASN A 8 -1.192 -2.778 -4.061 1.00 44.35 H new ATOM 0 HA ASN A 8 -3.171 -4.920 -3.473 1.00 1.34 H new ATOM 0 HB2 ASN A 8 -4.170 -2.678 -3.217 1.00 35.13 H new ATOM 0 HB3 ASN A 8 -3.571 -2.206 -4.795 1.00 35.13 H new ATOM 0 HD21 ASN A 8 -6.847 -4.734 -4.467 1.00 72.20 H new ATOM 0 HD22 ASN A 8 -5.773 -4.443 -3.095 1.00 72.20 H new ATOM 151 N THR A 9 -2.260 -5.970 -5.550 1.00 1.32 N ATOM 152 CA THR A 9 -2.045 -6.666 -6.814 1.00 22.12 C ATOM 153 C THR A 9 -2.986 -7.860 -6.936 1.00 74.43 C ATOM 154 O THR A 9 -3.374 -8.467 -5.925 1.00 42.43 O ATOM 155 CB THR A 9 -0.566 -7.102 -7.045 1.00 21.02 C ATOM 156 OG1 THR A 9 -0.419 -7.623 -8.378 1.00 75.13 O ATOM 157 CG2 THR A 9 -0.096 -8.137 -6.049 1.00 11.42 C ATOM 0 H THR A 9 -2.270 -6.586 -4.737 1.00 1.32 H new ATOM 0 HA THR A 9 -2.272 -5.945 -7.600 1.00 22.12 H new ATOM 0 HB THR A 9 0.053 -6.215 -6.907 1.00 21.02 H new ATOM 0 HG1 THR A 9 0.193 -8.389 -8.364 1.00 75.13 H new ATOM 0 HG21 THR A 9 0.940 -8.401 -6.260 1.00 11.42 H new ATOM 0 HG22 THR A 9 -0.168 -7.730 -5.040 1.00 11.42 H new ATOM 0 HG23 THR A 9 -0.720 -9.027 -6.127 1.00 11.42 H new ATOM 165 N ASN A 10 -3.372 -8.152 -8.180 1.00 2.13 N ATOM 166 CA ASN A 10 -4.191 -9.320 -8.509 1.00 63.01 C ATOM 167 C ASN A 10 -3.416 -10.630 -8.200 1.00 55.34 C ATOM 168 O ASN A 10 -3.970 -11.564 -7.607 1.00 14.32 O ATOM 169 CB ASN A 10 -4.607 -9.259 -10.003 1.00 62.21 C ATOM 170 CG ASN A 10 -5.599 -10.355 -10.415 1.00 61.34 C ATOM 171 OD1 ASN A 10 -6.424 -10.800 -9.616 1.00 54.11 O ATOM 172 ND2 ASN A 10 -5.536 -10.789 -11.662 1.00 2.43 N ATOM 0 H ASN A 10 -3.124 -7.583 -8.990 1.00 2.13 H new ATOM 0 HA ASN A 10 -5.092 -9.313 -7.895 1.00 63.01 H new ATOM 0 HB2 ASN A 10 -5.051 -8.285 -10.207 1.00 62.21 H new ATOM 0 HB3 ASN A 10 -3.714 -9.339 -10.623 1.00 62.21 H new ATOM 0 HD21 ASN A 10 -6.181 -11.511 -11.984 1.00 2.43 H new ATOM 0 HD22 ASN A 10 -4.842 -10.402 -12.302 1.00 2.43 H new ATOM 179 N ASN A 11 -2.116 -10.670 -8.580 1.00 2.14 N ATOM 180 CA ASN A 11 -1.261 -11.872 -8.406 1.00 24.50 C ATOM 181 C ASN A 11 -0.616 -11.901 -6.991 1.00 52.32 C ATOM 182 O ASN A 11 0.323 -11.163 -6.699 1.00 25.13 O ATOM 183 CB ASN A 11 -0.197 -11.998 -9.558 1.00 43.24 C ATOM 184 CG ASN A 11 0.626 -10.739 -9.865 1.00 73.42 C ATOM 185 OD1 ASN A 11 0.870 -9.909 -9.010 1.00 32.12 O ATOM 186 ND2 ASN A 11 1.062 -10.595 -11.109 1.00 23.33 N ATOM 0 H ASN A 11 -1.634 -9.881 -9.011 1.00 2.14 H new ATOM 0 HA ASN A 11 -1.899 -12.752 -8.481 1.00 24.50 H new ATOM 0 HB2 ASN A 11 0.492 -12.803 -9.301 1.00 43.24 H new ATOM 0 HB3 ASN A 11 -0.714 -12.300 -10.469 1.00 43.24 H new ATOM 0 HD21 ASN A 11 1.614 -9.776 -11.364 1.00 23.33 H new ATOM 0 HD22 ASN A 11 0.846 -11.303 -11.810 1.00 23.33 H new ATOM 193 N ASP A 12 -1.141 -12.787 -6.126 1.00 64.03 N ATOM 194 CA ASP A 12 -0.731 -12.924 -4.703 1.00 1.43 C ATOM 195 C ASP A 12 0.776 -13.261 -4.550 1.00 14.20 C ATOM 196 O ASP A 12 1.433 -12.825 -3.588 1.00 33.52 O ATOM 197 CB ASP A 12 -1.602 -14.029 -4.052 1.00 30.25 C ATOM 198 CG ASP A 12 -1.478 -14.087 -2.520 1.00 12.11 C ATOM 199 OD1 ASP A 12 -0.516 -14.696 -1.994 1.00 24.11 O ATOM 200 OD2 ASP A 12 -2.350 -13.526 -1.836 1.00 33.33 O ATOM 0 H ASP A 12 -1.875 -13.443 -6.394 1.00 64.03 H new ATOM 0 HA ASP A 12 -0.884 -11.968 -4.203 1.00 1.43 H new ATOM 0 HB2 ASP A 12 -2.646 -13.861 -4.318 1.00 30.25 H new ATOM 0 HB3 ASP A 12 -1.319 -14.996 -4.468 1.00 30.25 H new ATOM 205 N GLU A 13 1.292 -14.018 -5.532 1.00 1.34 N ATOM 206 CA GLU A 13 2.684 -14.513 -5.566 1.00 4.40 C ATOM 207 C GLU A 13 3.714 -13.362 -5.572 1.00 11.01 C ATOM 208 O GLU A 13 4.829 -13.513 -5.060 1.00 72.11 O ATOM 209 CB GLU A 13 2.891 -15.404 -6.815 1.00 4.11 C ATOM 210 CG GLU A 13 2.627 -14.678 -8.151 1.00 25.21 C ATOM 211 CD GLU A 13 2.864 -15.564 -9.373 1.00 73.02 C ATOM 212 OE1 GLU A 13 1.920 -16.250 -9.813 1.00 24.00 O ATOM 213 OE2 GLU A 13 4.001 -15.595 -9.891 1.00 65.23 O ATOM 0 H GLU A 13 0.745 -14.310 -6.342 1.00 1.34 H new ATOM 0 HA GLU A 13 2.847 -15.094 -4.659 1.00 4.40 H new ATOM 0 HB2 GLU A 13 3.913 -15.782 -6.814 1.00 4.11 H new ATOM 0 HB3 GLU A 13 2.231 -16.269 -6.746 1.00 4.11 H new ATOM 0 HG2 GLU A 13 1.598 -14.318 -8.165 1.00 25.21 H new ATOM 0 HG3 GLU A 13 3.272 -13.802 -8.215 1.00 25.21 H new ATOM 220 N LEU A 14 3.322 -12.229 -6.184 1.00 22.32 N ATOM 221 CA LEU A 14 4.149 -11.020 -6.260 1.00 33.11 C ATOM 222 C LEU A 14 4.376 -10.427 -4.864 1.00 32.34 C ATOM 223 O LEU A 14 5.515 -10.064 -4.520 1.00 43.02 O ATOM 224 CB LEU A 14 3.479 -9.989 -7.199 1.00 74.34 C ATOM 225 CG LEU A 14 4.112 -8.558 -7.268 1.00 53.14 C ATOM 226 CD1 LEU A 14 5.640 -8.597 -7.520 1.00 35.44 C ATOM 227 CD2 LEU A 14 3.380 -7.688 -8.319 1.00 11.44 C ATOM 0 H LEU A 14 2.416 -12.131 -6.641 1.00 22.32 H new ATOM 0 HA LEU A 14 5.125 -11.283 -6.668 1.00 33.11 H new ATOM 0 HB2 LEU A 14 3.475 -10.404 -8.207 1.00 74.34 H new ATOM 0 HB3 LEU A 14 2.438 -9.882 -6.894 1.00 74.34 H new ATOM 0 HG LEU A 14 3.978 -8.096 -6.290 1.00 53.14 H new ATOM 0 HD11 LEU A 14 6.028 -7.579 -7.559 1.00 35.44 H new ATOM 0 HD12 LEU A 14 6.128 -9.141 -6.712 1.00 35.44 H new ATOM 0 HD13 LEU A 14 5.840 -9.098 -8.467 1.00 35.44 H new ATOM 0 HD21 LEU A 14 3.834 -6.698 -8.352 1.00 11.44 H new ATOM 0 HD22 LEU A 14 3.461 -8.157 -9.300 1.00 11.44 H new ATOM 0 HD23 LEU A 14 2.329 -7.596 -8.046 1.00 11.44 H new ATOM 239 N ILE A 15 3.295 -10.359 -4.055 1.00 60.04 N ATOM 240 CA ILE A 15 3.362 -9.718 -2.731 1.00 44.35 C ATOM 241 C ILE A 15 4.301 -10.505 -1.813 1.00 1.23 C ATOM 242 O ILE A 15 5.023 -9.902 -1.054 1.00 41.44 O ATOM 243 CB ILE A 15 1.977 -9.527 -2.008 1.00 30.44 C ATOM 244 CG1 ILE A 15 0.895 -9.040 -2.999 1.00 30.32 C ATOM 245 CG2 ILE A 15 2.142 -8.510 -0.844 1.00 55.53 C ATOM 246 CD1 ILE A 15 -0.505 -8.879 -2.425 1.00 13.33 C ATOM 0 H ILE A 15 2.378 -10.736 -4.295 1.00 60.04 H new ATOM 0 HA ILE A 15 3.740 -8.714 -2.925 1.00 44.35 H new ATOM 0 HB ILE A 15 1.653 -10.488 -1.609 1.00 30.44 H new ATOM 0 HG12 ILE A 15 1.211 -8.081 -3.410 1.00 30.32 H new ATOM 0 HG13 ILE A 15 0.848 -9.743 -3.830 1.00 30.32 H new ATOM 0 HG21 ILE A 15 1.185 -8.375 -0.341 1.00 55.53 H new ATOM 0 HG22 ILE A 15 2.876 -8.888 -0.132 1.00 55.53 H new ATOM 0 HG23 ILE A 15 2.481 -7.553 -1.242 1.00 55.53 H new ATOM 0 HD11 ILE A 15 -1.181 -8.534 -3.207 1.00 13.33 H new ATOM 0 HD12 ILE A 15 -0.853 -9.838 -2.041 1.00 13.33 H new ATOM 0 HD13 ILE A 15 -0.484 -8.150 -1.615 1.00 13.33 H new ATOM 258 N LYS A 16 4.311 -11.851 -1.951 1.00 44.12 N ATOM 259 CA LYS A 16 5.239 -12.755 -1.216 1.00 5.25 C ATOM 260 C LYS A 16 6.697 -12.232 -1.262 1.00 30.14 C ATOM 261 O LYS A 16 7.407 -12.214 -0.249 1.00 31.11 O ATOM 262 CB LYS A 16 5.195 -14.178 -1.833 1.00 41.13 C ATOM 263 CG LYS A 16 3.838 -14.903 -1.728 1.00 72.05 C ATOM 264 CD LYS A 16 3.870 -16.286 -2.421 1.00 55.44 C ATOM 265 CE LYS A 16 2.601 -17.112 -2.179 1.00 72.23 C ATOM 266 NZ LYS A 16 2.493 -17.538 -0.759 1.00 61.21 N ATOM 0 H LYS A 16 3.675 -12.347 -2.576 1.00 44.12 H new ATOM 0 HA LYS A 16 4.912 -12.786 -0.177 1.00 5.25 H new ATOM 0 HB2 LYS A 16 5.470 -14.108 -2.885 1.00 41.13 H new ATOM 0 HB3 LYS A 16 5.954 -14.790 -1.346 1.00 41.13 H new ATOM 0 HG2 LYS A 16 3.573 -15.029 -0.678 1.00 72.05 H new ATOM 0 HG3 LYS A 16 3.061 -14.287 -2.181 1.00 72.05 H new ATOM 0 HD2 LYS A 16 4.005 -16.145 -3.493 1.00 55.44 H new ATOM 0 HD3 LYS A 16 4.734 -16.845 -2.062 1.00 55.44 H new ATOM 0 HE2 LYS A 16 1.725 -16.524 -2.451 1.00 72.23 H new ATOM 0 HE3 LYS A 16 2.608 -17.990 -2.824 1.00 72.23 H new ATOM 0 HZ1 LYS A 16 1.712 -18.217 -0.659 1.00 61.21 H new ATOM 0 HZ2 LYS A 16 3.383 -17.987 -0.463 1.00 61.21 H new ATOM 0 HZ3 LYS A 16 2.308 -16.708 -0.161 1.00 61.21 H new ATOM 280 N LYS A 17 7.085 -11.757 -2.461 1.00 4.24 N ATOM 281 CA LYS A 17 8.428 -11.226 -2.743 1.00 15.52 C ATOM 282 C LYS A 17 8.579 -9.779 -2.218 1.00 32.45 C ATOM 283 O LYS A 17 9.625 -9.418 -1.670 1.00 20.50 O ATOM 284 CB LYS A 17 8.689 -11.286 -4.267 1.00 55.05 C ATOM 285 CG LYS A 17 8.517 -12.701 -4.865 1.00 54.41 C ATOM 286 CD LYS A 17 8.770 -12.743 -6.386 1.00 30.35 C ATOM 287 CE LYS A 17 10.186 -12.286 -6.763 1.00 31.01 C ATOM 288 NZ LYS A 17 10.476 -12.515 -8.194 1.00 41.42 N ATOM 0 H LYS A 17 6.465 -11.732 -3.270 1.00 4.24 H new ATOM 0 HA LYS A 17 9.166 -11.838 -2.225 1.00 15.52 H new ATOM 0 HB2 LYS A 17 8.008 -10.601 -4.772 1.00 55.05 H new ATOM 0 HB3 LYS A 17 9.701 -10.935 -4.469 1.00 55.05 H new ATOM 0 HG2 LYS A 17 9.204 -13.386 -4.368 1.00 54.41 H new ATOM 0 HG3 LYS A 17 7.507 -13.057 -4.659 1.00 54.41 H new ATOM 0 HD2 LYS A 17 8.612 -13.759 -6.749 1.00 30.35 H new ATOM 0 HD3 LYS A 17 8.041 -12.107 -6.889 1.00 30.35 H new ATOM 0 HE2 LYS A 17 10.298 -11.226 -6.535 1.00 31.01 H new ATOM 0 HE3 LYS A 17 10.915 -12.822 -6.155 1.00 31.01 H new ATOM 0 HZ1 LYS A 17 11.441 -12.193 -8.408 1.00 41.42 H new ATOM 0 HZ2 LYS A 17 10.394 -13.530 -8.407 1.00 41.42 H new ATOM 0 HZ3 LYS A 17 9.797 -11.983 -8.775 1.00 41.42 H new ATOM 302 N ILE A 18 7.508 -8.970 -2.373 1.00 31.11 N ATOM 303 CA ILE A 18 7.460 -7.566 -1.888 1.00 20.32 C ATOM 304 C ILE A 18 7.585 -7.514 -0.344 1.00 72.01 C ATOM 305 O ILE A 18 8.184 -6.588 0.213 1.00 13.41 O ATOM 306 CB ILE A 18 6.130 -6.848 -2.354 1.00 41.33 C ATOM 307 CG1 ILE A 18 6.060 -6.783 -3.918 1.00 23.40 C ATOM 308 CG2 ILE A 18 5.987 -5.437 -1.727 1.00 34.13 C ATOM 309 CD1 ILE A 18 4.819 -6.108 -4.482 1.00 23.12 C ATOM 0 H ILE A 18 6.650 -9.269 -2.838 1.00 31.11 H new ATOM 0 HA ILE A 18 8.306 -7.035 -2.324 1.00 20.32 H new ATOM 0 HB ILE A 18 5.289 -7.442 -1.997 1.00 41.33 H new ATOM 0 HG12 ILE A 18 6.940 -6.254 -4.284 1.00 23.40 H new ATOM 0 HG13 ILE A 18 6.112 -7.798 -4.311 1.00 23.40 H new ATOM 0 HG21 ILE A 18 5.061 -4.978 -2.072 1.00 34.13 H new ATOM 0 HG22 ILE A 18 5.967 -5.522 -0.641 1.00 34.13 H new ATOM 0 HG23 ILE A 18 6.833 -4.818 -2.027 1.00 34.13 H new ATOM 0 HD11 ILE A 18 4.865 -6.113 -5.571 1.00 23.12 H new ATOM 0 HD12 ILE A 18 3.930 -6.647 -4.154 1.00 23.12 H new ATOM 0 HD13 ILE A 18 4.771 -5.079 -4.126 1.00 23.12 H new ATOM 321 N LYS A 19 7.048 -8.549 0.319 1.00 50.51 N ATOM 322 CA LYS A 19 7.095 -8.699 1.779 1.00 31.23 C ATOM 323 C LYS A 19 8.547 -8.928 2.222 1.00 5.52 C ATOM 324 O LYS A 19 9.058 -8.185 3.049 1.00 64.21 O ATOM 325 CB LYS A 19 6.173 -9.861 2.227 1.00 53.03 C ATOM 326 CG LYS A 19 4.676 -9.625 1.926 1.00 42.15 C ATOM 327 CD LYS A 19 3.788 -10.867 2.184 1.00 41.31 C ATOM 328 CE LYS A 19 3.840 -11.350 3.639 1.00 1.34 C ATOM 329 NZ LYS A 19 2.902 -12.464 3.886 1.00 44.55 N ATOM 0 H LYS A 19 6.563 -9.314 -0.150 1.00 50.51 H new ATOM 0 HA LYS A 19 6.731 -7.789 2.255 1.00 31.23 H new ATOM 0 HB2 LYS A 19 6.493 -10.777 1.731 1.00 53.03 H new ATOM 0 HB3 LYS A 19 6.298 -10.018 3.298 1.00 53.03 H new ATOM 0 HG2 LYS A 19 4.317 -8.798 2.539 1.00 42.15 H new ATOM 0 HG3 LYS A 19 4.567 -9.321 0.885 1.00 42.15 H new ATOM 0 HD2 LYS A 19 2.757 -10.630 1.922 1.00 41.31 H new ATOM 0 HD3 LYS A 19 4.106 -11.677 1.527 1.00 41.31 H new ATOM 0 HE2 LYS A 19 4.854 -11.670 3.879 1.00 1.34 H new ATOM 0 HE3 LYS A 19 3.602 -10.521 4.305 1.00 1.34 H new ATOM 0 HZ1 LYS A 19 2.957 -12.749 4.885 1.00 44.55 H new ATOM 0 HZ2 LYS A 19 1.933 -12.157 3.666 1.00 44.55 H new ATOM 0 HZ3 LYS A 19 3.155 -13.272 3.281 1.00 44.55 H new ATOM 343 N LYS A 20 9.219 -9.912 1.585 1.00 42.44 N ATOM 344 CA LYS A 20 10.644 -10.235 1.851 1.00 63.34 C ATOM 345 C LYS A 20 11.553 -9.002 1.612 1.00 40.41 C ATOM 346 O LYS A 20 12.541 -8.791 2.329 1.00 11.52 O ATOM 347 CB LYS A 20 11.104 -11.415 0.948 1.00 75.34 C ATOM 348 CG LYS A 20 10.442 -12.783 1.250 1.00 70.42 C ATOM 349 CD LYS A 20 10.770 -13.302 2.675 1.00 40.44 C ATOM 350 CE LYS A 20 10.385 -14.777 2.882 1.00 71.43 C ATOM 351 NZ LYS A 20 8.933 -15.008 2.729 1.00 34.11 N ATOM 0 H LYS A 20 8.793 -10.505 0.873 1.00 42.44 H new ATOM 0 HA LYS A 20 10.733 -10.526 2.898 1.00 63.34 H new ATOM 0 HB2 LYS A 20 10.902 -11.155 -0.091 1.00 75.34 H new ATOM 0 HB3 LYS A 20 12.184 -11.524 1.045 1.00 75.34 H new ATOM 0 HG2 LYS A 20 9.361 -12.692 1.140 1.00 70.42 H new ATOM 0 HG3 LYS A 20 10.777 -13.515 0.515 1.00 70.42 H new ATOM 0 HD2 LYS A 20 11.837 -13.181 2.863 1.00 40.44 H new ATOM 0 HD3 LYS A 20 10.246 -12.689 3.408 1.00 40.44 H new ATOM 0 HE2 LYS A 20 10.926 -15.395 2.165 1.00 71.43 H new ATOM 0 HE3 LYS A 20 10.698 -15.095 3.877 1.00 71.43 H new ATOM 0 HZ1 LYS A 20 8.724 -16.016 2.878 1.00 34.11 H new ATOM 0 HZ2 LYS A 20 8.415 -14.440 3.430 1.00 34.11 H new ATOM 0 HZ3 LYS A 20 8.636 -14.731 1.772 1.00 34.11 H new ATOM 365 N GLU A 21 11.175 -8.201 0.595 1.00 72.41 N ATOM 366 CA GLU A 21 11.871 -6.967 0.207 1.00 50.21 C ATOM 367 C GLU A 21 11.806 -5.916 1.337 1.00 32.42 C ATOM 368 O GLU A 21 12.834 -5.414 1.786 1.00 32.32 O ATOM 369 CB GLU A 21 11.239 -6.401 -1.102 1.00 73.24 C ATOM 370 CG GLU A 21 11.907 -5.125 -1.661 1.00 74.13 C ATOM 371 CD GLU A 21 13.353 -5.355 -2.132 1.00 72.23 C ATOM 372 OE1 GLU A 21 13.547 -5.836 -3.262 1.00 12.12 O ATOM 373 OE2 GLU A 21 14.305 -5.066 -1.377 1.00 74.24 O ATOM 0 H GLU A 21 10.362 -8.401 0.013 1.00 72.41 H new ATOM 0 HA GLU A 21 12.921 -7.199 0.029 1.00 50.21 H new ATOM 0 HB2 GLU A 21 11.276 -7.176 -1.868 1.00 73.24 H new ATOM 0 HB3 GLU A 21 10.187 -6.188 -0.915 1.00 73.24 H new ATOM 0 HG2 GLU A 21 11.315 -4.749 -2.496 1.00 74.13 H new ATOM 0 HG3 GLU A 21 11.901 -4.353 -0.892 1.00 74.13 H new ATOM 380 N VAL A 22 10.585 -5.614 1.813 1.00 31.44 N ATOM 381 CA VAL A 22 10.373 -4.557 2.825 1.00 3.33 C ATOM 382 C VAL A 22 10.886 -4.982 4.222 1.00 64.11 C ATOM 383 O VAL A 22 11.246 -4.128 5.040 1.00 64.30 O ATOM 384 CB VAL A 22 8.868 -4.116 2.917 1.00 33.11 C ATOM 385 CG1 VAL A 22 8.357 -3.591 1.558 1.00 2.24 C ATOM 386 CG2 VAL A 22 7.976 -5.248 3.463 1.00 24.11 C ATOM 0 H VAL A 22 9.730 -6.084 1.516 1.00 31.44 H new ATOM 0 HA VAL A 22 10.957 -3.700 2.490 1.00 3.33 H new ATOM 0 HB VAL A 22 8.809 -3.293 3.629 1.00 33.11 H new ATOM 0 HG11 VAL A 22 7.313 -3.293 1.652 1.00 2.24 H new ATOM 0 HG12 VAL A 22 8.953 -2.731 1.253 1.00 2.24 H new ATOM 0 HG13 VAL A 22 8.444 -4.377 0.808 1.00 2.24 H new ATOM 0 HG21 VAL A 22 6.942 -4.905 3.512 1.00 24.11 H new ATOM 0 HG22 VAL A 22 8.041 -6.113 2.803 1.00 24.11 H new ATOM 0 HG23 VAL A 22 8.313 -5.528 4.461 1.00 24.11 H new ATOM 396 N GLU A 23 10.912 -6.310 4.471 1.00 74.24 N ATOM 397 CA GLU A 23 11.424 -6.901 5.728 1.00 23.42 C ATOM 398 C GLU A 23 12.941 -6.668 5.886 1.00 41.00 C ATOM 399 O GLU A 23 13.443 -6.626 7.011 1.00 50.23 O ATOM 400 CB GLU A 23 11.086 -8.416 5.800 1.00 53.22 C ATOM 401 CG GLU A 23 9.591 -8.719 6.021 1.00 74.24 C ATOM 402 CD GLU A 23 9.285 -10.228 6.047 1.00 12.10 C ATOM 403 OE1 GLU A 23 9.499 -10.865 7.106 1.00 42.23 O ATOM 404 OE2 GLU A 23 8.844 -10.788 5.010 1.00 4.20 O ATOM 0 H GLU A 23 10.577 -7.005 3.804 1.00 74.24 H new ATOM 0 HA GLU A 23 10.927 -6.398 6.557 1.00 23.42 H new ATOM 0 HB2 GLU A 23 11.409 -8.893 4.875 1.00 53.22 H new ATOM 0 HB3 GLU A 23 11.660 -8.867 6.609 1.00 53.22 H new ATOM 0 HG2 GLU A 23 9.270 -8.272 6.962 1.00 74.24 H new ATOM 0 HG3 GLU A 23 9.009 -8.249 5.229 1.00 74.24 H new ATOM 411 N ASN A 24 13.652 -6.507 4.744 1.00 74.00 N ATOM 412 CA ASN A 24 15.080 -6.092 4.718 1.00 3.41 C ATOM 413 C ASN A 24 15.258 -4.708 5.380 1.00 71.25 C ATOM 414 O ASN A 24 16.281 -4.431 6.008 1.00 44.44 O ATOM 415 CB ASN A 24 15.622 -6.039 3.261 1.00 72.02 C ATOM 416 CG ASN A 24 15.523 -7.369 2.521 1.00 23.14 C ATOM 417 OD1 ASN A 24 15.610 -8.442 3.119 1.00 0.53 O ATOM 418 ND2 ASN A 24 15.328 -7.303 1.208 1.00 2.44 N ATOM 0 H ASN A 24 13.256 -6.660 3.817 1.00 74.00 H new ATOM 0 HA ASN A 24 15.647 -6.836 5.278 1.00 3.41 H new ATOM 0 HB2 ASN A 24 15.070 -5.282 2.705 1.00 72.02 H new ATOM 0 HB3 ASN A 24 16.665 -5.722 3.282 1.00 72.02 H new ATOM 0 HD21 ASN A 24 15.245 -8.160 0.661 1.00 2.44 H new ATOM 0 HD22 ASN A 24 15.261 -6.395 0.747 1.00 2.44 H new ATOM 425 N GLN A 25 14.229 -3.849 5.224 1.00 35.12 N ATOM 426 CA GLN A 25 14.190 -2.494 5.814 1.00 24.23 C ATOM 427 C GLN A 25 13.432 -2.472 7.167 1.00 41.03 C ATOM 428 O GLN A 25 13.150 -1.392 7.714 1.00 70.31 O ATOM 429 CB GLN A 25 13.561 -1.502 4.796 1.00 12.25 C ATOM 430 CG GLN A 25 14.398 -1.258 3.528 1.00 42.34 C ATOM 431 CD GLN A 25 15.808 -0.756 3.842 1.00 23.54 C ATOM 432 OE1 GLN A 25 16.035 0.445 3.981 1.00 1.22 O ATOM 433 NE2 GLN A 25 16.766 -1.668 3.959 1.00 4.22 N ATOM 0 H GLN A 25 13.396 -4.078 4.681 1.00 35.12 H new ATOM 0 HA GLN A 25 15.212 -2.183 6.028 1.00 24.23 H new ATOM 0 HB2 GLN A 25 12.582 -1.879 4.501 1.00 12.25 H new ATOM 0 HB3 GLN A 25 13.397 -0.547 5.295 1.00 12.25 H new ATOM 0 HG2 GLN A 25 14.465 -2.184 2.957 1.00 42.34 H new ATOM 0 HG3 GLN A 25 13.889 -0.530 2.896 1.00 42.34 H new ATOM 0 HE21 GLN A 25 16.546 -2.657 3.838 1.00 4.22 H new ATOM 0 HE22 GLN A 25 17.721 -1.380 4.170 1.00 4.22 H new ATOM 442 N GLY A 26 13.128 -3.670 7.698 1.00 62.52 N ATOM 443 CA GLY A 26 12.546 -3.828 9.033 1.00 32.34 C ATOM 444 C GLY A 26 11.061 -3.500 9.102 1.00 62.11 C ATOM 445 O GLY A 26 10.536 -3.241 10.193 1.00 62.34 O ATOM 0 H GLY A 26 13.281 -4.552 7.210 1.00 62.52 H new ATOM 0 HA2 GLY A 26 12.697 -4.855 9.365 1.00 32.34 H new ATOM 0 HA3 GLY A 26 13.083 -3.185 9.731 1.00 32.34 H new ATOM 449 N TYR A 27 10.377 -3.511 7.938 1.00 14.02 N ATOM 450 CA TYR A 27 8.941 -3.194 7.855 1.00 43.34 C ATOM 451 C TYR A 27 8.111 -4.372 8.379 1.00 32.41 C ATOM 452 O TYR A 27 8.370 -5.532 8.028 1.00 11.54 O ATOM 453 CB TYR A 27 8.511 -2.840 6.399 1.00 4.43 C ATOM 454 CG TYR A 27 9.046 -1.497 5.843 1.00 32.04 C ATOM 455 CD1 TYR A 27 10.246 -0.931 6.290 1.00 74.11 C ATOM 456 CD2 TYR A 27 8.340 -0.793 4.861 1.00 60.42 C ATOM 457 CE1 TYR A 27 10.714 0.271 5.787 1.00 61.05 C ATOM 458 CE2 TYR A 27 8.810 0.410 4.359 1.00 54.23 C ATOM 459 CZ TYR A 27 9.997 0.937 4.825 1.00 15.31 C ATOM 460 OH TYR A 27 10.469 2.134 4.324 1.00 33.42 O ATOM 0 H TYR A 27 10.802 -3.738 7.039 1.00 14.02 H new ATOM 0 HA TYR A 27 8.758 -2.317 8.476 1.00 43.34 H new ATOM 0 HB2 TYR A 27 8.841 -3.642 5.738 1.00 4.43 H new ATOM 0 HB3 TYR A 27 7.422 -2.820 6.357 1.00 4.43 H new ATOM 0 HD1 TYR A 27 10.821 -1.445 7.046 1.00 74.11 H new ATOM 0 HD2 TYR A 27 7.410 -1.195 4.487 1.00 60.42 H new ATOM 0 HE1 TYR A 27 11.643 0.684 6.152 1.00 61.05 H new ATOM 0 HE2 TYR A 27 8.247 0.936 3.602 1.00 54.23 H new ATOM 0 HH TYR A 27 9.845 2.475 3.650 1.00 33.42 H new ATOM 470 N GLN A 28 7.125 -4.045 9.220 1.00 32.44 N ATOM 471 CA GLN A 28 6.164 -5.010 9.755 1.00 33.20 C ATOM 472 C GLN A 28 5.109 -5.277 8.678 1.00 44.21 C ATOM 473 O GLN A 28 4.465 -4.343 8.218 1.00 31.13 O ATOM 474 CB GLN A 28 5.474 -4.417 11.012 1.00 71.05 C ATOM 475 CG GLN A 28 4.386 -5.328 11.624 1.00 41.11 C ATOM 476 CD GLN A 28 3.467 -4.642 12.637 1.00 1.45 C ATOM 477 OE1 GLN A 28 2.299 -5.003 12.761 1.00 15.54 O ATOM 478 NE2 GLN A 28 3.974 -3.675 13.383 1.00 20.33 N ATOM 0 H GLN A 28 6.971 -3.092 9.551 1.00 32.44 H new ATOM 0 HA GLN A 28 6.672 -5.934 10.031 1.00 33.20 H new ATOM 0 HB2 GLN A 28 6.232 -4.216 11.769 1.00 71.05 H new ATOM 0 HB3 GLN A 28 5.025 -3.459 10.749 1.00 71.05 H new ATOM 0 HG2 GLN A 28 3.775 -5.733 10.817 1.00 41.11 H new ATOM 0 HG3 GLN A 28 4.872 -6.174 12.111 1.00 41.11 H new ATOM 0 HE21 GLN A 28 4.947 -3.393 13.261 1.00 20.33 H new ATOM 0 HE22 GLN A 28 3.392 -3.211 14.081 1.00 20.33 H new ATOM 487 N VAL A 29 4.934 -6.533 8.266 1.00 35.03 N ATOM 488 CA VAL A 29 3.941 -6.886 7.238 1.00 64.04 C ATOM 489 C VAL A 29 2.685 -7.488 7.899 1.00 2.14 C ATOM 490 O VAL A 29 2.778 -8.180 8.915 1.00 52.44 O ATOM 491 CB VAL A 29 4.508 -7.878 6.155 1.00 54.05 C ATOM 492 CG1 VAL A 29 3.523 -7.986 4.969 1.00 24.44 C ATOM 493 CG2 VAL A 29 5.918 -7.445 5.669 1.00 32.23 C ATOM 0 H VAL A 29 5.465 -7.326 8.625 1.00 35.03 H new ATOM 0 HA VAL A 29 3.681 -5.963 6.719 1.00 64.04 H new ATOM 0 HB VAL A 29 4.613 -8.861 6.615 1.00 54.05 H new ATOM 0 HG11 VAL A 29 3.924 -8.674 4.225 1.00 24.44 H new ATOM 0 HG12 VAL A 29 2.562 -8.357 5.326 1.00 24.44 H new ATOM 0 HG13 VAL A 29 3.387 -7.003 4.518 1.00 24.44 H new ATOM 0 HG21 VAL A 29 6.279 -8.152 4.922 1.00 32.23 H new ATOM 0 HG22 VAL A 29 5.861 -6.450 5.228 1.00 32.23 H new ATOM 0 HG23 VAL A 29 6.605 -7.429 6.515 1.00 32.23 H new ATOM 503 N ARG A 30 1.518 -7.172 7.327 1.00 74.24 N ATOM 504 CA ARG A 30 0.219 -7.739 7.713 1.00 50.21 C ATOM 505 C ARG A 30 -0.521 -8.195 6.442 1.00 23.03 C ATOM 506 O ARG A 30 -0.464 -7.510 5.428 1.00 3.54 O ATOM 507 CB ARG A 30 -0.607 -6.666 8.471 1.00 64.25 C ATOM 508 CG ARG A 30 -2.092 -7.028 8.652 1.00 34.41 C ATOM 509 CD ARG A 30 -2.881 -5.950 9.390 1.00 15.34 C ATOM 510 NE ARG A 30 -4.323 -6.208 9.290 1.00 74.25 N ATOM 511 CZ ARG A 30 -5.050 -6.949 10.125 1.00 31.33 C ATOM 512 NH1 ARG A 30 -4.491 -7.583 11.154 1.00 42.24 N ATOM 513 NH2 ARG A 30 -6.354 -7.023 9.936 1.00 14.33 N ATOM 0 H ARG A 30 1.448 -6.499 6.564 1.00 74.24 H new ATOM 0 HA ARG A 30 0.360 -8.596 8.371 1.00 50.21 H new ATOM 0 HB2 ARG A 30 -0.161 -6.506 9.453 1.00 64.25 H new ATOM 0 HB3 ARG A 30 -0.538 -5.721 7.932 1.00 64.25 H new ATOM 0 HG2 ARG A 30 -2.542 -7.194 7.673 1.00 34.41 H new ATOM 0 HG3 ARG A 30 -2.168 -7.966 9.201 1.00 34.41 H new ATOM 0 HD2 ARG A 30 -2.582 -5.925 10.438 1.00 15.34 H new ATOM 0 HD3 ARG A 30 -2.651 -4.971 8.970 1.00 15.34 H new ATOM 0 HE ARG A 30 -4.815 -5.779 8.506 1.00 74.25 H new ATOM 0 HH11 ARG A 30 -3.487 -7.507 11.316 1.00 42.24 H new ATOM 0 HH12 ARG A 30 -5.067 -8.145 11.781 1.00 42.24 H new ATOM 0 HH21 ARG A 30 -6.787 -6.518 9.162 1.00 14.33 H new ATOM 0 HH22 ARG A 30 -6.929 -7.585 10.564 1.00 14.33 H new ATOM 527 N ASP A 31 -1.220 -9.340 6.523 1.00 55.10 N ATOM 528 CA ASP A 31 -2.020 -9.905 5.420 1.00 52.13 C ATOM 529 C ASP A 31 -3.509 -9.751 5.761 1.00 12.25 C ATOM 530 O ASP A 31 -3.985 -10.299 6.765 1.00 71.11 O ATOM 531 CB ASP A 31 -1.660 -11.398 5.198 1.00 1.44 C ATOM 532 CG ASP A 31 -0.173 -11.597 4.855 1.00 64.14 C ATOM 533 OD1 ASP A 31 0.208 -11.391 3.688 1.00 22.11 O ATOM 534 OD2 ASP A 31 0.628 -11.948 5.752 1.00 32.03 O ATOM 0 H ASP A 31 -1.246 -9.909 7.369 1.00 55.10 H new ATOM 0 HA ASP A 31 -1.801 -9.370 4.496 1.00 52.13 H new ATOM 0 HB2 ASP A 31 -1.902 -11.965 6.097 1.00 1.44 H new ATOM 0 HB3 ASP A 31 -2.273 -11.801 4.392 1.00 1.44 H new ATOM 539 N VAL A 32 -4.223 -8.973 4.934 1.00 22.42 N ATOM 540 CA VAL A 32 -5.656 -8.659 5.114 1.00 30.31 C ATOM 541 C VAL A 32 -6.475 -9.462 4.093 1.00 30.41 C ATOM 542 O VAL A 32 -6.115 -9.508 2.910 1.00 21.23 O ATOM 543 CB VAL A 32 -5.936 -7.119 4.917 1.00 50.54 C ATOM 544 CG1 VAL A 32 -7.402 -6.749 5.289 1.00 11.23 C ATOM 545 CG2 VAL A 32 -4.913 -6.279 5.714 1.00 25.52 C ATOM 0 H VAL A 32 -3.818 -8.535 4.107 1.00 22.42 H new ATOM 0 HA VAL A 32 -5.944 -8.927 6.130 1.00 30.31 H new ATOM 0 HB VAL A 32 -5.813 -6.885 3.860 1.00 50.54 H new ATOM 0 HG11 VAL A 32 -7.556 -5.680 5.140 1.00 11.23 H new ATOM 0 HG12 VAL A 32 -8.090 -7.307 4.654 1.00 11.23 H new ATOM 0 HG13 VAL A 32 -7.587 -7.000 6.333 1.00 11.23 H new ATOM 0 HG21 VAL A 32 -5.120 -5.219 5.568 1.00 25.52 H new ATOM 0 HG22 VAL A 32 -4.991 -6.521 6.774 1.00 25.52 H new ATOM 0 HG23 VAL A 32 -3.906 -6.504 5.363 1.00 25.52 H new ATOM 555 N ASN A 33 -7.552 -10.116 4.560 1.00 12.43 N ATOM 556 CA ASN A 33 -8.462 -10.922 3.711 1.00 40.42 C ATOM 557 C ASN A 33 -9.840 -10.227 3.622 1.00 33.03 C ATOM 558 O ASN A 33 -10.355 -9.962 2.531 1.00 53.20 O ATOM 559 CB ASN A 33 -8.623 -12.362 4.300 1.00 53.41 C ATOM 560 CG ASN A 33 -7.283 -13.046 4.618 1.00 60.04 C ATOM 561 OD1 ASN A 33 -6.703 -13.733 3.776 1.00 65.23 O ATOM 562 ND2 ASN A 33 -6.776 -12.850 5.835 1.00 23.24 N ATOM 0 H ASN A 33 -7.822 -10.104 5.543 1.00 12.43 H new ATOM 0 HA ASN A 33 -8.035 -11.003 2.711 1.00 40.42 H new ATOM 0 HB2 ASN A 33 -9.220 -12.309 5.210 1.00 53.41 H new ATOM 0 HB3 ASN A 33 -9.177 -12.977 3.590 1.00 53.41 H new ATOM 0 HD21 ASN A 33 -5.884 -13.274 6.090 1.00 23.24 H new ATOM 0 HD22 ASN A 33 -7.280 -12.276 6.511 1.00 23.24 H new ATOM 569 N ASP A 34 -10.398 -9.894 4.803 1.00 24.22 N ATOM 570 CA ASP A 34 -11.814 -9.477 4.957 1.00 1.01 C ATOM 571 C ASP A 34 -11.937 -8.040 5.533 1.00 41.33 C ATOM 572 O ASP A 34 -10.989 -7.502 6.123 1.00 50.03 O ATOM 573 CB ASP A 34 -12.540 -10.521 5.859 1.00 63.31 C ATOM 574 CG ASP A 34 -14.045 -10.248 6.050 1.00 51.45 C ATOM 575 OD1 ASP A 34 -14.811 -10.378 5.071 1.00 50.23 O ATOM 576 OD2 ASP A 34 -14.461 -9.866 7.159 1.00 42.40 O ATOM 0 H ASP A 34 -9.881 -9.905 5.682 1.00 24.22 H new ATOM 0 HA ASP A 34 -12.289 -9.448 3.976 1.00 1.01 H new ATOM 0 HB2 ASP A 34 -12.414 -11.512 5.423 1.00 63.31 H new ATOM 0 HB3 ASP A 34 -12.058 -10.539 6.836 1.00 63.31 H new ATOM 581 N SER A 35 -13.137 -7.451 5.337 1.00 20.45 N ATOM 582 CA SER A 35 -13.505 -6.083 5.758 1.00 61.22 C ATOM 583 C SER A 35 -13.565 -5.908 7.288 1.00 42.34 C ATOM 584 O SER A 35 -13.344 -4.797 7.794 1.00 25.34 O ATOM 585 CB SER A 35 -14.866 -5.720 5.125 1.00 12.24 C ATOM 586 OG SER A 35 -15.815 -6.760 5.312 1.00 42.13 O ATOM 0 H SER A 35 -13.902 -7.933 4.865 1.00 20.45 H new ATOM 0 HA SER A 35 -12.722 -5.410 5.410 1.00 61.22 H new ATOM 0 HB2 SER A 35 -15.242 -4.798 5.569 1.00 12.24 H new ATOM 0 HB3 SER A 35 -14.735 -5.531 4.059 1.00 12.24 H new ATOM 0 HG SER A 35 -16.667 -6.502 4.903 1.00 42.13 H new ATOM 592 N ASP A 36 -13.893 -6.987 8.025 1.00 42.23 N ATOM 593 CA ASP A 36 -13.851 -6.971 9.507 1.00 62.40 C ATOM 594 C ASP A 36 -12.404 -6.820 9.996 1.00 22.14 C ATOM 595 O ASP A 36 -12.142 -6.075 10.938 1.00 25.23 O ATOM 596 CB ASP A 36 -14.512 -8.229 10.137 1.00 2.13 C ATOM 597 CG ASP A 36 -16.047 -8.160 10.142 1.00 60.54 C ATOM 598 OD1 ASP A 36 -16.679 -8.524 9.138 1.00 2.52 O ATOM 599 OD2 ASP A 36 -16.629 -7.713 11.151 1.00 10.43 O ATOM 0 H ASP A 36 -14.189 -7.877 7.625 1.00 42.23 H new ATOM 0 HA ASP A 36 -14.434 -6.111 9.836 1.00 62.40 H new ATOM 0 HB2 ASP A 36 -14.195 -9.114 9.586 1.00 2.13 H new ATOM 0 HB3 ASP A 36 -14.155 -8.346 11.160 1.00 2.13 H new ATOM 604 N GLU A 37 -11.465 -7.506 9.328 1.00 41.34 N ATOM 605 CA GLU A 37 -10.025 -7.389 9.638 1.00 50.15 C ATOM 606 C GLU A 37 -9.520 -5.974 9.320 1.00 1.23 C ATOM 607 O GLU A 37 -8.672 -5.443 10.040 1.00 14.23 O ATOM 608 CB GLU A 37 -9.213 -8.444 8.861 1.00 51.43 C ATOM 609 CG GLU A 37 -9.630 -9.884 9.176 1.00 50.33 C ATOM 610 CD GLU A 37 -8.770 -10.914 8.448 1.00 63.52 C ATOM 611 OE1 GLU A 37 -8.808 -10.934 7.212 1.00 52.22 O ATOM 612 OE2 GLU A 37 -8.082 -11.717 9.103 1.00 45.13 O ATOM 0 H GLU A 37 -11.674 -8.151 8.566 1.00 41.34 H new ATOM 0 HA GLU A 37 -9.887 -7.572 10.704 1.00 50.15 H new ATOM 0 HB2 GLU A 37 -9.328 -8.266 7.792 1.00 51.43 H new ATOM 0 HB3 GLU A 37 -8.155 -8.321 9.093 1.00 51.43 H new ATOM 0 HG2 GLU A 37 -9.561 -10.052 10.251 1.00 50.33 H new ATOM 0 HG3 GLU A 37 -10.674 -10.026 8.898 1.00 50.33 H new ATOM 619 N LEU A 38 -10.093 -5.375 8.254 1.00 75.13 N ATOM 620 CA LEU A 38 -9.788 -3.998 7.842 1.00 42.24 C ATOM 621 C LEU A 38 -10.116 -3.005 8.973 1.00 52.34 C ATOM 622 O LEU A 38 -9.260 -2.241 9.394 1.00 61.21 O ATOM 623 CB LEU A 38 -10.572 -3.610 6.565 1.00 50.11 C ATOM 624 CG LEU A 38 -10.333 -2.154 6.043 1.00 62.42 C ATOM 625 CD1 LEU A 38 -8.893 -1.977 5.520 1.00 23.11 C ATOM 626 CD2 LEU A 38 -11.395 -1.752 4.997 1.00 44.30 C ATOM 0 H LEU A 38 -10.780 -5.837 7.658 1.00 75.13 H new ATOM 0 HA LEU A 38 -8.721 -3.950 7.624 1.00 42.24 H new ATOM 0 HB2 LEU A 38 -10.309 -4.309 5.772 1.00 50.11 H new ATOM 0 HB3 LEU A 38 -11.637 -3.737 6.761 1.00 50.11 H new ATOM 0 HG LEU A 38 -10.448 -1.470 6.884 1.00 62.42 H new ATOM 0 HD11 LEU A 38 -8.758 -0.956 5.164 1.00 23.11 H new ATOM 0 HD12 LEU A 38 -8.186 -2.177 6.325 1.00 23.11 H new ATOM 0 HD13 LEU A 38 -8.716 -2.673 4.700 1.00 23.11 H new ATOM 0 HD21 LEU A 38 -11.201 -0.736 4.654 1.00 44.30 H new ATOM 0 HD22 LEU A 38 -11.348 -2.436 4.150 1.00 44.30 H new ATOM 0 HD23 LEU A 38 -12.386 -1.800 5.448 1.00 44.30 H new ATOM 638 N LYS A 39 -11.362 -3.044 9.481 1.00 12.15 N ATOM 639 CA LYS A 39 -11.802 -2.094 10.522 1.00 34.13 C ATOM 640 C LYS A 39 -11.034 -2.312 11.849 1.00 15.51 C ATOM 641 O LYS A 39 -10.702 -1.344 12.549 1.00 63.42 O ATOM 642 CB LYS A 39 -13.360 -2.121 10.679 1.00 43.44 C ATOM 643 CG LYS A 39 -14.015 -3.471 11.061 1.00 33.23 C ATOM 644 CD LYS A 39 -14.045 -3.749 12.584 1.00 10.44 C ATOM 645 CE LYS A 39 -14.658 -5.114 12.920 1.00 21.14 C ATOM 646 NZ LYS A 39 -16.077 -5.215 12.521 1.00 24.24 N ATOM 0 H LYS A 39 -12.075 -3.714 9.192 1.00 12.15 H new ATOM 0 HA LYS A 39 -11.549 -1.083 10.204 1.00 34.13 H new ATOM 0 HB2 LYS A 39 -13.635 -1.387 11.437 1.00 43.44 H new ATOM 0 HB3 LYS A 39 -13.799 -1.788 9.739 1.00 43.44 H new ATOM 0 HG2 LYS A 39 -15.036 -3.489 10.679 1.00 33.23 H new ATOM 0 HG3 LYS A 39 -13.475 -4.278 10.566 1.00 33.23 H new ATOM 0 HD2 LYS A 39 -13.030 -3.703 12.978 1.00 10.44 H new ATOM 0 HD3 LYS A 39 -14.616 -2.965 13.082 1.00 10.44 H new ATOM 0 HE2 LYS A 39 -14.088 -5.897 12.420 1.00 21.14 H new ATOM 0 HE3 LYS A 39 -14.573 -5.292 13.992 1.00 21.14 H new ATOM 0 HZ1 LYS A 39 -16.668 -5.337 13.368 1.00 24.24 H new ATOM 0 HZ2 LYS A 39 -16.360 -4.347 12.023 1.00 24.24 H new ATOM 0 HZ3 LYS A 39 -16.203 -6.032 11.890 1.00 24.24 H new ATOM 660 N LYS A 40 -10.690 -3.588 12.138 1.00 12.23 N ATOM 661 CA LYS A 40 -9.911 -3.954 13.340 1.00 3.22 C ATOM 662 C LYS A 40 -8.498 -3.349 13.301 1.00 33.30 C ATOM 663 O LYS A 40 -8.040 -2.786 14.304 1.00 12.33 O ATOM 664 CB LYS A 40 -9.823 -5.496 13.503 1.00 61.25 C ATOM 665 CG LYS A 40 -11.158 -6.184 13.871 1.00 53.55 C ATOM 666 CD LYS A 40 -11.704 -5.783 15.267 1.00 11.04 C ATOM 667 CE LYS A 40 -10.833 -6.306 16.425 1.00 64.40 C ATOM 668 NZ LYS A 40 -10.769 -7.793 16.468 1.00 64.05 N ATOM 0 H LYS A 40 -10.942 -4.383 11.551 1.00 12.23 H new ATOM 0 HA LYS A 40 -10.437 -3.541 14.201 1.00 3.22 H new ATOM 0 HB2 LYS A 40 -9.453 -5.926 12.572 1.00 61.25 H new ATOM 0 HB3 LYS A 40 -9.087 -5.725 14.274 1.00 61.25 H new ATOM 0 HG2 LYS A 40 -11.904 -5.938 13.115 1.00 53.55 H new ATOM 0 HG3 LYS A 40 -11.019 -7.265 13.842 1.00 53.55 H new ATOM 0 HD2 LYS A 40 -11.767 -4.697 15.328 1.00 11.04 H new ATOM 0 HD3 LYS A 40 -12.718 -6.168 15.379 1.00 11.04 H new ATOM 0 HE2 LYS A 40 -9.824 -5.905 16.325 1.00 64.40 H new ATOM 0 HE3 LYS A 40 -11.231 -5.936 17.370 1.00 64.40 H new ATOM 0 HZ1 LYS A 40 -10.301 -8.095 17.346 1.00 64.05 H new ATOM 0 HZ2 LYS A 40 -11.733 -8.183 16.437 1.00 64.05 H new ATOM 0 HZ3 LYS A 40 -10.228 -8.141 15.651 1.00 64.05 H new ATOM 682 N GLU A 41 -7.816 -3.451 12.141 1.00 45.14 N ATOM 683 CA GLU A 41 -6.457 -2.912 11.999 1.00 62.33 C ATOM 684 C GLU A 41 -6.498 -1.378 11.996 1.00 35.41 C ATOM 685 O GLU A 41 -5.591 -0.757 12.506 1.00 41.04 O ATOM 686 CB GLU A 41 -5.751 -3.450 10.723 1.00 3.51 C ATOM 687 CG GLU A 41 -6.220 -2.822 9.393 1.00 73.33 C ATOM 688 CD GLU A 41 -5.830 -3.628 8.156 1.00 13.41 C ATOM 689 OE1 GLU A 41 -6.526 -4.629 7.871 1.00 5.41 O ATOM 690 OE2 GLU A 41 -4.816 -3.303 7.497 1.00 70.42 O ATOM 0 H GLU A 41 -8.183 -3.897 11.301 1.00 45.14 H new ATOM 0 HA GLU A 41 -5.871 -3.249 12.854 1.00 62.33 H new ATOM 0 HB2 GLU A 41 -4.678 -3.285 10.825 1.00 3.51 H new ATOM 0 HB3 GLU A 41 -5.904 -4.528 10.670 1.00 3.51 H new ATOM 0 HG2 GLU A 41 -7.304 -2.713 9.417 1.00 73.33 H new ATOM 0 HG3 GLU A 41 -5.801 -1.819 9.308 1.00 73.33 H new ATOM 697 N MET A 42 -7.587 -0.782 11.452 1.00 41.24 N ATOM 698 CA MET A 42 -7.741 0.687 11.391 1.00 75.30 C ATOM 699 C MET A 42 -7.873 1.300 12.793 1.00 73.12 C ATOM 700 O MET A 42 -7.466 2.447 13.009 1.00 34.32 O ATOM 701 CB MET A 42 -8.927 1.111 10.490 1.00 72.25 C ATOM 702 CG MET A 42 -8.700 0.811 8.997 1.00 43.43 C ATOM 703 SD MET A 42 -7.082 1.367 8.408 1.00 4.03 S ATOM 704 CE MET A 42 -7.138 3.135 8.678 1.00 10.43 C ATOM 0 H MET A 42 -8.370 -1.298 11.050 1.00 41.24 H new ATOM 0 HA MET A 42 -6.830 1.078 10.937 1.00 75.30 H new ATOM 0 HB2 MET A 42 -9.828 0.597 10.823 1.00 72.25 H new ATOM 0 HB3 MET A 42 -9.105 2.179 10.615 1.00 72.25 H new ATOM 0 HG2 MET A 42 -8.794 -0.262 8.828 1.00 43.43 H new ATOM 0 HG3 MET A 42 -9.481 1.295 8.411 1.00 43.43 H new ATOM 0 HE1 MET A 42 -6.152 3.488 8.980 1.00 10.43 H new ATOM 0 HE2 MET A 42 -7.436 3.635 7.756 1.00 10.43 H new ATOM 0 HE3 MET A 42 -7.860 3.361 9.463 1.00 10.43 H new ATOM 714 N LYS A 43 -8.443 0.517 13.736 1.00 4.23 N ATOM 715 CA LYS A 43 -8.422 0.854 15.176 1.00 73.52 C ATOM 716 C LYS A 43 -6.966 0.934 15.663 1.00 22.43 C ATOM 717 O LYS A 43 -6.547 1.944 16.222 1.00 45.50 O ATOM 718 CB LYS A 43 -9.252 -0.191 16.007 1.00 22.10 C ATOM 719 CG LYS A 43 -10.740 0.175 16.315 1.00 54.33 C ATOM 720 CD LYS A 43 -11.673 0.340 15.081 1.00 72.02 C ATOM 721 CE LYS A 43 -11.592 1.727 14.409 1.00 41.14 C ATOM 722 NZ LYS A 43 -12.514 1.840 13.254 1.00 64.14 N ATOM 0 H LYS A 43 -8.925 -0.356 13.523 1.00 4.23 H new ATOM 0 HA LYS A 43 -8.891 1.827 15.324 1.00 73.52 H new ATOM 0 HB2 LYS A 43 -9.240 -1.139 15.469 1.00 22.10 H new ATOM 0 HB3 LYS A 43 -8.739 -0.355 16.955 1.00 22.10 H new ATOM 0 HG2 LYS A 43 -11.157 -0.598 16.960 1.00 54.33 H new ATOM 0 HG3 LYS A 43 -10.754 1.105 16.883 1.00 54.33 H new ATOM 0 HD2 LYS A 43 -11.422 -0.423 14.345 1.00 72.02 H new ATOM 0 HD3 LYS A 43 -12.702 0.158 15.391 1.00 72.02 H new ATOM 0 HE2 LYS A 43 -11.831 2.499 15.141 1.00 41.14 H new ATOM 0 HE3 LYS A 43 -10.570 1.909 14.076 1.00 41.14 H new ATOM 0 HZ1 LYS A 43 -12.428 2.787 12.832 1.00 64.14 H new ATOM 0 HZ2 LYS A 43 -12.270 1.121 12.543 1.00 64.14 H new ATOM 0 HZ3 LYS A 43 -13.492 1.692 13.575 1.00 64.14 H new ATOM 736 N LYS A 44 -6.191 -0.122 15.344 1.00 60.00 N ATOM 737 CA LYS A 44 -4.777 -0.259 15.760 1.00 1.54 C ATOM 738 C LYS A 44 -3.888 0.848 15.153 1.00 12.44 C ATOM 739 O LYS A 44 -3.008 1.365 15.822 1.00 35.13 O ATOM 740 CB LYS A 44 -4.239 -1.661 15.351 1.00 33.30 C ATOM 741 CG LYS A 44 -4.995 -2.844 15.999 1.00 1.52 C ATOM 742 CD LYS A 44 -4.842 -2.891 17.539 1.00 63.34 C ATOM 743 CE LYS A 44 -3.392 -3.154 17.976 1.00 35.33 C ATOM 744 NZ LYS A 44 -3.233 -3.088 19.449 1.00 1.34 N ATOM 0 H LYS A 44 -6.528 -0.908 14.788 1.00 60.00 H new ATOM 0 HA LYS A 44 -4.738 -0.153 16.844 1.00 1.54 H new ATOM 0 HB2 LYS A 44 -4.297 -1.758 14.267 1.00 33.30 H new ATOM 0 HB3 LYS A 44 -3.185 -1.726 15.621 1.00 33.30 H new ATOM 0 HG2 LYS A 44 -6.053 -2.773 15.747 1.00 1.52 H new ATOM 0 HG3 LYS A 44 -4.628 -3.778 15.575 1.00 1.52 H new ATOM 0 HD2 LYS A 44 -5.181 -1.946 17.964 1.00 63.34 H new ATOM 0 HD3 LYS A 44 -5.487 -3.672 17.942 1.00 63.34 H new ATOM 0 HE2 LYS A 44 -3.079 -4.136 17.622 1.00 35.33 H new ATOM 0 HE3 LYS A 44 -2.734 -2.422 17.508 1.00 35.33 H new ATOM 0 HZ1 LYS A 44 -2.240 -3.271 19.700 1.00 1.34 H new ATOM 0 HZ2 LYS A 44 -3.506 -2.143 19.786 1.00 1.34 H new ATOM 0 HZ3 LYS A 44 -3.841 -3.804 19.896 1.00 1.34 H new ATOM 758 N LEU A 45 -4.171 1.217 13.890 1.00 33.10 N ATOM 759 CA LEU A 45 -3.390 2.214 13.124 1.00 61.40 C ATOM 760 C LEU A 45 -3.719 3.637 13.608 1.00 21.25 C ATOM 761 O LEU A 45 -2.869 4.531 13.546 1.00 71.43 O ATOM 762 CB LEU A 45 -3.683 2.066 11.597 1.00 55.14 C ATOM 763 CG LEU A 45 -3.332 0.676 10.961 1.00 43.22 C ATOM 764 CD1 LEU A 45 -3.843 0.575 9.504 1.00 12.14 C ATOM 765 CD2 LEU A 45 -1.818 0.362 11.068 1.00 22.04 C ATOM 0 H LEU A 45 -4.955 0.830 13.365 1.00 33.10 H new ATOM 0 HA LEU A 45 -2.328 2.035 13.290 1.00 61.40 H new ATOM 0 HB2 LEU A 45 -4.742 2.263 11.430 1.00 55.14 H new ATOM 0 HB3 LEU A 45 -3.127 2.838 11.064 1.00 55.14 H new ATOM 0 HG LEU A 45 -3.854 -0.088 11.538 1.00 43.22 H new ATOM 0 HD11 LEU A 45 -3.583 -0.401 9.094 1.00 12.14 H new ATOM 0 HD12 LEU A 45 -4.926 0.698 9.489 1.00 12.14 H new ATOM 0 HD13 LEU A 45 -3.381 1.357 8.901 1.00 12.14 H new ATOM 0 HD21 LEU A 45 -1.615 -0.609 10.616 1.00 22.04 H new ATOM 0 HD22 LEU A 45 -1.249 1.131 10.546 1.00 22.04 H new ATOM 0 HD23 LEU A 45 -1.524 0.343 12.117 1.00 22.04 H new ATOM 777 N ALA A 46 -4.972 3.824 14.082 1.00 40.13 N ATOM 778 CA ALA A 46 -5.445 5.098 14.664 1.00 32.44 C ATOM 779 C ALA A 46 -4.792 5.357 16.029 1.00 34.14 C ATOM 780 O ALA A 46 -4.393 6.489 16.340 1.00 44.22 O ATOM 781 CB ALA A 46 -6.978 5.087 14.806 1.00 73.51 C ATOM 0 H ALA A 46 -5.684 3.093 14.071 1.00 40.13 H new ATOM 0 HA ALA A 46 -5.157 5.903 13.988 1.00 32.44 H new ATOM 0 HB1 ALA A 46 -7.310 6.032 15.236 1.00 73.51 H new ATOM 0 HB2 ALA A 46 -7.433 4.955 13.825 1.00 73.51 H new ATOM 0 HB3 ALA A 46 -7.277 4.267 15.458 1.00 73.51 H new ATOM 787 N GLU A 47 -4.701 4.283 16.828 1.00 3.12 N ATOM 788 CA GLU A 47 -4.125 4.318 18.180 1.00 14.42 C ATOM 789 C GLU A 47 -2.596 4.443 18.127 1.00 4.43 C ATOM 790 O GLU A 47 -2.000 5.223 18.884 1.00 71.04 O ATOM 791 CB GLU A 47 -4.524 3.034 18.956 1.00 52.11 C ATOM 792 CG GLU A 47 -6.036 2.881 19.195 1.00 41.41 C ATOM 793 CD GLU A 47 -6.391 1.569 19.905 1.00 13.51 C ATOM 794 OE1 GLU A 47 -6.513 0.528 19.223 1.00 31.34 O ATOM 795 OE2 GLU A 47 -6.524 1.564 21.153 1.00 32.40 O ATOM 0 H GLU A 47 -5.028 3.358 16.551 1.00 3.12 H new ATOM 0 HA GLU A 47 -4.520 5.193 18.697 1.00 14.42 H new ATOM 0 HB2 GLU A 47 -4.166 2.165 18.405 1.00 52.11 H new ATOM 0 HB3 GLU A 47 -4.014 3.033 19.919 1.00 52.11 H new ATOM 0 HG2 GLU A 47 -6.393 3.721 19.792 1.00 41.41 H new ATOM 0 HG3 GLU A 47 -6.558 2.925 18.239 1.00 41.41 H new ATOM 802 N GLU A 48 -1.972 3.677 17.216 1.00 5.23 N ATOM 803 CA GLU A 48 -0.513 3.530 17.167 1.00 21.45 C ATOM 804 C GLU A 48 0.124 4.739 16.458 1.00 53.33 C ATOM 805 O GLU A 48 0.376 4.724 15.245 1.00 42.10 O ATOM 806 CB GLU A 48 -0.107 2.179 16.499 1.00 14.12 C ATOM 807 CG GLU A 48 1.255 1.625 16.961 1.00 43.43 C ATOM 808 CD GLU A 48 1.286 1.309 18.464 1.00 74.13 C ATOM 809 OE1 GLU A 48 0.820 0.222 18.863 1.00 55.14 O ATOM 810 OE2 GLU A 48 1.754 2.149 19.258 1.00 1.51 O ATOM 0 H GLU A 48 -2.465 3.146 16.498 1.00 5.23 H new ATOM 0 HA GLU A 48 -0.131 3.506 18.187 1.00 21.45 H new ATOM 0 HB2 GLU A 48 -0.878 1.437 16.710 1.00 14.12 H new ATOM 0 HB3 GLU A 48 -0.082 2.315 15.418 1.00 14.12 H new ATOM 0 HG2 GLU A 48 1.484 0.720 16.399 1.00 43.43 H new ATOM 0 HG3 GLU A 48 2.035 2.350 16.730 1.00 43.43 H new ATOM 817 N LYS A 49 0.338 5.795 17.254 1.00 13.23 N ATOM 818 CA LYS A 49 0.975 7.055 16.822 1.00 44.51 C ATOM 819 C LYS A 49 2.499 6.884 16.612 1.00 51.03 C ATOM 820 O LYS A 49 3.163 7.798 16.101 1.00 41.15 O ATOM 821 CB LYS A 49 0.715 8.149 17.893 1.00 2.22 C ATOM 822 CG LYS A 49 1.249 7.786 19.299 1.00 5.14 C ATOM 823 CD LYS A 49 1.003 8.891 20.350 1.00 22.52 C ATOM 824 CE LYS A 49 1.450 8.461 21.759 1.00 2.25 C ATOM 825 NZ LYS A 49 1.165 9.503 22.774 1.00 24.24 N ATOM 0 H LYS A 49 0.069 5.801 18.238 1.00 13.23 H new ATOM 0 HA LYS A 49 0.540 7.348 15.867 1.00 44.51 H new ATOM 0 HB2 LYS A 49 1.179 9.080 17.568 1.00 2.22 H new ATOM 0 HB3 LYS A 49 -0.357 8.333 17.958 1.00 2.22 H new ATOM 0 HG2 LYS A 49 0.774 6.864 19.634 1.00 5.14 H new ATOM 0 HG3 LYS A 49 2.319 7.588 19.234 1.00 5.14 H new ATOM 0 HD2 LYS A 49 1.541 9.793 20.059 1.00 22.52 H new ATOM 0 HD3 LYS A 49 -0.057 9.144 20.368 1.00 22.52 H new ATOM 0 HE2 LYS A 49 0.941 7.537 22.035 1.00 2.25 H new ATOM 0 HE3 LYS A 49 2.519 8.246 21.750 1.00 2.25 H new ATOM 0 HZ1 LYS A 49 1.481 9.173 23.708 1.00 24.24 H new ATOM 0 HZ2 LYS A 49 1.671 10.377 22.526 1.00 24.24 H new ATOM 0 HZ3 LYS A 49 0.142 9.691 22.801 1.00 24.24 H new ATOM 839 N ASN A 50 3.024 5.718 17.062 1.00 50.21 N ATOM 840 CA ASN A 50 4.444 5.341 16.943 1.00 55.14 C ATOM 841 C ASN A 50 4.907 5.374 15.488 1.00 32.14 C ATOM 842 O ASN A 50 4.242 4.814 14.600 1.00 45.42 O ATOM 843 CB ASN A 50 4.695 3.925 17.537 1.00 34.44 C ATOM 844 CG ASN A 50 4.596 3.862 19.062 1.00 12.10 C ATOM 845 OD1 ASN A 50 3.879 4.638 19.696 1.00 53.31 O ATOM 846 ND2 ASN A 50 5.318 2.926 19.658 1.00 13.33 N ATOM 0 H ASN A 50 2.459 5.006 17.524 1.00 50.21 H new ATOM 0 HA ASN A 50 5.021 6.072 17.510 1.00 55.14 H new ATOM 0 HB2 ASN A 50 3.974 3.229 17.108 1.00 34.44 H new ATOM 0 HB3 ASN A 50 5.685 3.585 17.233 1.00 34.44 H new ATOM 0 HD21 ASN A 50 5.291 2.831 20.673 1.00 13.33 H new ATOM 0 HD22 ASN A 50 5.901 2.300 19.102 1.00 13.33 H new ATOM 853 N PHE A 51 6.045 6.049 15.272 1.00 34.42 N ATOM 854 CA PHE A 51 6.682 6.168 13.962 1.00 51.33 C ATOM 855 C PHE A 51 7.201 4.781 13.530 1.00 0.24 C ATOM 856 O PHE A 51 8.294 4.351 13.920 1.00 60.34 O ATOM 857 CB PHE A 51 7.815 7.231 14.035 1.00 45.12 C ATOM 858 CG PHE A 51 8.331 7.719 12.681 1.00 62.12 C ATOM 859 CD1 PHE A 51 9.184 6.935 11.912 1.00 4.12 C ATOM 860 CD2 PHE A 51 7.961 8.966 12.181 1.00 2.12 C ATOM 861 CE1 PHE A 51 9.643 7.375 10.691 1.00 5.51 C ATOM 862 CE2 PHE A 51 8.424 9.405 10.957 1.00 24.13 C ATOM 863 CZ PHE A 51 9.263 8.607 10.213 1.00 73.43 C ATOM 0 H PHE A 51 6.551 6.532 16.014 1.00 34.42 H new ATOM 0 HA PHE A 51 5.969 6.505 13.210 1.00 51.33 H new ATOM 0 HB2 PHE A 51 7.451 8.090 14.599 1.00 45.12 H new ATOM 0 HB3 PHE A 51 8.650 6.812 14.596 1.00 45.12 H new ATOM 0 HD1 PHE A 51 9.491 5.966 12.278 1.00 4.12 H new ATOM 0 HD2 PHE A 51 7.303 9.598 12.759 1.00 2.12 H new ATOM 0 HE1 PHE A 51 10.303 6.751 10.107 1.00 5.51 H new ATOM 0 HE2 PHE A 51 8.128 10.374 10.583 1.00 24.13 H new ATOM 0 HZ PHE A 51 9.623 8.948 9.254 1.00 73.43 H new ATOM 873 N GLU A 52 6.375 4.079 12.748 1.00 15.13 N ATOM 874 CA GLU A 52 6.607 2.682 12.370 1.00 24.43 C ATOM 875 C GLU A 52 6.194 2.468 10.913 1.00 12.34 C ATOM 876 O GLU A 52 5.219 3.059 10.441 1.00 15.51 O ATOM 877 CB GLU A 52 5.805 1.762 13.329 1.00 31.41 C ATOM 878 CG GLU A 52 5.832 0.256 12.991 1.00 73.04 C ATOM 879 CD GLU A 52 5.046 -0.602 13.992 1.00 52.44 C ATOM 880 OE1 GLU A 52 3.852 -0.303 14.234 1.00 32.11 O ATOM 881 OE2 GLU A 52 5.614 -1.560 14.563 1.00 33.34 O ATOM 0 H GLU A 52 5.518 4.469 12.356 1.00 15.13 H new ATOM 0 HA GLU A 52 7.665 2.435 12.456 1.00 24.43 H new ATOM 0 HB2 GLU A 52 6.192 1.896 14.339 1.00 31.41 H new ATOM 0 HB3 GLU A 52 4.767 2.095 13.339 1.00 31.41 H new ATOM 0 HG2 GLU A 52 5.421 0.107 11.993 1.00 73.04 H new ATOM 0 HG3 GLU A 52 6.867 -0.085 12.964 1.00 73.04 H new ATOM 888 N LYS A 53 6.957 1.625 10.211 1.00 62.12 N ATOM 889 CA LYS A 53 6.758 1.353 8.788 1.00 44.14 C ATOM 890 C LYS A 53 6.089 -0.017 8.635 1.00 63.21 C ATOM 891 O LYS A 53 6.674 -1.044 8.987 1.00 41.24 O ATOM 892 CB LYS A 53 8.102 1.403 8.013 1.00 71.10 C ATOM 893 CG LYS A 53 8.946 2.692 8.213 1.00 62.35 C ATOM 894 CD LYS A 53 9.786 2.682 9.518 1.00 44.31 C ATOM 895 CE LYS A 53 10.960 1.685 9.485 1.00 0.43 C ATOM 896 NZ LYS A 53 11.948 2.029 8.432 1.00 23.55 N ATOM 0 H LYS A 53 7.736 1.109 10.620 1.00 62.12 H new ATOM 0 HA LYS A 53 6.114 2.123 8.362 1.00 44.14 H new ATOM 0 HB2 LYS A 53 8.705 0.546 8.312 1.00 71.10 H new ATOM 0 HB3 LYS A 53 7.892 1.290 6.950 1.00 71.10 H new ATOM 0 HG2 LYS A 53 9.614 2.816 7.361 1.00 62.35 H new ATOM 0 HG3 LYS A 53 8.280 3.555 8.225 1.00 62.35 H new ATOM 0 HD2 LYS A 53 10.176 3.684 9.698 1.00 44.31 H new ATOM 0 HD3 LYS A 53 9.135 2.438 10.358 1.00 44.31 H new ATOM 0 HE2 LYS A 53 11.454 1.673 10.457 1.00 0.43 H new ATOM 0 HE3 LYS A 53 10.578 0.679 9.310 1.00 0.43 H new ATOM 0 HZ1 LYS A 53 12.668 1.281 8.374 1.00 23.55 H new ATOM 0 HZ2 LYS A 53 11.463 2.115 7.516 1.00 23.55 H new ATOM 0 HZ3 LYS A 53 12.406 2.932 8.668 1.00 23.55 H new ATOM 910 N ILE A 54 4.850 -0.021 8.133 1.00 50.20 N ATOM 911 CA ILE A 54 4.038 -1.238 7.993 1.00 54.14 C ATOM 912 C ILE A 54 3.627 -1.428 6.525 1.00 61.41 C ATOM 913 O ILE A 54 3.095 -0.506 5.898 1.00 2.22 O ATOM 914 CB ILE A 54 2.756 -1.194 8.919 1.00 71.41 C ATOM 915 CG1 ILE A 54 3.168 -1.058 10.424 1.00 3.31 C ATOM 916 CG2 ILE A 54 1.857 -2.443 8.698 1.00 72.31 C ATOM 917 CD1 ILE A 54 2.008 -1.061 11.405 1.00 32.32 C ATOM 0 H ILE A 54 4.378 0.824 7.810 1.00 50.20 H new ATOM 0 HA ILE A 54 4.646 -2.085 8.311 1.00 54.14 H new ATOM 0 HB ILE A 54 2.172 -0.316 8.644 1.00 71.41 H new ATOM 0 HG12 ILE A 54 3.842 -1.877 10.677 1.00 3.31 H new ATOM 0 HG13 ILE A 54 3.730 -0.132 10.550 1.00 3.31 H new ATOM 0 HG21 ILE A 54 0.985 -2.383 9.349 1.00 72.31 H new ATOM 0 HG22 ILE A 54 1.532 -2.478 7.658 1.00 72.31 H new ATOM 0 HG23 ILE A 54 2.423 -3.345 8.932 1.00 72.31 H new ATOM 0 HD11 ILE A 54 2.390 -0.963 12.421 1.00 32.32 H new ATOM 0 HD12 ILE A 54 1.343 -0.226 11.185 1.00 32.32 H new ATOM 0 HD13 ILE A 54 1.457 -1.997 11.314 1.00 32.32 H new ATOM 929 N LEU A 55 3.903 -2.624 5.981 1.00 73.10 N ATOM 930 CA LEU A 55 3.415 -3.033 4.668 1.00 4.45 C ATOM 931 C LEU A 55 2.057 -3.719 4.855 1.00 30.25 C ATOM 932 O LEU A 55 1.975 -4.763 5.518 1.00 50.04 O ATOM 933 CB LEU A 55 4.396 -4.021 3.984 1.00 53.45 C ATOM 934 CG LEU A 55 4.110 -4.289 2.467 1.00 70.33 C ATOM 935 CD1 LEU A 55 4.599 -3.105 1.614 1.00 13.55 C ATOM 936 CD2 LEU A 55 4.701 -5.632 1.981 1.00 51.42 C ATOM 0 H LEU A 55 4.473 -3.331 6.446 1.00 73.10 H new ATOM 0 HA LEU A 55 3.326 -2.152 4.032 1.00 4.45 H new ATOM 0 HB2 LEU A 55 5.409 -3.632 4.085 1.00 53.45 H new ATOM 0 HB3 LEU A 55 4.364 -4.971 4.518 1.00 53.45 H new ATOM 0 HG LEU A 55 3.030 -4.376 2.345 1.00 70.33 H new ATOM 0 HD11 LEU A 55 4.394 -3.305 0.562 1.00 13.55 H new ATOM 0 HD12 LEU A 55 4.078 -2.197 1.919 1.00 13.55 H new ATOM 0 HD13 LEU A 55 5.672 -2.973 1.756 1.00 13.55 H new ATOM 0 HD21 LEU A 55 4.474 -5.768 0.924 1.00 51.42 H new ATOM 0 HD22 LEU A 55 5.782 -5.626 2.122 1.00 51.42 H new ATOM 0 HD23 LEU A 55 4.265 -6.450 2.554 1.00 51.42 H new ATOM 948 N ILE A 56 0.996 -3.115 4.323 1.00 40.34 N ATOM 949 CA ILE A 56 -0.333 -3.725 4.315 1.00 32.45 C ATOM 950 C ILE A 56 -0.527 -4.478 2.986 1.00 42.24 C ATOM 951 O ILE A 56 -0.481 -3.883 1.900 1.00 32.21 O ATOM 952 CB ILE A 56 -1.475 -2.667 4.513 1.00 72.11 C ATOM 953 CG1 ILE A 56 -1.297 -1.874 5.857 1.00 62.53 C ATOM 954 CG2 ILE A 56 -2.869 -3.344 4.443 1.00 43.12 C ATOM 955 CD1 ILE A 56 -1.405 -2.718 7.121 1.00 24.02 C ATOM 0 H ILE A 56 1.032 -2.193 3.887 1.00 40.34 H new ATOM 0 HA ILE A 56 -0.396 -4.417 5.155 1.00 32.45 H new ATOM 0 HB ILE A 56 -1.406 -1.946 3.698 1.00 72.11 H new ATOM 0 HG12 ILE A 56 -0.323 -1.385 5.847 1.00 62.53 H new ATOM 0 HG13 ILE A 56 -2.049 -1.086 5.899 1.00 62.53 H new ATOM 0 HG21 ILE A 56 -3.646 -2.592 4.583 1.00 43.12 H new ATOM 0 HG22 ILE A 56 -2.994 -3.819 3.470 1.00 43.12 H new ATOM 0 HG23 ILE A 56 -2.948 -4.097 5.227 1.00 43.12 H new ATOM 0 HD11 ILE A 56 -1.268 -2.082 7.996 1.00 24.02 H new ATOM 0 HD12 ILE A 56 -2.388 -3.186 7.163 1.00 24.02 H new ATOM 0 HD13 ILE A 56 -0.636 -3.490 7.110 1.00 24.02 H new ATOM 967 N LYS A 57 -0.717 -5.788 3.101 1.00 14.31 N ATOM 968 CA LYS A 57 -0.993 -6.694 1.990 1.00 31.33 C ATOM 969 C LYS A 57 -2.518 -6.803 1.852 1.00 74.34 C ATOM 970 O LYS A 57 -3.188 -7.201 2.808 1.00 32.13 O ATOM 971 CB LYS A 57 -0.329 -8.070 2.318 1.00 32.01 C ATOM 972 CG LYS A 57 -0.502 -9.205 1.276 1.00 34.24 C ATOM 973 CD LYS A 57 -1.834 -9.987 1.364 1.00 70.53 C ATOM 974 CE LYS A 57 -1.865 -11.159 0.383 1.00 1.13 C ATOM 975 NZ LYS A 57 -3.139 -11.908 0.456 1.00 50.42 N ATOM 0 H LYS A 57 -0.682 -6.266 4.002 1.00 14.31 H new ATOM 0 HA LYS A 57 -0.585 -6.338 1.044 1.00 31.33 H new ATOM 0 HB2 LYS A 57 0.738 -7.904 2.463 1.00 32.01 H new ATOM 0 HB3 LYS A 57 -0.729 -8.420 3.269 1.00 32.01 H new ATOM 0 HG2 LYS A 57 -0.418 -8.775 0.278 1.00 34.24 H new ATOM 0 HG3 LYS A 57 0.322 -9.909 1.391 1.00 34.24 H new ATOM 0 HD2 LYS A 57 -1.972 -10.358 2.380 1.00 70.53 H new ATOM 0 HD3 LYS A 57 -2.666 -9.314 1.155 1.00 70.53 H new ATOM 0 HE2 LYS A 57 -1.721 -10.787 -0.631 1.00 1.13 H new ATOM 0 HE3 LYS A 57 -1.035 -11.833 0.597 1.00 1.13 H new ATOM 0 HZ1 LYS A 57 -2.995 -12.874 0.099 1.00 50.42 H new ATOM 0 HZ2 LYS A 57 -3.462 -11.948 1.444 1.00 50.42 H new ATOM 0 HZ3 LYS A 57 -3.857 -11.429 -0.124 1.00 50.42 H new ATOM 989 N SER A 58 -3.058 -6.449 0.676 1.00 54.13 N ATOM 990 CA SER A 58 -4.500 -6.534 0.409 1.00 75.12 C ATOM 991 C SER A 58 -4.739 -6.607 -1.107 1.00 64.22 C ATOM 992 O SER A 58 -4.433 -5.664 -1.836 1.00 13.10 O ATOM 993 CB SER A 58 -5.229 -5.315 1.033 1.00 31.40 C ATOM 994 OG SER A 58 -6.623 -5.329 0.757 1.00 62.52 O ATOM 0 H SER A 58 -2.511 -6.098 -0.111 1.00 54.13 H new ATOM 0 HA SER A 58 -4.904 -7.437 0.866 1.00 75.12 H new ATOM 0 HB2 SER A 58 -5.073 -5.313 2.112 1.00 31.40 H new ATOM 0 HB3 SER A 58 -4.792 -4.394 0.646 1.00 31.40 H new ATOM 0 HG SER A 58 -6.899 -6.237 0.511 1.00 62.52 H new ATOM 1000 N ASN A 59 -5.311 -7.738 -1.562 1.00 70.13 N ATOM 1001 CA ASN A 59 -5.607 -7.988 -2.993 1.00 60.14 C ATOM 1002 C ASN A 59 -6.936 -7.319 -3.401 1.00 34.34 C ATOM 1003 O ASN A 59 -7.218 -7.161 -4.593 1.00 22.25 O ATOM 1004 CB ASN A 59 -5.675 -9.514 -3.277 1.00 10.03 C ATOM 1005 CG ASN A 59 -4.411 -10.262 -2.847 1.00 73.34 C ATOM 1006 OD1 ASN A 59 -4.299 -10.665 -1.694 1.00 54.45 O ATOM 1007 ND2 ASN A 59 -3.450 -10.456 -3.750 1.00 23.12 N ATOM 0 H ASN A 59 -5.583 -8.507 -0.950 1.00 70.13 H new ATOM 0 HA ASN A 59 -4.801 -7.554 -3.585 1.00 60.14 H new ATOM 0 HB2 ASN A 59 -6.535 -9.936 -2.757 1.00 10.03 H new ATOM 0 HB3 ASN A 59 -5.839 -9.672 -4.343 1.00 10.03 H new ATOM 0 HD21 ASN A 59 -2.597 -10.950 -3.489 1.00 23.12 H new ATOM 0 HD22 ASN A 59 -3.568 -10.111 -4.703 1.00 23.12 H new ATOM 1014 N ASP A 60 -7.743 -6.927 -2.393 1.00 65.43 N ATOM 1015 CA ASP A 60 -9.078 -6.327 -2.593 1.00 25.52 C ATOM 1016 C ASP A 60 -8.986 -4.797 -2.490 1.00 51.15 C ATOM 1017 O ASP A 60 -8.866 -4.258 -1.389 1.00 50.44 O ATOM 1018 CB ASP A 60 -10.080 -6.881 -1.543 1.00 30.13 C ATOM 1019 CG ASP A 60 -10.275 -8.398 -1.671 1.00 74.21 C ATOM 1020 OD1 ASP A 60 -9.430 -9.159 -1.171 1.00 43.30 O ATOM 1021 OD2 ASP A 60 -11.262 -8.838 -2.293 1.00 25.24 O ATOM 0 H ASP A 60 -7.484 -7.019 -1.411 1.00 65.43 H new ATOM 0 HA ASP A 60 -9.439 -6.591 -3.587 1.00 25.52 H new ATOM 0 HB2 ASP A 60 -9.721 -6.646 -0.541 1.00 30.13 H new ATOM 0 HB3 ASP A 60 -11.041 -6.382 -1.662 1.00 30.13 H new ATOM 1026 N LYS A 61 -9.077 -4.118 -3.651 1.00 1.42 N ATOM 1027 CA LYS A 61 -8.856 -2.654 -3.788 1.00 23.43 C ATOM 1028 C LYS A 61 -9.842 -1.797 -2.963 1.00 61.25 C ATOM 1029 O LYS A 61 -9.510 -0.668 -2.580 1.00 75.23 O ATOM 1030 CB LYS A 61 -8.927 -2.251 -5.286 1.00 33.23 C ATOM 1031 CG LYS A 61 -10.300 -2.487 -5.958 1.00 24.24 C ATOM 1032 CD LYS A 61 -10.326 -2.025 -7.432 1.00 62.55 C ATOM 1033 CE LYS A 61 -11.696 -2.253 -8.090 1.00 25.30 C ATOM 1034 NZ LYS A 61 -12.086 -3.684 -8.106 1.00 2.42 N ATOM 0 H LYS A 61 -9.309 -4.572 -4.535 1.00 1.42 H new ATOM 0 HA LYS A 61 -7.864 -2.451 -3.385 1.00 23.43 H new ATOM 0 HB2 LYS A 61 -8.671 -1.195 -5.376 1.00 33.23 H new ATOM 0 HB3 LYS A 61 -8.169 -2.811 -5.834 1.00 33.23 H new ATOM 0 HG2 LYS A 61 -10.547 -3.547 -5.909 1.00 24.24 H new ATOM 0 HG3 LYS A 61 -11.070 -1.954 -5.400 1.00 24.24 H new ATOM 0 HD2 LYS A 61 -10.072 -0.966 -7.483 1.00 62.55 H new ATOM 0 HD3 LYS A 61 -9.562 -2.563 -7.993 1.00 62.55 H new ATOM 0 HE2 LYS A 61 -12.453 -1.679 -7.555 1.00 25.30 H new ATOM 0 HE3 LYS A 61 -11.672 -1.874 -9.112 1.00 25.30 H new ATOM 0 HZ1 LYS A 61 -12.938 -3.805 -8.690 1.00 2.42 H new ATOM 0 HZ2 LYS A 61 -11.310 -4.251 -8.503 1.00 2.42 H new ATOM 0 HZ3 LYS A 61 -12.284 -4.001 -7.135 1.00 2.42 H new ATOM 1048 N GLN A 62 -11.035 -2.356 -2.677 1.00 22.21 N ATOM 1049 CA GLN A 62 -12.104 -1.645 -1.938 1.00 11.11 C ATOM 1050 C GLN A 62 -11.681 -1.380 -0.485 1.00 55.45 C ATOM 1051 O GLN A 62 -11.975 -0.312 0.074 1.00 0.21 O ATOM 1052 CB GLN A 62 -13.433 -2.446 -1.982 1.00 71.11 C ATOM 1053 CG GLN A 62 -13.992 -2.628 -3.399 1.00 40.20 C ATOM 1054 CD GLN A 62 -15.306 -3.401 -3.436 1.00 22.34 C ATOM 1055 OE1 GLN A 62 -15.314 -4.628 -3.535 1.00 5.41 O ATOM 1056 NE2 GLN A 62 -16.427 -2.698 -3.337 1.00 41.12 N ATOM 0 H GLN A 62 -11.286 -3.307 -2.949 1.00 22.21 H new ATOM 0 HA GLN A 62 -12.268 -0.684 -2.426 1.00 11.11 H new ATOM 0 HB2 GLN A 62 -13.272 -3.427 -1.535 1.00 71.11 H new ATOM 0 HB3 GLN A 62 -14.176 -1.935 -1.370 1.00 71.11 H new ATOM 0 HG2 GLN A 62 -14.143 -1.648 -3.851 1.00 40.20 H new ATOM 0 HG3 GLN A 62 -13.254 -3.150 -4.009 1.00 40.20 H new ATOM 0 HE21 GLN A 62 -16.386 -1.682 -3.256 1.00 41.12 H new ATOM 0 HE22 GLN A 62 -17.329 -3.174 -3.342 1.00 41.12 H new ATOM 1065 N LEU A 63 -10.939 -2.356 0.085 1.00 35.21 N ATOM 1066 CA LEU A 63 -10.411 -2.283 1.458 1.00 34.15 C ATOM 1067 C LEU A 63 -9.457 -1.084 1.610 1.00 15.42 C ATOM 1068 O LEU A 63 -9.507 -0.367 2.607 1.00 65.33 O ATOM 1069 CB LEU A 63 -9.681 -3.605 1.854 1.00 61.30 C ATOM 1070 CG LEU A 63 -10.536 -4.911 1.800 1.00 23.12 C ATOM 1071 CD1 LEU A 63 -9.707 -6.138 2.243 1.00 45.32 C ATOM 1072 CD2 LEU A 63 -11.828 -4.776 2.638 1.00 15.32 C ATOM 0 H LEU A 63 -10.691 -3.218 -0.400 1.00 35.21 H new ATOM 0 HA LEU A 63 -11.257 -2.146 2.131 1.00 34.15 H new ATOM 0 HB2 LEU A 63 -8.821 -3.731 1.196 1.00 61.30 H new ATOM 0 HB3 LEU A 63 -9.293 -3.492 2.866 1.00 61.30 H new ATOM 0 HG LEU A 63 -10.834 -5.067 0.763 1.00 23.12 H new ATOM 0 HD11 LEU A 63 -10.328 -7.033 2.195 1.00 45.32 H new ATOM 0 HD12 LEU A 63 -8.849 -6.256 1.581 1.00 45.32 H new ATOM 0 HD13 LEU A 63 -9.359 -5.992 3.265 1.00 45.32 H new ATOM 0 HD21 LEU A 63 -12.399 -5.703 2.578 1.00 15.32 H new ATOM 0 HD22 LEU A 63 -11.568 -4.576 3.678 1.00 15.32 H new ATOM 0 HD23 LEU A 63 -12.429 -3.954 2.250 1.00 15.32 H new ATOM 1084 N LEU A 64 -8.625 -0.862 0.573 1.00 24.03 N ATOM 1085 CA LEU A 64 -7.620 0.222 0.555 1.00 24.32 C ATOM 1086 C LEU A 64 -8.291 1.603 0.457 1.00 11.14 C ATOM 1087 O LEU A 64 -7.786 2.568 1.032 1.00 53.52 O ATOM 1088 CB LEU A 64 -6.596 0.054 -0.601 1.00 55.44 C ATOM 1089 CG LEU A 64 -5.658 -1.196 -0.507 1.00 3.32 C ATOM 1090 CD1 LEU A 64 -6.380 -2.494 -0.882 1.00 30.41 C ATOM 1091 CD2 LEU A 64 -4.399 -1.014 -1.354 1.00 24.42 C ATOM 0 H LEU A 64 -8.630 -1.428 -0.275 1.00 24.03 H new ATOM 0 HA LEU A 64 -7.078 0.155 1.499 1.00 24.32 H new ATOM 0 HB2 LEU A 64 -7.144 0.003 -1.542 1.00 55.44 H new ATOM 0 HB3 LEU A 64 -5.974 0.948 -0.643 1.00 55.44 H new ATOM 0 HG LEU A 64 -5.358 -1.281 0.537 1.00 3.32 H new ATOM 0 HD11 LEU A 64 -5.688 -3.332 -0.801 1.00 30.41 H new ATOM 0 HD12 LEU A 64 -7.220 -2.651 -0.206 1.00 30.41 H new ATOM 0 HD13 LEU A 64 -6.747 -2.424 -1.906 1.00 30.41 H new ATOM 0 HD21 LEU A 64 -3.770 -1.900 -1.266 1.00 24.42 H new ATOM 0 HD22 LEU A 64 -4.680 -0.871 -2.397 1.00 24.42 H new ATOM 0 HD23 LEU A 64 -3.848 -0.141 -1.004 1.00 24.42 H new ATOM 1103 N LYS A 65 -9.424 1.688 -0.274 1.00 44.15 N ATOM 1104 CA LYS A 65 -10.186 2.949 -0.413 1.00 2.14 C ATOM 1105 C LYS A 65 -10.735 3.393 0.954 1.00 64.11 C ATOM 1106 O LYS A 65 -10.532 4.537 1.379 1.00 65.40 O ATOM 1107 CB LYS A 65 -11.359 2.796 -1.421 1.00 13.42 C ATOM 1108 CG LYS A 65 -10.940 2.295 -2.813 1.00 51.34 C ATOM 1109 CD LYS A 65 -12.049 2.364 -3.897 1.00 43.04 C ATOM 1110 CE LYS A 65 -13.360 1.639 -3.526 1.00 70.24 C ATOM 1111 NZ LYS A 65 -14.263 2.463 -2.681 1.00 73.25 N ATOM 0 H LYS A 65 -9.831 0.899 -0.777 1.00 44.15 H new ATOM 0 HA LYS A 65 -9.503 3.707 -0.795 1.00 2.14 H new ATOM 0 HB2 LYS A 65 -12.092 2.104 -1.005 1.00 13.42 H new ATOM 0 HB3 LYS A 65 -11.856 3.760 -1.530 1.00 13.42 H new ATOM 0 HG2 LYS A 65 -10.085 2.881 -3.151 1.00 51.34 H new ATOM 0 HG3 LYS A 65 -10.603 1.262 -2.725 1.00 51.34 H new ATOM 0 HD2 LYS A 65 -12.274 3.411 -4.101 1.00 43.04 H new ATOM 0 HD3 LYS A 65 -11.662 1.935 -4.821 1.00 43.04 H new ATOM 0 HE2 LYS A 65 -13.884 1.358 -4.440 1.00 70.24 H new ATOM 0 HE3 LYS A 65 -13.121 0.716 -2.998 1.00 70.24 H new ATOM 0 HZ1 LYS A 65 -14.498 1.941 -1.813 1.00 73.25 H new ATOM 0 HZ2 LYS A 65 -13.788 3.354 -2.432 1.00 73.25 H new ATOM 0 HZ3 LYS A 65 -15.136 2.671 -3.206 1.00 73.25 H new ATOM 1125 N GLU A 66 -11.400 2.444 1.638 1.00 0.35 N ATOM 1126 CA GLU A 66 -12.030 2.676 2.956 1.00 22.41 C ATOM 1127 C GLU A 66 -10.976 2.889 4.056 1.00 74.33 C ATOM 1128 O GLU A 66 -11.228 3.578 5.050 1.00 0.30 O ATOM 1129 CB GLU A 66 -12.946 1.486 3.307 1.00 21.52 C ATOM 1130 CG GLU A 66 -13.974 1.170 2.213 1.00 53.12 C ATOM 1131 CD GLU A 66 -14.937 0.059 2.610 1.00 14.43 C ATOM 1132 OE1 GLU A 66 -14.598 -1.125 2.428 1.00 55.11 O ATOM 1133 OE2 GLU A 66 -16.037 0.366 3.123 1.00 44.25 O ATOM 0 H GLU A 66 -11.517 1.491 1.293 1.00 0.35 H new ATOM 0 HA GLU A 66 -12.626 3.587 2.896 1.00 22.41 H new ATOM 0 HB2 GLU A 66 -12.332 0.603 3.485 1.00 21.52 H new ATOM 0 HB3 GLU A 66 -13.471 1.702 4.238 1.00 21.52 H new ATOM 0 HG2 GLU A 66 -14.542 2.072 1.983 1.00 53.12 H new ATOM 0 HG3 GLU A 66 -13.450 0.882 1.301 1.00 53.12 H new ATOM 1140 N MET A 67 -9.794 2.289 3.844 1.00 64.12 N ATOM 1141 CA MET A 67 -8.625 2.460 4.717 1.00 25.42 C ATOM 1142 C MET A 67 -8.147 3.925 4.666 1.00 21.12 C ATOM 1143 O MET A 67 -7.995 4.573 5.703 1.00 33.12 O ATOM 1144 CB MET A 67 -7.491 1.504 4.258 1.00 42.33 C ATOM 1145 CG MET A 67 -6.307 1.388 5.215 1.00 20.33 C ATOM 1146 SD MET A 67 -4.939 0.457 4.509 1.00 42.10 S ATOM 1147 CE MET A 67 -5.717 -1.098 4.072 1.00 4.33 C ATOM 0 H MET A 67 -9.623 1.666 3.054 1.00 64.12 H new ATOM 0 HA MET A 67 -8.897 2.217 5.744 1.00 25.42 H new ATOM 0 HB2 MET A 67 -7.914 0.511 4.108 1.00 42.33 H new ATOM 0 HB3 MET A 67 -7.122 1.843 3.290 1.00 42.33 H new ATOM 0 HG2 MET A 67 -5.962 2.386 5.484 1.00 20.33 H new ATOM 0 HG3 MET A 67 -6.634 0.905 6.136 1.00 20.33 H new ATOM 0 HE1 MET A 67 -5.058 -1.661 3.411 1.00 4.33 H new ATOM 0 HE2 MET A 67 -5.906 -1.677 4.976 1.00 4.33 H new ATOM 0 HE3 MET A 67 -6.661 -0.902 3.563 1.00 4.33 H new ATOM 1157 N LEU A 68 -7.992 4.442 3.427 1.00 24.32 N ATOM 1158 CA LEU A 68 -7.490 5.809 3.154 1.00 60.25 C ATOM 1159 C LEU A 68 -8.486 6.894 3.610 1.00 70.22 C ATOM 1160 O LEU A 68 -8.078 8.026 3.869 1.00 32.20 O ATOM 1161 CB LEU A 68 -7.146 5.965 1.642 1.00 51.23 C ATOM 1162 CG LEU A 68 -5.880 5.180 1.155 1.00 1.14 C ATOM 1163 CD1 LEU A 68 -5.741 5.210 -0.383 1.00 73.01 C ATOM 1164 CD2 LEU A 68 -4.600 5.712 1.847 1.00 3.34 C ATOM 0 H LEU A 68 -8.214 3.918 2.580 1.00 24.32 H new ATOM 0 HA LEU A 68 -6.580 5.950 3.738 1.00 60.25 H new ATOM 0 HB2 LEU A 68 -8.004 5.636 1.056 1.00 51.23 H new ATOM 0 HB3 LEU A 68 -7.001 7.024 1.427 1.00 51.23 H new ATOM 0 HG LEU A 68 -6.011 4.137 1.443 1.00 1.14 H new ATOM 0 HD11 LEU A 68 -4.851 4.655 -0.679 1.00 73.01 H new ATOM 0 HD12 LEU A 68 -6.621 4.754 -0.837 1.00 73.01 H new ATOM 0 HD13 LEU A 68 -5.653 6.243 -0.720 1.00 73.01 H new ATOM 0 HD21 LEU A 68 -3.735 5.151 1.493 1.00 3.34 H new ATOM 0 HD22 LEU A 68 -4.470 6.768 1.610 1.00 3.34 H new ATOM 0 HD23 LEU A 68 -4.693 5.592 2.926 1.00 3.34 H new ATOM 1176 N GLU A 69 -9.787 6.534 3.704 1.00 73.40 N ATOM 1177 CA GLU A 69 -10.834 7.407 4.289 1.00 62.23 C ATOM 1178 C GLU A 69 -10.496 7.756 5.746 1.00 63.13 C ATOM 1179 O GLU A 69 -10.621 8.905 6.185 1.00 44.52 O ATOM 1180 CB GLU A 69 -12.222 6.702 4.251 1.00 5.14 C ATOM 1181 CG GLU A 69 -12.816 6.518 2.848 1.00 12.00 C ATOM 1182 CD GLU A 69 -13.083 7.859 2.146 1.00 70.24 C ATOM 1183 OE1 GLU A 69 -14.003 8.588 2.567 1.00 75.45 O ATOM 1184 OE2 GLU A 69 -12.364 8.209 1.188 1.00 51.32 O ATOM 0 H GLU A 69 -10.141 5.634 3.378 1.00 73.40 H new ATOM 0 HA GLU A 69 -10.873 8.320 3.695 1.00 62.23 H new ATOM 0 HB2 GLU A 69 -12.129 5.723 4.721 1.00 5.14 H new ATOM 0 HB3 GLU A 69 -12.923 7.280 4.853 1.00 5.14 H new ATOM 0 HG2 GLU A 69 -12.133 5.923 2.242 1.00 12.00 H new ATOM 0 HG3 GLU A 69 -13.748 5.957 2.921 1.00 12.00 H new ATOM 1191 N LEU A 70 -10.080 6.721 6.483 1.00 43.52 N ATOM 1192 CA LEU A 70 -9.798 6.808 7.922 1.00 75.15 C ATOM 1193 C LEU A 70 -8.357 7.303 8.180 1.00 32.01 C ATOM 1194 O LEU A 70 -8.083 7.931 9.207 1.00 55.03 O ATOM 1195 CB LEU A 70 -10.057 5.432 8.570 1.00 41.52 C ATOM 1196 CG LEU A 70 -11.436 4.779 8.236 1.00 5.02 C ATOM 1197 CD1 LEU A 70 -11.586 3.429 8.947 1.00 41.45 C ATOM 1198 CD2 LEU A 70 -12.619 5.727 8.560 1.00 72.54 C ATOM 0 H LEU A 70 -9.928 5.790 6.095 1.00 43.52 H new ATOM 0 HA LEU A 70 -10.463 7.541 8.378 1.00 75.15 H new ATOM 0 HB2 LEU A 70 -9.267 4.749 8.259 1.00 41.52 H new ATOM 0 HB3 LEU A 70 -9.978 5.539 9.652 1.00 41.52 H new ATOM 0 HG LEU A 70 -11.463 4.598 7.161 1.00 5.02 H new ATOM 0 HD11 LEU A 70 -12.554 2.993 8.700 1.00 41.45 H new ATOM 0 HD12 LEU A 70 -10.792 2.757 8.623 1.00 41.45 H new ATOM 0 HD13 LEU A 70 -11.519 3.576 10.025 1.00 41.45 H new ATOM 0 HD21 LEU A 70 -13.559 5.234 8.313 1.00 72.54 H new ATOM 0 HD22 LEU A 70 -12.607 5.974 9.622 1.00 72.54 H new ATOM 0 HD23 LEU A 70 -12.524 6.641 7.974 1.00 72.54 H new ATOM 1210 N ILE A 71 -7.447 7.013 7.228 1.00 62.01 N ATOM 1211 CA ILE A 71 -6.066 7.548 7.228 1.00 43.23 C ATOM 1212 C ILE A 71 -6.099 9.073 6.972 1.00 14.24 C ATOM 1213 O ILE A 71 -5.268 9.816 7.495 1.00 34.11 O ATOM 1214 CB ILE A 71 -5.156 6.826 6.151 1.00 61.41 C ATOM 1215 CG1 ILE A 71 -4.939 5.321 6.530 1.00 3.10 C ATOM 1216 CG2 ILE A 71 -3.796 7.550 5.964 1.00 0.42 C ATOM 1217 CD1 ILE A 71 -4.117 4.509 5.537 1.00 34.25 C ATOM 0 H ILE A 71 -7.647 6.401 6.437 1.00 62.01 H new ATOM 0 HA ILE A 71 -5.627 7.352 8.206 1.00 43.23 H new ATOM 0 HB ILE A 71 -5.680 6.871 5.197 1.00 61.41 H new ATOM 0 HG12 ILE A 71 -4.450 5.276 7.503 1.00 3.10 H new ATOM 0 HG13 ILE A 71 -5.915 4.848 6.641 1.00 3.10 H new ATOM 0 HG21 ILE A 71 -3.203 7.023 5.217 1.00 0.42 H new ATOM 0 HG22 ILE A 71 -3.971 8.573 5.632 1.00 0.42 H new ATOM 0 HG23 ILE A 71 -3.258 7.563 6.912 1.00 0.42 H new ATOM 0 HD11 ILE A 71 -4.026 3.483 5.893 1.00 34.25 H new ATOM 0 HD12 ILE A 71 -4.611 4.514 4.566 1.00 34.25 H new ATOM 0 HD13 ILE A 71 -3.124 4.949 5.441 1.00 34.25 H new ATOM 1229 N SER A 72 -7.097 9.518 6.188 1.00 25.24 N ATOM 1230 CA SER A 72 -7.350 10.945 5.907 1.00 65.13 C ATOM 1231 C SER A 72 -7.713 11.722 7.199 1.00 62.34 C ATOM 1232 O SER A 72 -7.538 12.942 7.271 1.00 65.43 O ATOM 1233 CB SER A 72 -8.477 11.061 4.857 1.00 53.25 C ATOM 1234 OG SER A 72 -8.726 12.403 4.473 1.00 14.00 O ATOM 0 H SER A 72 -7.757 8.892 5.727 1.00 25.24 H new ATOM 0 HA SER A 72 -6.439 11.394 5.512 1.00 65.13 H new ATOM 0 HB2 SER A 72 -8.209 10.478 3.976 1.00 53.25 H new ATOM 0 HB3 SER A 72 -9.391 10.627 5.261 1.00 53.25 H new ATOM 0 HG SER A 72 -9.445 12.425 3.807 1.00 14.00 H new ATOM 1240 N LYS A 73 -8.216 10.993 8.216 1.00 1.22 N ATOM 1241 CA LYS A 73 -8.520 11.556 9.545 1.00 22.12 C ATOM 1242 C LYS A 73 -7.221 11.726 10.362 1.00 0.20 C ATOM 1243 O LYS A 73 -7.050 12.705 11.090 1.00 21.01 O ATOM 1244 CB LYS A 73 -9.502 10.624 10.310 1.00 72.14 C ATOM 1245 CG LYS A 73 -10.786 10.271 9.529 1.00 52.10 C ATOM 1246 CD LYS A 73 -11.660 11.502 9.204 1.00 75.24 C ATOM 1247 CE LYS A 73 -12.912 11.130 8.392 1.00 0.01 C ATOM 1248 NZ LYS A 73 -13.798 12.303 8.160 1.00 1.24 N ATOM 0 H LYS A 73 -8.423 9.997 8.138 1.00 1.22 H new ATOM 0 HA LYS A 73 -8.986 12.532 9.410 1.00 22.12 H new ATOM 0 HB2 LYS A 73 -8.982 9.701 10.566 1.00 72.14 H new ATOM 0 HB3 LYS A 73 -9.782 11.103 11.248 1.00 72.14 H new ATOM 0 HG2 LYS A 73 -10.512 9.773 8.599 1.00 52.10 H new ATOM 0 HG3 LYS A 73 -11.373 9.560 10.111 1.00 52.10 H new ATOM 0 HD2 LYS A 73 -11.962 11.986 10.133 1.00 75.24 H new ATOM 0 HD3 LYS A 73 -11.069 12.227 8.645 1.00 75.24 H new ATOM 0 HE2 LYS A 73 -12.610 10.709 7.433 1.00 0.01 H new ATOM 0 HE3 LYS A 73 -13.468 10.355 8.919 1.00 0.01 H new ATOM 0 HZ1 LYS A 73 -14.629 12.007 7.609 1.00 1.24 H new ATOM 0 HZ2 LYS A 73 -14.108 12.690 9.074 1.00 1.24 H new ATOM 0 HZ3 LYS A 73 -13.277 13.033 7.634 1.00 1.24 H new ATOM 1262 N LEU A 74 -6.309 10.748 10.208 1.00 43.34 N ATOM 1263 CA LEU A 74 -5.063 10.648 11.001 1.00 53.51 C ATOM 1264 C LEU A 74 -3.988 11.637 10.491 1.00 41.22 C ATOM 1265 O LEU A 74 -3.312 12.304 11.285 1.00 60.54 O ATOM 1266 CB LEU A 74 -4.552 9.180 10.957 1.00 44.13 C ATOM 1267 CG LEU A 74 -5.579 8.101 11.440 1.00 51.40 C ATOM 1268 CD1 LEU A 74 -5.023 6.669 11.263 1.00 44.34 C ATOM 1269 CD2 LEU A 74 -6.031 8.369 12.898 1.00 73.52 C ATOM 0 H LEU A 74 -6.414 9.998 9.525 1.00 43.34 H new ATOM 0 HA LEU A 74 -5.273 10.922 12.035 1.00 53.51 H new ATOM 0 HB2 LEU A 74 -4.257 8.945 9.934 1.00 44.13 H new ATOM 0 HB3 LEU A 74 -3.655 9.106 11.572 1.00 44.13 H new ATOM 0 HG LEU A 74 -6.463 8.179 10.807 1.00 51.40 H new ATOM 0 HD11 LEU A 74 -5.762 5.946 11.608 1.00 44.34 H new ATOM 0 HD12 LEU A 74 -4.806 6.491 10.210 1.00 44.34 H new ATOM 0 HD13 LEU A 74 -4.108 6.559 11.846 1.00 44.34 H new ATOM 0 HD21 LEU A 74 -6.744 7.603 13.205 1.00 73.52 H new ATOM 0 HD22 LEU A 74 -5.164 8.343 13.558 1.00 73.52 H new ATOM 0 HD23 LEU A 74 -6.504 9.349 12.958 1.00 73.52 H new ATOM 1281 N GLY A 75 -3.850 11.713 9.159 1.00 25.01 N ATOM 1282 CA GLY A 75 -2.968 12.674 8.495 1.00 13.10 C ATOM 1283 C GLY A 75 -1.495 12.282 8.533 1.00 30.15 C ATOM 1284 O GLY A 75 -0.715 12.879 9.279 1.00 75.35 O ATOM 0 H GLY A 75 -4.352 11.105 8.512 1.00 25.01 H new ATOM 0 HA2 GLY A 75 -3.279 12.782 7.456 1.00 13.10 H new ATOM 0 HA3 GLY A 75 -3.088 13.649 8.967 1.00 13.10 H new ATOM 1288 N TYR A 76 -1.114 11.269 7.725 1.00 60.33 N ATOM 1289 CA TYR A 76 0.297 10.851 7.550 1.00 41.13 C ATOM 1290 C TYR A 76 0.541 10.359 6.107 1.00 51.40 C ATOM 1291 O TYR A 76 -0.392 10.288 5.292 1.00 34.40 O ATOM 1292 CB TYR A 76 0.720 9.777 8.604 1.00 12.20 C ATOM 1293 CG TYR A 76 -0.100 8.469 8.623 1.00 44.51 C ATOM 1294 CD1 TYR A 76 0.184 7.410 7.749 1.00 2.13 C ATOM 1295 CD2 TYR A 76 -1.147 8.284 9.528 1.00 43.13 C ATOM 1296 CE1 TYR A 76 -0.536 6.233 7.788 1.00 10.13 C ATOM 1297 CE2 TYR A 76 -1.859 7.103 9.567 1.00 32.04 C ATOM 1298 CZ TYR A 76 -1.557 6.088 8.695 1.00 71.04 C ATOM 1299 OH TYR A 76 -2.274 4.913 8.742 1.00 72.43 O ATOM 0 H TYR A 76 -1.774 10.718 7.176 1.00 60.33 H new ATOM 0 HA TYR A 76 0.928 11.723 7.721 1.00 41.13 H new ATOM 0 HB2 TYR A 76 1.765 9.522 8.430 1.00 12.20 H new ATOM 0 HB3 TYR A 76 0.663 10.230 9.594 1.00 12.20 H new ATOM 0 HD1 TYR A 76 0.983 7.517 7.030 1.00 2.13 H new ATOM 0 HD2 TYR A 76 -1.404 9.081 10.210 1.00 43.13 H new ATOM 0 HE1 TYR A 76 -0.297 5.429 7.108 1.00 10.13 H new ATOM 0 HE2 TYR A 76 -2.656 6.977 10.285 1.00 32.04 H new ATOM 0 HH TYR A 76 -2.959 4.975 9.440 1.00 72.43 H new ATOM 1309 N LYS A 77 1.817 10.039 5.814 1.00 52.15 N ATOM 1310 CA LYS A 77 2.277 9.614 4.476 1.00 61.15 C ATOM 1311 C LYS A 77 2.000 8.127 4.239 1.00 23.51 C ATOM 1312 O LYS A 77 2.393 7.268 5.044 1.00 73.11 O ATOM 1313 CB LYS A 77 3.793 9.910 4.310 1.00 23.15 C ATOM 1314 CG LYS A 77 4.113 11.404 4.080 1.00 2.31 C ATOM 1315 CD LYS A 77 3.760 11.863 2.641 1.00 34.40 C ATOM 1316 CE LYS A 77 3.807 13.388 2.472 1.00 51.33 C ATOM 1317 NZ LYS A 77 2.753 14.049 3.284 1.00 51.55 N ATOM 0 H LYS A 77 2.565 10.068 6.506 1.00 52.15 H new ATOM 0 HA LYS A 77 1.719 10.183 3.733 1.00 61.15 H new ATOM 0 HB2 LYS A 77 4.321 9.568 5.200 1.00 23.15 H new ATOM 0 HB3 LYS A 77 4.177 9.332 3.470 1.00 23.15 H new ATOM 0 HG2 LYS A 77 3.558 12.008 4.799 1.00 2.31 H new ATOM 0 HG3 LYS A 77 5.172 11.580 4.266 1.00 2.31 H new ATOM 0 HD2 LYS A 77 4.454 11.403 1.938 1.00 34.40 H new ATOM 0 HD3 LYS A 77 2.763 11.505 2.385 1.00 34.40 H new ATOM 0 HE2 LYS A 77 4.787 13.760 2.770 1.00 51.33 H new ATOM 0 HE3 LYS A 77 3.675 13.645 1.421 1.00 51.33 H new ATOM 0 HZ1 LYS A 77 2.624 15.027 2.956 1.00 51.55 H new ATOM 0 HZ2 LYS A 77 1.858 13.529 3.181 1.00 51.55 H new ATOM 0 HZ3 LYS A 77 3.038 14.054 4.284 1.00 51.55 H new ATOM 1331 N VAL A 78 1.305 7.852 3.121 1.00 64.20 N ATOM 1332 CA VAL A 78 1.019 6.493 2.636 1.00 44.33 C ATOM 1333 C VAL A 78 1.495 6.362 1.178 1.00 42.13 C ATOM 1334 O VAL A 78 1.278 7.267 0.359 1.00 53.41 O ATOM 1335 CB VAL A 78 -0.511 6.136 2.738 1.00 32.41 C ATOM 1336 CG1 VAL A 78 -0.802 4.710 2.207 1.00 21.14 C ATOM 1337 CG2 VAL A 78 -1.000 6.287 4.189 1.00 2.10 C ATOM 0 H VAL A 78 0.921 8.581 2.520 1.00 64.20 H new ATOM 0 HA VAL A 78 1.557 5.790 3.271 1.00 44.33 H new ATOM 0 HB VAL A 78 -1.059 6.837 2.108 1.00 32.41 H new ATOM 0 HG11 VAL A 78 -1.868 4.500 2.294 1.00 21.14 H new ATOM 0 HG12 VAL A 78 -0.503 4.643 1.161 1.00 21.14 H new ATOM 0 HG13 VAL A 78 -0.240 3.982 2.792 1.00 21.14 H new ATOM 0 HG21 VAL A 78 -2.059 6.037 4.244 1.00 2.10 H new ATOM 0 HG22 VAL A 78 -0.435 5.615 4.835 1.00 2.10 H new ATOM 0 HG23 VAL A 78 -0.853 7.316 4.517 1.00 2.10 H new ATOM 1347 N PHE A 79 2.153 5.234 0.884 1.00 10.21 N ATOM 1348 CA PHE A 79 2.683 4.907 -0.439 1.00 23.33 C ATOM 1349 C PHE A 79 1.882 3.730 -1.004 1.00 24.44 C ATOM 1350 O PHE A 79 1.966 2.621 -0.496 1.00 15.52 O ATOM 1351 CB PHE A 79 4.177 4.540 -0.308 1.00 40.42 C ATOM 1352 CG PHE A 79 5.042 5.647 0.305 1.00 32.24 C ATOM 1353 CD1 PHE A 79 5.561 6.666 -0.491 1.00 32.14 C ATOM 1354 CD2 PHE A 79 5.313 5.684 1.679 1.00 13.31 C ATOM 1355 CE1 PHE A 79 6.333 7.672 0.054 1.00 1.44 C ATOM 1356 CE2 PHE A 79 6.087 6.694 2.222 1.00 31.20 C ATOM 1357 CZ PHE A 79 6.590 7.692 1.410 1.00 10.34 C ATOM 0 H PHE A 79 2.334 4.509 1.578 1.00 10.21 H new ATOM 0 HA PHE A 79 2.594 5.758 -1.114 1.00 23.33 H new ATOM 0 HB2 PHE A 79 4.267 3.642 0.304 1.00 40.42 H new ATOM 0 HB3 PHE A 79 4.567 4.293 -1.295 1.00 40.42 H new ATOM 0 HD1 PHE A 79 5.356 6.669 -1.551 1.00 32.14 H new ATOM 0 HD2 PHE A 79 4.913 4.914 2.322 1.00 13.31 H new ATOM 0 HE1 PHE A 79 6.737 8.446 -0.582 1.00 1.44 H new ATOM 0 HE2 PHE A 79 6.298 6.702 3.281 1.00 31.20 H new ATOM 0 HZ PHE A 79 7.184 8.487 1.836 1.00 10.34 H new ATOM 1367 N LEU A 80 1.092 3.987 -2.036 1.00 71.14 N ATOM 1368 CA LEU A 80 0.189 3.000 -2.635 1.00 2.20 C ATOM 1369 C LEU A 80 0.793 2.475 -3.943 1.00 13.04 C ATOM 1370 O LEU A 80 1.252 3.252 -4.782 1.00 53.11 O ATOM 1371 CB LEU A 80 -1.211 3.643 -2.873 1.00 4.34 C ATOM 1372 CG LEU A 80 -2.270 2.779 -3.648 1.00 50.31 C ATOM 1373 CD1 LEU A 80 -2.448 1.380 -3.033 1.00 54.32 C ATOM 1374 CD2 LEU A 80 -3.627 3.512 -3.743 1.00 42.51 C ATOM 0 H LEU A 80 1.056 4.899 -2.492 1.00 71.14 H new ATOM 0 HA LEU A 80 0.062 2.156 -1.957 1.00 2.20 H new ATOM 0 HB2 LEU A 80 -1.633 3.906 -1.903 1.00 4.34 H new ATOM 0 HB3 LEU A 80 -1.067 4.574 -3.421 1.00 4.34 H new ATOM 0 HG LEU A 80 -1.882 2.640 -4.657 1.00 50.31 H new ATOM 0 HD11 LEU A 80 -3.190 0.823 -3.605 1.00 54.32 H new ATOM 0 HD12 LEU A 80 -1.497 0.848 -3.057 1.00 54.32 H new ATOM 0 HD13 LEU A 80 -2.783 1.476 -2.000 1.00 54.32 H new ATOM 0 HD21 LEU A 80 -4.340 2.890 -4.284 1.00 42.51 H new ATOM 0 HD22 LEU A 80 -4.006 3.708 -2.740 1.00 42.51 H new ATOM 0 HD23 LEU A 80 -3.494 4.456 -4.272 1.00 42.51 H new ATOM 1386 N LEU A 81 0.783 1.147 -4.092 1.00 70.45 N ATOM 1387 CA LEU A 81 1.217 0.458 -5.304 1.00 33.33 C ATOM 1388 C LEU A 81 0.061 -0.397 -5.814 1.00 13.23 C ATOM 1389 O LEU A 81 -0.416 -1.303 -5.121 1.00 23.11 O ATOM 1390 CB LEU A 81 2.461 -0.428 -5.046 1.00 2.11 C ATOM 1391 CG LEU A 81 3.118 -1.077 -6.317 1.00 24.20 C ATOM 1392 CD1 LEU A 81 3.463 -0.011 -7.388 1.00 10.43 C ATOM 1393 CD2 LEU A 81 4.362 -1.915 -5.935 1.00 51.24 C ATOM 0 H LEU A 81 0.467 0.512 -3.359 1.00 70.45 H new ATOM 0 HA LEU A 81 1.500 1.201 -6.049 1.00 33.33 H new ATOM 0 HB2 LEU A 81 3.214 0.176 -4.540 1.00 2.11 H new ATOM 0 HB3 LEU A 81 2.178 -1.226 -4.360 1.00 2.11 H new ATOM 0 HG LEU A 81 2.384 -1.752 -6.757 1.00 24.20 H new ATOM 0 HD11 LEU A 81 3.916 -0.497 -8.252 1.00 10.43 H new ATOM 0 HD12 LEU A 81 2.553 0.503 -7.696 1.00 10.43 H new ATOM 0 HD13 LEU A 81 4.164 0.711 -6.970 1.00 10.43 H new ATOM 0 HD21 LEU A 81 4.796 -2.352 -6.834 1.00 51.24 H new ATOM 0 HD22 LEU A 81 5.099 -1.273 -5.451 1.00 51.24 H new ATOM 0 HD23 LEU A 81 4.069 -2.710 -5.250 1.00 51.24 H new ATOM 1405 N LEU A 82 -0.398 -0.063 -7.008 1.00 71.03 N ATOM 1406 CA LEU A 82 -1.440 -0.779 -7.732 1.00 50.31 C ATOM 1407 C LEU A 82 -0.761 -1.652 -8.794 1.00 40.04 C ATOM 1408 O LEU A 82 0.156 -1.181 -9.457 1.00 70.04 O ATOM 1409 CB LEU A 82 -2.378 0.269 -8.382 1.00 14.32 C ATOM 1410 CG LEU A 82 -3.084 1.249 -7.397 1.00 42.31 C ATOM 1411 CD1 LEU A 82 -3.831 2.363 -8.161 1.00 54.45 C ATOM 1412 CD2 LEU A 82 -4.025 0.481 -6.432 1.00 63.12 C ATOM 0 H LEU A 82 -0.043 0.744 -7.521 1.00 71.03 H new ATOM 0 HA LEU A 82 -2.030 -1.418 -7.075 1.00 50.31 H new ATOM 0 HB2 LEU A 82 -1.798 0.855 -9.095 1.00 14.32 H new ATOM 0 HB3 LEU A 82 -3.143 -0.259 -8.951 1.00 14.32 H new ATOM 0 HG LEU A 82 -2.318 1.732 -6.790 1.00 42.31 H new ATOM 0 HD11 LEU A 82 -4.314 3.032 -7.449 1.00 54.45 H new ATOM 0 HD12 LEU A 82 -3.122 2.928 -8.766 1.00 54.45 H new ATOM 0 HD13 LEU A 82 -4.586 1.917 -8.809 1.00 54.45 H new ATOM 0 HD21 LEU A 82 -4.506 1.187 -5.755 1.00 63.12 H new ATOM 0 HD22 LEU A 82 -4.786 -0.045 -7.008 1.00 63.12 H new ATOM 0 HD23 LEU A 82 -3.445 -0.239 -5.854 1.00 63.12 H new ATOM 1424 N ALA A 83 -1.189 -2.913 -8.939 1.00 40.52 N ATOM 1425 CA ALA A 83 -0.597 -3.849 -9.909 1.00 45.22 C ATOM 1426 C ALA A 83 -1.665 -4.818 -10.439 1.00 74.55 C ATOM 1427 O ALA A 83 -2.203 -5.635 -9.690 1.00 60.23 O ATOM 1428 CB ALA A 83 0.573 -4.605 -9.267 1.00 63.20 C ATOM 0 H ALA A 83 -1.951 -3.313 -8.391 1.00 40.52 H new ATOM 0 HA ALA A 83 -0.210 -3.284 -10.757 1.00 45.22 H new ATOM 0 HB1 ALA A 83 1.003 -5.294 -9.993 1.00 63.20 H new ATOM 0 HB2 ALA A 83 1.334 -3.893 -8.947 1.00 63.20 H new ATOM 0 HB3 ALA A 83 0.214 -5.165 -8.404 1.00 63.20 H new ATOM 1434 N ASP A 84 -1.989 -4.691 -11.730 1.00 10.14 N ATOM 1435 CA ASP A 84 -2.968 -5.563 -12.415 1.00 43.44 C ATOM 1436 C ASP A 84 -2.920 -5.274 -13.911 1.00 35.33 C ATOM 1437 O ASP A 84 -2.689 -4.126 -14.319 1.00 33.24 O ATOM 1438 CB ASP A 84 -4.413 -5.351 -11.854 1.00 63.31 C ATOM 1439 CG ASP A 84 -5.501 -6.272 -12.429 1.00 31.24 C ATOM 1440 OD1 ASP A 84 -5.199 -7.425 -12.818 1.00 64.22 O ATOM 1441 OD2 ASP A 84 -6.681 -5.853 -12.461 1.00 52.24 O ATOM 0 H ASP A 84 -1.582 -3.980 -12.338 1.00 10.14 H new ATOM 0 HA ASP A 84 -2.706 -6.605 -12.233 1.00 43.44 H new ATOM 0 HB2 ASP A 84 -4.385 -5.486 -10.773 1.00 63.31 H new ATOM 0 HB3 ASP A 84 -4.705 -4.317 -12.039 1.00 63.31 H new ATOM 1446 N GLN A 85 -3.142 -6.330 -14.716 1.00 44.24 N ATOM 1447 CA GLN A 85 -3.120 -6.248 -16.184 1.00 61.35 C ATOM 1448 C GLN A 85 -4.361 -5.486 -16.697 1.00 53.45 C ATOM 1449 O GLN A 85 -4.305 -4.847 -17.758 1.00 63.31 O ATOM 1450 CB GLN A 85 -3.022 -7.661 -16.818 1.00 1.30 C ATOM 1451 CG GLN A 85 -2.700 -7.650 -18.324 1.00 62.30 C ATOM 1452 CD GLN A 85 -2.548 -9.037 -18.931 1.00 51.14 C ATOM 1453 OE1 GLN A 85 -3.195 -9.989 -18.515 1.00 3.21 O ATOM 1454 NE2 GLN A 85 -1.667 -9.161 -19.901 1.00 31.24 N ATOM 0 H GLN A 85 -3.342 -7.266 -14.363 1.00 44.24 H new ATOM 0 HA GLN A 85 -2.232 -5.693 -16.487 1.00 61.35 H new ATOM 0 HB2 GLN A 85 -2.252 -8.230 -16.296 1.00 1.30 H new ATOM 0 HB3 GLN A 85 -3.965 -8.184 -16.662 1.00 1.30 H new ATOM 0 HG2 GLN A 85 -3.492 -7.118 -18.851 1.00 62.30 H new ATOM 0 HG3 GLN A 85 -1.778 -7.091 -18.485 1.00 62.30 H new ATOM 0 HE21 GLN A 85 -1.145 -8.346 -20.223 1.00 31.24 H new ATOM 0 HE22 GLN A 85 -1.506 -10.072 -20.331 1.00 31.24 H new ATOM 1463 N ASP A 86 -5.478 -5.547 -15.926 1.00 63.34 N ATOM 1464 CA ASP A 86 -6.632 -4.639 -16.121 1.00 44.24 C ATOM 1465 C ASP A 86 -6.280 -3.284 -15.487 1.00 72.24 C ATOM 1466 O ASP A 86 -6.848 -2.866 -14.462 1.00 2.15 O ATOM 1467 CB ASP A 86 -7.934 -5.203 -15.506 1.00 53.42 C ATOM 1468 CG ASP A 86 -8.377 -6.533 -16.112 1.00 3.21 C ATOM 1469 OD1 ASP A 86 -9.121 -6.528 -17.114 1.00 1.31 O ATOM 1470 OD2 ASP A 86 -7.984 -7.593 -15.591 1.00 2.32 O ATOM 0 H ASP A 86 -5.601 -6.216 -15.165 1.00 63.34 H new ATOM 0 HA ASP A 86 -6.820 -4.530 -17.189 1.00 44.24 H new ATOM 0 HB2 ASP A 86 -7.791 -5.333 -14.433 1.00 53.42 H new ATOM 0 HB3 ASP A 86 -8.732 -4.472 -15.635 1.00 53.42 H new ATOM 1475 N GLU A 87 -5.302 -2.631 -16.114 1.00 34.35 N ATOM 1476 CA GLU A 87 -4.670 -1.414 -15.610 1.00 73.44 C ATOM 1477 C GLU A 87 -5.600 -0.195 -15.710 1.00 31.34 C ATOM 1478 O GLU A 87 -5.417 0.753 -14.979 1.00 14.14 O ATOM 1479 CB GLU A 87 -3.370 -1.143 -16.392 1.00 31.23 C ATOM 1480 CG GLU A 87 -3.551 -0.962 -17.910 1.00 24.43 C ATOM 1481 CD GLU A 87 -2.289 -0.414 -18.588 1.00 61.20 C ATOM 1482 OE1 GLU A 87 -1.383 -1.209 -18.914 1.00 52.51 O ATOM 1483 OE2 GLU A 87 -2.194 0.821 -18.782 1.00 75.34 O ATOM 0 H GLU A 87 -4.919 -2.941 -17.007 1.00 34.35 H new ATOM 0 HA GLU A 87 -4.447 -1.571 -14.555 1.00 73.44 H new ATOM 0 HB2 GLU A 87 -2.900 -0.246 -15.988 1.00 31.23 H new ATOM 0 HB3 GLU A 87 -2.681 -1.969 -16.219 1.00 31.23 H new ATOM 0 HG2 GLU A 87 -3.814 -1.920 -18.359 1.00 24.43 H new ATOM 0 HG3 GLU A 87 -4.384 -0.284 -18.096 1.00 24.43 H new ATOM 1490 N ASN A 88 -6.592 -0.263 -16.618 1.00 1.24 N ATOM 1491 CA ASN A 88 -7.564 0.830 -16.887 1.00 5.00 C ATOM 1492 C ASN A 88 -8.334 1.215 -15.603 1.00 13.13 C ATOM 1493 O ASN A 88 -8.631 2.396 -15.364 1.00 34.51 O ATOM 1494 CB ASN A 88 -8.538 0.394 -18.014 1.00 4.02 C ATOM 1495 CG ASN A 88 -9.532 1.489 -18.429 1.00 23.41 C ATOM 1496 OD1 ASN A 88 -10.675 1.504 -17.980 1.00 22.02 O ATOM 1497 ND2 ASN A 88 -9.097 2.431 -19.261 1.00 3.42 N ATOM 0 H ASN A 88 -6.749 -1.088 -17.197 1.00 1.24 H new ATOM 0 HA ASN A 88 -7.019 1.715 -17.216 1.00 5.00 H new ATOM 0 HB2 ASN A 88 -7.958 0.092 -18.886 1.00 4.02 H new ATOM 0 HB3 ASN A 88 -9.094 -0.483 -17.682 1.00 4.02 H new ATOM 0 HD21 ASN A 88 -9.718 3.190 -19.541 1.00 3.42 H new ATOM 0 HD22 ASN A 88 -8.143 2.394 -19.619 1.00 3.42 H new ATOM 1504 N GLU A 89 -8.618 0.187 -14.783 1.00 5.35 N ATOM 1505 CA GLU A 89 -9.199 0.334 -13.442 1.00 53.55 C ATOM 1506 C GLU A 89 -8.257 1.141 -12.520 1.00 14.21 C ATOM 1507 O GLU A 89 -8.657 2.149 -11.928 1.00 71.21 O ATOM 1508 CB GLU A 89 -9.456 -1.082 -12.844 1.00 64.34 C ATOM 1509 CG GLU A 89 -9.957 -1.114 -11.383 1.00 1.25 C ATOM 1510 CD GLU A 89 -11.240 -0.298 -11.155 1.00 32.34 C ATOM 1511 OE1 GLU A 89 -12.293 -0.661 -11.729 1.00 35.43 O ATOM 1512 OE2 GLU A 89 -11.205 0.703 -10.403 1.00 31.23 O ATOM 0 H GLU A 89 -8.446 -0.785 -15.041 1.00 5.35 H new ATOM 0 HA GLU A 89 -10.140 0.879 -13.517 1.00 53.55 H new ATOM 0 HB2 GLU A 89 -10.187 -1.593 -13.470 1.00 64.34 H new ATOM 0 HB3 GLU A 89 -8.530 -1.654 -12.903 1.00 64.34 H new ATOM 0 HG2 GLU A 89 -10.138 -2.149 -11.092 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.172 -0.732 -10.730 1.00 1.25 H new ATOM 1519 N LEU A 90 -6.994 0.693 -12.455 1.00 51.35 N ATOM 1520 CA LEU A 90 -5.984 1.224 -11.521 1.00 42.53 C ATOM 1521 C LEU A 90 -5.351 2.533 -12.031 1.00 53.45 C ATOM 1522 O LEU A 90 -4.684 3.247 -11.276 1.00 41.21 O ATOM 1523 CB LEU A 90 -4.900 0.153 -11.271 1.00 53.53 C ATOM 1524 CG LEU A 90 -5.408 -1.203 -10.684 1.00 14.52 C ATOM 1525 CD1 LEU A 90 -4.233 -2.173 -10.472 1.00 24.41 C ATOM 1526 CD2 LEU A 90 -6.216 -0.995 -9.374 1.00 34.55 C ATOM 0 H LEU A 90 -6.640 -0.054 -13.053 1.00 51.35 H new ATOM 0 HA LEU A 90 -6.484 1.463 -10.583 1.00 42.53 H new ATOM 0 HB2 LEU A 90 -4.391 -0.049 -12.213 1.00 53.53 H new ATOM 0 HB3 LEU A 90 -4.157 0.567 -10.589 1.00 53.53 H new ATOM 0 HG LEU A 90 -6.089 -1.648 -11.409 1.00 14.52 H new ATOM 0 HD11 LEU A 90 -4.606 -3.112 -10.063 1.00 24.41 H new ATOM 0 HD12 LEU A 90 -3.741 -2.363 -11.426 1.00 24.41 H new ATOM 0 HD13 LEU A 90 -3.518 -1.732 -9.777 1.00 24.41 H new ATOM 0 HD21 LEU A 90 -6.552 -1.961 -8.997 1.00 34.55 H new ATOM 0 HD22 LEU A 90 -5.583 -0.514 -8.628 1.00 34.55 H new ATOM 0 HD23 LEU A 90 -7.081 -0.364 -9.576 1.00 34.55 H new ATOM 1538 N GLU A 91 -5.584 2.833 -13.311 1.00 30.42 N ATOM 1539 CA GLU A 91 -5.069 4.035 -13.977 1.00 22.12 C ATOM 1540 C GLU A 91 -6.031 5.205 -13.726 1.00 35.24 C ATOM 1541 O GLU A 91 -5.655 6.366 -13.860 1.00 14.14 O ATOM 1542 CB GLU A 91 -4.873 3.761 -15.499 1.00 44.42 C ATOM 1543 CG GLU A 91 -4.051 4.825 -16.261 1.00 15.32 C ATOM 1544 CD GLU A 91 -2.613 5.036 -15.731 1.00 35.21 C ATOM 1545 OE1 GLU A 91 -1.948 4.060 -15.315 1.00 41.34 O ATOM 1546 OE2 GLU A 91 -2.126 6.189 -15.734 1.00 70.31 O ATOM 0 H GLU A 91 -6.144 2.240 -13.924 1.00 30.42 H new ATOM 0 HA GLU A 91 -4.095 4.301 -13.566 1.00 22.12 H new ATOM 0 HB2 GLU A 91 -4.384 2.794 -15.617 1.00 44.42 H new ATOM 0 HB3 GLU A 91 -5.854 3.681 -15.966 1.00 44.42 H new ATOM 0 HG2 GLU A 91 -3.998 4.539 -17.311 1.00 15.32 H new ATOM 0 HG3 GLU A 91 -4.583 5.775 -16.216 1.00 15.32 H new ATOM 1553 N GLU A 92 -7.287 4.877 -13.389 1.00 20.01 N ATOM 1554 CA GLU A 92 -8.249 5.841 -12.837 1.00 64.35 C ATOM 1555 C GLU A 92 -8.127 5.918 -11.308 1.00 4.52 C ATOM 1556 O GLU A 92 -8.187 7.003 -10.732 1.00 72.44 O ATOM 1557 CB GLU A 92 -9.691 5.465 -13.254 1.00 54.32 C ATOM 1558 CG GLU A 92 -9.991 5.741 -14.737 1.00 2.10 C ATOM 1559 CD GLU A 92 -9.767 7.219 -15.149 1.00 23.02 C ATOM 1560 OE1 GLU A 92 -10.049 8.139 -14.334 1.00 52.32 O ATOM 1561 OE2 GLU A 92 -9.305 7.469 -16.283 1.00 73.20 O ATOM 0 H GLU A 92 -7.664 3.935 -13.492 1.00 20.01 H new ATOM 0 HA GLU A 92 -8.020 6.826 -13.244 1.00 64.35 H new ATOM 0 HB2 GLU A 92 -9.856 4.407 -13.049 1.00 54.32 H new ATOM 0 HB3 GLU A 92 -10.396 6.023 -12.638 1.00 54.32 H new ATOM 0 HG2 GLU A 92 -9.359 5.101 -15.353 1.00 2.10 H new ATOM 0 HG3 GLU A 92 -11.025 5.466 -14.948 1.00 2.10 H new ATOM 1568 N PHE A 93 -7.948 4.737 -10.682 1.00 22.04 N ATOM 1569 CA PHE A 93 -7.853 4.570 -9.210 1.00 34.42 C ATOM 1570 C PHE A 93 -6.742 5.475 -8.642 1.00 31.22 C ATOM 1571 O PHE A 93 -6.954 6.181 -7.654 1.00 40.44 O ATOM 1572 CB PHE A 93 -7.581 3.070 -8.883 1.00 5.13 C ATOM 1573 CG PHE A 93 -7.764 2.637 -7.422 1.00 41.20 C ATOM 1574 CD1 PHE A 93 -6.845 2.992 -6.433 1.00 3.02 C ATOM 1575 CD2 PHE A 93 -8.837 1.827 -7.050 1.00 13.13 C ATOM 1576 CE1 PHE A 93 -6.996 2.567 -5.129 1.00 51.25 C ATOM 1577 CE2 PHE A 93 -8.987 1.409 -5.744 1.00 1.54 C ATOM 1578 CZ PHE A 93 -8.061 1.772 -4.786 1.00 53.42 C ATOM 0 H PHE A 93 -7.864 3.856 -11.189 1.00 22.04 H new ATOM 0 HA PHE A 93 -8.792 4.867 -8.743 1.00 34.42 H new ATOM 0 HB2 PHE A 93 -8.240 2.462 -9.503 1.00 5.13 H new ATOM 0 HB3 PHE A 93 -6.559 2.837 -9.181 1.00 5.13 H new ATOM 0 HD1 PHE A 93 -5.999 3.611 -6.694 1.00 3.02 H new ATOM 0 HD2 PHE A 93 -9.559 1.523 -7.794 1.00 13.13 H new ATOM 0 HE1 PHE A 93 -6.277 2.860 -4.379 1.00 51.25 H new ATOM 0 HE2 PHE A 93 -9.832 0.795 -5.470 1.00 1.54 H new ATOM 0 HZ PHE A 93 -8.175 1.431 -3.768 1.00 53.42 H new ATOM 1588 N LYS A 94 -5.582 5.467 -9.332 1.00 33.42 N ATOM 1589 CA LYS A 94 -4.417 6.287 -8.965 1.00 73.33 C ATOM 1590 C LYS A 94 -4.763 7.791 -8.940 1.00 15.32 C ATOM 1591 O LYS A 94 -4.311 8.505 -8.067 1.00 24.31 O ATOM 1592 CB LYS A 94 -3.234 6.066 -9.951 1.00 33.33 C ATOM 1593 CG LYS A 94 -3.552 6.452 -11.420 1.00 60.12 C ATOM 1594 CD LYS A 94 -2.321 6.816 -12.266 1.00 53.12 C ATOM 1595 CE LYS A 94 -1.273 5.709 -12.317 1.00 43.21 C ATOM 1596 NZ LYS A 94 -0.235 5.996 -13.337 1.00 44.12 N ATOM 0 H LYS A 94 -5.431 4.890 -10.159 1.00 33.42 H new ATOM 0 HA LYS A 94 -4.122 5.970 -7.965 1.00 73.33 H new ATOM 0 HB2 LYS A 94 -2.378 6.649 -9.611 1.00 33.33 H new ATOM 0 HB3 LYS A 94 -2.939 5.017 -9.918 1.00 33.33 H new ATOM 0 HG2 LYS A 94 -4.071 5.620 -11.896 1.00 60.12 H new ATOM 0 HG3 LYS A 94 -4.239 7.298 -11.419 1.00 60.12 H new ATOM 0 HD2 LYS A 94 -2.643 7.049 -13.281 1.00 53.12 H new ATOM 0 HD3 LYS A 94 -1.865 7.720 -11.861 1.00 53.12 H new ATOM 0 HE2 LYS A 94 -0.805 5.603 -11.338 1.00 43.21 H new ATOM 0 HE3 LYS A 94 -1.756 4.758 -12.544 1.00 43.21 H new ATOM 0 HZ1 LYS A 94 0.415 5.187 -13.408 1.00 44.12 H new ATOM 0 HZ2 LYS A 94 -0.689 6.157 -14.259 1.00 44.12 H new ATOM 0 HZ3 LYS A 94 0.298 6.845 -13.061 1.00 44.12 H new ATOM 1610 N ARG A 95 -5.589 8.237 -9.912 1.00 11.25 N ATOM 1611 CA ARG A 95 -5.907 9.662 -10.114 1.00 0.25 C ATOM 1612 C ARG A 95 -6.731 10.208 -8.935 1.00 40.40 C ATOM 1613 O ARG A 95 -6.582 11.362 -8.544 1.00 31.12 O ATOM 1614 CB ARG A 95 -6.661 9.857 -11.464 1.00 24.23 C ATOM 1615 CG ARG A 95 -5.862 9.385 -12.703 1.00 41.50 C ATOM 1616 CD ARG A 95 -6.652 9.508 -14.022 1.00 72.44 C ATOM 1617 NE ARG A 95 -6.964 10.904 -14.359 1.00 32.40 N ATOM 1618 CZ ARG A 95 -7.959 11.313 -15.155 1.00 64.05 C ATOM 1619 NH1 ARG A 95 -8.783 10.444 -15.750 1.00 61.35 N ATOM 1620 NH2 ARG A 95 -8.124 12.611 -15.359 1.00 12.55 N ATOM 0 H ARG A 95 -6.052 7.617 -10.577 1.00 11.25 H new ATOM 0 HA ARG A 95 -4.975 10.226 -10.157 1.00 0.25 H new ATOM 0 HB2 ARG A 95 -7.605 9.313 -11.424 1.00 24.23 H new ATOM 0 HB3 ARG A 95 -6.906 10.912 -11.583 1.00 24.23 H new ATOM 0 HG2 ARG A 95 -4.946 9.970 -12.780 1.00 41.50 H new ATOM 0 HG3 ARG A 95 -5.565 8.346 -12.561 1.00 41.50 H new ATOM 0 HD2 ARG A 95 -6.074 9.062 -14.832 1.00 72.44 H new ATOM 0 HD3 ARG A 95 -7.579 8.940 -13.942 1.00 72.44 H new ATOM 0 HE ARG A 95 -6.370 11.625 -13.950 1.00 32.40 H new ATOM 0 HH11 ARG A 95 -8.661 9.442 -15.602 1.00 61.35 H new ATOM 0 HH12 ARG A 95 -9.533 10.783 -16.352 1.00 61.35 H new ATOM 0 HH21 ARG A 95 -7.498 13.281 -14.912 1.00 12.55 H new ATOM 0 HH22 ARG A 95 -8.877 12.941 -15.963 1.00 12.55 H new ATOM 1634 N LYS A 96 -7.567 9.329 -8.358 1.00 72.11 N ATOM 1635 CA LYS A 96 -8.443 9.653 -7.215 1.00 60.02 C ATOM 1636 C LYS A 96 -7.623 9.745 -5.919 1.00 24.51 C ATOM 1637 O LYS A 96 -7.845 10.642 -5.109 1.00 25.10 O ATOM 1638 CB LYS A 96 -9.602 8.608 -7.096 1.00 33.52 C ATOM 1639 CG LYS A 96 -10.782 8.852 -8.078 1.00 40.22 C ATOM 1640 CD LYS A 96 -10.354 8.901 -9.565 1.00 20.55 C ATOM 1641 CE LYS A 96 -11.480 9.318 -10.508 1.00 22.31 C ATOM 1642 NZ LYS A 96 -11.001 9.435 -11.906 1.00 73.41 N ATOM 0 H LYS A 96 -7.656 8.363 -8.674 1.00 72.11 H new ATOM 0 HA LYS A 96 -8.899 10.628 -7.386 1.00 60.02 H new ATOM 0 HB2 LYS A 96 -9.197 7.611 -7.272 1.00 33.52 H new ATOM 0 HB3 LYS A 96 -9.985 8.621 -6.075 1.00 33.52 H new ATOM 0 HG2 LYS A 96 -11.521 8.061 -7.948 1.00 40.22 H new ATOM 0 HG3 LYS A 96 -11.271 9.791 -7.819 1.00 40.22 H new ATOM 0 HD2 LYS A 96 -9.523 9.598 -9.673 1.00 20.55 H new ATOM 0 HD3 LYS A 96 -9.987 7.919 -9.862 1.00 20.55 H new ATOM 0 HE2 LYS A 96 -12.287 8.587 -10.459 1.00 22.31 H new ATOM 0 HE3 LYS A 96 -11.894 10.272 -10.183 1.00 22.31 H new ATOM 0 HZ1 LYS A 96 -11.751 9.848 -12.496 1.00 73.41 H new ATOM 0 HZ2 LYS A 96 -10.160 10.047 -11.935 1.00 73.41 H new ATOM 0 HZ3 LYS A 96 -10.755 8.492 -12.269 1.00 73.41 H new ATOM 1656 N ILE A 97 -6.650 8.834 -5.764 1.00 24.42 N ATOM 1657 CA ILE A 97 -5.777 8.776 -4.566 1.00 52.40 C ATOM 1658 C ILE A 97 -4.711 9.901 -4.601 1.00 14.44 C ATOM 1659 O ILE A 97 -4.315 10.443 -3.559 1.00 34.40 O ATOM 1660 CB ILE A 97 -5.093 7.363 -4.443 1.00 44.34 C ATOM 1661 CG1 ILE A 97 -6.162 6.225 -4.518 1.00 32.32 C ATOM 1662 CG2 ILE A 97 -4.244 7.243 -3.154 1.00 71.11 C ATOM 1663 CD1 ILE A 97 -7.308 6.313 -3.509 1.00 62.34 C ATOM 0 H ILE A 97 -6.441 8.117 -6.458 1.00 24.42 H new ATOM 0 HA ILE A 97 -6.401 8.931 -3.686 1.00 52.40 H new ATOM 0 HB ILE A 97 -4.412 7.253 -5.287 1.00 44.34 H new ATOM 0 HG12 ILE A 97 -6.588 6.219 -5.521 1.00 32.32 H new ATOM 0 HG13 ILE A 97 -5.656 5.269 -4.381 1.00 32.32 H new ATOM 0 HG21 ILE A 97 -3.790 6.253 -3.108 1.00 71.11 H new ATOM 0 HG22 ILE A 97 -3.461 8.001 -3.162 1.00 71.11 H new ATOM 0 HG23 ILE A 97 -4.882 7.390 -2.283 1.00 71.11 H new ATOM 0 HD11 ILE A 97 -7.987 5.473 -3.655 1.00 62.34 H new ATOM 0 HD12 ILE A 97 -6.905 6.282 -2.497 1.00 62.34 H new ATOM 0 HD13 ILE A 97 -7.851 7.247 -3.655 1.00 62.34 H new ATOM 1675 N GLU A 98 -4.294 10.254 -5.827 1.00 74.34 N ATOM 1676 CA GLU A 98 -3.364 11.363 -6.106 1.00 43.43 C ATOM 1677 C GLU A 98 -4.092 12.698 -5.852 1.00 73.51 C ATOM 1678 O GLU A 98 -3.495 13.655 -5.363 1.00 54.31 O ATOM 1679 CB GLU A 98 -2.837 11.235 -7.573 1.00 1.23 C ATOM 1680 CG GLU A 98 -1.700 12.208 -7.999 1.00 14.31 C ATOM 1681 CD GLU A 98 -2.159 13.624 -8.422 1.00 32.05 C ATOM 1682 OE1 GLU A 98 -3.294 13.776 -8.931 1.00 54.50 O ATOM 1683 OE2 GLU A 98 -1.366 14.578 -8.297 1.00 13.11 O ATOM 0 H GLU A 98 -4.599 9.768 -6.670 1.00 74.34 H new ATOM 0 HA GLU A 98 -2.498 11.327 -5.446 1.00 43.43 H new ATOM 0 HB2 GLU A 98 -2.483 10.215 -7.719 1.00 1.23 H new ATOM 0 HB3 GLU A 98 -3.679 11.380 -8.250 1.00 1.23 H new ATOM 0 HG2 GLU A 98 -0.999 12.305 -7.170 1.00 14.31 H new ATOM 0 HG3 GLU A 98 -1.153 11.759 -8.828 1.00 14.31 H new ATOM 1690 N SER A 99 -5.405 12.722 -6.158 1.00 74.51 N ATOM 1691 CA SER A 99 -6.285 13.864 -5.855 1.00 42.51 C ATOM 1692 C SER A 99 -6.450 14.024 -4.327 1.00 71.51 C ATOM 1693 O SER A 99 -6.583 15.143 -3.817 1.00 11.32 O ATOM 1694 CB SER A 99 -7.663 13.672 -6.525 1.00 13.04 C ATOM 1695 OG SER A 99 -8.533 14.769 -6.278 1.00 15.12 O ATOM 0 H SER A 99 -5.883 11.950 -6.622 1.00 74.51 H new ATOM 0 HA SER A 99 -5.828 14.770 -6.253 1.00 42.51 H new ATOM 0 HB2 SER A 99 -7.530 13.550 -7.600 1.00 13.04 H new ATOM 0 HB3 SER A 99 -8.122 12.755 -6.155 1.00 13.04 H new ATOM 0 HG SER A 99 -9.393 14.610 -6.720 1.00 15.12 H new ATOM 1701 N GLN A 100 -6.437 12.878 -3.608 1.00 33.45 N ATOM 1702 CA GLN A 100 -6.505 12.836 -2.128 1.00 51.05 C ATOM 1703 C GLN A 100 -5.153 13.221 -1.484 1.00 54.42 C ATOM 1704 O GLN A 100 -5.057 13.296 -0.260 1.00 30.31 O ATOM 1705 CB GLN A 100 -6.946 11.424 -1.646 1.00 54.12 C ATOM 1706 CG GLN A 100 -8.386 11.035 -2.034 1.00 13.04 C ATOM 1707 CD GLN A 100 -8.730 9.574 -1.727 1.00 25.34 C ATOM 1708 OE1 GLN A 100 -8.181 8.967 -0.803 1.00 51.23 O ATOM 1709 NE2 GLN A 100 -9.654 9.007 -2.488 1.00 23.22 N ATOM 0 H GLN A 100 -6.379 11.955 -4.038 1.00 33.45 H new ATOM 0 HA GLN A 100 -7.246 13.570 -1.811 1.00 51.05 H new ATOM 0 HB2 GLN A 100 -6.260 10.683 -2.057 1.00 54.12 H new ATOM 0 HB3 GLN A 100 -6.851 11.379 -0.561 1.00 54.12 H new ATOM 0 HG2 GLN A 100 -9.084 11.683 -1.504 1.00 13.04 H new ATOM 0 HG3 GLN A 100 -8.528 11.217 -3.099 1.00 13.04 H new ATOM 0 HE21 GLN A 100 -10.088 9.537 -3.244 1.00 23.22 H new ATOM 0 HE22 GLN A 100 -9.932 8.040 -2.318 1.00 23.22 H new ATOM 1718 N GLY A 101 -4.110 13.422 -2.319 1.00 5.33 N ATOM 1719 CA GLY A 101 -2.813 13.938 -1.862 1.00 24.34 C ATOM 1720 C GLY A 101 -1.893 12.858 -1.305 1.00 34.55 C ATOM 1721 O GLY A 101 -1.071 13.132 -0.425 1.00 0.03 O ATOM 0 H GLY A 101 -4.148 13.231 -3.320 1.00 5.33 H new ATOM 0 HA2 GLY A 101 -2.315 14.435 -2.694 1.00 24.34 H new ATOM 0 HA3 GLY A 101 -2.981 14.693 -1.094 1.00 24.34 H new ATOM 1725 N TYR A 102 -2.041 11.623 -1.808 1.00 72.14 N ATOM 1726 CA TYR A 102 -1.168 10.487 -1.441 1.00 0.13 C ATOM 1727 C TYR A 102 -0.263 10.129 -2.619 1.00 44.42 C ATOM 1728 O TYR A 102 -0.573 10.448 -3.779 1.00 21.21 O ATOM 1729 CB TYR A 102 -1.998 9.241 -1.042 1.00 64.12 C ATOM 1730 CG TYR A 102 -2.852 9.416 0.223 1.00 24.44 C ATOM 1731 CD1 TYR A 102 -2.271 9.380 1.497 1.00 35.25 C ATOM 1732 CD2 TYR A 102 -4.235 9.612 0.145 1.00 15.22 C ATOM 1733 CE1 TYR A 102 -3.040 9.533 2.635 1.00 65.22 C ATOM 1734 CE2 TYR A 102 -5.002 9.766 1.286 1.00 11.34 C ATOM 1735 CZ TYR A 102 -4.400 9.724 2.525 1.00 11.40 C ATOM 1736 OH TYR A 102 -5.162 9.877 3.660 1.00 11.15 O ATOM 0 H TYR A 102 -2.768 11.379 -2.481 1.00 72.14 H new ATOM 0 HA TYR A 102 -0.567 10.791 -0.584 1.00 0.13 H new ATOM 0 HB2 TYR A 102 -2.653 8.977 -1.872 1.00 64.12 H new ATOM 0 HB3 TYR A 102 -1.319 8.402 -0.892 1.00 64.12 H new ATOM 0 HD1 TYR A 102 -1.206 9.230 1.591 1.00 35.25 H new ATOM 0 HD2 TYR A 102 -4.712 9.644 -0.823 1.00 15.22 H new ATOM 0 HE1 TYR A 102 -2.575 9.503 3.609 1.00 65.22 H new ATOM 0 HE2 TYR A 102 -6.068 9.919 1.206 1.00 11.34 H new ATOM 0 HH TYR A 102 -6.101 10.003 3.409 1.00 11.15 H new ATOM 1746 N GLU A 103 0.867 9.481 -2.303 1.00 41.20 N ATOM 1747 CA GLU A 103 1.757 8.918 -3.314 1.00 31.40 C ATOM 1748 C GLU A 103 1.173 7.581 -3.783 1.00 50.03 C ATOM 1749 O GLU A 103 0.929 6.696 -2.970 1.00 74.12 O ATOM 1750 CB GLU A 103 3.201 8.739 -2.763 1.00 73.43 C ATOM 1751 CG GLU A 103 4.194 8.066 -3.747 1.00 24.24 C ATOM 1752 CD GLU A 103 4.367 8.836 -5.074 1.00 63.31 C ATOM 1753 OE1 GLU A 103 3.547 8.654 -5.999 1.00 65.41 O ATOM 1754 OE2 GLU A 103 5.323 9.623 -5.209 1.00 61.22 O ATOM 0 H GLU A 103 1.184 9.336 -1.344 1.00 41.20 H new ATOM 0 HA GLU A 103 1.828 9.604 -4.158 1.00 31.40 H new ATOM 0 HB2 GLU A 103 3.593 9.718 -2.486 1.00 73.43 H new ATOM 0 HB3 GLU A 103 3.156 8.144 -1.851 1.00 73.43 H new ATOM 0 HG2 GLU A 103 5.166 7.972 -3.262 1.00 24.24 H new ATOM 0 HG3 GLU A 103 3.848 7.056 -3.965 1.00 24.24 H new ATOM 1761 N VAL A 104 0.902 7.477 -5.091 1.00 34.10 N ATOM 1762 CA VAL A 104 0.351 6.263 -5.717 1.00 53.30 C ATOM 1763 C VAL A 104 1.001 6.011 -7.093 1.00 32.42 C ATOM 1764 O VAL A 104 1.175 6.938 -7.889 1.00 63.15 O ATOM 1765 CB VAL A 104 -1.215 6.352 -5.835 1.00 33.35 C ATOM 1766 CG1 VAL A 104 -1.663 7.683 -6.480 1.00 71.45 C ATOM 1767 CG2 VAL A 104 -1.798 5.120 -6.580 1.00 44.45 C ATOM 0 H VAL A 104 1.060 8.238 -5.751 1.00 34.10 H new ATOM 0 HA VAL A 104 0.588 5.414 -5.076 1.00 53.30 H new ATOM 0 HB VAL A 104 -1.621 6.338 -4.824 1.00 33.35 H new ATOM 0 HG11 VAL A 104 -2.751 7.708 -6.545 1.00 71.45 H new ATOM 0 HG12 VAL A 104 -1.317 8.518 -5.870 1.00 71.45 H new ATOM 0 HG13 VAL A 104 -1.238 7.764 -7.481 1.00 71.45 H new ATOM 0 HG21 VAL A 104 -2.882 5.213 -6.644 1.00 44.45 H new ATOM 0 HG22 VAL A 104 -1.378 5.070 -7.585 1.00 44.45 H new ATOM 0 HG23 VAL A 104 -1.544 4.211 -6.035 1.00 44.45 H new ATOM 1777 N ARG A 105 1.365 4.746 -7.364 1.00 51.20 N ATOM 1778 CA ARG A 105 1.965 4.322 -8.644 1.00 21.45 C ATOM 1779 C ARG A 105 1.235 3.083 -9.171 1.00 61.34 C ATOM 1780 O ARG A 105 0.776 2.255 -8.387 1.00 52.22 O ATOM 1781 CB ARG A 105 3.478 4.019 -8.456 1.00 5.52 C ATOM 1782 CG ARG A 105 4.318 5.228 -7.975 1.00 10.23 C ATOM 1783 CD ARG A 105 4.349 6.391 -8.988 1.00 21.42 C ATOM 1784 NE ARG A 105 4.764 7.654 -8.365 1.00 44.00 N ATOM 1785 CZ ARG A 105 5.081 8.781 -9.013 1.00 33.25 C ATOM 1786 NH1 ARG A 105 5.059 8.850 -10.342 1.00 54.21 N ATOM 1787 NH2 ARG A 105 5.354 9.865 -8.308 1.00 13.13 N ATOM 0 H ARG A 105 1.251 3.982 -6.697 1.00 51.20 H new ATOM 0 HA ARG A 105 1.863 5.129 -9.370 1.00 21.45 H new ATOM 0 HB2 ARG A 105 3.587 3.207 -7.737 1.00 5.52 H new ATOM 0 HB3 ARG A 105 3.885 3.663 -9.402 1.00 5.52 H new ATOM 0 HG2 ARG A 105 3.914 5.589 -7.030 1.00 10.23 H new ATOM 0 HG3 ARG A 105 5.338 4.898 -7.780 1.00 10.23 H new ATOM 0 HD2 ARG A 105 5.033 6.146 -9.800 1.00 21.42 H new ATOM 0 HD3 ARG A 105 3.360 6.513 -9.430 1.00 21.42 H new ATOM 0 HE ARG A 105 4.815 7.674 -7.346 1.00 44.00 H new ATOM 0 HH11 ARG A 105 4.796 8.031 -10.891 1.00 54.21 H new ATOM 0 HH12 ARG A 105 5.305 9.721 -10.812 1.00 54.21 H new ATOM 0 HH21 ARG A 105 5.321 9.832 -7.289 1.00 13.13 H new ATOM 0 HH22 ARG A 105 5.598 10.734 -8.783 1.00 13.13 H new ATOM 1801 N LYS A 106 1.137 2.965 -10.504 1.00 12.11 N ATOM 1802 CA LYS A 106 0.511 1.808 -11.174 1.00 13.10 C ATOM 1803 C LYS A 106 1.606 1.039 -11.922 1.00 33.12 C ATOM 1804 O LYS A 106 2.424 1.633 -12.623 1.00 72.10 O ATOM 1805 CB LYS A 106 -0.623 2.286 -12.143 1.00 22.45 C ATOM 1806 CG LYS A 106 -1.561 1.191 -12.744 1.00 41.44 C ATOM 1807 CD LYS A 106 -0.946 0.309 -13.876 1.00 55.32 C ATOM 1808 CE LYS A 106 -0.699 1.033 -15.222 1.00 12.03 C ATOM 1809 NZ LYS A 106 0.268 2.161 -15.132 1.00 1.43 N ATOM 0 H LYS A 106 1.490 3.670 -11.152 1.00 12.11 H new ATOM 0 HA LYS A 106 0.046 1.149 -10.441 1.00 13.10 H new ATOM 0 HB2 LYS A 106 -1.243 3.005 -11.608 1.00 22.45 H new ATOM 0 HB3 LYS A 106 -0.157 2.821 -12.970 1.00 22.45 H new ATOM 0 HG2 LYS A 106 -1.886 0.536 -11.936 1.00 41.44 H new ATOM 0 HG3 LYS A 106 -2.453 1.680 -13.136 1.00 41.44 H new ATOM 0 HD2 LYS A 106 0.002 -0.097 -13.522 1.00 55.32 H new ATOM 0 HD3 LYS A 106 -1.609 -0.537 -14.055 1.00 55.32 H new ATOM 0 HE2 LYS A 106 -0.332 0.310 -15.950 1.00 12.03 H new ATOM 0 HE3 LYS A 106 -1.649 1.411 -15.600 1.00 12.03 H new ATOM 0 HZ1 LYS A 106 0.813 2.222 -16.015 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -0.249 3.051 -14.982 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 0.917 1.999 -14.335 1.00 1.43 H new ATOM 1823 N VAL A 107 1.584 -0.283 -11.763 1.00 72.23 N ATOM 1824 CA VAL A 107 2.437 -1.240 -12.483 1.00 22.14 C ATOM 1825 C VAL A 107 1.554 -2.401 -12.982 1.00 42.02 C ATOM 1826 O VAL A 107 0.363 -2.477 -12.649 1.00 14.33 O ATOM 1827 CB VAL A 107 3.624 -1.767 -11.584 1.00 74.43 C ATOM 1828 CG1 VAL A 107 4.595 -0.626 -11.215 1.00 42.30 C ATOM 1829 CG2 VAL A 107 3.100 -2.459 -10.319 1.00 55.25 C ATOM 0 H VAL A 107 0.950 -0.739 -11.106 1.00 72.23 H new ATOM 0 HA VAL A 107 2.900 -0.737 -13.332 1.00 22.14 H new ATOM 0 HB VAL A 107 4.173 -2.504 -12.170 1.00 74.43 H new ATOM 0 HG11 VAL A 107 5.401 -1.020 -10.596 1.00 42.30 H new ATOM 0 HG12 VAL A 107 5.013 -0.196 -12.125 1.00 42.30 H new ATOM 0 HG13 VAL A 107 4.057 0.145 -10.663 1.00 42.30 H new ATOM 0 HG21 VAL A 107 3.941 -2.810 -9.722 1.00 55.25 H new ATOM 0 HG22 VAL A 107 2.511 -1.752 -9.735 1.00 55.25 H new ATOM 0 HG23 VAL A 107 2.475 -3.307 -10.600 1.00 55.25 H new ATOM 1839 N THR A 108 2.130 -3.278 -13.801 1.00 32.32 N ATOM 1840 CA THR A 108 1.405 -4.399 -14.440 1.00 72.01 C ATOM 1841 C THR A 108 2.207 -5.715 -14.328 1.00 61.14 C ATOM 1842 O THR A 108 1.628 -6.808 -14.390 1.00 20.43 O ATOM 1843 CB THR A 108 1.103 -4.068 -15.948 1.00 0.45 C ATOM 1844 OG1 THR A 108 2.292 -3.558 -16.583 1.00 75.10 O ATOM 1845 CG2 THR A 108 -0.035 -3.036 -16.129 1.00 72.10 C ATOM 0 H THR A 108 3.119 -3.240 -14.048 1.00 32.32 H new ATOM 0 HA THR A 108 0.460 -4.533 -13.914 1.00 72.01 H new ATOM 0 HB THR A 108 0.779 -5.001 -16.409 1.00 0.45 H new ATOM 0 HG1 THR A 108 2.100 -3.355 -17.522 1.00 75.10 H new ATOM 0 HG21 THR A 108 -0.193 -2.852 -17.192 1.00 72.10 H new ATOM 0 HG22 THR A 108 -0.953 -3.425 -15.687 1.00 72.10 H new ATOM 0 HG23 THR A 108 0.238 -2.103 -15.636 1.00 72.10 H new ATOM 1853 N ASP A 109 3.537 -5.606 -14.166 1.00 53.33 N ATOM 1854 CA ASP A 109 4.430 -6.777 -14.057 1.00 55.22 C ATOM 1855 C ASP A 109 5.036 -6.864 -12.663 1.00 45.45 C ATOM 1856 O ASP A 109 5.061 -5.877 -11.910 1.00 53.43 O ATOM 1857 CB ASP A 109 5.550 -6.714 -15.120 1.00 31.45 C ATOM 1858 CG ASP A 109 4.990 -6.695 -16.546 1.00 32.42 C ATOM 1859 OD1 ASP A 109 4.537 -7.753 -17.041 1.00 42.51 O ATOM 1860 OD2 ASP A 109 4.969 -5.622 -17.171 1.00 32.21 O ATOM 0 H ASP A 109 4.023 -4.711 -14.107 1.00 53.33 H new ATOM 0 HA ASP A 109 3.833 -7.672 -14.234 1.00 55.22 H new ATOM 0 HB2 ASP A 109 6.155 -5.822 -14.956 1.00 31.45 H new ATOM 0 HB3 ASP A 109 6.210 -7.573 -15.002 1.00 31.45 H new ATOM 1865 N ASP A 110 5.551 -8.064 -12.360 1.00 52.23 N ATOM 1866 CA ASP A 110 6.120 -8.427 -11.054 1.00 20.20 C ATOM 1867 C ASP A 110 7.438 -7.696 -10.803 1.00 44.02 C ATOM 1868 O ASP A 110 7.571 -6.959 -9.819 1.00 0.05 O ATOM 1869 CB ASP A 110 6.332 -9.969 -10.974 1.00 20.43 C ATOM 1870 CG ASP A 110 5.012 -10.750 -11.064 1.00 72.02 C ATOM 1871 OD1 ASP A 110 4.391 -10.750 -12.154 1.00 51.21 O ATOM 1872 OD2 ASP A 110 4.602 -11.389 -10.068 1.00 25.23 O ATOM 0 H ASP A 110 5.584 -8.829 -13.034 1.00 52.23 H new ATOM 0 HA ASP A 110 5.416 -8.123 -10.279 1.00 20.20 H new ATOM 0 HB2 ASP A 110 6.993 -10.284 -11.782 1.00 20.43 H new ATOM 0 HB3 ASP A 110 6.833 -10.215 -10.038 1.00 20.43 H new ATOM 1877 N GLU A 111 8.394 -7.893 -11.725 1.00 22.05 N ATOM 1878 CA GLU A 111 9.739 -7.293 -11.644 1.00 13.40 C ATOM 1879 C GLU A 111 9.680 -5.746 -11.690 1.00 13.41 C ATOM 1880 O GLU A 111 10.541 -5.066 -11.130 1.00 13.13 O ATOM 1881 CB GLU A 111 10.664 -7.901 -12.754 1.00 72.04 C ATOM 1882 CG GLU A 111 10.107 -7.915 -14.205 1.00 12.02 C ATOM 1883 CD GLU A 111 10.114 -6.550 -14.921 1.00 54.13 C ATOM 1884 OE1 GLU A 111 11.206 -6.069 -15.287 1.00 32.12 O ATOM 1885 OE2 GLU A 111 9.034 -5.955 -15.117 1.00 33.30 O ATOM 0 H GLU A 111 8.257 -8.475 -12.551 1.00 22.05 H new ATOM 0 HA GLU A 111 10.178 -7.542 -10.678 1.00 13.40 H new ATOM 0 HB2 GLU A 111 11.602 -7.345 -12.756 1.00 72.04 H new ATOM 0 HB3 GLU A 111 10.902 -8.927 -12.472 1.00 72.04 H new ATOM 0 HG2 GLU A 111 10.692 -8.621 -14.795 1.00 12.02 H new ATOM 0 HG3 GLU A 111 9.084 -8.290 -14.181 1.00 12.02 H new ATOM 1892 N GLU A 112 8.632 -5.220 -12.345 1.00 13.42 N ATOM 1893 CA GLU A 112 8.351 -3.780 -12.435 1.00 52.30 C ATOM 1894 C GLU A 112 7.926 -3.230 -11.066 1.00 15.22 C ATOM 1895 O GLU A 112 8.407 -2.179 -10.633 1.00 60.35 O ATOM 1896 CB GLU A 112 7.240 -3.552 -13.487 1.00 55.13 C ATOM 1897 CG GLU A 112 6.860 -2.080 -13.715 1.00 14.41 C ATOM 1898 CD GLU A 112 5.723 -1.871 -14.722 1.00 23.14 C ATOM 1899 OE1 GLU A 112 4.866 -2.767 -14.883 1.00 72.34 O ATOM 1900 OE2 GLU A 112 5.665 -0.799 -15.349 1.00 11.24 O ATOM 0 H GLU A 112 7.946 -5.794 -12.835 1.00 13.42 H new ATOM 0 HA GLU A 112 9.252 -3.249 -12.741 1.00 52.30 H new ATOM 0 HB2 GLU A 112 7.564 -3.980 -14.436 1.00 55.13 H new ATOM 0 HB3 GLU A 112 6.349 -4.099 -13.178 1.00 55.13 H new ATOM 0 HG2 GLU A 112 6.570 -1.640 -12.761 1.00 14.41 H new ATOM 0 HG3 GLU A 112 7.741 -1.539 -14.061 1.00 14.41 H new ATOM 1907 N ALA A 113 7.032 -3.979 -10.394 1.00 10.41 N ATOM 1908 CA ALA A 113 6.530 -3.631 -9.052 1.00 51.50 C ATOM 1909 C ALA A 113 7.674 -3.563 -8.035 1.00 4.12 C ATOM 1910 O ALA A 113 7.748 -2.622 -7.250 1.00 2.33 O ATOM 1911 CB ALA A 113 5.478 -4.645 -8.584 1.00 1.15 C ATOM 0 H ALA A 113 6.637 -4.843 -10.766 1.00 10.41 H new ATOM 0 HA ALA A 113 6.067 -2.647 -9.120 1.00 51.50 H new ATOM 0 HB1 ALA A 113 5.122 -4.368 -7.592 1.00 1.15 H new ATOM 0 HB2 ALA A 113 4.641 -4.649 -9.282 1.00 1.15 H new ATOM 0 HB3 ALA A 113 5.923 -5.639 -8.545 1.00 1.15 H new ATOM 1917 N LEU A 114 8.575 -4.565 -8.109 1.00 62.21 N ATOM 1918 CA LEU A 114 9.733 -4.713 -7.202 1.00 12.43 C ATOM 1919 C LEU A 114 10.691 -3.498 -7.274 1.00 42.13 C ATOM 1920 O LEU A 114 11.379 -3.183 -6.288 1.00 31.43 O ATOM 1921 CB LEU A 114 10.487 -6.029 -7.535 1.00 23.02 C ATOM 1922 CG LEU A 114 9.672 -7.351 -7.322 1.00 2.22 C ATOM 1923 CD1 LEU A 114 10.439 -8.581 -7.855 1.00 14.24 C ATOM 1924 CD2 LEU A 114 9.276 -7.538 -5.835 1.00 62.25 C ATOM 0 H LEU A 114 8.518 -5.304 -8.810 1.00 62.21 H new ATOM 0 HA LEU A 114 9.358 -4.756 -6.179 1.00 12.43 H new ATOM 0 HB2 LEU A 114 10.811 -5.987 -8.575 1.00 23.02 H new ATOM 0 HB3 LEU A 114 11.387 -6.076 -6.922 1.00 23.02 H new ATOM 0 HG LEU A 114 8.752 -7.262 -7.900 1.00 2.22 H new ATOM 0 HD11 LEU A 114 9.845 -9.480 -7.691 1.00 14.24 H new ATOM 0 HD12 LEU A 114 10.625 -8.459 -8.922 1.00 14.24 H new ATOM 0 HD13 LEU A 114 11.389 -8.673 -7.329 1.00 14.24 H new ATOM 0 HD21 LEU A 114 8.712 -8.464 -5.722 1.00 62.25 H new ATOM 0 HD22 LEU A 114 10.176 -7.584 -5.222 1.00 62.25 H new ATOM 0 HD23 LEU A 114 8.661 -6.697 -5.514 1.00 62.25 H new ATOM 1936 N LYS A 115 10.728 -2.831 -8.453 1.00 34.50 N ATOM 1937 CA LYS A 115 11.466 -1.561 -8.640 1.00 11.23 C ATOM 1938 C LYS A 115 10.827 -0.464 -7.780 1.00 64.13 C ATOM 1939 O LYS A 115 11.497 0.191 -6.980 1.00 30.44 O ATOM 1940 CB LYS A 115 11.451 -1.100 -10.129 1.00 64.30 C ATOM 1941 CG LYS A 115 12.067 -2.094 -11.129 1.00 34.03 C ATOM 1942 CD LYS A 115 11.982 -1.575 -12.586 1.00 22.30 C ATOM 1943 CE LYS A 115 12.566 -2.559 -13.610 1.00 4.33 C ATOM 1944 NZ LYS A 115 11.821 -3.843 -13.635 1.00 51.50 N ATOM 0 H LYS A 115 10.251 -3.156 -9.294 1.00 34.50 H new ATOM 0 HA LYS A 115 12.500 -1.733 -8.340 1.00 11.23 H new ATOM 0 HB2 LYS A 115 10.419 -0.907 -10.422 1.00 64.30 H new ATOM 0 HB3 LYS A 115 11.987 -0.154 -10.205 1.00 64.30 H new ATOM 0 HG2 LYS A 115 13.110 -2.273 -10.868 1.00 34.03 H new ATOM 0 HG3 LYS A 115 11.551 -3.051 -11.054 1.00 34.03 H new ATOM 0 HD2 LYS A 115 10.939 -1.377 -12.835 1.00 22.30 H new ATOM 0 HD3 LYS A 115 12.513 -0.626 -12.659 1.00 22.30 H new ATOM 0 HE2 LYS A 115 12.542 -2.107 -14.602 1.00 4.33 H new ATOM 0 HE3 LYS A 115 13.612 -2.751 -13.372 1.00 4.33 H new ATOM 0 HZ1 LYS A 115 12.278 -4.497 -14.302 1.00 51.50 H new ATOM 0 HZ2 LYS A 115 11.821 -4.263 -12.684 1.00 51.50 H new ATOM 0 HZ3 LYS A 115 10.841 -3.670 -13.937 1.00 51.50 H new ATOM 1958 N ILE A 116 9.496 -0.330 -7.939 1.00 11.31 N ATOM 1959 CA ILE A 116 8.718 0.788 -7.377 1.00 72.22 C ATOM 1960 C ILE A 116 8.618 0.703 -5.834 1.00 62.12 C ATOM 1961 O ILE A 116 8.547 1.733 -5.158 1.00 13.22 O ATOM 1962 CB ILE A 116 7.294 0.880 -8.030 1.00 54.03 C ATOM 1963 CG1 ILE A 116 7.387 0.813 -9.591 1.00 23.34 C ATOM 1964 CG2 ILE A 116 6.558 2.165 -7.589 1.00 50.10 C ATOM 1965 CD1 ILE A 116 8.222 1.901 -10.266 1.00 20.13 C ATOM 0 H ILE A 116 8.930 -0.997 -8.463 1.00 11.31 H new ATOM 0 HA ILE A 116 9.257 1.704 -7.618 1.00 72.22 H new ATOM 0 HB ILE A 116 6.718 0.022 -7.683 1.00 54.03 H new ATOM 0 HG12 ILE A 116 7.800 -0.157 -9.868 1.00 23.34 H new ATOM 0 HG13 ILE A 116 6.376 0.856 -9.996 1.00 23.34 H new ATOM 0 HG21 ILE A 116 5.575 2.200 -8.058 1.00 50.10 H new ATOM 0 HG22 ILE A 116 6.443 2.165 -6.505 1.00 50.10 H new ATOM 0 HG23 ILE A 116 7.136 3.038 -7.893 1.00 50.10 H new ATOM 0 HD11 ILE A 116 8.212 1.750 -11.345 1.00 20.13 H new ATOM 0 HD12 ILE A 116 7.802 2.879 -10.032 1.00 20.13 H new ATOM 0 HD13 ILE A 116 9.248 1.850 -9.902 1.00 20.13 H new ATOM 1977 N VAL A 117 8.647 -0.535 -5.298 1.00 34.43 N ATOM 1978 CA VAL A 117 8.710 -0.803 -3.841 1.00 64.03 C ATOM 1979 C VAL A 117 9.946 -0.109 -3.224 1.00 13.34 C ATOM 1980 O VAL A 117 9.856 0.543 -2.171 1.00 31.53 O ATOM 1981 CB VAL A 117 8.755 -2.358 -3.554 1.00 34.53 C ATOM 1982 CG1 VAL A 117 8.909 -2.670 -2.046 1.00 41.33 C ATOM 1983 CG2 VAL A 117 7.501 -3.059 -4.126 1.00 11.23 C ATOM 0 H VAL A 117 8.627 -1.383 -5.865 1.00 34.43 H new ATOM 0 HA VAL A 117 7.809 -0.398 -3.380 1.00 64.03 H new ATOM 0 HB VAL A 117 9.638 -2.750 -4.059 1.00 34.53 H new ATOM 0 HG11 VAL A 117 8.935 -3.750 -1.899 1.00 41.33 H new ATOM 0 HG12 VAL A 117 9.836 -2.231 -1.676 1.00 41.33 H new ATOM 0 HG13 VAL A 117 8.065 -2.249 -1.499 1.00 41.33 H new ATOM 0 HG21 VAL A 117 7.554 -4.127 -3.917 1.00 11.23 H new ATOM 0 HG22 VAL A 117 6.607 -2.642 -3.661 1.00 11.23 H new ATOM 0 HG23 VAL A 117 7.456 -2.902 -5.204 1.00 11.23 H new ATOM 1993 N ARG A 118 11.081 -0.214 -3.940 1.00 33.43 N ATOM 1994 CA ARG A 118 12.364 0.389 -3.534 1.00 41.32 C ATOM 1995 C ARG A 118 12.347 1.917 -3.715 1.00 10.42 C ATOM 1996 O ARG A 118 13.047 2.632 -2.988 1.00 32.31 O ATOM 1997 CB ARG A 118 13.534 -0.232 -4.335 1.00 50.44 C ATOM 1998 CG ARG A 118 13.756 -1.733 -4.056 1.00 25.50 C ATOM 1999 CD ARG A 118 14.943 -2.308 -4.841 1.00 21.12 C ATOM 2000 NE ARG A 118 15.207 -3.713 -4.503 1.00 72.53 N ATOM 2001 CZ ARG A 118 16.118 -4.494 -5.100 1.00 72.40 C ATOM 2002 NH1 ARG A 118 16.878 -4.024 -6.088 1.00 30.42 N ATOM 2003 NH2 ARG A 118 16.263 -5.746 -4.686 1.00 34.54 N ATOM 0 H ARG A 118 11.134 -0.723 -4.822 1.00 33.43 H new ATOM 0 HA ARG A 118 12.510 0.176 -2.475 1.00 41.32 H new ATOM 0 HB2 ARG A 118 13.346 -0.094 -5.400 1.00 50.44 H new ATOM 0 HB3 ARG A 118 14.450 0.310 -4.101 1.00 50.44 H new ATOM 0 HG2 ARG A 118 13.925 -1.880 -2.989 1.00 25.50 H new ATOM 0 HG3 ARG A 118 12.852 -2.285 -4.315 1.00 25.50 H new ATOM 0 HD2 ARG A 118 14.744 -2.225 -5.909 1.00 21.12 H new ATOM 0 HD3 ARG A 118 15.833 -1.714 -4.636 1.00 21.12 H new ATOM 0 HE ARG A 118 14.653 -4.127 -3.754 1.00 72.53 H new ATOM 0 HH11 ARG A 118 16.771 -3.059 -6.399 1.00 30.42 H new ATOM 0 HH12 ARG A 118 17.567 -4.630 -6.533 1.00 30.42 H new ATOM 0 HH21 ARG A 118 15.686 -6.101 -3.924 1.00 34.54 H new ATOM 0 HH22 ARG A 118 16.952 -6.353 -5.130 1.00 34.54 H new ATOM 2017 N GLU A 119 11.552 2.406 -4.693 1.00 1.11 N ATOM 2018 CA GLU A 119 11.373 3.854 -4.926 1.00 72.01 C ATOM 2019 C GLU A 119 10.662 4.493 -3.716 1.00 33.44 C ATOM 2020 O GLU A 119 11.105 5.517 -3.208 1.00 64.25 O ATOM 2021 CB GLU A 119 10.571 4.132 -6.232 1.00 70.14 C ATOM 2022 CG GLU A 119 11.117 3.434 -7.498 1.00 41.34 C ATOM 2023 CD GLU A 119 12.588 3.756 -7.818 1.00 22.20 C ATOM 2024 OE1 GLU A 119 12.846 4.764 -8.513 1.00 42.11 O ATOM 2025 OE2 GLU A 119 13.493 3.016 -7.377 1.00 12.24 O ATOM 0 H GLU A 119 11.023 1.815 -5.335 1.00 1.11 H new ATOM 0 HA GLU A 119 12.360 4.301 -5.046 1.00 72.01 H new ATOM 0 HB2 GLU A 119 9.538 3.818 -6.080 1.00 70.14 H new ATOM 0 HB3 GLU A 119 10.554 5.208 -6.408 1.00 70.14 H new ATOM 0 HG2 GLU A 119 11.012 2.356 -7.377 1.00 41.34 H new ATOM 0 HG3 GLU A 119 10.501 3.721 -8.350 1.00 41.34 H new ATOM 2032 N PHE A 120 9.566 3.840 -3.253 1.00 54.30 N ATOM 2033 CA PHE A 120 8.794 4.272 -2.057 1.00 14.41 C ATOM 2034 C PHE A 120 9.684 4.389 -0.809 1.00 34.23 C ATOM 2035 O PHE A 120 9.488 5.288 0.008 1.00 51.45 O ATOM 2036 CB PHE A 120 7.635 3.293 -1.745 1.00 20.00 C ATOM 2037 CG PHE A 120 6.562 3.202 -2.823 1.00 32.10 C ATOM 2038 CD1 PHE A 120 6.019 4.355 -3.400 1.00 21.03 C ATOM 2039 CD2 PHE A 120 6.080 1.969 -3.243 1.00 31.34 C ATOM 2040 CE1 PHE A 120 5.030 4.267 -4.360 1.00 53.34 C ATOM 2041 CE2 PHE A 120 5.096 1.886 -4.194 1.00 43.13 C ATOM 2042 CZ PHE A 120 4.566 3.031 -4.754 1.00 3.34 C ATOM 0 H PHE A 120 9.192 3.001 -3.696 1.00 54.30 H new ATOM 0 HA PHE A 120 8.388 5.254 -2.300 1.00 14.41 H new ATOM 0 HB2 PHE A 120 8.052 2.299 -1.584 1.00 20.00 H new ATOM 0 HB3 PHE A 120 7.165 3.597 -0.810 1.00 20.00 H new ATOM 0 HD1 PHE A 120 6.378 5.326 -3.091 1.00 21.03 H new ATOM 0 HD2 PHE A 120 6.485 1.064 -2.815 1.00 31.34 H new ATOM 0 HE1 PHE A 120 4.622 5.164 -4.801 1.00 53.34 H new ATOM 0 HE2 PHE A 120 4.733 0.918 -4.507 1.00 43.13 H new ATOM 0 HZ PHE A 120 3.789 2.958 -5.500 1.00 3.34 H new ATOM 2052 N MET A 121 10.657 3.461 -0.694 1.00 53.44 N ATOM 2053 CA MET A 121 11.627 3.418 0.420 1.00 33.04 C ATOM 2054 C MET A 121 12.500 4.690 0.470 1.00 74.42 C ATOM 2055 O MET A 121 12.870 5.145 1.552 1.00 62.40 O ATOM 2056 CB MET A 121 12.530 2.165 0.306 1.00 55.44 C ATOM 2057 CG MET A 121 11.777 0.852 0.472 1.00 53.15 C ATOM 2058 SD MET A 121 12.846 -0.584 0.277 1.00 41.51 S ATOM 2059 CE MET A 121 11.658 -1.887 0.550 1.00 20.10 C ATOM 0 H MET A 121 10.792 2.715 -1.377 1.00 53.44 H new ATOM 0 HA MET A 121 11.054 3.367 1.346 1.00 33.04 H new ATOM 0 HB2 MET A 121 13.023 2.171 -0.666 1.00 55.44 H new ATOM 0 HB3 MET A 121 13.314 2.223 1.062 1.00 55.44 H new ATOM 0 HG2 MET A 121 11.313 0.825 1.458 1.00 53.15 H new ATOM 0 HG3 MET A 121 10.971 0.804 -0.261 1.00 53.15 H new ATOM 0 HE1 MET A 121 12.152 -2.737 1.020 1.00 20.10 H new ATOM 0 HE2 MET A 121 10.863 -1.524 1.201 1.00 20.10 H new ATOM 0 HE3 MET A 121 11.232 -2.197 -0.404 1.00 20.10 H new ATOM 2069 N GLN A 122 12.810 5.249 -0.720 1.00 43.24 N ATOM 2070 CA GLN A 122 13.629 6.480 -0.871 1.00 52.11 C ATOM 2071 C GLN A 122 12.879 7.702 -0.313 1.00 44.32 C ATOM 2072 O GLN A 122 13.424 8.465 0.486 1.00 34.53 O ATOM 2073 CB GLN A 122 13.990 6.695 -2.367 1.00 33.54 C ATOM 2074 CG GLN A 122 14.721 5.494 -2.989 1.00 54.25 C ATOM 2075 CD GLN A 122 14.871 5.565 -4.511 1.00 60.21 C ATOM 2076 OE1 GLN A 122 14.989 6.641 -5.094 1.00 15.23 O ATOM 2077 NE2 GLN A 122 14.867 4.410 -5.167 1.00 43.41 N ATOM 0 H GLN A 122 12.499 4.860 -1.610 1.00 43.24 H new ATOM 0 HA GLN A 122 14.551 6.361 -0.301 1.00 52.11 H new ATOM 0 HB2 GLN A 122 13.077 6.889 -2.931 1.00 33.54 H new ATOM 0 HB3 GLN A 122 14.617 7.582 -2.460 1.00 33.54 H new ATOM 0 HG2 GLN A 122 15.712 5.416 -2.542 1.00 54.25 H new ATOM 0 HG3 GLN A 122 14.182 4.582 -2.731 1.00 54.25 H new ATOM 0 HE21 GLN A 122 14.767 3.533 -4.655 1.00 43.41 H new ATOM 0 HE22 GLN A 122 14.964 4.400 -6.182 1.00 43.41 H new ATOM 2086 N LYS A 123 11.597 7.836 -0.709 1.00 11.02 N ATOM 2087 CA LYS A 123 10.722 8.949 -0.267 1.00 41.53 C ATOM 2088 C LYS A 123 10.325 8.760 1.216 1.00 55.03 C ATOM 2089 O LYS A 123 10.093 9.735 1.939 1.00 51.11 O ATOM 2090 CB LYS A 123 9.447 9.090 -1.173 1.00 21.24 C ATOM 2091 CG LYS A 123 9.715 9.540 -2.642 1.00 64.12 C ATOM 2092 CD LYS A 123 10.312 8.417 -3.519 1.00 54.52 C ATOM 2093 CE LYS A 123 10.799 8.883 -4.896 1.00 54.41 C ATOM 2094 NZ LYS A 123 9.724 9.486 -5.702 1.00 3.23 N ATOM 0 H LYS A 123 11.138 7.181 -1.341 1.00 11.02 H new ATOM 0 HA LYS A 123 11.288 9.875 -0.366 1.00 41.53 H new ATOM 0 HB2 LYS A 123 8.929 8.131 -1.194 1.00 21.24 H new ATOM 0 HB3 LYS A 123 8.770 9.808 -0.709 1.00 21.24 H new ATOM 0 HG2 LYS A 123 8.781 9.883 -3.087 1.00 64.12 H new ATOM 0 HG3 LYS A 123 10.397 10.390 -2.637 1.00 64.12 H new ATOM 0 HD2 LYS A 123 11.147 7.961 -2.987 1.00 54.52 H new ATOM 0 HD3 LYS A 123 9.559 7.641 -3.656 1.00 54.52 H new ATOM 0 HE2 LYS A 123 11.602 9.609 -4.767 1.00 54.41 H new ATOM 0 HE3 LYS A 123 11.220 8.034 -5.435 1.00 54.41 H new ATOM 0 HZ1 LYS A 123 10.106 9.784 -6.622 1.00 3.23 H new ATOM 0 HZ2 LYS A 123 8.968 8.788 -5.850 1.00 3.23 H new ATOM 0 HZ3 LYS A 123 9.338 10.313 -5.203 1.00 3.23 H new ATOM 2108 N ALA A 124 10.286 7.481 1.657 1.00 71.13 N ATOM 2109 CA ALA A 124 10.061 7.109 3.068 1.00 2.24 C ATOM 2110 C ALA A 124 11.333 7.378 3.893 1.00 23.51 C ATOM 2111 O ALA A 124 11.255 7.595 5.098 1.00 11.31 O ATOM 2112 CB ALA A 124 9.635 5.628 3.188 1.00 14.24 C ATOM 0 H ALA A 124 10.410 6.678 1.040 1.00 71.13 H new ATOM 0 HA ALA A 124 9.251 7.722 3.463 1.00 2.24 H new ATOM 0 HB1 ALA A 124 9.476 5.379 4.237 1.00 14.24 H new ATOM 0 HB2 ALA A 124 8.711 5.469 2.633 1.00 14.24 H new ATOM 0 HB3 ALA A 124 10.418 4.990 2.779 1.00 14.24 H new ATOM 2118 N GLY A 125 12.501 7.369 3.205 1.00 43.50 N ATOM 2119 CA GLY A 125 13.793 7.705 3.813 1.00 4.24 C ATOM 2120 C GLY A 125 13.873 9.173 4.211 1.00 2.45 C ATOM 2121 O GLY A 125 14.465 9.514 5.234 1.00 60.45 O ATOM 0 H GLY A 125 12.564 7.128 2.216 1.00 43.50 H new ATOM 0 HA2 GLY A 125 13.952 7.082 4.693 1.00 4.24 H new ATOM 0 HA3 GLY A 125 14.594 7.476 3.111 1.00 4.24 H new ATOM 2125 N SER A 126 13.237 10.040 3.399 1.00 64.53 N ATOM 2126 CA SER A 126 13.100 11.479 3.700 1.00 54.50 C ATOM 2127 C SER A 126 12.204 11.725 4.944 1.00 12.02 C ATOM 2128 O SER A 126 12.253 12.794 5.546 1.00 73.44 O ATOM 2129 CB SER A 126 12.525 12.205 2.467 1.00 24.31 C ATOM 2130 OG SER A 126 13.375 12.049 1.343 1.00 2.05 O ATOM 0 H SER A 126 12.804 9.763 2.518 1.00 64.53 H new ATOM 0 HA SER A 126 14.088 11.877 3.933 1.00 54.50 H new ATOM 0 HB2 SER A 126 11.536 11.810 2.237 1.00 24.31 H new ATOM 0 HB3 SER A 126 12.401 13.265 2.690 1.00 24.31 H new ATOM 0 HG SER A 126 12.989 12.516 0.573 1.00 2.05 H new ATOM 2136 N LEU A 127 11.376 10.726 5.297 1.00 43.43 N ATOM 2137 CA LEU A 127 10.535 10.748 6.513 1.00 21.02 C ATOM 2138 C LEU A 127 11.346 10.215 7.713 1.00 65.02 C ATOM 2139 O LEU A 127 11.251 10.759 8.823 1.00 14.14 O ATOM 2140 CB LEU A 127 9.263 9.890 6.284 1.00 32.02 C ATOM 2141 CG LEU A 127 8.347 10.345 5.108 1.00 33.12 C ATOM 2142 CD1 LEU A 127 7.273 9.282 4.800 1.00 51.24 C ATOM 2143 CD2 LEU A 127 7.713 11.732 5.398 1.00 34.40 C ATOM 0 H LEU A 127 11.269 9.875 4.745 1.00 43.43 H new ATOM 0 HA LEU A 127 10.228 11.771 6.729 1.00 21.02 H new ATOM 0 HB2 LEU A 127 9.569 8.859 6.105 1.00 32.02 H new ATOM 0 HB3 LEU A 127 8.674 9.893 7.201 1.00 32.02 H new ATOM 0 HG LEU A 127 8.967 10.450 4.218 1.00 33.12 H new ATOM 0 HD11 LEU A 127 6.648 9.625 3.976 1.00 51.24 H new ATOM 0 HD12 LEU A 127 7.757 8.345 4.523 1.00 51.24 H new ATOM 0 HD13 LEU A 127 6.654 9.123 5.683 1.00 51.24 H new ATOM 0 HD21 LEU A 127 7.079 12.024 4.561 1.00 34.40 H new ATOM 0 HD22 LEU A 127 7.112 11.675 6.306 1.00 34.40 H new ATOM 0 HD23 LEU A 127 8.502 12.472 5.531 1.00 34.40 H new ATOM 2155 N GLU A 128 12.145 9.146 7.457 1.00 15.14 N ATOM 2156 CA GLU A 128 13.040 8.510 8.457 1.00 23.04 C ATOM 2157 C GLU A 128 13.981 9.553 9.079 1.00 70.34 C ATOM 2158 O GLU A 128 14.011 9.743 10.297 1.00 22.13 O ATOM 2159 CB GLU A 128 13.896 7.384 7.792 1.00 13.43 C ATOM 2160 CG GLU A 128 13.112 6.154 7.304 1.00 64.52 C ATOM 2161 CD GLU A 128 12.453 5.369 8.444 1.00 54.11 C ATOM 2162 OE1 GLU A 128 13.169 4.669 9.194 1.00 32.21 O ATOM 2163 OE2 GLU A 128 11.231 5.435 8.601 1.00 42.34 O ATOM 0 H GLU A 128 12.185 8.698 6.541 1.00 15.14 H new ATOM 0 HA GLU A 128 12.414 8.076 9.236 1.00 23.04 H new ATOM 0 HB2 GLU A 128 14.431 7.812 6.944 1.00 13.43 H new ATOM 0 HB3 GLU A 128 14.648 7.053 8.508 1.00 13.43 H new ATOM 0 HG2 GLU A 128 12.344 6.476 6.601 1.00 64.52 H new ATOM 0 HG3 GLU A 128 13.786 5.494 6.759 1.00 64.52 H new ATOM 2170 N HIS A 129 14.718 10.232 8.196 1.00 65.33 N ATOM 2171 CA HIS A 129 15.691 11.261 8.561 1.00 4.01 C ATOM 2172 C HIS A 129 16.083 12.058 7.311 1.00 1.34 C ATOM 2173 O HIS A 129 16.267 11.475 6.237 1.00 12.31 O ATOM 2174 CB HIS A 129 16.949 10.625 9.210 1.00 32.13 C ATOM 2175 CG HIS A 129 17.987 11.632 9.625 1.00 63.42 C ATOM 2176 ND1 HIS A 129 19.201 11.763 8.991 1.00 35.00 N ATOM 2177 CD2 HIS A 129 17.972 12.578 10.593 1.00 52.42 C ATOM 2178 CE1 HIS A 129 19.880 12.742 9.547 1.00 34.53 C ATOM 2179 NE2 HIS A 129 19.155 13.253 10.521 1.00 62.15 N ATOM 0 H HIS A 129 14.653 10.078 7.190 1.00 65.33 H new ATOM 0 HA HIS A 129 15.238 11.932 9.291 1.00 4.01 H new ATOM 0 HB2 HIS A 129 16.645 10.048 10.083 1.00 32.13 H new ATOM 0 HB3 HIS A 129 17.396 9.924 8.505 1.00 32.13 H new ATOM 0 HD2 HIS A 129 17.171 12.764 11.293 1.00 52.42 H new ATOM 0 HE1 HIS A 129 20.866 13.072 9.255 1.00 34.53 H new ATOM 0 HE2 HIS A 129 19.433 14.028 11.123 1.00 62.15 H new ATOM 2188 N HIS A 130 16.187 13.387 7.480 1.00 62.34 N ATOM 2189 CA HIS A 130 16.717 14.320 6.468 1.00 5.14 C ATOM 2190 C HIS A 130 15.785 14.380 5.235 1.00 63.45 C ATOM 2191 O HIS A 130 15.962 13.633 4.260 1.00 63.51 O ATOM 2192 CB HIS A 130 18.188 13.958 6.091 1.00 72.41 C ATOM 2193 CG HIS A 130 18.931 15.028 5.339 1.00 55.34 C ATOM 2194 ND1 HIS A 130 18.949 15.353 4.029 1.00 42.05 N flip ATOM 2195 CD2 HIS A 130 19.799 15.902 5.956 1.00 13.31 C flip ATOM 2196 CE1 HIS A 130 19.816 16.402 3.886 1.00 13.44 C flip ATOM 2197 NE2 HIS A 130 20.313 16.713 5.062 1.00 62.24 N flip ATOM 0 H HIS A 130 15.900 13.853 8.341 1.00 62.34 H new ATOM 0 HA HIS A 130 16.741 15.322 6.896 1.00 5.14 H new ATOM 0 HB2 HIS A 130 18.736 13.730 7.005 1.00 72.41 H new ATOM 0 HB3 HIS A 130 18.180 13.050 5.488 1.00 72.41 H new ATOM 0 HD2 HIS A 130 20.022 15.917 7.013 1.00 13.31 H new ATOM 0 HE1 HIS A 130 20.054 16.895 2.955 1.00 13.44 H new ATOM 0 HE2 HIS A 130 20.984 17.458 5.248 1.00 62.24 H new ATOM 2206 N HIS A 131 14.769 15.259 5.315 1.00 60.02 N ATOM 2207 CA HIS A 131 13.778 15.468 4.242 1.00 13.13 C ATOM 2208 C HIS A 131 14.355 16.438 3.196 1.00 11.44 C ATOM 2209 O HIS A 131 13.993 17.623 3.141 1.00 53.24 O ATOM 2210 CB HIS A 131 12.439 15.990 4.848 1.00 55.41 C ATOM 2211 CG HIS A 131 11.273 16.027 3.888 1.00 63.22 C ATOM 2212 ND1 HIS A 131 10.991 17.116 3.093 1.00 53.53 N ATOM 2213 CD2 HIS A 131 10.305 15.114 3.624 1.00 5.30 C ATOM 2214 CE1 HIS A 131 9.903 16.875 2.387 1.00 53.20 C ATOM 2215 NE2 HIS A 131 9.470 15.666 2.689 1.00 25.43 N ATOM 0 H HIS A 131 14.611 15.849 6.132 1.00 60.02 H new ATOM 0 HA HIS A 131 13.562 14.524 3.742 1.00 13.13 H new ATOM 0 HB2 HIS A 131 12.172 15.359 5.696 1.00 55.41 H new ATOM 0 HB3 HIS A 131 12.602 16.995 5.237 1.00 55.41 H new ATOM 0 HD2 HIS A 131 10.210 14.134 4.068 1.00 5.30 H new ATOM 0 HE1 HIS A 131 9.445 17.552 1.682 1.00 53.20 H new ATOM 0 HE2 HIS A 131 8.646 15.215 2.291 1.00 25.43 H new ATOM 2224 N HIS A 132 15.322 15.917 2.422 1.00 43.04 N ATOM 2225 CA HIS A 132 15.990 16.663 1.344 1.00 12.14 C ATOM 2226 C HIS A 132 15.012 16.872 0.186 1.00 53.50 C ATOM 2227 O HIS A 132 14.338 15.927 -0.235 1.00 43.45 O ATOM 2228 CB HIS A 132 17.247 15.890 0.863 1.00 24.12 C ATOM 2229 CG HIS A 132 18.026 16.531 -0.267 1.00 75.21 C ATOM 2230 ND1 HIS A 132 19.138 17.326 -0.069 1.00 22.44 N ATOM 2231 CD2 HIS A 132 17.858 16.469 -1.615 1.00 61.31 C ATOM 2232 CE1 HIS A 132 19.608 17.718 -1.237 1.00 32.11 C ATOM 2233 NE2 HIS A 132 18.849 17.213 -2.183 1.00 55.14 N ATOM 0 H HIS A 132 15.663 14.962 2.528 1.00 43.04 H new ATOM 0 HA HIS A 132 16.307 17.636 1.718 1.00 12.14 H new ATOM 0 HB2 HIS A 132 17.917 15.761 1.713 1.00 24.12 H new ATOM 0 HB3 HIS A 132 16.938 14.894 0.546 1.00 24.12 H new ATOM 0 HD2 HIS A 132 17.083 15.930 -2.139 1.00 61.31 H new ATOM 0 HE1 HIS A 132 20.472 18.348 -1.390 1.00 32.11 H new ATOM 0 HE2 HIS A 132 18.980 17.355 -3.184 1.00 55.14 H new ATOM 2242 N HIS A 133 14.966 18.117 -0.308 1.00 43.03 N ATOM 2243 CA HIS A 133 14.156 18.522 -1.471 1.00 62.40 C ATOM 2244 C HIS A 133 14.726 17.834 -2.727 1.00 34.34 C ATOM 2245 O HIS A 133 15.661 18.338 -3.357 1.00 23.40 O ATOM 2246 CB HIS A 133 14.147 20.080 -1.628 1.00 2.14 C ATOM 2247 CG HIS A 133 13.575 20.831 -0.447 1.00 50.43 C ATOM 2248 ND1 HIS A 133 12.914 22.032 -0.575 1.00 5.24 N ATOM 2249 CD2 HIS A 133 13.581 20.557 0.882 1.00 45.12 C ATOM 2250 CE1 HIS A 133 12.543 22.462 0.613 1.00 63.52 C ATOM 2251 NE2 HIS A 133 12.935 21.583 1.512 1.00 24.42 N ATOM 0 H HIS A 133 15.500 18.887 0.095 1.00 43.03 H new ATOM 0 HA HIS A 133 13.121 18.212 -1.328 1.00 62.40 H new ATOM 0 HB2 HIS A 133 15.169 20.420 -1.797 1.00 2.14 H new ATOM 0 HB3 HIS A 133 13.573 20.339 -2.518 1.00 2.14 H new ATOM 0 HD2 HIS A 133 14.016 19.689 1.354 1.00 45.12 H new ATOM 0 HE1 HIS A 133 12.009 23.379 0.815 1.00 63.52 H new ATOM 0 HE2 HIS A 133 12.781 21.656 2.518 1.00 24.42 H new ATOM 2260 N HIS A 134 14.199 16.630 -3.019 1.00 62.45 N ATOM 2261 CA HIS A 134 14.715 15.759 -4.082 1.00 22.42 C ATOM 2262 C HIS A 134 13.943 16.046 -5.394 1.00 10.23 C ATOM 2263 O HIS A 134 12.980 15.327 -5.729 1.00 53.54 O ATOM 2264 CB HIS A 134 14.618 14.269 -3.619 1.00 52.55 C ATOM 2265 CG HIS A 134 15.314 13.290 -4.533 1.00 11.32 C ATOM 2266 ND1 HIS A 134 16.666 13.028 -4.448 1.00 0.45 N ATOM 2267 CD2 HIS A 134 14.856 12.536 -5.561 1.00 2.40 C ATOM 2268 CE1 HIS A 134 17.007 12.166 -5.379 1.00 21.44 C ATOM 2269 NE2 HIS A 134 15.929 11.853 -6.064 1.00 21.51 N ATOM 2270 OXT HIS A 134 14.282 17.029 -6.065 1.00 38.25 O ATOM 0 H HIS A 134 13.401 16.236 -2.520 1.00 62.45 H new ATOM 0 HA HIS A 134 15.767 15.960 -4.282 1.00 22.42 H new ATOM 0 HB2 HIS A 134 15.045 14.182 -2.620 1.00 52.55 H new ATOM 0 HB3 HIS A 134 13.567 13.992 -3.542 1.00 52.55 H new ATOM 0 HD2 HIS A 134 13.837 12.484 -5.916 1.00 2.40 H new ATOM 0 HE1 HIS A 134 18.001 11.781 -5.552 1.00 21.44 H new ATOM 0 HE2 HIS A 134 15.898 11.202 -6.849 1.00 21.51 H new TER 2279 HIS A 134