USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HD1:sc= -0.119 K(o=1.8,f=-3.1!) USER MOD Set 1.2: A 48 THR OG1 : rot 104:sc= 1.26 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.639 K(o=1.8,f=-0.96!) USER MOD Single : A 11 SER OG : rot -173:sc= 1.52 USER MOD Single : A 15 ASN : amide:sc= 0.00368 K(o=0.0037,f=-2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 162:sc= 1.2 USER MOD Single : A 24 ASN : amide:sc= 0.45 K(o=0.45,f=-1.7) USER MOD Single : A 37 THR OG1 : rot 76:sc= 0.0646 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 0.202 (180deg=-1.57!) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0552) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -165:sc= -0.0585 (180deg=-0.486) USER MOD Single : A 72 LYS NZ :NH3+ 134:sc= 0.4 (180deg=-0.357!) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0.695 (180deg=0.439) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= 0.425 (180deg=-0.174) USER MOD Single : A 94 LYS NZ :NH3+ 136:sc= 1.69 (180deg=0.546) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.4) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.865 1.219 7.298 1.00 1.50 N ATOM 56 CA GLU A 5 8.964 0.620 8.273 1.00 1.73 C ATOM 57 C GLU A 5 7.513 0.715 7.776 1.00 1.31 C ATOM 58 O GLU A 5 6.842 1.739 7.922 1.00 1.45 O ATOM 59 CB GLU A 5 9.146 1.315 9.641 1.00 2.67 C ATOM 60 CG GLU A 5 9.236 2.858 9.597 1.00 3.32 C ATOM 61 CD GLU A 5 10.681 3.356 9.597 1.00 3.62 C ATOM 62 OE1 GLU A 5 11.355 3.257 8.542 1.00 3.71 O ATOM 63 OE2 GLU A 5 11.176 3.835 10.641 1.00 4.64 O ATOM 0 HA GLU A 5 9.202 -0.437 8.396 1.00 1.73 H new ATOM 0 HB2 GLU A 5 8.312 1.035 10.285 1.00 2.67 H new ATOM 0 HB3 GLU A 5 10.052 0.929 10.107 1.00 2.67 H new ATOM 0 HG2 GLU A 5 8.728 3.224 8.705 1.00 3.32 H new ATOM 0 HG3 GLU A 5 8.711 3.275 10.456 1.00 3.32 H new ATOM 70 N GLY A 6 7.044 -0.359 7.134 1.00 1.13 N ATOM 71 CA GLY A 6 5.663 -0.527 6.669 1.00 0.96 C ATOM 72 C GLY A 6 5.170 -1.939 6.935 1.00 0.83 C ATOM 73 O GLY A 6 5.970 -2.872 6.990 1.00 1.18 O ATOM 0 H GLY A 6 7.634 -1.162 6.916 1.00 1.13 H new ATOM 0 HA2 GLY A 6 5.015 0.190 7.174 1.00 0.96 H new ATOM 0 HA3 GLY A 6 5.606 -0.312 5.602 1.00 0.96 H new ATOM 77 N TRP A 7 3.857 -2.111 7.078 1.00 0.74 N ATOM 78 CA TRP A 7 3.229 -3.369 7.472 1.00 0.70 C ATOM 79 C TRP A 7 2.151 -3.793 6.469 1.00 0.64 C ATOM 80 O TRP A 7 1.314 -2.999 6.038 1.00 0.65 O ATOM 81 CB TRP A 7 2.690 -3.276 8.914 1.00 0.92 C ATOM 82 CG TRP A 7 1.926 -2.040 9.296 1.00 0.85 C ATOM 83 CD1 TRP A 7 0.589 -1.955 9.478 1.00 1.13 C ATOM 84 CD2 TRP A 7 2.453 -0.714 9.615 1.00 1.23 C ATOM 85 NE1 TRP A 7 0.246 -0.665 9.846 1.00 1.45 N ATOM 86 CE2 TRP A 7 1.362 0.146 9.935 1.00 1.54 C ATOM 87 CE3 TRP A 7 3.750 -0.155 9.680 1.00 1.75 C ATOM 88 CZ2 TRP A 7 1.550 1.496 10.273 1.00 2.14 C ATOM 89 CZ3 TRP A 7 3.948 1.199 10.002 1.00 2.38 C ATOM 90 CH2 TRP A 7 2.852 2.026 10.299 1.00 2.52 C ATOM 0 H TRP A 7 3.185 -1.361 6.919 1.00 0.74 H new ATOM 0 HA TRP A 7 3.986 -4.153 7.459 1.00 0.70 H new ATOM 0 HB2 TRP A 7 2.044 -4.136 9.086 1.00 0.92 H new ATOM 0 HB3 TRP A 7 3.536 -3.371 9.595 1.00 0.92 H new ATOM 0 HD1 TRP A 7 -0.107 -2.771 9.355 1.00 1.13 H new ATOM 0 HE1 TRP A 7 -0.708 -0.353 10.028 1.00 1.45 H new ATOM 0 HE3 TRP A 7 4.606 -0.781 9.478 1.00 1.75 H new ATOM 0 HZ2 TRP A 7 0.702 2.121 10.511 1.00 2.14 H new ATOM 0 HZ3 TRP A 7 4.948 1.606 10.021 1.00 2.38 H new ATOM 0 HH2 TRP A 7 3.009 3.065 10.546 1.00 2.52 H new ATOM 101 N VAL A 8 2.146 -5.070 6.093 1.00 1.05 N ATOM 102 CA VAL A 8 1.232 -5.656 5.093 1.00 1.53 C ATOM 103 C VAL A 8 -0.096 -6.032 5.780 1.00 1.91 C ATOM 104 O VAL A 8 -0.531 -7.183 5.781 1.00 3.20 O ATOM 105 CB VAL A 8 1.907 -6.829 4.333 1.00 1.82 C ATOM 106 CG1 VAL A 8 1.091 -7.314 3.119 1.00 2.50 C ATOM 107 CG2 VAL A 8 3.299 -6.419 3.826 1.00 1.74 C ATOM 0 H VAL A 8 2.795 -5.754 6.483 1.00 1.05 H new ATOM 0 HA VAL A 8 0.997 -4.922 4.322 1.00 1.53 H new ATOM 0 HB VAL A 8 1.975 -7.643 5.055 1.00 1.82 H new ATOM 0 HG11 VAL A 8 1.617 -8.135 2.631 1.00 2.50 H new ATOM 0 HG12 VAL A 8 0.112 -7.658 3.453 1.00 2.50 H new ATOM 0 HG13 VAL A 8 0.966 -6.493 2.413 1.00 2.50 H new ATOM 0 HG21 VAL A 8 3.754 -7.256 3.296 1.00 1.74 H new ATOM 0 HG22 VAL A 8 3.204 -5.570 3.149 1.00 1.74 H new ATOM 0 HG23 VAL A 8 3.927 -6.140 4.672 1.00 1.74 H new ATOM 117 N ARG A 9 -0.715 -5.019 6.405 1.00 1.51 N ATOM 118 CA ARG A 9 -1.893 -5.080 7.282 1.00 1.57 C ATOM 119 C ARG A 9 -1.968 -6.392 8.084 1.00 1.59 C ATOM 120 O ARG A 9 -1.092 -6.655 8.896 1.00 2.57 O ATOM 121 CB ARG A 9 -3.148 -4.677 6.477 1.00 1.88 C ATOM 122 CG ARG A 9 -4.222 -3.960 7.303 1.00 1.74 C ATOM 123 CD ARG A 9 -5.232 -4.830 8.070 1.00 2.32 C ATOM 124 NE ARG A 9 -6.171 -3.962 8.806 1.00 2.59 N ATOM 125 CZ ARG A 9 -5.842 -3.206 9.847 1.00 3.27 C ATOM 126 NH1 ARG A 9 -4.705 -3.357 10.480 1.00 4.48 N ATOM 127 NH2 ARG A 9 -6.612 -2.239 10.283 1.00 3.83 N ATOM 0 H ARG A 9 -0.378 -4.062 6.302 1.00 1.51 H new ATOM 0 HA ARG A 9 -1.813 -4.344 8.082 1.00 1.57 H new ATOM 0 HB2 ARG A 9 -2.845 -4.029 5.655 1.00 1.88 H new ATOM 0 HB3 ARG A 9 -3.584 -5.572 6.034 1.00 1.88 H new ATOM 0 HG2 ARG A 9 -3.717 -3.317 8.024 1.00 1.74 H new ATOM 0 HG3 ARG A 9 -4.782 -3.308 6.632 1.00 1.74 H new ATOM 0 HD2 ARG A 9 -5.778 -5.469 7.376 1.00 2.32 H new ATOM 0 HD3 ARG A 9 -4.708 -5.488 8.764 1.00 2.32 H new ATOM 0 HE ARG A 9 -7.142 -3.941 8.493 1.00 2.59 H new ATOM 0 HH11 ARG A 9 -4.043 -4.071 10.176 1.00 4.48 H new ATOM 0 HH12 ARG A 9 -4.482 -2.760 11.276 1.00 4.48 H new ATOM 0 HH21 ARG A 9 -7.499 -2.045 9.819 1.00 3.83 H new ATOM 0 HH22 ARG A 9 -6.324 -1.680 11.086 1.00 3.83 H new ATOM 141 N PHE A 10 -3.001 -7.209 7.861 1.00 1.20 N ATOM 142 CA PHE A 10 -3.368 -8.432 8.581 1.00 1.10 C ATOM 143 C PHE A 10 -4.748 -8.886 8.081 1.00 0.93 C ATOM 144 O PHE A 10 -5.656 -8.062 7.980 1.00 1.01 O ATOM 145 CB PHE A 10 -3.363 -8.198 10.105 1.00 1.38 C ATOM 146 CG PHE A 10 -4.181 -9.210 10.883 1.00 1.40 C ATOM 147 CD1 PHE A 10 -3.757 -10.550 10.946 1.00 1.94 C ATOM 148 CD2 PHE A 10 -5.398 -8.831 11.479 1.00 2.25 C ATOM 149 CE1 PHE A 10 -4.549 -11.507 11.601 1.00 1.89 C ATOM 150 CE2 PHE A 10 -6.185 -9.788 12.140 1.00 2.55 C ATOM 151 CZ PHE A 10 -5.761 -11.127 12.201 1.00 1.80 C ATOM 0 H PHE A 10 -3.659 -7.015 7.106 1.00 1.20 H new ATOM 0 HA PHE A 10 -2.636 -9.216 8.386 1.00 1.10 H new ATOM 0 HB2 PHE A 10 -2.334 -8.224 10.464 1.00 1.38 H new ATOM 0 HB3 PHE A 10 -3.747 -7.199 10.311 1.00 1.38 H new ATOM 0 HD1 PHE A 10 -2.822 -10.843 10.491 1.00 1.94 H new ATOM 0 HD2 PHE A 10 -5.727 -7.804 11.428 1.00 2.25 H new ATOM 0 HE1 PHE A 10 -4.226 -12.537 11.644 1.00 1.89 H new ATOM 0 HE2 PHE A 10 -7.116 -9.495 12.602 1.00 2.55 H new ATOM 0 HZ PHE A 10 -6.367 -11.863 12.709 1.00 1.80 H new ATOM 161 N SER A 11 -4.908 -10.180 7.790 1.00 0.85 N ATOM 162 CA SER A 11 -6.160 -10.828 7.370 1.00 0.84 C ATOM 163 C SER A 11 -5.950 -12.342 7.167 1.00 0.86 C ATOM 164 O SER A 11 -4.893 -12.733 6.655 1.00 0.98 O ATOM 165 CB SER A 11 -6.686 -10.244 6.052 1.00 0.99 C ATOM 166 OG SER A 11 -7.945 -10.802 5.732 1.00 1.97 O ATOM 0 H SER A 11 -4.131 -10.839 7.843 1.00 0.85 H new ATOM 0 HA SER A 11 -6.885 -10.647 8.163 1.00 0.84 H new ATOM 0 HB2 SER A 11 -6.772 -9.161 6.136 1.00 0.99 H new ATOM 0 HB3 SER A 11 -5.977 -10.446 5.249 1.00 0.99 H new ATOM 0 HG SER A 11 -8.216 -10.507 4.838 1.00 1.97 H new ATOM 172 N PRO A 12 -6.940 -13.200 7.487 1.00 0.95 N ATOM 173 CA PRO A 12 -6.959 -14.591 7.034 1.00 1.02 C ATOM 174 C PRO A 12 -7.284 -14.718 5.538 1.00 0.89 C ATOM 175 O PRO A 12 -6.937 -15.711 4.903 1.00 0.97 O ATOM 176 CB PRO A 12 -8.057 -15.247 7.872 1.00 1.23 C ATOM 177 CG PRO A 12 -9.055 -14.118 8.115 1.00 1.24 C ATOM 178 CD PRO A 12 -8.147 -12.899 8.254 1.00 1.13 C ATOM 0 HA PRO A 12 -5.982 -15.059 7.158 1.00 1.02 H new ATOM 0 HB2 PRO A 12 -8.518 -16.082 7.344 1.00 1.23 H new ATOM 0 HB3 PRO A 12 -7.663 -15.641 8.809 1.00 1.23 H new ATOM 0 HG2 PRO A 12 -9.755 -14.010 7.287 1.00 1.24 H new ATOM 0 HG3 PRO A 12 -9.648 -14.287 9.014 1.00 1.24 H new ATOM 0 HD2 PRO A 12 -8.637 -12.003 7.873 1.00 1.13 H new ATOM 0 HD3 PRO A 12 -7.906 -12.710 9.300 1.00 1.13 H new ATOM 186 N GLY A 13 -7.967 -13.715 4.983 1.00 0.84 N ATOM 187 CA GLY A 13 -8.472 -13.684 3.611 1.00 0.85 C ATOM 188 C GLY A 13 -10.004 -13.579 3.548 1.00 0.78 C ATOM 189 O GLY A 13 -10.651 -13.398 4.579 1.00 0.84 O ATOM 0 H GLY A 13 -8.193 -12.866 5.501 1.00 0.84 H new ATOM 0 HA2 GLY A 13 -8.031 -12.837 3.085 1.00 0.85 H new ATOM 0 HA3 GLY A 13 -8.151 -14.586 3.089 1.00 0.85 H new ATOM 193 N PRO A 14 -10.608 -13.666 2.343 1.00 0.82 N ATOM 194 CA PRO A 14 -9.957 -13.883 1.048 1.00 0.83 C ATOM 195 C PRO A 14 -9.198 -12.649 0.529 1.00 0.70 C ATOM 196 O PRO A 14 -8.413 -12.772 -0.407 1.00 0.79 O ATOM 197 CB PRO A 14 -11.099 -14.260 0.097 1.00 1.01 C ATOM 198 CG PRO A 14 -12.292 -13.491 0.663 1.00 1.07 C ATOM 199 CD PRO A 14 -12.051 -13.563 2.169 1.00 0.98 C ATOM 0 HA PRO A 14 -9.193 -14.656 1.129 1.00 0.83 H new ATOM 0 HB2 PRO A 14 -10.881 -13.967 -0.930 1.00 1.01 H new ATOM 0 HB3 PRO A 14 -11.279 -15.335 0.090 1.00 1.01 H new ATOM 0 HG2 PRO A 14 -12.317 -12.462 0.305 1.00 1.07 H new ATOM 0 HG3 PRO A 14 -13.240 -13.950 0.382 1.00 1.07 H new ATOM 0 HD2 PRO A 14 -12.441 -12.677 2.669 1.00 0.98 H new ATOM 0 HD3 PRO A 14 -12.558 -14.424 2.604 1.00 0.98 H new ATOM 207 N ASN A 15 -9.408 -11.474 1.132 1.00 0.65 N ATOM 208 CA ASN A 15 -8.739 -10.219 0.811 1.00 0.63 C ATOM 209 C ASN A 15 -8.066 -9.595 2.055 1.00 0.54 C ATOM 210 O ASN A 15 -8.231 -10.037 3.195 1.00 0.68 O ATOM 211 CB ASN A 15 -9.754 -9.275 0.130 1.00 0.84 C ATOM 212 CG ASN A 15 -10.943 -8.869 0.993 1.00 1.20 C ATOM 213 OD1 ASN A 15 -11.112 -9.287 2.128 1.00 1.85 O ATOM 214 ND2 ASN A 15 -11.805 -8.016 0.474 1.00 1.64 N ATOM 0 H ASN A 15 -10.081 -11.373 1.892 1.00 0.65 H new ATOM 0 HA ASN A 15 -7.924 -10.404 0.112 1.00 0.63 H new ATOM 0 HB2 ASN A 15 -9.231 -8.373 -0.187 1.00 0.84 H new ATOM 0 HB3 ASN A 15 -10.129 -9.760 -0.772 1.00 0.84 H new ATOM 0 HD21 ASN A 15 -12.609 -7.708 1.020 1.00 1.64 H new ATOM 0 HD22 ASN A 15 -11.667 -7.665 -0.474 1.00 1.64 H new ATOM 221 N ALA A 16 -7.264 -8.568 1.798 1.00 0.62 N ATOM 222 CA ALA A 16 -6.387 -7.854 2.728 1.00 0.53 C ATOM 223 C ALA A 16 -6.086 -6.429 2.219 1.00 0.49 C ATOM 224 O ALA A 16 -6.619 -5.991 1.202 1.00 0.56 O ATOM 225 CB ALA A 16 -5.114 -8.691 2.956 1.00 0.58 C ATOM 0 H ALA A 16 -7.203 -8.179 0.857 1.00 0.62 H new ATOM 0 HA ALA A 16 -6.884 -7.728 3.690 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -4.454 -8.168 3.648 1.00 0.58 H new ATOM 0 HB2 ALA A 16 -5.386 -9.659 3.376 1.00 0.58 H new ATOM 0 HB3 ALA A 16 -4.601 -8.839 2.006 1.00 0.58 H new ATOM 231 N ALA A 17 -5.225 -5.709 2.934 1.00 0.46 N ATOM 232 CA ALA A 17 -4.642 -4.422 2.547 1.00 0.42 C ATOM 233 C ALA A 17 -3.128 -4.462 2.836 1.00 0.62 C ATOM 234 O ALA A 17 -2.666 -5.374 3.525 1.00 1.10 O ATOM 235 CB ALA A 17 -5.351 -3.304 3.331 1.00 0.45 C ATOM 0 H ALA A 17 -4.896 -6.022 3.847 1.00 0.46 H new ATOM 0 HA ALA A 17 -4.778 -4.225 1.484 1.00 0.42 H new ATOM 0 HB1 ALA A 17 -4.927 -2.339 3.053 1.00 0.45 H new ATOM 0 HB2 ALA A 17 -6.415 -3.314 3.096 1.00 0.45 H new ATOM 0 HB3 ALA A 17 -5.214 -3.466 4.400 1.00 0.45 H new ATOM 241 N ALA A 18 -2.370 -3.471 2.369 1.00 0.46 N ATOM 242 CA ALA A 18 -0.942 -3.318 2.638 1.00 0.55 C ATOM 243 C ALA A 18 -0.561 -1.838 2.756 1.00 0.45 C ATOM 244 O ALA A 18 -0.850 -1.029 1.870 1.00 0.48 O ATOM 245 CB ALA A 18 -0.137 -4.019 1.536 1.00 0.75 C ATOM 0 H ALA A 18 -2.744 -2.731 1.775 1.00 0.46 H new ATOM 0 HA ALA A 18 -0.706 -3.786 3.594 1.00 0.55 H new ATOM 0 HB1 ALA A 18 0.929 -3.905 1.736 1.00 0.75 H new ATOM 0 HB2 ALA A 18 -0.392 -5.079 1.517 1.00 0.75 H new ATOM 0 HB3 ALA A 18 -0.375 -3.572 0.571 1.00 0.75 H new ATOM 251 N TYR A 19 0.104 -1.508 3.863 1.00 0.53 N ATOM 252 CA TYR A 19 0.603 -0.175 4.227 1.00 0.56 C ATOM 253 C TYR A 19 2.136 -0.127 4.088 1.00 0.68 C ATOM 254 O TYR A 19 2.876 -0.081 5.072 1.00 1.00 O ATOM 255 CB TYR A 19 0.128 0.164 5.655 1.00 0.65 C ATOM 256 CG TYR A 19 -1.369 0.054 5.877 1.00 0.73 C ATOM 257 CD1 TYR A 19 -2.261 0.676 4.986 1.00 1.89 C ATOM 258 CD2 TYR A 19 -1.878 -0.637 6.993 1.00 2.05 C ATOM 259 CE1 TYR A 19 -3.653 0.593 5.192 1.00 2.02 C ATOM 260 CE2 TYR A 19 -3.264 -0.662 7.249 1.00 2.13 C ATOM 261 CZ TYR A 19 -4.156 -0.060 6.334 1.00 1.14 C ATOM 262 OH TYR A 19 -5.496 -0.094 6.560 1.00 1.41 O ATOM 0 H TYR A 19 0.324 -2.204 4.575 1.00 0.53 H new ATOM 0 HA TYR A 19 0.203 0.580 3.551 1.00 0.56 H new ATOM 0 HB2 TYR A 19 0.634 -0.499 6.357 1.00 0.65 H new ATOM 0 HB3 TYR A 19 0.442 1.180 5.894 1.00 0.65 H new ATOM 0 HD1 TYR A 19 -1.877 1.222 4.137 1.00 1.89 H new ATOM 0 HD2 TYR A 19 -1.201 -1.152 7.658 1.00 2.05 H new ATOM 0 HE1 TYR A 19 -4.333 1.029 4.475 1.00 2.02 H new ATOM 0 HE2 TYR A 19 -3.642 -1.139 8.141 1.00 2.13 H new ATOM 0 HH TYR A 19 -5.676 -0.584 7.390 1.00 1.41 H new ATOM 272 N LEU A 20 2.635 -0.238 2.849 1.00 1.16 N ATOM 273 CA LEU A 20 4.080 -0.261 2.588 1.00 1.29 C ATOM 274 C LEU A 20 4.724 1.110 2.813 1.00 1.14 C ATOM 275 O LEU A 20 4.081 2.142 2.611 1.00 0.98 O ATOM 276 CB LEU A 20 4.375 -0.873 1.204 1.00 1.37 C ATOM 277 CG LEU A 20 4.109 0.008 -0.036 1.00 1.14 C ATOM 278 CD1 LEU A 20 5.257 0.990 -0.336 1.00 1.74 C ATOM 279 CD2 LEU A 20 3.947 -0.907 -1.255 1.00 1.65 C ATOM 0 H LEU A 20 2.058 -0.313 2.011 1.00 1.16 H new ATOM 0 HA LEU A 20 4.554 -0.916 3.319 1.00 1.29 H new ATOM 0 HB2 LEU A 20 5.423 -1.173 1.185 1.00 1.37 H new ATOM 0 HB3 LEU A 20 3.782 -1.782 1.105 1.00 1.37 H new ATOM 0 HG LEU A 20 3.213 0.593 0.170 1.00 1.14 H new ATOM 0 HD11 LEU A 20 5.010 1.580 -1.218 1.00 1.74 H new ATOM 0 HD12 LEU A 20 5.400 1.654 0.516 1.00 1.74 H new ATOM 0 HD13 LEU A 20 6.175 0.432 -0.519 1.00 1.74 H new ATOM 0 HD21 LEU A 20 3.758 -0.302 -2.142 1.00 1.65 H new ATOM 0 HD22 LEU A 20 4.859 -1.487 -1.399 1.00 1.65 H new ATOM 0 HD23 LEU A 20 3.109 -1.584 -1.093 1.00 1.65 H new ATOM 291 N THR A 21 6.019 1.105 3.152 1.00 1.37 N ATOM 292 CA THR A 21 6.821 2.305 3.402 1.00 1.43 C ATOM 293 C THR A 21 8.119 2.202 2.609 1.00 1.79 C ATOM 294 O THR A 21 8.769 1.162 2.641 1.00 2.14 O ATOM 295 CB THR A 21 7.068 2.463 4.908 1.00 1.80 C ATOM 296 OG1 THR A 21 5.814 2.517 5.547 1.00 2.22 O ATOM 297 CG2 THR A 21 7.807 3.740 5.308 1.00 2.10 C ATOM 0 H THR A 21 6.551 0.242 3.263 1.00 1.37 H new ATOM 0 HA THR A 21 6.291 3.198 3.071 1.00 1.43 H new ATOM 0 HB THR A 21 7.691 1.618 5.200 1.00 1.80 H new ATOM 0 HG1 THR A 21 5.924 2.322 6.501 1.00 2.22 H new ATOM 0 HG21 THR A 21 7.935 3.763 6.390 1.00 2.10 H new ATOM 0 HG22 THR A 21 8.785 3.761 4.827 1.00 2.10 H new ATOM 0 HG23 THR A 21 7.229 4.609 4.993 1.00 2.10 H new ATOM 305 N LEU A 22 8.477 3.273 1.900 1.00 1.94 N ATOM 306 CA LEU A 22 9.661 3.409 1.040 1.00 2.47 C ATOM 307 C LEU A 22 10.052 4.900 0.938 1.00 1.85 C ATOM 308 O LEU A 22 9.333 5.780 1.425 1.00 1.81 O ATOM 309 CB LEU A 22 9.356 2.803 -0.359 1.00 3.33 C ATOM 310 CG LEU A 22 10.257 1.656 -0.862 1.00 4.55 C ATOM 311 CD1 LEU A 22 11.752 2.011 -0.867 1.00 4.92 C ATOM 312 CD2 LEU A 22 10.014 0.349 -0.103 1.00 5.55 C ATOM 0 H LEU A 22 7.915 4.124 1.909 1.00 1.94 H new ATOM 0 HA LEU A 22 10.503 2.866 1.468 1.00 2.47 H new ATOM 0 HB2 LEU A 22 8.328 2.441 -0.349 1.00 3.33 H new ATOM 0 HB3 LEU A 22 9.403 3.610 -1.090 1.00 3.33 H new ATOM 0 HG LEU A 22 9.965 1.503 -1.901 1.00 4.55 H new ATOM 0 HD11 LEU A 22 12.327 1.160 -1.232 1.00 4.92 H new ATOM 0 HD12 LEU A 22 11.920 2.868 -1.519 1.00 4.92 H new ATOM 0 HD13 LEU A 22 12.071 2.257 0.146 1.00 4.92 H new ATOM 0 HD21 LEU A 22 10.672 -0.427 -0.494 1.00 5.55 H new ATOM 0 HD22 LEU A 22 10.221 0.500 0.957 1.00 5.55 H new ATOM 0 HD23 LEU A 22 8.976 0.042 -0.230 1.00 5.55 H new ATOM 324 N GLU A 23 11.138 5.213 0.224 1.00 1.48 N ATOM 325 CA GLU A 23 11.558 6.576 -0.134 1.00 1.03 C ATOM 326 C GLU A 23 12.083 6.623 -1.577 1.00 1.01 C ATOM 327 O GLU A 23 12.449 5.591 -2.136 1.00 1.36 O ATOM 328 CB GLU A 23 12.618 7.124 0.846 1.00 1.49 C ATOM 329 CG GLU A 23 12.134 7.082 2.298 1.00 2.75 C ATOM 330 CD GLU A 23 12.981 7.919 3.247 1.00 3.60 C ATOM 331 OE1 GLU A 23 13.980 7.374 3.764 1.00 3.85 O ATOM 332 OE2 GLU A 23 12.569 9.061 3.535 1.00 4.80 O ATOM 0 H GLU A 23 11.773 4.500 -0.135 1.00 1.48 H new ATOM 0 HA GLU A 23 10.679 7.217 -0.062 1.00 1.03 H new ATOM 0 HB2 GLU A 23 13.534 6.541 0.752 1.00 1.49 H new ATOM 0 HB3 GLU A 23 12.865 8.151 0.576 1.00 1.49 H new ATOM 0 HG2 GLU A 23 11.103 7.433 2.339 1.00 2.75 H new ATOM 0 HG3 GLU A 23 12.132 6.048 2.642 1.00 2.75 H new ATOM 339 N ASN A 24 12.116 7.820 -2.173 1.00 0.81 N ATOM 340 CA ASN A 24 12.735 8.131 -3.465 1.00 0.75 C ATOM 341 C ASN A 24 14.072 8.859 -3.228 1.00 0.76 C ATOM 342 O ASN A 24 14.068 10.075 -3.022 1.00 0.88 O ATOM 343 CB ASN A 24 11.798 9.042 -4.276 1.00 0.80 C ATOM 344 CG ASN A 24 12.380 9.345 -5.653 1.00 0.77 C ATOM 345 OD1 ASN A 24 13.328 8.717 -6.111 1.00 1.44 O ATOM 346 ND2 ASN A 24 11.829 10.309 -6.354 1.00 0.76 N ATOM 0 H ASN A 24 11.689 8.641 -1.744 1.00 0.81 H new ATOM 0 HA ASN A 24 12.912 7.207 -4.015 1.00 0.75 H new ATOM 0 HB2 ASN A 24 10.826 8.562 -4.387 1.00 0.80 H new ATOM 0 HB3 ASN A 24 11.634 9.974 -3.735 1.00 0.80 H new ATOM 0 HD21 ASN A 24 12.190 10.536 -7.281 1.00 0.76 H new ATOM 0 HD22 ASN A 24 11.040 10.831 -5.972 1.00 0.76 H new ATOM 353 N PRO A 25 15.217 8.157 -3.244 1.00 0.89 N ATOM 354 CA PRO A 25 16.528 8.761 -3.005 1.00 1.07 C ATOM 355 C PRO A 25 17.150 9.452 -4.231 1.00 1.05 C ATOM 356 O PRO A 25 18.247 9.995 -4.112 1.00 1.14 O ATOM 357 CB PRO A 25 17.400 7.588 -2.536 1.00 1.37 C ATOM 358 CG PRO A 25 16.806 6.409 -3.308 1.00 1.35 C ATOM 359 CD PRO A 25 15.318 6.705 -3.259 1.00 1.08 C ATOM 0 HA PRO A 25 16.443 9.569 -2.278 1.00 1.07 H new ATOM 0 HB2 PRO A 25 18.452 7.742 -2.776 1.00 1.37 H new ATOM 0 HB3 PRO A 25 17.337 7.441 -1.458 1.00 1.37 H new ATOM 0 HG2 PRO A 25 17.178 6.365 -4.332 1.00 1.35 H new ATOM 0 HG3 PRO A 25 17.046 5.454 -2.840 1.00 1.35 H new ATOM 0 HD2 PRO A 25 14.804 6.284 -4.123 1.00 1.08 H new ATOM 0 HD3 PRO A 25 14.859 6.269 -2.372 1.00 1.08 H new ATOM 367 N GLY A 26 16.495 9.434 -5.399 1.00 0.97 N ATOM 368 CA GLY A 26 17.000 10.046 -6.615 1.00 0.99 C ATOM 369 C GLY A 26 16.546 11.494 -6.736 1.00 0.95 C ATOM 370 O GLY A 26 15.498 11.889 -6.241 1.00 1.31 O ATOM 0 H GLY A 26 15.587 8.985 -5.518 1.00 0.97 H new ATOM 0 HA2 GLY A 26 18.089 10.003 -6.621 1.00 0.99 H new ATOM 0 HA3 GLY A 26 16.654 9.481 -7.480 1.00 0.99 H new ATOM 374 N ASP A 27 17.327 12.246 -7.503 1.00 1.22 N ATOM 375 CA ASP A 27 17.126 13.641 -7.906 1.00 1.54 C ATOM 376 C ASP A 27 16.091 13.780 -9.041 1.00 1.36 C ATOM 377 O ASP A 27 15.844 14.858 -9.578 1.00 1.54 O ATOM 378 CB ASP A 27 18.505 14.164 -8.330 1.00 2.07 C ATOM 379 CG ASP A 27 19.351 14.555 -7.116 1.00 2.79 C ATOM 380 OD1 ASP A 27 19.981 13.661 -6.505 1.00 2.96 O ATOM 381 OD2 ASP A 27 19.326 15.736 -6.710 1.00 4.01 O ATOM 0 H ASP A 27 18.190 11.868 -7.894 1.00 1.22 H new ATOM 0 HA ASP A 27 16.718 14.224 -7.080 1.00 1.54 H new ATOM 0 HB2 ASP A 27 19.025 13.399 -8.906 1.00 2.07 H new ATOM 0 HB3 ASP A 27 18.383 15.028 -8.984 1.00 2.07 H new ATOM 386 N LEU A 28 15.470 12.655 -9.387 1.00 1.11 N ATOM 387 CA LEU A 28 14.428 12.481 -10.383 1.00 1.00 C ATOM 388 C LEU A 28 13.132 11.962 -9.728 1.00 0.85 C ATOM 389 O LEU A 28 13.200 11.287 -8.698 1.00 0.85 O ATOM 390 CB LEU A 28 15.006 11.586 -11.490 1.00 1.31 C ATOM 391 CG LEU A 28 15.407 10.148 -11.087 1.00 2.38 C ATOM 392 CD1 LEU A 28 14.232 9.158 -11.122 1.00 3.09 C ATOM 393 CD2 LEU A 28 16.487 9.632 -12.050 1.00 3.26 C ATOM 0 H LEU A 28 15.706 11.771 -8.937 1.00 1.11 H new ATOM 0 HA LEU A 28 14.129 13.423 -10.843 1.00 1.00 H new ATOM 0 HB2 LEU A 28 14.271 11.521 -12.293 1.00 1.31 H new ATOM 0 HB3 LEU A 28 15.885 12.081 -11.902 1.00 1.31 H new ATOM 0 HG LEU A 28 15.769 10.204 -10.060 1.00 2.38 H new ATOM 0 HD11 LEU A 28 14.581 8.168 -10.829 1.00 3.09 H new ATOM 0 HD12 LEU A 28 13.457 9.489 -10.431 1.00 3.09 H new ATOM 0 HD13 LEU A 28 13.823 9.114 -12.131 1.00 3.09 H new ATOM 0 HD21 LEU A 28 16.772 8.618 -11.768 1.00 3.26 H new ATOM 0 HD22 LEU A 28 16.096 9.629 -13.067 1.00 3.26 H new ATOM 0 HD23 LEU A 28 17.361 10.282 -11.999 1.00 3.26 H new ATOM 405 N PRO A 29 11.950 12.269 -10.291 1.00 0.82 N ATOM 406 CA PRO A 29 10.675 11.950 -9.668 1.00 0.73 C ATOM 407 C PRO A 29 10.304 10.473 -9.865 1.00 0.70 C ATOM 408 O PRO A 29 10.810 9.803 -10.772 1.00 1.00 O ATOM 409 CB PRO A 29 9.665 12.891 -10.331 1.00 0.86 C ATOM 410 CG PRO A 29 10.235 13.081 -11.735 1.00 1.02 C ATOM 411 CD PRO A 29 11.750 12.986 -11.541 1.00 0.97 C ATOM 0 HA PRO A 29 10.702 12.090 -8.587 1.00 0.73 H new ATOM 0 HB2 PRO A 29 8.666 12.456 -10.357 1.00 0.86 H new ATOM 0 HB3 PRO A 29 9.586 13.838 -9.797 1.00 0.86 H new ATOM 0 HG2 PRO A 29 9.872 12.314 -12.419 1.00 1.02 H new ATOM 0 HG3 PRO A 29 9.947 14.045 -12.155 1.00 1.02 H new ATOM 0 HD2 PRO A 29 12.218 12.459 -12.372 1.00 0.97 H new ATOM 0 HD3 PRO A 29 12.201 13.977 -11.499 1.00 0.97 H new ATOM 419 N LEU A 30 9.379 9.986 -9.033 1.00 0.64 N ATOM 420 CA LEU A 30 8.728 8.687 -9.188 1.00 0.64 C ATOM 421 C LEU A 30 7.221 8.845 -9.317 1.00 0.69 C ATOM 422 O LEU A 30 6.596 9.719 -8.724 1.00 0.79 O ATOM 423 CB LEU A 30 9.015 7.753 -7.998 1.00 0.74 C ATOM 424 CG LEU A 30 10.450 7.220 -7.973 1.00 0.78 C ATOM 425 CD1 LEU A 30 10.723 6.492 -6.650 1.00 1.96 C ATOM 426 CD2 LEU A 30 10.827 6.265 -9.109 1.00 1.67 C ATOM 0 H LEU A 30 9.056 10.499 -8.213 1.00 0.64 H new ATOM 0 HA LEU A 30 9.139 8.245 -10.096 1.00 0.64 H new ATOM 0 HB2 LEU A 30 8.819 8.289 -7.070 1.00 0.74 H new ATOM 0 HB3 LEU A 30 8.324 6.911 -8.032 1.00 0.74 H new ATOM 0 HG LEU A 30 11.062 8.114 -8.097 1.00 0.78 H new ATOM 0 HD11 LEU A 30 11.747 6.118 -6.645 1.00 1.96 H new ATOM 0 HD12 LEU A 30 10.585 7.184 -5.819 1.00 1.96 H new ATOM 0 HD13 LEU A 30 10.031 5.657 -6.545 1.00 1.96 H new ATOM 0 HD21 LEU A 30 11.864 5.951 -8.991 1.00 1.67 H new ATOM 0 HD22 LEU A 30 10.177 5.390 -9.080 1.00 1.67 H new ATOM 0 HD23 LEU A 30 10.708 6.773 -10.066 1.00 1.67 H new ATOM 438 N ARG A 31 6.664 7.861 -10.008 1.00 0.65 N ATOM 439 CA ARG A 31 5.218 7.619 -10.105 1.00 0.54 C ATOM 440 C ARG A 31 4.942 6.150 -9.861 1.00 0.47 C ATOM 441 O ARG A 31 5.454 5.324 -10.616 1.00 0.49 O ATOM 442 CB ARG A 31 4.687 8.014 -11.488 1.00 0.57 C ATOM 443 CG ARG A 31 3.150 8.111 -11.478 1.00 0.58 C ATOM 444 CD ARG A 31 2.588 8.745 -12.752 1.00 0.76 C ATOM 445 NE ARG A 31 2.954 10.168 -12.833 1.00 1.03 N ATOM 446 CZ ARG A 31 2.800 10.993 -13.854 1.00 1.32 C ATOM 447 NH1 ARG A 31 2.238 10.604 -14.983 1.00 2.12 N ATOM 448 NH2 ARG A 31 3.220 12.230 -13.747 1.00 1.79 N ATOM 0 H ARG A 31 7.216 7.184 -10.535 1.00 0.65 H new ATOM 0 HA ARG A 31 4.712 8.227 -9.355 1.00 0.54 H new ATOM 0 HB2 ARG A 31 5.114 8.971 -11.786 1.00 0.57 H new ATOM 0 HB3 ARG A 31 5.004 7.279 -12.228 1.00 0.57 H new ATOM 0 HG2 ARG A 31 2.728 7.113 -11.358 1.00 0.58 H new ATOM 0 HG3 ARG A 31 2.833 8.697 -10.615 1.00 0.58 H new ATOM 0 HD2 ARG A 31 2.970 8.216 -13.626 1.00 0.76 H new ATOM 0 HD3 ARG A 31 1.503 8.643 -12.766 1.00 0.76 H new ATOM 0 HE ARG A 31 3.380 10.568 -11.997 1.00 1.03 H new ATOM 0 HH11 ARG A 31 1.909 9.644 -15.085 1.00 2.12 H new ATOM 0 HH12 ARG A 31 2.133 11.263 -15.754 1.00 2.12 H new ATOM 0 HH21 ARG A 31 3.660 12.546 -12.883 1.00 1.79 H new ATOM 0 HH22 ARG A 31 3.107 12.876 -14.528 1.00 1.79 H new ATOM 462 N LEU A 32 4.188 5.810 -8.822 1.00 0.53 N ATOM 463 CA LEU A 32 3.936 4.451 -8.342 1.00 0.46 C ATOM 464 C LEU A 32 2.541 4.036 -8.826 1.00 0.40 C ATOM 465 O LEU A 32 1.559 4.630 -8.405 1.00 0.46 O ATOM 466 CB LEU A 32 4.060 4.496 -6.802 1.00 0.49 C ATOM 467 CG LEU A 32 4.351 3.161 -6.087 1.00 0.72 C ATOM 468 CD1 LEU A 32 4.149 3.338 -4.576 1.00 1.77 C ATOM 469 CD2 LEU A 32 3.488 2.006 -6.585 1.00 1.68 C ATOM 0 H LEU A 32 3.708 6.512 -8.259 1.00 0.53 H new ATOM 0 HA LEU A 32 4.642 3.712 -8.721 1.00 0.46 H new ATOM 0 HB2 LEU A 32 4.853 5.198 -6.546 1.00 0.49 H new ATOM 0 HB3 LEU A 32 3.132 4.902 -6.399 1.00 0.49 H new ATOM 0 HG LEU A 32 5.385 2.900 -6.314 1.00 0.72 H new ATOM 0 HD11 LEU A 32 4.354 2.395 -4.069 1.00 1.77 H new ATOM 0 HD12 LEU A 32 4.829 4.105 -4.205 1.00 1.77 H new ATOM 0 HD13 LEU A 32 3.120 3.639 -4.379 1.00 1.77 H new ATOM 0 HD21 LEU A 32 3.745 1.098 -6.039 1.00 1.68 H new ATOM 0 HD22 LEU A 32 2.436 2.241 -6.423 1.00 1.68 H new ATOM 0 HD23 LEU A 32 3.665 1.852 -7.649 1.00 1.68 H new ATOM 481 N VAL A 33 2.442 3.050 -9.717 1.00 0.35 N ATOM 482 CA VAL A 33 1.201 2.741 -10.459 1.00 0.34 C ATOM 483 C VAL A 33 0.563 1.404 -10.028 1.00 0.34 C ATOM 484 O VAL A 33 -0.639 1.204 -10.193 1.00 0.39 O ATOM 485 CB VAL A 33 1.447 2.761 -11.992 1.00 0.38 C ATOM 486 CG1 VAL A 33 1.989 4.124 -12.473 1.00 0.45 C ATOM 487 CG2 VAL A 33 2.429 1.682 -12.489 1.00 0.39 C ATOM 0 H VAL A 33 3.220 2.434 -9.952 1.00 0.35 H new ATOM 0 HA VAL A 33 0.489 3.527 -10.208 1.00 0.34 H new ATOM 0 HB VAL A 33 0.461 2.559 -12.412 1.00 0.38 H new ATOM 0 HG11 VAL A 33 2.147 4.093 -13.551 1.00 0.45 H new ATOM 0 HG12 VAL A 33 1.269 4.907 -12.234 1.00 0.45 H new ATOM 0 HG13 VAL A 33 2.935 4.336 -11.974 1.00 0.45 H new ATOM 0 HG21 VAL A 33 2.545 1.765 -13.570 1.00 0.39 H new ATOM 0 HG22 VAL A 33 3.397 1.822 -12.008 1.00 0.39 H new ATOM 0 HG23 VAL A 33 2.040 0.694 -12.241 1.00 0.39 H new ATOM 497 N GLY A 34 1.374 0.485 -9.484 1.00 0.32 N ATOM 498 CA GLY A 34 0.958 -0.845 -9.040 1.00 0.35 C ATOM 499 C GLY A 34 1.910 -1.453 -8.018 1.00 0.34 C ATOM 500 O GLY A 34 2.877 -0.830 -7.581 1.00 0.34 O ATOM 0 H GLY A 34 2.369 0.657 -9.338 1.00 0.32 H new ATOM 0 HA2 GLY A 34 -0.040 -0.782 -8.607 1.00 0.35 H new ATOM 0 HA3 GLY A 34 0.890 -1.506 -9.904 1.00 0.35 H new ATOM 504 N ALA A 35 1.640 -2.704 -7.659 1.00 0.40 N ATOM 505 CA ALA A 35 2.460 -3.508 -6.762 1.00 0.36 C ATOM 506 C ALA A 35 2.461 -4.988 -7.195 1.00 0.37 C ATOM 507 O ALA A 35 1.834 -5.358 -8.185 1.00 0.45 O ATOM 508 CB ALA A 35 1.940 -3.285 -5.332 1.00 0.45 C ATOM 0 H ALA A 35 0.816 -3.202 -7.996 1.00 0.40 H new ATOM 0 HA ALA A 35 3.506 -3.203 -6.801 1.00 0.36 H new ATOM 0 HB1 ALA A 35 2.534 -3.874 -4.633 1.00 0.45 H new ATOM 0 HB2 ALA A 35 2.021 -2.229 -5.076 1.00 0.45 H new ATOM 0 HB3 ALA A 35 0.896 -3.594 -5.272 1.00 0.45 H new ATOM 514 N ARG A 36 3.149 -5.833 -6.425 1.00 0.41 N ATOM 515 CA ARG A 36 3.046 -7.301 -6.427 1.00 0.47 C ATOM 516 C ARG A 36 3.379 -7.831 -5.024 1.00 0.51 C ATOM 517 O ARG A 36 3.908 -7.084 -4.202 1.00 0.60 O ATOM 518 CB ARG A 36 4.014 -7.917 -7.454 1.00 0.64 C ATOM 519 CG ARG A 36 3.360 -8.796 -8.521 1.00 1.12 C ATOM 520 CD ARG A 36 4.333 -9.873 -9.041 1.00 1.83 C ATOM 521 NE ARG A 36 5.678 -9.327 -9.302 1.00 2.99 N ATOM 522 CZ ARG A 36 6.277 -9.088 -10.457 1.00 4.10 C ATOM 523 NH1 ARG A 36 5.793 -9.477 -11.617 1.00 4.41 N ATOM 524 NH2 ARG A 36 7.411 -8.426 -10.442 1.00 5.94 N ATOM 0 H ARG A 36 3.831 -5.497 -5.745 1.00 0.41 H new ATOM 0 HA ARG A 36 2.029 -7.581 -6.702 1.00 0.47 H new ATOM 0 HB2 ARG A 36 4.552 -7.110 -7.951 1.00 0.64 H new ATOM 0 HB3 ARG A 36 4.754 -8.512 -6.920 1.00 0.64 H new ATOM 0 HG2 ARG A 36 2.474 -9.275 -8.106 1.00 1.12 H new ATOM 0 HG3 ARG A 36 3.026 -8.174 -9.352 1.00 1.12 H new ATOM 0 HD2 ARG A 36 4.405 -10.679 -8.311 1.00 1.83 H new ATOM 0 HD3 ARG A 36 3.935 -10.308 -9.958 1.00 1.83 H new ATOM 0 HE ARG A 36 6.226 -9.101 -8.472 1.00 2.99 H new ATOM 0 HH11 ARG A 36 4.913 -9.991 -11.656 1.00 4.41 H new ATOM 0 HH12 ARG A 36 6.298 -9.265 -12.477 1.00 4.41 H new ATOM 0 HH21 ARG A 36 7.806 -8.111 -9.556 1.00 5.94 H new ATOM 0 HH22 ARG A 36 7.897 -8.226 -11.316 1.00 5.94 H new ATOM 538 N THR A 37 3.143 -9.126 -4.773 1.00 0.50 N ATOM 539 CA THR A 37 3.403 -9.853 -3.510 1.00 0.53 C ATOM 540 C THR A 37 3.073 -11.338 -3.708 1.00 0.59 C ATOM 541 O THR A 37 2.204 -11.624 -4.532 1.00 0.60 O ATOM 542 CB THR A 37 2.604 -9.226 -2.358 1.00 0.57 C ATOM 543 OG1 THR A 37 2.855 -9.905 -1.162 1.00 0.69 O ATOM 544 CG2 THR A 37 1.089 -9.231 -2.566 1.00 0.62 C ATOM 0 H THR A 37 2.741 -9.736 -5.485 1.00 0.50 H new ATOM 0 HA THR A 37 4.456 -9.774 -3.242 1.00 0.53 H new ATOM 0 HB THR A 37 2.940 -8.190 -2.323 1.00 0.57 H new ATOM 0 HG1 THR A 37 3.736 -9.648 -0.818 1.00 0.69 H new ATOM 0 HG21 THR A 37 0.602 -8.770 -1.706 1.00 0.62 H new ATOM 0 HG22 THR A 37 0.844 -8.668 -3.467 1.00 0.62 H new ATOM 0 HG23 THR A 37 0.740 -10.258 -2.673 1.00 0.62 H new ATOM 552 N PRO A 38 3.710 -12.289 -2.996 1.00 0.70 N ATOM 553 CA PRO A 38 3.450 -13.717 -3.173 1.00 0.75 C ATOM 554 C PRO A 38 2.203 -14.222 -2.439 1.00 0.77 C ATOM 555 O PRO A 38 1.875 -15.399 -2.538 1.00 0.88 O ATOM 556 CB PRO A 38 4.717 -14.398 -2.670 1.00 0.80 C ATOM 557 CG PRO A 38 5.255 -13.469 -1.594 1.00 0.84 C ATOM 558 CD PRO A 38 4.838 -12.089 -2.093 1.00 0.79 C ATOM 0 HA PRO A 38 3.230 -13.942 -4.217 1.00 0.75 H new ATOM 0 HB2 PRO A 38 4.501 -15.387 -2.267 1.00 0.80 H new ATOM 0 HB3 PRO A 38 5.440 -14.532 -3.474 1.00 0.80 H new ATOM 0 HG2 PRO A 38 4.826 -13.692 -0.617 1.00 0.84 H new ATOM 0 HG3 PRO A 38 6.337 -13.552 -1.493 1.00 0.84 H new ATOM 0 HD2 PRO A 38 4.556 -11.446 -1.259 1.00 0.79 H new ATOM 0 HD3 PRO A 38 5.664 -11.599 -2.609 1.00 0.79 H new ATOM 566 N VAL A 39 1.529 -13.352 -1.685 1.00 0.76 N ATOM 567 CA VAL A 39 0.346 -13.665 -0.865 1.00 0.80 C ATOM 568 C VAL A 39 -0.954 -12.985 -1.332 1.00 0.73 C ATOM 569 O VAL A 39 -1.842 -12.763 -0.515 1.00 0.83 O ATOM 570 CB VAL A 39 0.624 -13.352 0.625 1.00 0.87 C ATOM 571 CG1 VAL A 39 1.729 -14.254 1.196 1.00 1.02 C ATOM 572 CG2 VAL A 39 0.956 -11.863 0.791 1.00 0.78 C ATOM 0 H VAL A 39 1.799 -12.370 -1.623 1.00 0.76 H new ATOM 0 HA VAL A 39 0.173 -14.734 -0.993 1.00 0.80 H new ATOM 0 HB VAL A 39 -0.276 -13.568 1.200 1.00 0.87 H new ATOM 0 HG11 VAL A 39 1.897 -14.005 2.244 1.00 1.02 H new ATOM 0 HG12 VAL A 39 1.425 -15.298 1.115 1.00 1.02 H new ATOM 0 HG13 VAL A 39 2.651 -14.100 0.635 1.00 1.02 H new ATOM 0 HG21 VAL A 39 1.151 -11.649 1.842 1.00 0.78 H new ATOM 0 HG22 VAL A 39 1.840 -11.619 0.201 1.00 0.78 H new ATOM 0 HG23 VAL A 39 0.114 -11.262 0.448 1.00 0.78 H new ATOM 582 N ALA A 40 -1.105 -12.692 -2.630 1.00 0.67 N ATOM 583 CA ALA A 40 -2.378 -12.264 -3.241 1.00 0.65 C ATOM 584 C ALA A 40 -2.385 -12.492 -4.771 1.00 0.73 C ATOM 585 O ALA A 40 -1.404 -12.196 -5.445 1.00 1.00 O ATOM 586 CB ALA A 40 -2.607 -10.776 -2.923 1.00 0.64 C ATOM 0 H ALA A 40 -0.337 -12.745 -3.299 1.00 0.67 H new ATOM 0 HA ALA A 40 -3.184 -12.866 -2.822 1.00 0.65 H new ATOM 0 HB1 ALA A 40 -3.546 -10.449 -3.370 1.00 0.64 H new ATOM 0 HB2 ALA A 40 -2.652 -10.637 -1.843 1.00 0.64 H new ATOM 0 HB3 ALA A 40 -1.786 -10.186 -3.331 1.00 0.64 H new ATOM 592 N GLU A 41 -3.510 -12.973 -5.312 1.00 0.77 N ATOM 593 CA GLU A 41 -3.768 -13.149 -6.750 1.00 0.87 C ATOM 594 C GLU A 41 -3.825 -11.823 -7.538 1.00 0.85 C ATOM 595 O GLU A 41 -3.506 -11.780 -8.724 1.00 1.26 O ATOM 596 CB GLU A 41 -5.131 -13.858 -6.900 1.00 0.97 C ATOM 597 CG GLU A 41 -5.314 -14.611 -8.224 1.00 1.12 C ATOM 598 CD GLU A 41 -4.561 -15.932 -8.168 1.00 1.65 C ATOM 599 OE1 GLU A 41 -5.110 -16.909 -7.612 1.00 2.90 O ATOM 600 OE2 GLU A 41 -3.355 -15.959 -8.498 1.00 2.40 O ATOM 0 H GLU A 41 -4.301 -13.263 -4.737 1.00 0.77 H new ATOM 0 HA GLU A 41 -2.940 -13.727 -7.161 1.00 0.87 H new ATOM 0 HB2 GLU A 41 -5.253 -14.562 -6.077 1.00 0.97 H new ATOM 0 HB3 GLU A 41 -5.924 -13.117 -6.806 1.00 0.97 H new ATOM 0 HG2 GLU A 41 -6.373 -14.792 -8.408 1.00 1.12 H new ATOM 0 HG3 GLU A 41 -4.946 -14.006 -9.052 1.00 1.12 H new ATOM 607 N ARG A 42 -4.283 -10.736 -6.900 1.00 0.62 N ATOM 608 CA ARG A 42 -4.409 -9.397 -7.478 1.00 0.66 C ATOM 609 C ARG A 42 -4.139 -8.351 -6.396 1.00 0.61 C ATOM 610 O ARG A 42 -4.337 -8.590 -5.206 1.00 0.90 O ATOM 611 CB ARG A 42 -5.806 -9.188 -8.103 1.00 0.78 C ATOM 612 CG ARG A 42 -6.060 -10.132 -9.289 1.00 1.29 C ATOM 613 CD ARG A 42 -7.351 -9.820 -10.050 1.00 1.57 C ATOM 614 NE ARG A 42 -7.534 -10.809 -11.128 1.00 2.68 N ATOM 615 CZ ARG A 42 -8.395 -10.772 -12.136 1.00 3.49 C ATOM 616 NH1 ARG A 42 -9.234 -9.765 -12.307 1.00 3.81 N ATOM 617 NH2 ARG A 42 -8.419 -11.770 -12.994 1.00 4.69 N ATOM 0 H ARG A 42 -4.587 -10.771 -5.927 1.00 0.62 H new ATOM 0 HA ARG A 42 -3.675 -9.288 -8.276 1.00 0.66 H new ATOM 0 HB2 ARG A 42 -6.570 -9.350 -7.342 1.00 0.78 H new ATOM 0 HB3 ARG A 42 -5.902 -8.155 -8.437 1.00 0.78 H new ATOM 0 HG2 ARG A 42 -5.218 -10.072 -9.978 1.00 1.29 H new ATOM 0 HG3 ARG A 42 -6.101 -11.158 -8.924 1.00 1.29 H new ATOM 0 HD2 ARG A 42 -8.202 -9.845 -9.370 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -7.306 -8.814 -10.468 1.00 1.57 H new ATOM 0 HE ARG A 42 -6.922 -11.624 -11.094 1.00 2.68 H new ATOM 0 HH11 ARG A 42 -9.233 -8.983 -11.652 1.00 3.81 H new ATOM 0 HH12 ARG A 42 -9.883 -9.770 -13.094 1.00 3.81 H new ATOM 0 HH21 ARG A 42 -7.781 -12.557 -12.878 1.00 4.69 H new ATOM 0 HH22 ARG A 42 -9.076 -11.756 -13.774 1.00 4.69 H new ATOM 631 N VAL A 43 -3.704 -7.176 -6.834 1.00 0.51 N ATOM 632 CA VAL A 43 -3.408 -6.012 -5.987 1.00 0.48 C ATOM 633 C VAL A 43 -3.861 -4.726 -6.682 1.00 0.58 C ATOM 634 O VAL A 43 -3.745 -4.605 -7.901 1.00 0.84 O ATOM 635 CB VAL A 43 -1.918 -5.976 -5.576 1.00 0.51 C ATOM 636 CG1 VAL A 43 -0.954 -5.815 -6.762 1.00 0.63 C ATOM 637 CG2 VAL A 43 -1.622 -4.882 -4.542 1.00 0.65 C ATOM 0 H VAL A 43 -3.539 -6.994 -7.824 1.00 0.51 H new ATOM 0 HA VAL A 43 -3.974 -6.099 -5.059 1.00 0.48 H new ATOM 0 HB VAL A 43 -1.741 -6.954 -5.128 1.00 0.51 H new ATOM 0 HG11 VAL A 43 0.073 -5.798 -6.397 1.00 0.63 H new ATOM 0 HG12 VAL A 43 -1.081 -6.651 -7.450 1.00 0.63 H new ATOM 0 HG13 VAL A 43 -1.170 -4.882 -7.282 1.00 0.63 H new ATOM 0 HG21 VAL A 43 -0.562 -4.899 -4.287 1.00 0.65 H new ATOM 0 HG22 VAL A 43 -1.879 -3.908 -4.959 1.00 0.65 H new ATOM 0 HG23 VAL A 43 -2.214 -5.060 -3.644 1.00 0.65 H new ATOM 647 N GLU A 44 -4.411 -3.804 -5.894 1.00 0.53 N ATOM 648 CA GLU A 44 -5.159 -2.626 -6.337 1.00 0.48 C ATOM 649 C GLU A 44 -4.781 -1.424 -5.465 1.00 0.49 C ATOM 650 O GLU A 44 -4.627 -1.582 -4.257 1.00 0.61 O ATOM 651 CB GLU A 44 -6.646 -2.961 -6.157 1.00 0.59 C ATOM 652 CG GLU A 44 -7.615 -1.938 -6.741 1.00 1.86 C ATOM 653 CD GLU A 44 -9.024 -2.514 -6.644 1.00 2.07 C ATOM 654 OE1 GLU A 44 -9.536 -2.602 -5.504 1.00 2.84 O ATOM 655 OE2 GLU A 44 -9.563 -2.892 -7.703 1.00 2.55 O ATOM 0 H GLU A 44 -4.344 -3.860 -4.878 1.00 0.53 H new ATOM 0 HA GLU A 44 -4.937 -2.376 -7.375 1.00 0.48 H new ATOM 0 HB2 GLU A 44 -6.843 -3.929 -6.618 1.00 0.59 H new ATOM 0 HB3 GLU A 44 -6.852 -3.067 -5.092 1.00 0.59 H new ATOM 0 HG2 GLU A 44 -7.550 -0.997 -6.195 1.00 1.86 H new ATOM 0 HG3 GLU A 44 -7.362 -1.723 -7.779 1.00 1.86 H new ATOM 662 N LEU A 45 -4.617 -0.222 -6.024 1.00 0.51 N ATOM 663 CA LEU A 45 -4.317 0.966 -5.219 1.00 0.54 C ATOM 664 C LEU A 45 -5.611 1.661 -4.777 1.00 0.48 C ATOM 665 O LEU A 45 -6.463 1.990 -5.604 1.00 0.56 O ATOM 666 CB LEU A 45 -3.406 1.895 -6.029 1.00 0.82 C ATOM 667 CG LEU A 45 -2.949 3.141 -5.245 1.00 0.82 C ATOM 668 CD1 LEU A 45 -1.849 2.838 -4.221 1.00 0.70 C ATOM 669 CD2 LEU A 45 -2.432 4.169 -6.245 1.00 1.44 C ATOM 0 H LEU A 45 -4.686 -0.046 -7.026 1.00 0.51 H new ATOM 0 HA LEU A 45 -3.793 0.679 -4.307 1.00 0.54 H new ATOM 0 HB2 LEU A 45 -2.528 1.337 -6.354 1.00 0.82 H new ATOM 0 HB3 LEU A 45 -3.932 2.214 -6.929 1.00 0.82 H new ATOM 0 HG LEU A 45 -3.806 3.515 -4.685 1.00 0.82 H new ATOM 0 HD11 LEU A 45 -1.571 3.756 -3.703 1.00 0.70 H new ATOM 0 HD12 LEU A 45 -2.216 2.110 -3.498 1.00 0.70 H new ATOM 0 HD13 LEU A 45 -0.977 2.433 -4.733 1.00 0.70 H new ATOM 0 HD21 LEU A 45 -2.102 5.061 -5.712 1.00 1.44 H new ATOM 0 HD22 LEU A 45 -1.594 3.747 -6.800 1.00 1.44 H new ATOM 0 HD23 LEU A 45 -3.230 4.435 -6.939 1.00 1.44 H new ATOM 681 N HIS A 46 -5.736 1.936 -3.477 1.00 0.45 N ATOM 682 CA HIS A 46 -6.826 2.685 -2.852 1.00 0.45 C ATOM 683 C HIS A 46 -6.370 3.975 -2.145 1.00 0.46 C ATOM 684 O HIS A 46 -5.218 4.127 -1.723 1.00 0.56 O ATOM 685 CB HIS A 46 -7.527 1.820 -1.793 1.00 0.52 C ATOM 686 CG HIS A 46 -8.383 0.682 -2.261 1.00 0.64 C ATOM 687 ND1 HIS A 46 -9.066 -0.155 -1.401 1.00 0.79 N ATOM 688 CD2 HIS A 46 -8.617 0.260 -3.533 1.00 0.68 C ATOM 689 CE1 HIS A 46 -9.725 -1.041 -2.151 1.00 0.93 C ATOM 690 NE2 HIS A 46 -9.471 -0.820 -3.449 1.00 0.87 N ATOM 0 H HIS A 46 -5.042 1.625 -2.797 1.00 0.45 H new ATOM 0 HA HIS A 46 -7.491 2.955 -3.672 1.00 0.45 H new ATOM 0 HB2 HIS A 46 -6.759 1.411 -1.136 1.00 0.52 H new ATOM 0 HB3 HIS A 46 -8.150 2.477 -1.185 1.00 0.52 H new ATOM 0 HD2 HIS A 46 -8.211 0.689 -4.437 1.00 0.68 H new ATOM 0 HE1 HIS A 46 -10.368 -1.820 -1.769 1.00 0.93 H new ATOM 0 HE2 HIS A 46 -9.843 -1.355 -4.234 1.00 0.87 H new ATOM 698 N GLU A 47 -7.344 4.857 -1.927 1.00 0.47 N ATOM 699 CA GLU A 47 -7.298 6.041 -1.073 1.00 0.49 C ATOM 700 C GLU A 47 -8.407 5.966 -0.010 1.00 0.72 C ATOM 701 O GLU A 47 -9.407 5.264 -0.209 1.00 0.99 O ATOM 702 CB GLU A 47 -7.357 7.299 -1.958 1.00 0.47 C ATOM 703 CG GLU A 47 -8.652 7.559 -2.750 1.00 0.70 C ATOM 704 CD GLU A 47 -9.717 8.356 -2.002 1.00 1.03 C ATOM 705 OE1 GLU A 47 -9.444 8.847 -0.892 1.00 2.27 O ATOM 706 OE2 GLU A 47 -10.821 8.503 -2.576 1.00 2.14 O ATOM 0 H GLU A 47 -8.254 4.754 -2.377 1.00 0.47 H new ATOM 0 HA GLU A 47 -6.361 6.091 -0.518 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -7.174 8.165 -1.322 1.00 0.47 H new ATOM 0 HB3 GLU A 47 -6.534 7.247 -2.670 1.00 0.47 H new ATOM 0 HG2 GLU A 47 -8.399 8.091 -3.667 1.00 0.70 H new ATOM 0 HG3 GLU A 47 -9.078 6.600 -3.045 1.00 0.70 H new ATOM 713 N THR A 48 -8.179 6.620 1.138 1.00 0.66 N ATOM 714 CA THR A 48 -9.059 6.605 2.323 1.00 0.64 C ATOM 715 C THR A 48 -9.293 8.049 2.744 1.00 0.66 C ATOM 716 O THR A 48 -8.331 8.815 2.807 1.00 0.73 O ATOM 717 CB THR A 48 -8.428 5.841 3.500 1.00 0.69 C ATOM 718 OG1 THR A 48 -7.912 4.611 3.060 1.00 0.92 O ATOM 719 CG2 THR A 48 -9.436 5.540 4.606 1.00 0.60 C ATOM 0 H THR A 48 -7.348 7.195 1.275 1.00 0.66 H new ATOM 0 HA THR A 48 -9.989 6.101 2.062 1.00 0.64 H new ATOM 0 HB THR A 48 -7.642 6.485 3.895 1.00 0.69 H new ATOM 0 HG1 THR A 48 -6.937 4.672 2.988 1.00 0.92 H new ATOM 0 HG21 THR A 48 -8.940 5.000 5.413 1.00 0.60 H new ATOM 0 HG22 THR A 48 -9.843 6.475 4.992 1.00 0.60 H new ATOM 0 HG23 THR A 48 -10.245 4.930 4.205 1.00 0.60 H new ATOM 727 N PHE A 49 -10.539 8.410 3.058 1.00 0.70 N ATOM 728 CA PHE A 49 -10.975 9.800 3.214 1.00 0.72 C ATOM 729 C PHE A 49 -12.129 9.976 4.212 1.00 0.69 C ATOM 730 O PHE A 49 -12.759 9.021 4.673 1.00 0.67 O ATOM 731 CB PHE A 49 -11.361 10.367 1.833 1.00 0.76 C ATOM 732 CG PHE A 49 -12.521 9.657 1.149 1.00 0.71 C ATOM 733 CD1 PHE A 49 -12.312 8.432 0.492 1.00 1.74 C ATOM 734 CD2 PHE A 49 -13.815 10.212 1.168 1.00 2.06 C ATOM 735 CE1 PHE A 49 -13.384 7.761 -0.109 1.00 1.83 C ATOM 736 CE2 PHE A 49 -14.890 9.540 0.560 1.00 2.01 C ATOM 737 CZ PHE A 49 -14.677 8.302 -0.073 1.00 0.79 C ATOM 0 H PHE A 49 -11.286 7.733 3.214 1.00 0.70 H new ATOM 0 HA PHE A 49 -10.136 10.356 3.634 1.00 0.72 H new ATOM 0 HB2 PHE A 49 -11.616 11.421 1.948 1.00 0.76 H new ATOM 0 HB3 PHE A 49 -10.489 10.319 1.180 1.00 0.76 H new ATOM 0 HD1 PHE A 49 -11.320 8.006 0.451 1.00 1.74 H new ATOM 0 HD2 PHE A 49 -13.983 11.162 1.654 1.00 2.06 H new ATOM 0 HE1 PHE A 49 -13.213 6.817 -0.605 1.00 1.83 H new ATOM 0 HE2 PHE A 49 -15.879 9.974 0.579 1.00 2.01 H new ATOM 0 HZ PHE A 49 -15.502 7.773 -0.527 1.00 0.79 H new ATOM 747 N MET A 50 -12.430 11.243 4.517 1.00 0.76 N ATOM 748 CA MET A 50 -13.581 11.686 5.297 1.00 0.78 C ATOM 749 C MET A 50 -14.683 12.236 4.374 1.00 0.64 C ATOM 750 O MET A 50 -14.399 12.872 3.361 1.00 0.58 O ATOM 751 CB MET A 50 -13.104 12.734 6.316 1.00 0.93 C ATOM 752 CG MET A 50 -14.249 13.139 7.237 1.00 2.17 C ATOM 753 SD MET A 50 -13.778 14.161 8.656 1.00 2.68 S ATOM 754 CE MET A 50 -14.037 15.802 7.933 1.00 3.88 C ATOM 0 H MET A 50 -11.847 12.021 4.210 1.00 0.76 H new ATOM 0 HA MET A 50 -14.019 10.846 5.836 1.00 0.78 H new ATOM 0 HB2 MET A 50 -12.281 12.330 6.905 1.00 0.93 H new ATOM 0 HB3 MET A 50 -12.722 13.611 5.794 1.00 0.93 H new ATOM 0 HG2 MET A 50 -14.991 13.681 6.650 1.00 2.17 H new ATOM 0 HG3 MET A 50 -14.733 12.235 7.606 1.00 2.17 H new ATOM 0 HE1 MET A 50 -13.794 16.567 8.671 1.00 3.88 H new ATOM 0 HE2 MET A 50 -13.394 15.921 7.061 1.00 3.88 H new ATOM 0 HE3 MET A 50 -15.079 15.906 7.632 1.00 3.88 H new ATOM 764 N ARG A 51 -15.944 11.987 4.736 1.00 0.68 N ATOM 765 CA ARG A 51 -17.152 12.369 3.989 1.00 0.61 C ATOM 766 C ARG A 51 -18.388 12.486 4.888 1.00 0.75 C ATOM 767 O ARG A 51 -18.507 11.780 5.888 1.00 0.81 O ATOM 768 CB ARG A 51 -17.427 11.352 2.858 1.00 0.78 C ATOM 769 CG ARG A 51 -17.414 9.881 3.327 1.00 2.16 C ATOM 770 CD ARG A 51 -18.419 8.999 2.579 1.00 2.83 C ATOM 771 NE ARG A 51 -18.490 7.668 3.206 1.00 4.93 N ATOM 772 CZ ARG A 51 -19.379 6.710 2.990 1.00 6.26 C ATOM 773 NH1 ARG A 51 -20.302 6.791 2.048 1.00 5.95 N ATOM 774 NH2 ARG A 51 -19.319 5.635 3.741 1.00 8.21 N ATOM 0 H ARG A 51 -16.164 11.490 5.599 1.00 0.68 H new ATOM 0 HA ARG A 51 -16.961 13.355 3.564 1.00 0.61 H new ATOM 0 HB2 ARG A 51 -18.396 11.573 2.411 1.00 0.78 H new ATOM 0 HB3 ARG A 51 -16.679 11.481 2.076 1.00 0.78 H new ATOM 0 HG2 ARG A 51 -16.412 9.473 3.193 1.00 2.16 H new ATOM 0 HG3 ARG A 51 -17.633 9.845 4.394 1.00 2.16 H new ATOM 0 HD2 ARG A 51 -19.403 9.467 2.589 1.00 2.83 H new ATOM 0 HD3 ARG A 51 -18.123 8.902 1.535 1.00 2.83 H new ATOM 0 HE ARG A 51 -17.765 7.458 3.892 1.00 4.93 H new ATOM 0 HH11 ARG A 51 -20.350 7.617 1.451 1.00 5.95 H new ATOM 0 HH12 ARG A 51 -20.966 6.028 1.918 1.00 5.95 H new ATOM 0 HH21 ARG A 51 -18.603 5.557 4.464 1.00 8.21 H new ATOM 0 HH22 ARG A 51 -19.988 4.878 3.602 1.00 8.21 H new ATOM 788 N GLU A 52 -19.346 13.314 4.494 1.00 0.97 N ATOM 789 CA GLU A 52 -20.656 13.403 5.114 1.00 1.15 C ATOM 790 C GLU A 52 -21.584 12.280 4.632 1.00 1.54 C ATOM 791 O GLU A 52 -21.617 11.962 3.444 1.00 1.97 O ATOM 792 CB GLU A 52 -21.232 14.796 4.793 1.00 1.70 C ATOM 793 CG GLU A 52 -21.732 15.508 6.050 1.00 1.40 C ATOM 794 CD GLU A 52 -20.669 15.700 7.135 1.00 1.56 C ATOM 795 OE1 GLU A 52 -19.467 15.551 6.824 1.00 2.64 O ATOM 796 OE2 GLU A 52 -21.078 15.870 8.305 1.00 1.94 O ATOM 0 H GLU A 52 -19.228 13.959 3.713 1.00 0.97 H new ATOM 0 HA GLU A 52 -20.569 13.277 6.193 1.00 1.15 H new ATOM 0 HB2 GLU A 52 -20.466 15.404 4.312 1.00 1.70 H new ATOM 0 HB3 GLU A 52 -22.052 14.695 4.082 1.00 1.70 H new ATOM 0 HG2 GLU A 52 -22.125 16.485 5.767 1.00 1.40 H new ATOM 0 HG3 GLU A 52 -22.562 14.939 6.469 1.00 1.40 H new ATOM 803 N VAL A 53 -22.362 11.703 5.549 1.00 1.62 N ATOM 804 CA VAL A 53 -23.533 10.861 5.265 1.00 2.22 C ATOM 805 C VAL A 53 -24.588 11.217 6.311 1.00 2.26 C ATOM 806 O VAL A 53 -24.271 11.264 7.496 1.00 2.41 O ATOM 807 CB VAL A 53 -23.207 9.346 5.320 1.00 2.57 C ATOM 808 CG1 VAL A 53 -24.465 8.491 5.088 1.00 3.13 C ATOM 809 CG2 VAL A 53 -22.164 8.924 4.265 1.00 2.88 C ATOM 0 H VAL A 53 -22.190 11.811 6.549 1.00 1.62 H new ATOM 0 HA VAL A 53 -23.884 11.051 4.251 1.00 2.22 H new ATOM 0 HB VAL A 53 -22.804 9.177 6.318 1.00 2.57 H new ATOM 0 HG11 VAL A 53 -24.200 7.435 5.133 1.00 3.13 H new ATOM 0 HG12 VAL A 53 -25.203 8.713 5.858 1.00 3.13 H new ATOM 0 HG13 VAL A 53 -24.884 8.719 4.108 1.00 3.13 H new ATOM 0 HG21 VAL A 53 -21.974 7.854 4.349 1.00 2.88 H new ATOM 0 HG22 VAL A 53 -22.544 9.148 3.268 1.00 2.88 H new ATOM 0 HG23 VAL A 53 -21.236 9.471 4.431 1.00 2.88 H new ATOM 819 N GLU A 54 -25.816 11.515 5.868 1.00 2.59 N ATOM 820 CA GLU A 54 -26.948 11.872 6.742 1.00 2.68 C ATOM 821 C GLU A 54 -26.688 13.173 7.543 1.00 2.25 C ATOM 822 O GLU A 54 -27.131 13.315 8.680 1.00 2.21 O ATOM 823 CB GLU A 54 -27.282 10.686 7.663 1.00 2.84 C ATOM 824 CG GLU A 54 -28.736 10.683 8.167 1.00 3.25 C ATOM 825 CD GLU A 54 -28.793 10.054 9.553 1.00 3.92 C ATOM 826 OE1 GLU A 54 -28.127 9.014 9.766 1.00 4.48 O ATOM 827 OE2 GLU A 54 -29.333 10.682 10.486 1.00 4.53 O ATOM 0 H GLU A 54 -26.058 11.516 4.877 1.00 2.59 H new ATOM 0 HA GLU A 54 -27.813 12.081 6.113 1.00 2.68 H new ATOM 0 HB2 GLU A 54 -27.091 9.756 7.127 1.00 2.84 H new ATOM 0 HB3 GLU A 54 -26.610 10.703 8.521 1.00 2.84 H new ATOM 0 HG2 GLU A 54 -29.122 11.702 8.202 1.00 3.25 H new ATOM 0 HG3 GLU A 54 -29.370 10.126 7.477 1.00 3.25 H new ATOM 834 N GLY A 55 -25.898 14.103 6.988 1.00 2.14 N ATOM 835 CA GLY A 55 -25.506 15.347 7.671 1.00 2.09 C ATOM 836 C GLY A 55 -24.474 15.152 8.785 1.00 1.58 C ATOM 837 O GLY A 55 -24.329 16.027 9.636 1.00 1.96 O ATOM 0 H GLY A 55 -25.511 14.014 6.049 1.00 2.14 H new ATOM 0 HA2 GLY A 55 -25.102 16.041 6.934 1.00 2.09 H new ATOM 0 HA3 GLY A 55 -26.396 15.813 8.093 1.00 2.09 H new ATOM 841 N LYS A 56 -23.789 14.002 8.814 1.00 1.11 N ATOM 842 CA LYS A 56 -22.797 13.635 9.817 1.00 1.24 C ATOM 843 C LYS A 56 -21.534 13.064 9.151 1.00 1.03 C ATOM 844 O LYS A 56 -21.582 12.198 8.268 1.00 0.93 O ATOM 845 CB LYS A 56 -23.422 12.606 10.780 1.00 1.69 C ATOM 846 CG LYS A 56 -24.616 13.176 11.578 1.00 2.12 C ATOM 847 CD LYS A 56 -25.437 12.109 12.312 1.00 2.30 C ATOM 848 CE LYS A 56 -26.061 11.142 11.304 1.00 2.23 C ATOM 849 NZ LYS A 56 -27.098 10.280 11.907 1.00 3.06 N ATOM 0 H LYS A 56 -23.920 13.277 8.109 1.00 1.11 H new ATOM 0 HA LYS A 56 -22.499 14.522 10.376 1.00 1.24 H new ATOM 0 HB2 LYS A 56 -23.754 11.738 10.210 1.00 1.69 H new ATOM 0 HB3 LYS A 56 -22.659 12.258 11.476 1.00 1.69 H new ATOM 0 HG2 LYS A 56 -24.243 13.898 12.305 1.00 2.12 H new ATOM 0 HG3 LYS A 56 -25.270 13.719 10.896 1.00 2.12 H new ATOM 0 HD2 LYS A 56 -24.799 11.562 13.006 1.00 2.30 H new ATOM 0 HD3 LYS A 56 -26.219 12.584 12.904 1.00 2.30 H new ATOM 0 HE2 LYS A 56 -26.499 11.711 10.484 1.00 2.23 H new ATOM 0 HE3 LYS A 56 -25.279 10.516 10.875 1.00 2.23 H new ATOM 0 HZ1 LYS A 56 -27.103 9.357 11.429 1.00 3.06 H new ATOM 0 HZ2 LYS A 56 -26.893 10.145 12.918 1.00 3.06 H new ATOM 0 HZ3 LYS A 56 -28.029 10.730 11.800 1.00 3.06 H new ATOM 863 N LYS A 57 -20.382 13.544 9.605 1.00 1.31 N ATOM 864 CA LYS A 57 -19.066 13.197 9.083 1.00 1.24 C ATOM 865 C LYS A 57 -18.675 11.773 9.512 1.00 1.31 C ATOM 866 O LYS A 57 -18.625 11.451 10.701 1.00 1.72 O ATOM 867 CB LYS A 57 -18.061 14.306 9.469 1.00 1.70 C ATOM 868 CG LYS A 57 -17.790 14.452 10.972 1.00 1.72 C ATOM 869 CD LYS A 57 -16.537 13.674 11.394 1.00 2.88 C ATOM 870 CE LYS A 57 -16.606 13.225 12.857 1.00 4.24 C ATOM 871 NZ LYS A 57 -16.822 14.364 13.782 1.00 5.05 N ATOM 0 H LYS A 57 -20.338 14.211 10.376 1.00 1.31 H new ATOM 0 HA LYS A 57 -19.068 13.161 7.994 1.00 1.24 H new ATOM 0 HB2 LYS A 57 -17.116 14.108 8.964 1.00 1.70 H new ATOM 0 HB3 LYS A 57 -18.432 15.258 9.089 1.00 1.70 H new ATOM 0 HG2 LYS A 57 -17.666 15.506 11.220 1.00 1.72 H new ATOM 0 HG3 LYS A 57 -18.651 14.091 11.535 1.00 1.72 H new ATOM 0 HD2 LYS A 57 -16.419 12.801 10.752 1.00 2.88 H new ATOM 0 HD3 LYS A 57 -15.656 14.299 11.248 1.00 2.88 H new ATOM 0 HE2 LYS A 57 -17.414 12.504 12.976 1.00 4.24 H new ATOM 0 HE3 LYS A 57 -15.681 12.714 13.123 1.00 4.24 H new ATOM 0 HZ1 LYS A 57 -16.710 14.040 14.764 1.00 5.05 H new ATOM 0 HZ2 LYS A 57 -16.126 15.110 13.582 1.00 5.05 H new ATOM 0 HZ3 LYS A 57 -17.782 14.742 13.649 1.00 5.05 H new ATOM 885 N VAL A 58 -18.393 10.937 8.522 1.00 1.07 N ATOM 886 CA VAL A 58 -17.963 9.543 8.578 1.00 1.33 C ATOM 887 C VAL A 58 -16.799 9.339 7.592 1.00 1.23 C ATOM 888 O VAL A 58 -16.330 10.305 6.993 1.00 1.44 O ATOM 889 CB VAL A 58 -19.145 8.609 8.247 1.00 1.46 C ATOM 890 CG1 VAL A 58 -20.223 8.640 9.342 1.00 3.00 C ATOM 891 CG2 VAL A 58 -19.781 8.872 6.872 1.00 2.03 C ATOM 0 H VAL A 58 -18.468 11.252 7.555 1.00 1.07 H new ATOM 0 HA VAL A 58 -17.620 9.299 9.584 1.00 1.33 H new ATOM 0 HB VAL A 58 -18.708 7.611 8.206 1.00 1.46 H new ATOM 0 HG11 VAL A 58 -21.037 7.969 9.070 1.00 3.00 H new ATOM 0 HG12 VAL A 58 -19.789 8.319 10.289 1.00 3.00 H new ATOM 0 HG13 VAL A 58 -20.608 9.655 9.445 1.00 3.00 H new ATOM 0 HG21 VAL A 58 -20.604 8.176 6.713 1.00 2.03 H new ATOM 0 HG22 VAL A 58 -20.158 9.894 6.835 1.00 2.03 H new ATOM 0 HG23 VAL A 58 -19.032 8.733 6.092 1.00 2.03 H new ATOM 901 N MET A 59 -16.306 8.112 7.419 1.00 1.00 N ATOM 902 CA MET A 59 -15.209 7.815 6.487 1.00 0.87 C ATOM 903 C MET A 59 -15.644 6.969 5.284 1.00 0.83 C ATOM 904 O MET A 59 -16.774 6.464 5.208 1.00 0.94 O ATOM 905 CB MET A 59 -14.015 7.207 7.241 1.00 0.94 C ATOM 906 CG MET A 59 -13.383 8.229 8.201 1.00 1.03 C ATOM 907 SD MET A 59 -14.199 8.454 9.810 1.00 2.60 S ATOM 908 CE MET A 59 -13.000 7.637 10.895 1.00 2.79 C ATOM 0 H MET A 59 -16.653 7.294 7.919 1.00 1.00 H new ATOM 0 HA MET A 59 -14.887 8.762 6.055 1.00 0.87 H new ATOM 0 HB2 MET A 59 -14.344 6.332 7.802 1.00 0.94 H new ATOM 0 HB3 MET A 59 -13.267 6.865 6.526 1.00 0.94 H new ATOM 0 HG2 MET A 59 -12.350 7.932 8.382 1.00 1.03 H new ATOM 0 HG3 MET A 59 -13.353 9.195 7.697 1.00 1.03 H new ATOM 0 HE1 MET A 59 -13.350 7.686 11.926 1.00 2.79 H new ATOM 0 HE2 MET A 59 -12.892 6.594 10.597 1.00 2.79 H new ATOM 0 HE3 MET A 59 -12.036 8.139 10.815 1.00 2.79 H new ATOM 918 N GLY A 60 -14.739 6.869 4.310 1.00 0.74 N ATOM 919 CA GLY A 60 -14.869 6.099 3.074 1.00 0.75 C ATOM 920 C GLY A 60 -13.510 5.702 2.486 1.00 0.68 C ATOM 921 O GLY A 60 -12.467 6.152 2.947 1.00 0.69 O ATOM 0 H GLY A 60 -13.843 7.352 4.367 1.00 0.74 H new ATOM 0 HA2 GLY A 60 -15.454 5.200 3.269 1.00 0.75 H new ATOM 0 HA3 GLY A 60 -15.422 6.686 2.340 1.00 0.75 H new ATOM 925 N MET A 61 -13.540 4.860 1.455 1.00 0.70 N ATOM 926 CA MET A 61 -12.373 4.353 0.724 1.00 0.64 C ATOM 927 C MET A 61 -12.767 4.068 -0.724 1.00 0.63 C ATOM 928 O MET A 61 -13.889 3.639 -0.989 1.00 0.74 O ATOM 929 CB MET A 61 -11.868 3.116 1.473 1.00 0.79 C ATOM 930 CG MET A 61 -10.827 2.251 0.755 1.00 0.80 C ATOM 931 SD MET A 61 -10.605 0.593 1.485 1.00 1.03 S ATOM 932 CE MET A 61 -10.537 1.031 3.237 1.00 1.76 C ATOM 0 H MET A 61 -14.418 4.494 1.087 1.00 0.70 H new ATOM 0 HA MET A 61 -11.562 5.080 0.680 1.00 0.64 H new ATOM 0 HB2 MET A 61 -11.442 3.443 2.421 1.00 0.79 H new ATOM 0 HB3 MET A 61 -12.727 2.488 1.709 1.00 0.79 H new ATOM 0 HG2 MET A 61 -11.120 2.140 -0.289 1.00 0.80 H new ATOM 0 HG3 MET A 61 -9.869 2.771 0.764 1.00 0.80 H new ATOM 0 HE1 MET A 61 -10.143 0.190 3.807 1.00 1.76 H new ATOM 0 HE2 MET A 61 -9.887 1.896 3.371 1.00 1.76 H new ATOM 0 HE3 MET A 61 -11.539 1.272 3.591 1.00 1.76 H new ATOM 942 N ARG A 62 -11.854 4.344 -1.654 1.00 0.59 N ATOM 943 CA ARG A 62 -12.053 4.228 -3.107 1.00 0.61 C ATOM 944 C ARG A 62 -10.760 3.746 -3.782 1.00 0.56 C ATOM 945 O ARG A 62 -9.688 3.976 -3.218 1.00 0.51 O ATOM 946 CB ARG A 62 -12.419 5.610 -3.675 1.00 0.66 C ATOM 947 CG ARG A 62 -13.876 6.018 -3.420 1.00 1.66 C ATOM 948 CD ARG A 62 -14.235 7.336 -4.128 1.00 1.79 C ATOM 949 NE ARG A 62 -13.335 8.434 -3.740 1.00 2.62 N ATOM 950 CZ ARG A 62 -13.265 9.661 -4.231 1.00 3.57 C ATOM 951 NH1 ARG A 62 -14.129 10.125 -5.110 1.00 3.83 N ATOM 952 NH2 ARG A 62 -12.266 10.413 -3.834 1.00 4.46 N ATOM 0 H ARG A 62 -10.917 4.667 -1.412 1.00 0.59 H new ATOM 0 HA ARG A 62 -12.851 3.511 -3.300 1.00 0.61 H new ATOM 0 HB2 ARG A 62 -11.760 6.359 -3.236 1.00 0.66 H new ATOM 0 HB3 ARG A 62 -12.234 5.612 -4.749 1.00 0.66 H new ATOM 0 HG2 ARG A 62 -14.541 5.227 -3.767 1.00 1.66 H new ATOM 0 HG3 ARG A 62 -14.041 6.125 -2.348 1.00 1.66 H new ATOM 0 HD2 ARG A 62 -14.187 7.192 -5.207 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -15.263 7.608 -3.888 1.00 1.79 H new ATOM 0 HE ARG A 62 -12.676 8.220 -2.991 1.00 2.62 H new ATOM 0 HH11 ARG A 62 -14.890 9.531 -5.439 1.00 3.83 H new ATOM 0 HH12 ARG A 62 -14.037 11.078 -5.462 1.00 3.83 H new ATOM 0 HH21 ARG A 62 -11.582 10.045 -3.172 1.00 4.46 H new ATOM 0 HH22 ARG A 62 -12.173 11.365 -4.187 1.00 4.46 H new ATOM 966 N PRO A 63 -10.818 3.111 -4.967 1.00 0.61 N ATOM 967 CA PRO A 63 -9.631 2.832 -5.758 1.00 0.60 C ATOM 968 C PRO A 63 -9.119 4.102 -6.451 1.00 0.58 C ATOM 969 O PRO A 63 -9.857 5.072 -6.600 1.00 0.63 O ATOM 970 CB PRO A 63 -10.050 1.743 -6.741 1.00 0.69 C ATOM 971 CG PRO A 63 -11.516 2.086 -7.006 1.00 0.74 C ATOM 972 CD PRO A 63 -12.003 2.612 -5.651 1.00 0.71 C ATOM 0 HA PRO A 63 -8.793 2.494 -5.148 1.00 0.60 H new ATOM 0 HB2 PRO A 63 -9.455 1.769 -7.654 1.00 0.69 H new ATOM 0 HB3 PRO A 63 -9.937 0.746 -6.315 1.00 0.69 H new ATOM 0 HG2 PRO A 63 -11.619 2.837 -7.790 1.00 0.74 H new ATOM 0 HG3 PRO A 63 -12.083 1.212 -7.326 1.00 0.74 H new ATOM 0 HD2 PRO A 63 -12.741 3.404 -5.782 1.00 0.71 H new ATOM 0 HD3 PRO A 63 -12.483 1.821 -5.075 1.00 0.71 H new ATOM 980 N VAL A 64 -7.852 4.077 -6.877 1.00 0.56 N ATOM 981 CA VAL A 64 -7.142 5.188 -7.539 1.00 0.55 C ATOM 982 C VAL A 64 -6.089 4.646 -8.523 1.00 0.56 C ATOM 983 O VAL A 64 -5.669 3.495 -8.378 1.00 0.59 O ATOM 984 CB VAL A 64 -6.477 6.160 -6.526 1.00 0.53 C ATOM 985 CG1 VAL A 64 -7.373 7.378 -6.259 1.00 0.86 C ATOM 986 CG2 VAL A 64 -6.088 5.508 -5.193 1.00 1.16 C ATOM 0 H VAL A 64 -7.265 3.250 -6.768 1.00 0.56 H new ATOM 0 HA VAL A 64 -7.892 5.758 -8.088 1.00 0.55 H new ATOM 0 HB VAL A 64 -5.549 6.475 -7.004 1.00 0.53 H new ATOM 0 HG11 VAL A 64 -6.883 8.041 -5.546 1.00 0.86 H new ATOM 0 HG12 VAL A 64 -7.547 7.913 -7.192 1.00 0.86 H new ATOM 0 HG13 VAL A 64 -8.326 7.045 -5.848 1.00 0.86 H new ATOM 0 HG21 VAL A 64 -5.631 6.254 -4.543 1.00 1.16 H new ATOM 0 HG22 VAL A 64 -6.979 5.105 -4.712 1.00 1.16 H new ATOM 0 HG23 VAL A 64 -5.378 4.702 -5.376 1.00 1.16 H new ATOM 996 N PRO A 65 -5.676 5.426 -9.547 1.00 0.56 N ATOM 997 CA PRO A 65 -4.934 4.914 -10.701 1.00 0.60 C ATOM 998 C PRO A 65 -3.422 4.825 -10.474 1.00 0.57 C ATOM 999 O PRO A 65 -2.774 4.018 -11.133 1.00 0.59 O ATOM 1000 CB PRO A 65 -5.280 5.880 -11.836 1.00 0.66 C ATOM 1001 CG PRO A 65 -5.431 7.219 -11.118 1.00 0.62 C ATOM 1002 CD PRO A 65 -6.048 6.818 -9.778 1.00 0.56 C ATOM 0 HA PRO A 65 -5.218 3.884 -10.918 1.00 0.60 H new ATOM 0 HB2 PRO A 65 -4.494 5.914 -12.590 1.00 0.66 H new ATOM 0 HB3 PRO A 65 -6.199 5.590 -12.346 1.00 0.66 H new ATOM 0 HG2 PRO A 65 -4.471 7.718 -10.988 1.00 0.62 H new ATOM 0 HG3 PRO A 65 -6.074 7.904 -11.671 1.00 0.62 H new ATOM 0 HD2 PRO A 65 -5.679 7.456 -8.975 1.00 0.56 H new ATOM 0 HD3 PRO A 65 -7.132 6.931 -9.801 1.00 0.56 H new ATOM 1010 N PHE A 66 -2.872 5.645 -9.571 1.00 0.52 N ATOM 1011 CA PHE A 66 -1.446 5.745 -9.232 1.00 0.49 C ATOM 1012 C PHE A 66 -1.221 6.750 -8.085 1.00 0.49 C ATOM 1013 O PHE A 66 -2.128 7.495 -7.708 1.00 0.56 O ATOM 1014 CB PHE A 66 -0.596 6.116 -10.466 1.00 0.57 C ATOM 1015 CG PHE A 66 -0.892 7.475 -11.056 1.00 0.65 C ATOM 1016 CD1 PHE A 66 -0.227 8.610 -10.561 1.00 1.56 C ATOM 1017 CD2 PHE A 66 -1.850 7.612 -12.073 1.00 2.36 C ATOM 1018 CE1 PHE A 66 -0.552 9.887 -11.033 1.00 1.55 C ATOM 1019 CE2 PHE A 66 -2.156 8.892 -12.577 1.00 2.43 C ATOM 1020 CZ PHE A 66 -1.515 10.030 -12.049 1.00 0.80 C ATOM 0 H PHE A 66 -3.441 6.293 -9.026 1.00 0.52 H new ATOM 0 HA PHE A 66 -1.119 4.763 -8.891 1.00 0.49 H new ATOM 0 HB2 PHE A 66 0.457 6.078 -10.188 1.00 0.57 H new ATOM 0 HB3 PHE A 66 -0.750 5.360 -11.236 1.00 0.57 H new ATOM 0 HD1 PHE A 66 0.541 8.496 -9.810 1.00 1.56 H new ATOM 0 HD2 PHE A 66 -2.350 6.740 -12.468 1.00 2.36 H new ATOM 0 HE1 PHE A 66 -0.066 10.758 -10.619 1.00 1.55 H new ATOM 0 HE2 PHE A 66 -2.883 9.001 -13.369 1.00 2.43 H new ATOM 0 HZ PHE A 66 -1.763 11.012 -12.424 1.00 0.80 H new ATOM 1030 N LEU A 67 0.013 6.800 -7.569 1.00 0.50 N ATOM 1031 CA LEU A 67 0.566 7.877 -6.741 1.00 0.57 C ATOM 1032 C LEU A 67 1.730 8.549 -7.469 1.00 0.67 C ATOM 1033 O LEU A 67 2.408 7.908 -8.270 1.00 0.65 O ATOM 1034 CB LEU A 67 1.113 7.324 -5.412 1.00 0.57 C ATOM 1035 CG LEU A 67 0.150 6.501 -4.543 1.00 0.51 C ATOM 1036 CD1 LEU A 67 0.846 6.162 -3.224 1.00 0.58 C ATOM 1037 CD2 LEU A 67 -1.149 7.247 -4.231 1.00 0.52 C ATOM 0 H LEU A 67 0.687 6.051 -7.726 1.00 0.50 H new ATOM 0 HA LEU A 67 -0.238 8.587 -6.548 1.00 0.57 H new ATOM 0 HB2 LEU A 67 1.980 6.703 -5.636 1.00 0.57 H new ATOM 0 HB3 LEU A 67 1.469 8.165 -4.817 1.00 0.57 H new ATOM 0 HG LEU A 67 -0.111 5.603 -5.104 1.00 0.51 H new ATOM 0 HD11 LEU A 67 0.173 5.577 -2.597 1.00 0.58 H new ATOM 0 HD12 LEU A 67 1.747 5.583 -3.426 1.00 0.58 H new ATOM 0 HD13 LEU A 67 1.115 7.083 -2.707 1.00 0.58 H new ATOM 0 HD21 LEU A 67 -1.791 6.618 -3.614 1.00 0.52 H new ATOM 0 HD22 LEU A 67 -0.920 8.168 -3.694 1.00 0.52 H new ATOM 0 HD23 LEU A 67 -1.663 7.488 -5.162 1.00 0.52 H new ATOM 1049 N GLU A 68 1.978 9.819 -7.163 1.00 0.80 N ATOM 1050 CA GLU A 68 3.121 10.590 -7.657 1.00 0.89 C ATOM 1051 C GLU A 68 4.007 10.942 -6.461 1.00 0.94 C ATOM 1052 O GLU A 68 3.469 11.224 -5.391 1.00 0.99 O ATOM 1053 CB GLU A 68 2.609 11.885 -8.309 1.00 1.00 C ATOM 1054 CG GLU A 68 3.717 12.748 -8.931 1.00 1.10 C ATOM 1055 CD GLU A 68 4.062 12.289 -10.352 1.00 1.02 C ATOM 1056 OE1 GLU A 68 4.300 11.085 -10.567 1.00 1.63 O ATOM 1057 OE2 GLU A 68 3.991 13.116 -11.285 1.00 1.87 O ATOM 0 H GLU A 68 1.372 10.359 -6.546 1.00 0.80 H new ATOM 0 HA GLU A 68 3.685 10.014 -8.391 1.00 0.89 H new ATOM 0 HB2 GLU A 68 1.884 11.629 -9.082 1.00 1.00 H new ATOM 0 HB3 GLU A 68 2.081 12.474 -7.559 1.00 1.00 H new ATOM 0 HG2 GLU A 68 3.398 13.790 -8.952 1.00 1.10 H new ATOM 0 HG3 GLU A 68 4.609 12.701 -8.306 1.00 1.10 H new ATOM 1064 N VAL A 69 5.334 10.980 -6.634 1.00 0.96 N ATOM 1065 CA VAL A 69 6.246 11.489 -5.605 1.00 1.01 C ATOM 1066 C VAL A 69 7.434 12.272 -6.196 1.00 0.97 C ATOM 1067 O VAL A 69 8.069 11.785 -7.135 1.00 0.98 O ATOM 1068 CB VAL A 69 6.776 10.346 -4.694 1.00 1.04 C ATOM 1069 CG1 VAL A 69 7.573 10.888 -3.496 1.00 1.13 C ATOM 1070 CG2 VAL A 69 5.675 9.424 -4.126 1.00 1.10 C ATOM 0 H VAL A 69 5.801 10.662 -7.483 1.00 0.96 H new ATOM 0 HA VAL A 69 5.656 12.180 -5.003 1.00 1.01 H new ATOM 0 HB VAL A 69 7.412 9.763 -5.360 1.00 1.04 H new ATOM 0 HG11 VAL A 69 7.924 10.056 -2.886 1.00 1.13 H new ATOM 0 HG12 VAL A 69 8.428 11.460 -3.857 1.00 1.13 H new ATOM 0 HG13 VAL A 69 6.932 11.533 -2.895 1.00 1.13 H new ATOM 0 HG21 VAL A 69 6.131 8.655 -3.502 1.00 1.10 H new ATOM 0 HG22 VAL A 69 4.981 10.013 -3.527 1.00 1.10 H new ATOM 0 HG23 VAL A 69 5.136 8.952 -4.948 1.00 1.10 H new ATOM 1080 N PRO A 70 7.778 13.458 -5.649 1.00 0.97 N ATOM 1081 CA PRO A 70 8.944 14.236 -6.071 1.00 0.93 C ATOM 1082 C PRO A 70 10.280 13.544 -5.723 1.00 0.92 C ATOM 1083 O PRO A 70 10.297 12.546 -5.000 1.00 1.06 O ATOM 1084 CB PRO A 70 8.798 15.588 -5.354 1.00 0.93 C ATOM 1085 CG PRO A 70 8.027 15.240 -4.088 1.00 0.96 C ATOM 1086 CD PRO A 70 7.073 14.158 -4.581 1.00 1.03 C ATOM 0 HA PRO A 70 8.973 14.347 -7.155 1.00 0.93 H new ATOM 0 HB2 PRO A 70 9.769 16.027 -5.124 1.00 0.93 H new ATOM 0 HB3 PRO A 70 8.258 16.310 -5.966 1.00 0.93 H new ATOM 0 HG2 PRO A 70 8.684 14.875 -3.298 1.00 0.96 H new ATOM 0 HG3 PRO A 70 7.493 16.101 -3.686 1.00 0.96 H new ATOM 0 HD2 PRO A 70 6.808 13.474 -3.775 1.00 1.03 H new ATOM 0 HD3 PRO A 70 6.144 14.594 -4.947 1.00 1.03 H new ATOM 1094 N PRO A 71 11.413 14.068 -6.225 1.00 0.88 N ATOM 1095 CA PRO A 71 12.740 13.613 -5.836 1.00 0.86 C ATOM 1096 C PRO A 71 13.069 13.893 -4.373 1.00 0.93 C ATOM 1097 O PRO A 71 12.637 14.894 -3.803 1.00 1.04 O ATOM 1098 CB PRO A 71 13.707 14.318 -6.778 1.00 0.88 C ATOM 1099 CG PRO A 71 12.958 15.536 -7.294 1.00 0.93 C ATOM 1100 CD PRO A 71 11.503 15.087 -7.264 1.00 0.92 C ATOM 0 HA PRO A 71 12.809 12.528 -5.919 1.00 0.86 H new ATOM 0 HB2 PRO A 71 14.619 14.610 -6.257 1.00 0.88 H new ATOM 0 HB3 PRO A 71 14.003 13.664 -7.598 1.00 0.88 H new ATOM 0 HG2 PRO A 71 13.123 16.408 -6.662 1.00 0.93 H new ATOM 0 HG3 PRO A 71 13.275 15.807 -8.301 1.00 0.93 H new ATOM 0 HD2 PRO A 71 10.841 15.925 -7.045 1.00 0.92 H new ATOM 0 HD3 PRO A 71 11.200 14.685 -8.231 1.00 0.92 H new ATOM 1108 N LYS A 72 13.859 12.992 -3.782 1.00 0.91 N ATOM 1109 CA LYS A 72 14.463 13.126 -2.447 1.00 1.00 C ATOM 1110 C LYS A 72 13.441 13.407 -1.337 1.00 1.15 C ATOM 1111 O LYS A 72 13.628 14.238 -0.449 1.00 1.82 O ATOM 1112 CB LYS A 72 15.713 14.009 -2.526 1.00 1.13 C ATOM 1113 CG LYS A 72 16.629 13.366 -3.589 1.00 1.54 C ATOM 1114 CD LYS A 72 18.109 13.574 -3.352 1.00 1.22 C ATOM 1115 CE LYS A 72 18.519 15.006 -3.705 1.00 2.26 C ATOM 1116 NZ LYS A 72 19.933 15.068 -4.131 1.00 3.00 N ATOM 0 H LYS A 72 14.107 12.113 -4.236 1.00 0.91 H new ATOM 0 HA LYS A 72 14.839 12.161 -2.107 1.00 1.00 H new ATOM 0 HB2 LYS A 72 15.451 15.030 -2.804 1.00 1.13 H new ATOM 0 HB3 LYS A 72 16.215 14.060 -1.560 1.00 1.13 H new ATOM 0 HG2 LYS A 72 16.427 12.296 -3.625 1.00 1.54 H new ATOM 0 HG3 LYS A 72 16.370 13.772 -4.567 1.00 1.54 H new ATOM 0 HD2 LYS A 72 18.347 13.369 -2.308 1.00 1.22 H new ATOM 0 HD3 LYS A 72 18.681 12.868 -3.954 1.00 1.22 H new ATOM 0 HE2 LYS A 72 17.879 15.384 -4.503 1.00 2.26 H new ATOM 0 HE3 LYS A 72 18.368 15.654 -2.841 1.00 2.26 H new ATOM 0 HZ1 LYS A 72 20.011 15.646 -4.992 1.00 3.00 H new ATOM 0 HZ2 LYS A 72 20.505 15.494 -3.374 1.00 3.00 H new ATOM 0 HZ3 LYS A 72 20.279 14.107 -4.327 1.00 3.00 H new ATOM 1130 N GLY A 73 12.363 12.629 -1.426 1.00 1.02 N ATOM 1131 CA GLY A 73 11.225 12.553 -0.495 1.00 1.11 C ATOM 1132 C GLY A 73 10.763 11.120 -0.199 1.00 1.02 C ATOM 1133 O GLY A 73 11.260 10.161 -0.791 1.00 0.96 O ATOM 0 H GLY A 73 12.249 11.984 -2.208 1.00 1.02 H new ATOM 0 HA2 GLY A 73 11.501 13.037 0.442 1.00 1.11 H new ATOM 0 HA3 GLY A 73 10.389 13.116 -0.910 1.00 1.11 H new ATOM 1137 N ARG A 74 9.791 10.964 0.711 1.00 1.15 N ATOM 1138 CA ARG A 74 9.250 9.652 1.096 1.00 1.08 C ATOM 1139 C ARG A 74 8.240 9.115 0.077 1.00 1.85 C ATOM 1140 O ARG A 74 7.507 9.886 -0.534 1.00 2.74 O ATOM 1141 CB ARG A 74 8.493 9.684 2.422 1.00 1.92 C ATOM 1142 CG ARG A 74 9.182 10.170 3.701 1.00 1.58 C ATOM 1143 CD ARG A 74 8.244 9.776 4.821 1.00 2.34 C ATOM 1144 NE ARG A 74 8.538 10.370 6.125 1.00 2.87 N ATOM 1145 CZ ARG A 74 7.632 10.544 7.080 1.00 3.92 C ATOM 1146 NH1 ARG A 74 6.346 10.298 6.912 1.00 4.94 N ATOM 1147 NH2 ARG A 74 8.020 10.960 8.262 1.00 4.61 N ATOM 0 H ARG A 74 9.357 11.746 1.202 1.00 1.15 H new ATOM 0 HA ARG A 74 10.135 9.019 1.162 1.00 1.08 H new ATOM 0 HB2 ARG A 74 7.612 10.309 2.274 1.00 1.92 H new ATOM 0 HB3 ARG A 74 8.137 8.672 2.613 1.00 1.92 H new ATOM 0 HG2 ARG A 74 10.161 9.706 3.823 1.00 1.58 H new ATOM 0 HG3 ARG A 74 9.341 11.248 3.679 1.00 1.58 H new ATOM 0 HD2 ARG A 74 7.229 10.052 4.536 1.00 2.34 H new ATOM 0 HD3 ARG A 74 8.263 8.691 4.923 1.00 2.34 H new ATOM 0 HE ARG A 74 9.495 10.668 6.312 1.00 2.87 H new ATOM 0 HH11 ARG A 74 6.005 9.956 6.013 1.00 4.94 H new ATOM 0 HH12 ARG A 74 5.693 10.449 7.681 1.00 4.94 H new ATOM 0 HH21 ARG A 74 9.007 11.146 8.439 1.00 4.61 H new ATOM 0 HH22 ARG A 74 7.334 11.098 9.005 1.00 4.61 H new ATOM 1161 N VAL A 75 8.102 7.792 0.023 1.00 2.02 N ATOM 1162 CA VAL A 75 7.181 7.027 -0.831 1.00 3.17 C ATOM 1163 C VAL A 75 6.461 6.005 0.073 1.00 2.57 C ATOM 1164 O VAL A 75 6.710 4.804 0.008 1.00 2.54 O ATOM 1165 CB VAL A 75 7.965 6.339 -1.980 1.00 4.52 C ATOM 1166 CG1 VAL A 75 7.051 5.582 -2.960 1.00 5.76 C ATOM 1167 CG2 VAL A 75 8.820 7.307 -2.817 1.00 5.18 C ATOM 0 H VAL A 75 8.666 7.180 0.612 1.00 2.02 H new ATOM 0 HA VAL A 75 6.444 7.676 -1.304 1.00 3.17 H new ATOM 0 HB VAL A 75 8.617 5.643 -1.452 1.00 4.52 H new ATOM 0 HG11 VAL A 75 7.657 5.122 -3.741 1.00 5.76 H new ATOM 0 HG12 VAL A 75 6.503 4.808 -2.423 1.00 5.76 H new ATOM 0 HG13 VAL A 75 6.345 6.279 -3.411 1.00 5.76 H new ATOM 0 HG21 VAL A 75 9.337 6.752 -3.600 1.00 5.18 H new ATOM 0 HG22 VAL A 75 8.177 8.061 -3.271 1.00 5.18 H new ATOM 0 HG23 VAL A 75 9.552 7.795 -2.174 1.00 5.18 H new ATOM 1177 N GLU A 76 5.622 6.489 0.997 1.00 2.24 N ATOM 1178 CA GLU A 76 4.991 5.665 2.032 1.00 1.64 C ATOM 1179 C GLU A 76 3.469 5.808 2.087 1.00 1.25 C ATOM 1180 O GLU A 76 2.915 6.905 1.965 1.00 1.48 O ATOM 1181 CB GLU A 76 5.676 5.843 3.385 1.00 1.98 C ATOM 1182 CG GLU A 76 6.004 7.247 3.893 1.00 1.92 C ATOM 1183 CD GLU A 76 4.930 7.980 4.688 1.00 1.92 C ATOM 1184 OE1 GLU A 76 3.973 7.366 5.200 1.00 2.76 O ATOM 1185 OE2 GLU A 76 4.987 9.231 4.712 1.00 2.65 O ATOM 0 H GLU A 76 5.360 7.474 1.047 1.00 2.24 H new ATOM 0 HA GLU A 76 5.147 4.626 1.742 1.00 1.64 H new ATOM 0 HB2 GLU A 76 5.044 5.366 4.134 1.00 1.98 H new ATOM 0 HB3 GLU A 76 6.610 5.283 3.352 1.00 1.98 H new ATOM 0 HG2 GLU A 76 6.895 7.179 4.517 1.00 1.92 H new ATOM 0 HG3 GLU A 76 6.264 7.863 3.032 1.00 1.92 H new ATOM 1192 N LEU A 77 2.806 4.662 2.254 1.00 0.89 N ATOM 1193 CA LEU A 77 1.368 4.451 2.151 1.00 0.78 C ATOM 1194 C LEU A 77 0.766 4.255 3.551 1.00 1.15 C ATOM 1195 O LEU A 77 0.373 3.167 3.975 1.00 2.12 O ATOM 1196 CB LEU A 77 1.104 3.296 1.163 1.00 0.66 C ATOM 1197 CG LEU A 77 1.219 3.727 -0.322 1.00 0.73 C ATOM 1198 CD1 LEU A 77 2.635 3.582 -0.900 1.00 0.70 C ATOM 1199 CD2 LEU A 77 0.260 2.899 -1.187 1.00 1.16 C ATOM 0 H LEU A 77 3.299 3.798 2.481 1.00 0.89 H new ATOM 0 HA LEU A 77 0.861 5.325 1.743 1.00 0.78 H new ATOM 0 HB2 LEU A 77 1.812 2.491 1.357 1.00 0.66 H new ATOM 0 HB3 LEU A 77 0.107 2.893 1.342 1.00 0.66 H new ATOM 0 HG LEU A 77 0.961 4.786 -0.342 1.00 0.73 H new ATOM 0 HD11 LEU A 77 2.637 3.902 -1.942 1.00 0.70 H new ATOM 0 HD12 LEU A 77 3.326 4.201 -0.329 1.00 0.70 H new ATOM 0 HD13 LEU A 77 2.947 2.539 -0.840 1.00 0.70 H new ATOM 0 HD21 LEU A 77 0.349 3.210 -2.228 1.00 1.16 H new ATOM 0 HD22 LEU A 77 0.513 1.842 -1.101 1.00 1.16 H new ATOM 0 HD23 LEU A 77 -0.764 3.056 -0.848 1.00 1.16 H new ATOM 1211 N LYS A 78 0.727 5.372 4.278 1.00 1.10 N ATOM 1212 CA LYS A 78 0.155 5.500 5.618 1.00 1.17 C ATOM 1213 C LYS A 78 -1.283 4.921 5.741 1.00 0.92 C ATOM 1214 O LYS A 78 -2.124 5.187 4.874 1.00 0.99 O ATOM 1215 CB LYS A 78 0.239 6.977 6.073 1.00 1.60 C ATOM 1216 CG LYS A 78 -0.667 8.008 5.357 1.00 1.34 C ATOM 1217 CD LYS A 78 -0.268 8.478 3.943 1.00 2.04 C ATOM 1218 CE LYS A 78 0.901 9.480 3.914 1.00 2.04 C ATOM 1219 NZ LYS A 78 2.235 8.837 3.842 1.00 3.05 N ATOM 0 H LYS A 78 1.111 6.252 3.933 1.00 1.10 H new ATOM 0 HA LYS A 78 0.751 4.886 6.293 1.00 1.17 H new ATOM 0 HB2 LYS A 78 0.009 7.012 7.138 1.00 1.60 H new ATOM 0 HB3 LYS A 78 1.273 7.304 5.959 1.00 1.60 H new ATOM 0 HG2 LYS A 78 -1.669 7.583 5.295 1.00 1.34 H new ATOM 0 HG3 LYS A 78 -0.734 8.890 5.994 1.00 1.34 H new ATOM 0 HD2 LYS A 78 0.001 7.607 3.346 1.00 2.04 H new ATOM 0 HD3 LYS A 78 -1.135 8.936 3.467 1.00 2.04 H new ATOM 0 HE2 LYS A 78 0.780 10.142 3.056 1.00 2.04 H new ATOM 0 HE3 LYS A 78 0.856 10.104 4.807 1.00 2.04 H new ATOM 0 HZ1 LYS A 78 2.957 9.557 3.639 1.00 3.05 H new ATOM 0 HZ2 LYS A 78 2.449 8.379 4.751 1.00 3.05 H new ATOM 0 HZ3 LYS A 78 2.236 8.123 3.086 1.00 3.05 H new ATOM 1233 N PRO A 79 -1.623 4.233 6.856 1.00 1.09 N ATOM 1234 CA PRO A 79 -2.915 3.565 7.043 1.00 1.27 C ATOM 1235 C PRO A 79 -4.120 4.510 7.147 1.00 1.15 C ATOM 1236 O PRO A 79 -5.250 4.066 6.960 1.00 1.99 O ATOM 1237 CB PRO A 79 -2.763 2.739 8.326 1.00 1.72 C ATOM 1238 CG PRO A 79 -1.738 3.531 9.126 1.00 1.72 C ATOM 1239 CD PRO A 79 -0.785 4.008 8.031 1.00 1.47 C ATOM 0 HA PRO A 79 -3.136 2.962 6.163 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -3.708 2.647 8.861 1.00 1.72 H new ATOM 0 HB3 PRO A 79 -2.416 1.727 8.116 1.00 1.72 H new ATOM 0 HG2 PRO A 79 -2.193 4.363 9.663 1.00 1.72 H new ATOM 0 HG3 PRO A 79 -1.232 2.913 9.867 1.00 1.72 H new ATOM 0 HD2 PRO A 79 -0.272 4.923 8.328 1.00 1.47 H new ATOM 0 HD3 PRO A 79 -0.016 3.263 7.828 1.00 1.47 H new ATOM 1247 N GLY A 80 -3.899 5.802 7.427 1.00 1.03 N ATOM 1248 CA GLY A 80 -4.955 6.821 7.452 1.00 1.26 C ATOM 1249 C GLY A 80 -5.293 7.417 6.082 1.00 1.18 C ATOM 1250 O GLY A 80 -5.992 8.424 6.047 1.00 1.86 O ATOM 0 H GLY A 80 -2.973 6.171 7.644 1.00 1.03 H new ATOM 0 HA2 GLY A 80 -5.858 6.381 7.876 1.00 1.26 H new ATOM 0 HA3 GLY A 80 -4.650 7.627 8.120 1.00 1.26 H new ATOM 1254 N GLY A 81 -4.784 6.850 4.976 1.00 0.80 N ATOM 1255 CA GLY A 81 -5.036 7.340 3.610 1.00 0.72 C ATOM 1256 C GLY A 81 -4.719 6.330 2.510 1.00 0.73 C ATOM 1257 O GLY A 81 -5.423 5.334 2.340 1.00 1.43 O ATOM 0 H GLY A 81 -4.179 6.029 5.005 1.00 0.80 H new ATOM 0 HA2 GLY A 81 -6.083 7.631 3.529 1.00 0.72 H new ATOM 0 HA3 GLY A 81 -4.442 8.239 3.444 1.00 0.72 H new ATOM 1261 N TYR A 82 -3.676 6.599 1.722 1.00 0.81 N ATOM 1262 CA TYR A 82 -3.334 5.770 0.559 1.00 0.80 C ATOM 1263 C TYR A 82 -2.707 4.442 0.960 1.00 0.87 C ATOM 1264 O TYR A 82 -1.838 4.387 1.820 1.00 1.08 O ATOM 1265 CB TYR A 82 -2.338 6.482 -0.355 1.00 0.85 C ATOM 1266 CG TYR A 82 -2.889 7.711 -1.036 1.00 0.82 C ATOM 1267 CD1 TYR A 82 -3.840 7.543 -2.051 1.00 1.72 C ATOM 1268 CD2 TYR A 82 -2.446 8.998 -0.684 1.00 1.88 C ATOM 1269 CE1 TYR A 82 -4.332 8.656 -2.746 1.00 1.77 C ATOM 1270 CE2 TYR A 82 -2.953 10.123 -1.363 1.00 1.86 C ATOM 1271 CZ TYR A 82 -3.898 9.955 -2.405 1.00 0.85 C ATOM 1272 OH TYR A 82 -4.391 11.030 -3.077 1.00 0.91 O ATOM 0 H TYR A 82 -3.048 7.390 1.868 1.00 0.81 H new ATOM 0 HA TYR A 82 -4.276 5.591 0.041 1.00 0.80 H new ATOM 0 HB2 TYR A 82 -1.464 6.767 0.231 1.00 0.85 H new ATOM 0 HB3 TYR A 82 -1.996 5.781 -1.117 1.00 0.85 H new ATOM 0 HD1 TYR A 82 -4.195 6.553 -2.298 1.00 1.72 H new ATOM 0 HD2 TYR A 82 -1.719 9.124 0.105 1.00 1.88 H new ATOM 0 HE1 TYR A 82 -5.046 8.519 -3.545 1.00 1.77 H new ATOM 0 HE2 TYR A 82 -2.621 11.114 -1.089 1.00 1.86 H new ATOM 0 HH TYR A 82 -3.992 11.850 -2.720 1.00 0.91 H new ATOM 1282 N HIS A 83 -3.155 3.379 0.304 1.00 0.75 N ATOM 1283 CA HIS A 83 -2.745 1.995 0.572 1.00 0.75 C ATOM 1284 C HIS A 83 -3.050 1.072 -0.612 1.00 0.62 C ATOM 1285 O HIS A 83 -3.878 1.416 -1.450 1.00 0.72 O ATOM 1286 CB HIS A 83 -3.403 1.493 1.860 1.00 0.86 C ATOM 1287 CG HIS A 83 -4.899 1.381 1.789 1.00 0.79 C ATOM 1288 ND1 HIS A 83 -5.781 2.427 1.931 1.00 0.77 N ATOM 1289 CD2 HIS A 83 -5.626 0.255 1.499 1.00 0.77 C ATOM 1290 CE1 HIS A 83 -7.014 1.957 1.687 1.00 0.74 C ATOM 1291 NE2 HIS A 83 -6.965 0.640 1.435 1.00 0.77 N ATOM 0 H HIS A 83 -3.834 3.452 -0.453 1.00 0.75 H new ATOM 0 HA HIS A 83 -1.664 1.980 0.708 1.00 0.75 H new ATOM 0 HB2 HIS A 83 -2.989 0.516 2.108 1.00 0.86 H new ATOM 0 HB3 HIS A 83 -3.139 2.167 2.675 1.00 0.86 H new ATOM 0 HD1 HIS A 83 -5.541 3.387 2.177 1.00 0.77 H new ATOM 0 HD2 HIS A 83 -5.236 -0.741 1.349 1.00 0.77 H new ATOM 0 HE1 HIS A 83 -7.915 2.552 1.693 1.00 0.74 H new ATOM 1299 N PHE A 84 -2.472 -0.129 -0.649 1.00 0.48 N ATOM 1300 CA PHE A 84 -2.921 -1.166 -1.582 1.00 0.53 C ATOM 1301 C PHE A 84 -3.970 -2.079 -0.932 1.00 0.56 C ATOM 1302 O PHE A 84 -3.821 -2.458 0.228 1.00 0.67 O ATOM 1303 CB PHE A 84 -1.729 -1.987 -2.078 1.00 0.59 C ATOM 1304 CG PHE A 84 -0.790 -1.185 -2.950 1.00 0.60 C ATOM 1305 CD1 PHE A 84 -1.080 -0.998 -4.311 1.00 2.14 C ATOM 1306 CD2 PHE A 84 0.340 -0.568 -2.380 1.00 1.81 C ATOM 1307 CE1 PHE A 84 -0.236 -0.209 -5.108 1.00 2.14 C ATOM 1308 CE2 PHE A 84 1.165 0.245 -3.170 1.00 1.86 C ATOM 1309 CZ PHE A 84 0.874 0.423 -4.530 1.00 0.74 C ATOM 0 H PHE A 84 -1.696 -0.408 -0.048 1.00 0.48 H new ATOM 0 HA PHE A 84 -3.388 -0.674 -2.436 1.00 0.53 H new ATOM 0 HB2 PHE A 84 -1.179 -2.376 -1.221 1.00 0.59 H new ATOM 0 HB3 PHE A 84 -2.094 -2.847 -2.639 1.00 0.59 H new ATOM 0 HD1 PHE A 84 -1.953 -1.462 -4.745 1.00 2.14 H new ATOM 0 HD2 PHE A 84 0.571 -0.721 -1.336 1.00 1.81 H new ATOM 0 HE1 PHE A 84 -0.441 -0.089 -6.162 1.00 2.14 H new ATOM 0 HE2 PHE A 84 2.023 0.733 -2.732 1.00 1.86 H new ATOM 0 HZ PHE A 84 1.509 1.051 -5.137 1.00 0.74 H new ATOM 1319 N MET A 85 -4.996 -2.478 -1.684 1.00 0.51 N ATOM 1320 CA MET A 85 -5.901 -3.593 -1.383 1.00 0.48 C ATOM 1321 C MET A 85 -5.394 -4.865 -2.076 1.00 0.49 C ATOM 1322 O MET A 85 -4.990 -4.822 -3.236 1.00 0.52 O ATOM 1323 CB MET A 85 -7.322 -3.267 -1.845 1.00 0.54 C ATOM 1324 CG MET A 85 -8.349 -3.806 -0.836 1.00 0.68 C ATOM 1325 SD MET A 85 -8.425 -2.886 0.743 1.00 0.86 S ATOM 1326 CE MET A 85 -9.500 -4.008 1.689 1.00 0.79 C ATOM 0 H MET A 85 -5.232 -2.013 -2.561 1.00 0.51 H new ATOM 0 HA MET A 85 -5.921 -3.755 -0.305 1.00 0.48 H new ATOM 0 HB2 MET A 85 -7.438 -2.188 -1.951 1.00 0.54 H new ATOM 0 HB3 MET A 85 -7.502 -3.705 -2.827 1.00 0.54 H new ATOM 0 HG2 MET A 85 -9.336 -3.789 -1.299 1.00 0.68 H new ATOM 0 HG3 MET A 85 -8.115 -4.849 -0.622 1.00 0.68 H new ATOM 0 HE1 MET A 85 -9.658 -3.604 2.689 1.00 0.79 H new ATOM 0 HE2 MET A 85 -10.460 -4.106 1.182 1.00 0.79 H new ATOM 0 HE3 MET A 85 -9.027 -4.987 1.764 1.00 0.79 H new ATOM 1336 N LEU A 86 -5.400 -5.991 -1.367 1.00 0.61 N ATOM 1337 CA LEU A 86 -4.907 -7.296 -1.822 1.00 0.66 C ATOM 1338 C LEU A 86 -6.090 -8.265 -1.913 1.00 0.73 C ATOM 1339 O LEU A 86 -6.911 -8.313 -1.000 1.00 1.05 O ATOM 1340 CB LEU A 86 -3.877 -7.829 -0.806 1.00 0.69 C ATOM 1341 CG LEU A 86 -2.423 -7.335 -0.941 1.00 0.68 C ATOM 1342 CD1 LEU A 86 -2.263 -5.817 -0.779 1.00 1.09 C ATOM 1343 CD2 LEU A 86 -1.572 -8.029 0.137 1.00 1.23 C ATOM 0 H LEU A 86 -5.765 -6.024 -0.415 1.00 0.61 H new ATOM 0 HA LEU A 86 -4.434 -7.201 -2.799 1.00 0.66 H new ATOM 0 HB2 LEU A 86 -4.228 -7.573 0.194 1.00 0.69 H new ATOM 0 HB3 LEU A 86 -3.870 -8.917 -0.873 1.00 0.69 H new ATOM 0 HG LEU A 86 -2.099 -7.581 -1.952 1.00 0.68 H new ATOM 0 HD11 LEU A 86 -1.212 -5.548 -0.887 1.00 1.09 H new ATOM 0 HD12 LEU A 86 -2.849 -5.306 -1.543 1.00 1.09 H new ATOM 0 HD13 LEU A 86 -2.614 -5.517 0.208 1.00 1.09 H new ATOM 0 HD21 LEU A 86 -0.538 -7.692 0.058 1.00 1.23 H new ATOM 0 HD22 LEU A 86 -1.960 -7.779 1.124 1.00 1.23 H new ATOM 0 HD23 LEU A 86 -1.613 -9.109 -0.006 1.00 1.23 H new ATOM 1355 N LEU A 87 -6.185 -9.051 -2.989 1.00 0.59 N ATOM 1356 CA LEU A 87 -7.299 -9.976 -3.228 1.00 0.59 C ATOM 1357 C LEU A 87 -6.794 -11.366 -3.625 1.00 0.57 C ATOM 1358 O LEU A 87 -5.871 -11.487 -4.428 1.00 0.67 O ATOM 1359 CB LEU A 87 -8.224 -9.429 -4.336 1.00 0.74 C ATOM 1360 CG LEU A 87 -8.917 -8.075 -4.053 1.00 0.80 C ATOM 1361 CD1 LEU A 87 -8.072 -6.860 -4.475 1.00 2.01 C ATOM 1362 CD2 LEU A 87 -10.243 -8.023 -4.823 1.00 2.10 C ATOM 0 H LEU A 87 -5.482 -9.064 -3.728 1.00 0.59 H new ATOM 0 HA LEU A 87 -7.859 -10.064 -2.297 1.00 0.59 H new ATOM 0 HB2 LEU A 87 -7.638 -9.328 -5.250 1.00 0.74 H new ATOM 0 HB3 LEU A 87 -8.996 -10.173 -4.533 1.00 0.74 H new ATOM 0 HG LEU A 87 -9.066 -8.017 -2.975 1.00 0.80 H new ATOM 0 HD11 LEU A 87 -8.616 -5.943 -4.249 1.00 2.01 H new ATOM 0 HD12 LEU A 87 -7.128 -6.866 -3.930 1.00 2.01 H new ATOM 0 HD13 LEU A 87 -7.873 -6.909 -5.546 1.00 2.01 H new ATOM 0 HD21 LEU A 87 -10.739 -7.072 -4.630 1.00 2.10 H new ATOM 0 HD22 LEU A 87 -10.048 -8.120 -5.891 1.00 2.10 H new ATOM 0 HD23 LEU A 87 -10.886 -8.840 -4.496 1.00 2.10 H new ATOM 1374 N GLY A 88 -7.414 -12.423 -3.089 1.00 0.56 N ATOM 1375 CA GLY A 88 -7.109 -13.820 -3.436 1.00 0.61 C ATOM 1376 C GLY A 88 -5.816 -14.320 -2.795 1.00 0.74 C ATOM 1377 O GLY A 88 -4.924 -14.785 -3.499 1.00 1.61 O ATOM 0 H GLY A 88 -8.153 -12.333 -2.392 1.00 0.56 H new ATOM 0 HA2 GLY A 88 -7.935 -14.457 -3.120 1.00 0.61 H new ATOM 0 HA3 GLY A 88 -7.031 -13.912 -4.519 1.00 0.61 H new ATOM 1381 N LEU A 89 -5.670 -14.148 -1.479 1.00 0.56 N ATOM 1382 CA LEU A 89 -4.473 -14.525 -0.728 1.00 0.48 C ATOM 1383 C LEU A 89 -4.010 -15.971 -0.903 1.00 0.56 C ATOM 1384 O LEU A 89 -4.786 -16.896 -1.121 1.00 0.82 O ATOM 1385 CB LEU A 89 -4.579 -14.257 0.778 1.00 0.48 C ATOM 1386 CG LEU A 89 -5.260 -12.968 1.277 1.00 0.52 C ATOM 1387 CD1 LEU A 89 -4.975 -12.870 2.779 1.00 0.62 C ATOM 1388 CD2 LEU A 89 -4.797 -11.679 0.576 1.00 0.54 C ATOM 0 H LEU A 89 -6.396 -13.734 -0.895 1.00 0.56 H new ATOM 0 HA LEU A 89 -3.728 -13.870 -1.180 1.00 0.48 H new ATOM 0 HB2 LEU A 89 -5.110 -15.099 1.222 1.00 0.48 H new ATOM 0 HB3 LEU A 89 -3.567 -14.269 1.183 1.00 0.48 H new ATOM 0 HG LEU A 89 -6.323 -13.043 1.047 1.00 0.52 H new ATOM 0 HD11 LEU A 89 -5.439 -11.969 3.179 1.00 0.62 H new ATOM 0 HD12 LEU A 89 -5.384 -13.744 3.285 1.00 0.62 H new ATOM 0 HD13 LEU A 89 -3.898 -12.827 2.943 1.00 0.62 H new ATOM 0 HD21 LEU A 89 -5.331 -10.826 0.994 1.00 0.54 H new ATOM 0 HD22 LEU A 89 -3.726 -11.547 0.728 1.00 0.54 H new ATOM 0 HD23 LEU A 89 -5.005 -11.750 -0.491 1.00 0.54 H new ATOM 1400 N LYS A 90 -2.707 -16.154 -0.703 1.00 0.48 N ATOM 1401 CA LYS A 90 -2.053 -17.468 -0.834 1.00 0.56 C ATOM 1402 C LYS A 90 -1.728 -18.168 0.500 1.00 0.67 C ATOM 1403 O LYS A 90 -1.454 -19.374 0.570 1.00 0.75 O ATOM 1404 CB LYS A 90 -0.800 -17.314 -1.677 1.00 0.58 C ATOM 1405 CG LYS A 90 -0.978 -16.625 -3.051 1.00 0.60 C ATOM 1406 CD LYS A 90 -2.079 -17.234 -3.924 1.00 1.04 C ATOM 1407 CE LYS A 90 -2.012 -16.656 -5.344 1.00 1.02 C ATOM 1408 NZ LYS A 90 -2.794 -17.443 -6.328 1.00 1.57 N ATOM 0 H LYS A 90 -2.069 -15.401 -0.446 1.00 0.48 H new ATOM 0 HA LYS A 90 -2.775 -18.124 -1.320 1.00 0.56 H new ATOM 0 HB2 LYS A 90 -0.068 -16.746 -1.102 1.00 0.58 H new ATOM 0 HB3 LYS A 90 -0.376 -18.304 -1.843 1.00 0.58 H new ATOM 0 HG2 LYS A 90 -1.201 -15.570 -2.889 1.00 0.60 H new ATOM 0 HG3 LYS A 90 -0.033 -16.672 -3.593 1.00 0.60 H new ATOM 0 HD2 LYS A 90 -1.967 -18.318 -3.959 1.00 1.04 H new ATOM 0 HD3 LYS A 90 -3.056 -17.028 -3.486 1.00 1.04 H new ATOM 0 HE2 LYS A 90 -2.382 -15.631 -5.331 1.00 1.02 H new ATOM 0 HE3 LYS A 90 -0.971 -16.615 -5.665 1.00 1.02 H new ATOM 0 HZ1 LYS A 90 -2.578 -17.110 -7.289 1.00 1.57 H new ATOM 0 HZ2 LYS A 90 -2.544 -18.449 -6.246 1.00 1.57 H new ATOM 0 HZ3 LYS A 90 -3.810 -17.323 -6.140 1.00 1.57 H new ATOM 1422 N ARG A 91 -1.764 -17.378 1.565 1.00 0.80 N ATOM 1423 CA ARG A 91 -1.785 -17.760 2.970 1.00 0.99 C ATOM 1424 C ARG A 91 -2.798 -16.887 3.740 1.00 0.93 C ATOM 1425 O ARG A 91 -2.871 -15.696 3.432 1.00 0.83 O ATOM 1426 CB ARG A 91 -0.390 -17.499 3.558 1.00 1.18 C ATOM 1427 CG ARG A 91 0.689 -18.492 3.105 1.00 1.74 C ATOM 1428 CD ARG A 91 0.423 -19.905 3.638 1.00 3.05 C ATOM 1429 NE ARG A 91 1.464 -20.859 3.210 1.00 4.07 N ATOM 1430 CZ ARG A 91 1.433 -21.638 2.132 1.00 5.34 C ATOM 1431 NH1 ARG A 91 0.488 -21.546 1.218 1.00 5.86 N ATOM 1432 NH2 ARG A 91 2.380 -22.537 1.960 1.00 6.60 N ATOM 0 H ARG A 91 -1.781 -16.364 1.457 1.00 0.80 H new ATOM 0 HA ARG A 91 -2.065 -18.810 3.057 1.00 0.99 H new ATOM 0 HB2 ARG A 91 -0.077 -16.492 3.283 1.00 1.18 H new ATOM 0 HB3 ARG A 91 -0.457 -17.527 4.646 1.00 1.18 H new ATOM 0 HG2 ARG A 91 0.727 -18.516 2.016 1.00 1.74 H new ATOM 0 HG3 ARG A 91 1.665 -18.151 3.451 1.00 1.74 H new ATOM 0 HD2 ARG A 91 0.379 -19.880 4.727 1.00 3.05 H new ATOM 0 HD3 ARG A 91 -0.550 -20.248 3.287 1.00 3.05 H new ATOM 0 HE ARG A 91 2.292 -20.928 3.801 1.00 4.07 H new ATOM 0 HH11 ARG A 91 -0.257 -20.858 1.323 1.00 5.86 H new ATOM 0 HH12 ARG A 91 0.502 -22.163 0.406 1.00 5.86 H new ATOM 0 HH21 ARG A 91 3.126 -22.630 2.649 1.00 6.60 H new ATOM 0 HH22 ARG A 91 2.367 -23.140 1.138 1.00 6.60 H new ATOM 1446 N PRO A 92 -3.493 -17.418 4.764 1.00 1.08 N ATOM 1447 CA PRO A 92 -3.905 -16.596 5.891 1.00 1.07 C ATOM 1448 C PRO A 92 -2.623 -16.145 6.597 1.00 1.07 C ATOM 1449 O PRO A 92 -1.787 -16.985 6.930 1.00 1.41 O ATOM 1450 CB PRO A 92 -4.773 -17.507 6.766 1.00 1.30 C ATOM 1451 CG PRO A 92 -4.215 -18.905 6.504 1.00 1.40 C ATOM 1452 CD PRO A 92 -3.691 -18.831 5.066 1.00 1.32 C ATOM 0 HA PRO A 92 -4.475 -15.706 5.626 1.00 1.07 H new ATOM 0 HB2 PRO A 92 -4.699 -17.238 7.820 1.00 1.30 H new ATOM 0 HB3 PRO A 92 -5.826 -17.439 6.493 1.00 1.30 H new ATOM 0 HG2 PRO A 92 -3.420 -19.156 7.206 1.00 1.40 H new ATOM 0 HG3 PRO A 92 -4.986 -19.669 6.609 1.00 1.40 H new ATOM 0 HD2 PRO A 92 -2.756 -19.383 4.966 1.00 1.32 H new ATOM 0 HD3 PRO A 92 -4.402 -19.279 4.372 1.00 1.32 H new ATOM 1460 N LEU A 93 -2.441 -14.833 6.775 1.00 1.03 N ATOM 1461 CA LEU A 93 -1.215 -14.255 7.335 1.00 1.15 C ATOM 1462 C LEU A 93 -1.506 -13.762 8.757 1.00 1.14 C ATOM 1463 O LEU A 93 -2.162 -12.747 8.974 1.00 1.74 O ATOM 1464 CB LEU A 93 -0.583 -13.232 6.351 1.00 1.64 C ATOM 1465 CG LEU A 93 -1.489 -12.377 5.423 1.00 1.18 C ATOM 1466 CD1 LEU A 93 -2.052 -11.122 6.101 1.00 2.40 C ATOM 1467 CD2 LEU A 93 -0.692 -11.923 4.192 1.00 1.66 C ATOM 0 H LEU A 93 -3.146 -14.137 6.533 1.00 1.03 H new ATOM 0 HA LEU A 93 -0.427 -15.000 7.446 1.00 1.15 H new ATOM 0 HB2 LEU A 93 0.016 -12.541 6.944 1.00 1.64 H new ATOM 0 HB3 LEU A 93 0.106 -13.783 5.711 1.00 1.64 H new ATOM 0 HG LEU A 93 -2.327 -13.019 5.152 1.00 1.18 H new ATOM 0 HD11 LEU A 93 -2.675 -10.575 5.393 1.00 2.40 H new ATOM 0 HD12 LEU A 93 -2.652 -11.412 6.963 1.00 2.40 H new ATOM 0 HD13 LEU A 93 -1.230 -10.486 6.429 1.00 2.40 H new ATOM 0 HD21 LEU A 93 -1.332 -11.324 3.545 1.00 1.66 H new ATOM 0 HD22 LEU A 93 0.162 -11.326 4.511 1.00 1.66 H new ATOM 0 HD23 LEU A 93 -0.339 -12.797 3.645 1.00 1.66 H new ATOM 1479 N LYS A 94 -1.091 -14.529 9.772 1.00 1.26 N ATOM 1480 CA LYS A 94 -1.769 -14.523 11.089 1.00 1.61 C ATOM 1481 C LYS A 94 -1.336 -13.447 12.099 1.00 1.86 C ATOM 1482 O LYS A 94 -1.658 -13.515 13.282 1.00 3.75 O ATOM 1483 CB LYS A 94 -1.818 -15.953 11.674 1.00 2.13 C ATOM 1484 CG LYS A 94 -0.472 -16.677 11.869 1.00 1.71 C ATOM 1485 CD LYS A 94 0.612 -15.827 12.540 1.00 2.38 C ATOM 1486 CE LYS A 94 1.922 -16.586 12.761 1.00 3.55 C ATOM 1487 NZ LYS A 94 3.040 -15.635 12.978 1.00 4.83 N ATOM 0 H LYS A 94 -0.293 -15.162 9.715 1.00 1.26 H new ATOM 0 HA LYS A 94 -2.786 -14.193 10.879 1.00 1.61 H new ATOM 0 HB2 LYS A 94 -2.320 -15.906 12.640 1.00 2.13 H new ATOM 0 HB3 LYS A 94 -2.440 -16.565 11.021 1.00 2.13 H new ATOM 0 HG2 LYS A 94 -0.638 -17.572 12.469 1.00 1.71 H new ATOM 0 HG3 LYS A 94 -0.107 -17.008 10.897 1.00 1.71 H new ATOM 0 HD2 LYS A 94 0.808 -14.948 11.925 1.00 2.38 H new ATOM 0 HD3 LYS A 94 0.241 -15.468 13.500 1.00 2.38 H new ATOM 0 HE2 LYS A 94 1.826 -17.247 13.622 1.00 3.55 H new ATOM 0 HE3 LYS A 94 2.135 -17.216 11.898 1.00 3.55 H new ATOM 0 HZ1 LYS A 94 3.628 -15.966 13.769 1.00 4.83 H new ATOM 0 HZ2 LYS A 94 3.619 -15.578 12.116 1.00 4.83 H new ATOM 0 HZ3 LYS A 94 2.657 -14.694 13.201 1.00 4.83 H new ATOM 1501 N ALA A 95 -0.608 -12.474 11.572 1.00 1.43 N ATOM 1502 CA ALA A 95 0.118 -11.380 12.240 1.00 1.41 C ATOM 1503 C ALA A 95 1.417 -11.862 12.920 1.00 1.19 C ATOM 1504 O ALA A 95 1.554 -13.027 13.310 1.00 1.29 O ATOM 1505 CB ALA A 95 -0.778 -10.601 13.217 1.00 1.69 C ATOM 0 H ALA A 95 -0.493 -12.417 10.560 1.00 1.43 H new ATOM 0 HA ALA A 95 0.414 -10.687 11.453 1.00 1.41 H new ATOM 0 HB1 ALA A 95 -0.199 -9.805 13.685 1.00 1.69 H new ATOM 0 HB2 ALA A 95 -1.618 -10.168 12.674 1.00 1.69 H new ATOM 0 HB3 ALA A 95 -1.153 -11.277 13.985 1.00 1.69 H new ATOM 1511 N GLY A 96 2.406 -10.968 13.016 1.00 1.11 N ATOM 1512 CA GLY A 96 3.777 -11.371 13.352 1.00 1.18 C ATOM 1513 C GLY A 96 4.338 -12.316 12.286 1.00 1.15 C ATOM 1514 O GLY A 96 4.945 -13.326 12.634 1.00 1.53 O ATOM 0 H GLY A 96 2.285 -9.966 12.867 1.00 1.11 H new ATOM 0 HA2 GLY A 96 4.411 -10.488 13.433 1.00 1.18 H new ATOM 0 HA3 GLY A 96 3.789 -11.863 14.325 1.00 1.18 H new ATOM 1518 N GLU A 97 4.034 -12.020 11.020 1.00 1.05 N ATOM 1519 CA GLU A 97 4.634 -12.623 9.828 1.00 1.03 C ATOM 1520 C GLU A 97 5.533 -11.562 9.175 1.00 0.89 C ATOM 1521 O GLU A 97 5.434 -10.376 9.505 1.00 0.86 O ATOM 1522 CB GLU A 97 3.569 -13.036 8.786 1.00 1.10 C ATOM 1523 CG GLU A 97 2.278 -13.679 9.295 1.00 1.65 C ATOM 1524 CD GLU A 97 2.417 -15.150 9.665 1.00 1.45 C ATOM 1525 OE1 GLU A 97 3.406 -15.509 10.338 1.00 2.48 O ATOM 1526 OE2 GLU A 97 1.448 -15.889 9.393 1.00 2.14 O ATOM 0 H GLU A 97 3.329 -11.320 10.788 1.00 1.05 H new ATOM 0 HA GLU A 97 5.182 -13.515 10.132 1.00 1.03 H new ATOM 0 HB2 GLU A 97 3.297 -12.147 8.216 1.00 1.10 H new ATOM 0 HB3 GLU A 97 4.036 -13.732 8.089 1.00 1.10 H new ATOM 0 HG2 GLU A 97 1.930 -13.127 10.169 1.00 1.65 H new ATOM 0 HG3 GLU A 97 1.509 -13.580 8.529 1.00 1.65 H new ATOM 1533 N GLU A 98 6.311 -11.969 8.174 1.00 0.93 N ATOM 1534 CA GLU A 98 7.162 -11.135 7.340 1.00 0.92 C ATOM 1535 C GLU A 98 7.082 -11.698 5.918 1.00 1.05 C ATOM 1536 O GLU A 98 7.130 -12.907 5.700 1.00 1.30 O ATOM 1537 CB GLU A 98 8.599 -11.029 7.888 1.00 1.10 C ATOM 1538 CG GLU A 98 9.370 -12.355 7.977 1.00 2.21 C ATOM 1539 CD GLU A 98 10.753 -12.160 8.601 1.00 2.64 C ATOM 1540 OE1 GLU A 98 11.531 -11.362 8.030 1.00 2.88 O ATOM 1541 OE2 GLU A 98 11.020 -12.819 9.632 1.00 3.78 O ATOM 0 H GLU A 98 6.364 -12.953 7.910 1.00 0.93 H new ATOM 0 HA GLU A 98 6.813 -10.102 7.340 1.00 0.92 H new ATOM 0 HB2 GLU A 98 9.162 -10.343 7.255 1.00 1.10 H new ATOM 0 HB3 GLU A 98 8.559 -10.584 8.882 1.00 1.10 H new ATOM 0 HG2 GLU A 98 8.800 -13.069 8.571 1.00 2.21 H new ATOM 0 HG3 GLU A 98 9.477 -12.782 6.980 1.00 2.21 H new ATOM 1548 N VAL A 99 6.816 -10.803 4.975 1.00 0.91 N ATOM 1549 CA VAL A 99 6.340 -11.092 3.613 1.00 0.97 C ATOM 1550 C VAL A 99 6.775 -9.965 2.675 1.00 0.73 C ATOM 1551 O VAL A 99 6.749 -8.794 3.043 1.00 0.71 O ATOM 1552 CB VAL A 99 4.795 -11.234 3.553 1.00 1.22 C ATOM 1553 CG1 VAL A 99 4.363 -11.771 2.178 1.00 1.65 C ATOM 1554 CG2 VAL A 99 4.183 -12.162 4.625 1.00 1.37 C ATOM 0 H VAL A 99 6.930 -9.803 5.140 1.00 0.91 H new ATOM 0 HA VAL A 99 6.777 -12.042 3.304 1.00 0.97 H new ATOM 0 HB VAL A 99 4.422 -10.227 3.742 1.00 1.22 H new ATOM 0 HG11 VAL A 99 3.278 -11.866 2.149 1.00 1.65 H new ATOM 0 HG12 VAL A 99 4.688 -11.081 1.399 1.00 1.65 H new ATOM 0 HG13 VAL A 99 4.817 -12.747 2.010 1.00 1.65 H new ATOM 0 HG21 VAL A 99 3.101 -12.197 4.501 1.00 1.37 H new ATOM 0 HG22 VAL A 99 4.593 -13.166 4.514 1.00 1.37 H new ATOM 0 HG23 VAL A 99 4.423 -11.780 5.617 1.00 1.37 H new ATOM 1564 N GLU A 100 7.173 -10.308 1.450 1.00 0.73 N ATOM 1565 CA GLU A 100 7.651 -9.325 0.474 1.00 0.59 C ATOM 1566 C GLU A 100 6.545 -8.664 -0.365 1.00 0.52 C ATOM 1567 O GLU A 100 5.532 -9.272 -0.724 1.00 0.53 O ATOM 1568 CB GLU A 100 8.790 -9.890 -0.391 1.00 0.70 C ATOM 1569 CG GLU A 100 8.436 -11.188 -1.125 1.00 1.53 C ATOM 1570 CD GLU A 100 9.437 -11.499 -2.236 1.00 1.64 C ATOM 1571 OE1 GLU A 100 10.658 -11.315 -2.017 1.00 2.08 O ATOM 1572 OE2 GLU A 100 8.976 -11.858 -3.342 1.00 2.89 O ATOM 0 H GLU A 100 7.174 -11.268 1.106 1.00 0.73 H new ATOM 0 HA GLU A 100 8.060 -8.508 1.068 1.00 0.59 H new ATOM 0 HB2 GLU A 100 9.081 -9.138 -1.125 1.00 0.70 H new ATOM 0 HB3 GLU A 100 9.658 -10.069 0.243 1.00 0.70 H new ATOM 0 HG2 GLU A 100 8.413 -12.014 -0.414 1.00 1.53 H new ATOM 0 HG3 GLU A 100 7.435 -11.105 -1.549 1.00 1.53 H new ATOM 1579 N LEU A 101 6.797 -7.396 -0.714 1.00 0.55 N ATOM 1580 CA LEU A 101 6.104 -6.642 -1.755 1.00 0.51 C ATOM 1581 C LEU A 101 7.098 -6.161 -2.823 1.00 0.48 C ATOM 1582 O LEU A 101 8.236 -5.792 -2.521 1.00 0.62 O ATOM 1583 CB LEU A 101 5.349 -5.428 -1.166 1.00 0.59 C ATOM 1584 CG LEU A 101 3.836 -5.663 -0.965 1.00 0.81 C ATOM 1585 CD1 LEU A 101 3.539 -6.550 0.247 1.00 1.65 C ATOM 1586 CD2 LEU A 101 3.108 -4.326 -0.790 1.00 1.65 C ATOM 0 H LEU A 101 7.524 -6.847 -0.255 1.00 0.55 H new ATOM 0 HA LEU A 101 5.376 -7.311 -2.213 1.00 0.51 H new ATOM 0 HB2 LEU A 101 5.796 -5.167 -0.207 1.00 0.59 H new ATOM 0 HB3 LEU A 101 5.488 -4.572 -1.826 1.00 0.59 H new ATOM 0 HG LEU A 101 3.478 -6.176 -1.858 1.00 0.81 H new ATOM 0 HD11 LEU A 101 2.462 -6.684 0.344 1.00 1.65 H new ATOM 0 HD12 LEU A 101 4.015 -7.521 0.113 1.00 1.65 H new ATOM 0 HD13 LEU A 101 3.928 -6.077 1.148 1.00 1.65 H new ATOM 0 HD21 LEU A 101 2.042 -4.508 -0.649 1.00 1.65 H new ATOM 0 HD22 LEU A 101 3.506 -3.807 0.082 1.00 1.65 H new ATOM 0 HD23 LEU A 101 3.257 -3.712 -1.678 1.00 1.65 H new ATOM 1598 N ASP A 102 6.599 -6.116 -4.056 1.00 0.48 N ATOM 1599 CA ASP A 102 7.113 -5.374 -5.213 1.00 0.49 C ATOM 1600 C ASP A 102 6.362 -4.040 -5.300 1.00 0.59 C ATOM 1601 O ASP A 102 5.131 -4.019 -5.251 1.00 0.83 O ATOM 1602 CB ASP A 102 6.793 -6.165 -6.498 1.00 0.66 C ATOM 1603 CG ASP A 102 7.906 -7.013 -7.116 1.00 1.10 C ATOM 1604 OD1 ASP A 102 9.078 -6.592 -7.135 1.00 2.31 O ATOM 1605 OD2 ASP A 102 7.549 -8.078 -7.673 1.00 2.16 O ATOM 0 H ASP A 102 5.756 -6.639 -4.295 1.00 0.48 H new ATOM 0 HA ASP A 102 8.187 -5.222 -5.109 1.00 0.49 H new ATOM 0 HB2 ASP A 102 5.951 -6.824 -6.284 1.00 0.66 H new ATOM 0 HB3 ASP A 102 6.457 -5.454 -7.253 1.00 0.66 H new ATOM 1610 N LEU A 103 7.075 -2.937 -5.520 1.00 0.52 N ATOM 1611 CA LEU A 103 6.518 -1.652 -5.938 1.00 0.49 C ATOM 1612 C LEU A 103 6.748 -1.502 -7.446 1.00 0.46 C ATOM 1613 O LEU A 103 7.873 -1.688 -7.910 1.00 0.57 O ATOM 1614 CB LEU A 103 7.218 -0.493 -5.204 1.00 0.51 C ATOM 1615 CG LEU A 103 6.977 -0.359 -3.688 1.00 0.63 C ATOM 1616 CD1 LEU A 103 7.737 -1.391 -2.837 1.00 0.92 C ATOM 1617 CD2 LEU A 103 7.431 1.049 -3.281 1.00 0.91 C ATOM 0 H LEU A 103 8.089 -2.912 -5.409 1.00 0.52 H new ATOM 0 HA LEU A 103 5.455 -1.621 -5.699 1.00 0.49 H new ATOM 0 HB2 LEU A 103 8.291 -0.592 -5.366 1.00 0.51 H new ATOM 0 HB3 LEU A 103 6.909 0.439 -5.677 1.00 0.51 H new ATOM 0 HG LEU A 103 5.918 -0.538 -3.503 1.00 0.63 H new ATOM 0 HD11 LEU A 103 7.513 -1.229 -1.783 1.00 0.92 H new ATOM 0 HD12 LEU A 103 7.428 -2.397 -3.123 1.00 0.92 H new ATOM 0 HD13 LEU A 103 8.809 -1.280 -3.002 1.00 0.92 H new ATOM 0 HD21 LEU A 103 7.277 1.186 -2.211 1.00 0.91 H new ATOM 0 HD22 LEU A 103 8.489 1.172 -3.514 1.00 0.91 H new ATOM 0 HD23 LEU A 103 6.850 1.791 -3.829 1.00 0.91 H new ATOM 1629 N LEU A 104 5.704 -1.140 -8.207 1.00 0.40 N ATOM 1630 CA LEU A 104 5.760 -0.939 -9.654 1.00 0.40 C ATOM 1631 C LEU A 104 5.591 0.549 -9.986 1.00 0.42 C ATOM 1632 O LEU A 104 4.506 1.129 -9.876 1.00 0.43 O ATOM 1633 CB LEU A 104 4.676 -1.793 -10.336 1.00 0.40 C ATOM 1634 CG LEU A 104 4.726 -3.308 -10.037 1.00 0.48 C ATOM 1635 CD1 LEU A 104 3.557 -4.008 -10.746 1.00 0.66 C ATOM 1636 CD2 LEU A 104 6.050 -3.944 -10.477 1.00 0.57 C ATOM 0 H LEU A 104 4.775 -0.976 -7.818 1.00 0.40 H new ATOM 0 HA LEU A 104 6.733 -1.256 -10.031 1.00 0.40 H new ATOM 0 HB2 LEU A 104 3.699 -1.415 -10.035 1.00 0.40 H new ATOM 0 HB3 LEU A 104 4.754 -1.652 -11.414 1.00 0.40 H new ATOM 0 HG LEU A 104 4.646 -3.434 -8.957 1.00 0.48 H new ATOM 0 HD11 LEU A 104 3.591 -5.077 -10.536 1.00 0.66 H new ATOM 0 HD12 LEU A 104 2.614 -3.597 -10.385 1.00 0.66 H new ATOM 0 HD13 LEU A 104 3.635 -3.847 -11.821 1.00 0.66 H new ATOM 0 HD21 LEU A 104 6.037 -5.009 -10.246 1.00 0.57 H new ATOM 0 HD22 LEU A 104 6.180 -3.807 -11.551 1.00 0.57 H new ATOM 0 HD23 LEU A 104 6.876 -3.468 -9.948 1.00 0.57 H new ATOM 1648 N PHE A 105 6.684 1.174 -10.417 1.00 0.56 N ATOM 1649 CA PHE A 105 6.761 2.567 -10.836 1.00 0.56 C ATOM 1650 C PHE A 105 6.837 2.686 -12.368 1.00 0.54 C ATOM 1651 O PHE A 105 7.330 1.790 -13.061 1.00 0.81 O ATOM 1652 CB PHE A 105 8.005 3.200 -10.204 1.00 0.72 C ATOM 1653 CG PHE A 105 8.076 3.176 -8.693 1.00 0.73 C ATOM 1654 CD1 PHE A 105 7.550 4.244 -7.947 1.00 2.16 C ATOM 1655 CD2 PHE A 105 8.735 2.121 -8.033 1.00 1.59 C ATOM 1656 CE1 PHE A 105 7.710 4.278 -6.552 1.00 2.18 C ATOM 1657 CE2 PHE A 105 8.898 2.155 -6.640 1.00 1.60 C ATOM 1658 CZ PHE A 105 8.392 3.236 -5.900 1.00 0.81 C ATOM 0 H PHE A 105 7.583 0.697 -10.486 1.00 0.56 H new ATOM 0 HA PHE A 105 5.861 3.086 -10.507 1.00 0.56 H new ATOM 0 HB2 PHE A 105 8.885 2.690 -10.596 1.00 0.72 H new ATOM 0 HB3 PHE A 105 8.065 4.237 -10.533 1.00 0.72 H new ATOM 0 HD1 PHE A 105 7.021 5.041 -8.448 1.00 2.16 H new ATOM 0 HD2 PHE A 105 9.116 1.284 -8.600 1.00 1.59 H new ATOM 0 HE1 PHE A 105 7.310 5.103 -5.981 1.00 2.18 H new ATOM 0 HE2 PHE A 105 9.413 1.350 -6.137 1.00 1.60 H new ATOM 0 HZ PHE A 105 8.527 3.267 -4.829 1.00 0.81 H new ATOM 1668 N ALA A 106 6.406 3.832 -12.903 1.00 0.53 N ATOM 1669 CA ALA A 106 6.544 4.165 -14.322 1.00 0.71 C ATOM 1670 C ALA A 106 8.022 4.176 -14.774 1.00 1.70 C ATOM 1671 O ALA A 106 8.916 4.551 -14.012 1.00 2.61 O ATOM 1672 CB ALA A 106 5.848 5.506 -14.590 1.00 0.99 C ATOM 0 H ALA A 106 5.947 4.561 -12.357 1.00 0.53 H new ATOM 0 HA ALA A 106 6.060 3.390 -14.917 1.00 0.71 H new ATOM 0 HB1 ALA A 106 5.946 5.762 -15.645 1.00 0.99 H new ATOM 0 HB2 ALA A 106 4.792 5.426 -14.332 1.00 0.99 H new ATOM 0 HB3 ALA A 106 6.311 6.284 -13.983 1.00 0.99 H new ATOM 1678 N GLY A 107 8.274 3.752 -16.022 1.00 2.45 N ATOM 1679 CA GLY A 107 9.629 3.614 -16.584 1.00 3.47 C ATOM 1680 C GLY A 107 10.273 2.238 -16.368 1.00 2.85 C ATOM 1681 O GLY A 107 11.496 2.140 -16.415 1.00 3.82 O ATOM 0 H GLY A 107 7.536 3.492 -16.677 1.00 2.45 H new ATOM 0 HA2 GLY A 107 9.587 3.817 -17.654 1.00 3.47 H new ATOM 0 HA3 GLY A 107 10.271 4.375 -16.141 1.00 3.47 H new ATOM 1685 N GLY A 108 9.476 1.192 -16.108 1.00 1.56 N ATOM 1686 CA GLY A 108 9.950 -0.193 -15.915 1.00 1.55 C ATOM 1687 C GLY A 108 10.568 -0.451 -14.538 1.00 1.44 C ATOM 1688 O GLY A 108 11.169 -1.497 -14.296 1.00 2.05 O ATOM 0 H GLY A 108 8.464 1.283 -16.024 1.00 1.56 H new ATOM 0 HA2 GLY A 108 9.114 -0.877 -16.061 1.00 1.55 H new ATOM 0 HA3 GLY A 108 10.688 -0.424 -16.683 1.00 1.55 H new ATOM 1692 N LYS A 109 10.445 0.507 -13.619 1.00 0.96 N ATOM 1693 CA LYS A 109 11.084 0.460 -12.311 1.00 0.94 C ATOM 1694 C LYS A 109 10.309 -0.441 -11.348 1.00 0.82 C ATOM 1695 O LYS A 109 9.251 -0.072 -10.846 1.00 1.03 O ATOM 1696 CB LYS A 109 11.201 1.886 -11.777 1.00 0.96 C ATOM 1697 CG LYS A 109 12.412 2.585 -12.380 1.00 1.25 C ATOM 1698 CD LYS A 109 12.320 4.088 -12.072 1.00 1.48 C ATOM 1699 CE LYS A 109 13.422 4.884 -12.775 1.00 2.04 C ATOM 1700 NZ LYS A 109 13.264 6.340 -12.524 1.00 3.09 N ATOM 0 H LYS A 109 9.889 1.349 -13.768 1.00 0.96 H new ATOM 0 HA LYS A 109 12.080 0.028 -12.404 1.00 0.94 H new ATOM 0 HB2 LYS A 109 10.296 2.445 -12.015 1.00 0.96 H new ATOM 0 HB3 LYS A 109 11.288 1.868 -10.691 1.00 0.96 H new ATOM 0 HG2 LYS A 109 13.332 2.171 -11.967 1.00 1.25 H new ATOM 0 HG3 LYS A 109 12.445 2.422 -13.457 1.00 1.25 H new ATOM 0 HD2 LYS A 109 11.346 4.463 -12.384 1.00 1.48 H new ATOM 0 HD3 LYS A 109 12.391 4.243 -10.995 1.00 1.48 H new ATOM 0 HE2 LYS A 109 14.398 4.553 -12.420 1.00 2.04 H new ATOM 0 HE3 LYS A 109 13.390 4.690 -13.847 1.00 2.04 H new ATOM 0 HZ1 LYS A 109 14.022 6.860 -13.010 1.00 3.09 H new ATOM 0 HZ2 LYS A 109 12.341 6.656 -12.884 1.00 3.09 H new ATOM 0 HZ3 LYS A 109 13.318 6.524 -11.502 1.00 3.09 H new ATOM 1714 N VAL A 110 10.887 -1.603 -11.087 1.00 0.70 N ATOM 1715 CA VAL A 110 10.364 -2.622 -10.163 1.00 0.69 C ATOM 1716 C VAL A 110 11.314 -2.823 -8.979 1.00 0.82 C ATOM 1717 O VAL A 110 12.466 -3.216 -9.161 1.00 1.21 O ATOM 1718 CB VAL A 110 10.032 -3.944 -10.897 1.00 0.71 C ATOM 1719 CG1 VAL A 110 11.185 -4.528 -11.734 1.00 2.08 C ATOM 1720 CG2 VAL A 110 9.514 -5.026 -9.937 1.00 1.96 C ATOM 0 H VAL A 110 11.766 -1.882 -11.524 1.00 0.70 H new ATOM 0 HA VAL A 110 9.420 -2.259 -9.756 1.00 0.69 H new ATOM 0 HB VAL A 110 9.246 -3.656 -11.595 1.00 0.71 H new ATOM 0 HG11 VAL A 110 10.857 -5.452 -12.210 1.00 2.08 H new ATOM 0 HG12 VAL A 110 11.479 -3.810 -12.500 1.00 2.08 H new ATOM 0 HG13 VAL A 110 12.036 -4.735 -11.086 1.00 2.08 H new ATOM 0 HG21 VAL A 110 9.295 -5.935 -10.497 1.00 1.96 H new ATOM 0 HG22 VAL A 110 10.273 -5.238 -9.184 1.00 1.96 H new ATOM 0 HG23 VAL A 110 8.606 -4.674 -9.447 1.00 1.96 H new ATOM 1730 N LEU A 111 10.837 -2.495 -7.774 1.00 0.63 N ATOM 1731 CA LEU A 111 11.608 -2.543 -6.527 1.00 0.65 C ATOM 1732 C LEU A 111 10.928 -3.493 -5.541 1.00 0.65 C ATOM 1733 O LEU A 111 9.824 -3.219 -5.082 1.00 0.85 O ATOM 1734 CB LEU A 111 11.709 -1.133 -5.905 1.00 0.83 C ATOM 1735 CG LEU A 111 12.880 -0.259 -6.393 1.00 1.52 C ATOM 1736 CD1 LEU A 111 12.790 0.110 -7.879 1.00 3.14 C ATOM 1737 CD2 LEU A 111 12.916 1.024 -5.550 1.00 2.11 C ATOM 0 H LEU A 111 9.877 -2.180 -7.635 1.00 0.63 H new ATOM 0 HA LEU A 111 12.613 -2.903 -6.746 1.00 0.65 H new ATOM 0 HB2 LEU A 111 10.778 -0.602 -6.105 1.00 0.83 H new ATOM 0 HB3 LEU A 111 11.789 -1.240 -4.823 1.00 0.83 H new ATOM 0 HG LEU A 111 13.793 -0.843 -6.275 1.00 1.52 H new ATOM 0 HD11 LEU A 111 13.647 0.726 -8.154 1.00 3.14 H new ATOM 0 HD12 LEU A 111 12.789 -0.799 -8.480 1.00 3.14 H new ATOM 0 HD13 LEU A 111 11.870 0.666 -8.061 1.00 3.14 H new ATOM 0 HD21 LEU A 111 13.740 1.655 -5.883 1.00 2.11 H new ATOM 0 HD22 LEU A 111 11.976 1.563 -5.668 1.00 2.11 H new ATOM 0 HD23 LEU A 111 13.057 0.766 -4.500 1.00 2.11 H new ATOM 1749 N LYS A 112 11.620 -4.569 -5.165 1.00 0.81 N ATOM 1750 CA LYS A 112 11.100 -5.556 -4.207 1.00 0.96 C ATOM 1751 C LYS A 112 11.772 -5.437 -2.831 1.00 1.27 C ATOM 1752 O LYS A 112 12.998 -5.349 -2.759 1.00 1.65 O ATOM 1753 CB LYS A 112 11.235 -6.976 -4.790 1.00 1.29 C ATOM 1754 CG LYS A 112 10.066 -7.852 -4.309 1.00 1.88 C ATOM 1755 CD LYS A 112 9.909 -9.179 -5.057 1.00 2.28 C ATOM 1756 CE LYS A 112 11.007 -10.179 -4.703 1.00 1.99 C ATOM 1757 NZ LYS A 112 12.214 -10.039 -5.533 1.00 2.61 N ATOM 0 H LYS A 112 12.555 -4.784 -5.513 1.00 0.81 H new ATOM 0 HA LYS A 112 10.042 -5.348 -4.046 1.00 0.96 H new ATOM 0 HB2 LYS A 112 11.244 -6.932 -5.879 1.00 1.29 H new ATOM 0 HB3 LYS A 112 12.183 -7.417 -4.481 1.00 1.29 H new ATOM 0 HG2 LYS A 112 10.201 -8.063 -3.248 1.00 1.88 H new ATOM 0 HG3 LYS A 112 9.141 -7.284 -4.406 1.00 1.88 H new ATOM 0 HD2 LYS A 112 8.937 -9.613 -4.822 1.00 2.28 H new ATOM 0 HD3 LYS A 112 9.924 -8.992 -6.131 1.00 2.28 H new ATOM 0 HE2 LYS A 112 11.279 -10.053 -3.655 1.00 1.99 H new ATOM 0 HE3 LYS A 112 10.616 -11.191 -4.811 1.00 1.99 H new ATOM 0 HZ1 LYS A 112 12.668 -10.968 -5.645 1.00 2.61 H new ATOM 0 HZ2 LYS A 112 11.951 -9.667 -6.468 1.00 2.61 H new ATOM 0 HZ3 LYS A 112 12.877 -9.383 -5.073 1.00 2.61 H new ATOM 1771 N VAL A 113 10.989 -5.470 -1.753 1.00 1.24 N ATOM 1772 CA VAL A 113 11.448 -5.351 -0.352 1.00 1.57 C ATOM 1773 C VAL A 113 10.583 -6.250 0.541 1.00 1.22 C ATOM 1774 O VAL A 113 9.474 -6.609 0.159 1.00 0.81 O ATOM 1775 CB VAL A 113 11.404 -3.885 0.159 1.00 1.95 C ATOM 1776 CG1 VAL A 113 12.172 -3.699 1.486 1.00 2.75 C ATOM 1777 CG2 VAL A 113 12.008 -2.883 -0.845 1.00 2.81 C ATOM 0 H VAL A 113 9.978 -5.584 -1.824 1.00 1.24 H new ATOM 0 HA VAL A 113 12.489 -5.671 -0.310 1.00 1.57 H new ATOM 0 HB VAL A 113 10.342 -3.684 0.299 1.00 1.95 H new ATOM 0 HG11 VAL A 113 12.110 -2.657 1.799 1.00 2.75 H new ATOM 0 HG12 VAL A 113 11.732 -4.335 2.254 1.00 2.75 H new ATOM 0 HG13 VAL A 113 13.217 -3.973 1.343 1.00 2.75 H new ATOM 0 HG21 VAL A 113 11.949 -1.875 -0.433 1.00 2.81 H new ATOM 0 HG22 VAL A 113 13.051 -3.139 -1.031 1.00 2.81 H new ATOM 0 HG23 VAL A 113 11.451 -2.925 -1.781 1.00 2.81 H new ATOM 1787 N VAL A 114 11.088 -6.590 1.727 1.00 1.54 N ATOM 1788 CA VAL A 114 10.438 -7.468 2.719 1.00 1.37 C ATOM 1789 C VAL A 114 9.927 -6.643 3.906 1.00 1.33 C ATOM 1790 O VAL A 114 10.624 -5.754 4.391 1.00 1.61 O ATOM 1791 CB VAL A 114 11.368 -8.631 3.151 1.00 1.66 C ATOM 1792 CG1 VAL A 114 12.646 -8.163 3.866 1.00 2.05 C ATOM 1793 CG2 VAL A 114 10.606 -9.654 4.010 1.00 2.61 C ATOM 0 H VAL A 114 11.997 -6.251 2.042 1.00 1.54 H new ATOM 0 HA VAL A 114 9.572 -7.937 2.253 1.00 1.37 H new ATOM 0 HB VAL A 114 11.695 -9.113 2.229 1.00 1.66 H new ATOM 0 HG11 VAL A 114 13.248 -9.030 4.139 1.00 2.05 H new ATOM 0 HG12 VAL A 114 13.220 -7.518 3.201 1.00 2.05 H new ATOM 0 HG13 VAL A 114 12.378 -7.610 4.766 1.00 2.05 H new ATOM 0 HG21 VAL A 114 11.280 -10.460 4.300 1.00 2.61 H new ATOM 0 HG22 VAL A 114 10.221 -9.163 4.904 1.00 2.61 H new ATOM 0 HG23 VAL A 114 9.776 -10.065 3.436 1.00 2.61 H new ATOM 1803 N LEU A 115 8.688 -6.911 4.334 1.00 1.07 N ATOM 1804 CA LEU A 115 7.914 -6.113 5.293 1.00 1.05 C ATOM 1805 C LEU A 115 7.161 -7.043 6.274 1.00 0.87 C ATOM 1806 O LEU A 115 6.741 -8.130 5.857 1.00 0.87 O ATOM 1807 CB LEU A 115 6.894 -5.263 4.508 1.00 1.20 C ATOM 1808 CG LEU A 115 7.477 -4.222 3.527 1.00 1.84 C ATOM 1809 CD1 LEU A 115 6.328 -3.578 2.741 1.00 2.06 C ATOM 1810 CD2 LEU A 115 8.284 -3.115 4.224 1.00 3.12 C ATOM 0 H LEU A 115 8.173 -7.728 4.006 1.00 1.07 H new ATOM 0 HA LEU A 115 8.585 -5.471 5.864 1.00 1.05 H new ATOM 0 HB2 LEU A 115 6.248 -5.938 3.946 1.00 1.20 H new ATOM 0 HB3 LEU A 115 6.262 -4.740 5.225 1.00 1.20 H new ATOM 0 HG LEU A 115 8.164 -4.754 2.869 1.00 1.84 H new ATOM 0 HD11 LEU A 115 6.731 -2.841 2.046 1.00 2.06 H new ATOM 0 HD12 LEU A 115 5.792 -4.347 2.185 1.00 2.06 H new ATOM 0 HD13 LEU A 115 5.644 -3.087 3.433 1.00 2.06 H new ATOM 0 HD21 LEU A 115 8.665 -2.418 3.478 1.00 3.12 H new ATOM 0 HD22 LEU A 115 7.641 -2.582 4.924 1.00 3.12 H new ATOM 0 HD23 LEU A 115 9.119 -3.559 4.765 1.00 3.12 H new ATOM 1822 N PRO A 116 6.938 -6.635 7.537 1.00 0.81 N ATOM 1823 CA PRO A 116 6.120 -7.380 8.494 1.00 0.78 C ATOM 1824 C PRO A 116 4.615 -7.325 8.183 1.00 0.82 C ATOM 1825 O PRO A 116 4.158 -6.537 7.354 1.00 1.07 O ATOM 1826 CB PRO A 116 6.435 -6.761 9.860 1.00 0.86 C ATOM 1827 CG PRO A 116 6.786 -5.317 9.513 1.00 0.87 C ATOM 1828 CD PRO A 116 7.549 -5.493 8.200 1.00 0.87 C ATOM 0 HA PRO A 116 6.360 -8.443 8.455 1.00 0.78 H new ATOM 0 HB2 PRO A 116 5.581 -6.817 10.535 1.00 0.86 H new ATOM 0 HB3 PRO A 116 7.264 -7.270 10.352 1.00 0.86 H new ATOM 0 HG2 PRO A 116 5.898 -4.697 9.391 1.00 0.87 H new ATOM 0 HG3 PRO A 116 7.398 -4.848 10.283 1.00 0.87 H new ATOM 0 HD2 PRO A 116 7.477 -4.598 7.583 1.00 0.87 H new ATOM 0 HD3 PRO A 116 8.609 -5.669 8.384 1.00 0.87 H new ATOM 1836 N VAL A 117 3.838 -8.144 8.897 1.00 0.76 N ATOM 1837 CA VAL A 117 2.357 -8.143 8.967 1.00 0.84 C ATOM 1838 C VAL A 117 1.908 -7.869 10.417 1.00 0.92 C ATOM 1839 O VAL A 117 2.222 -8.673 11.295 1.00 0.99 O ATOM 1840 CB VAL A 117 1.795 -9.524 8.530 1.00 0.87 C ATOM 1841 CG1 VAL A 117 0.267 -9.641 8.682 1.00 0.83 C ATOM 1842 CG2 VAL A 117 2.138 -9.877 7.074 1.00 0.97 C ATOM 0 H VAL A 117 4.243 -8.875 9.482 1.00 0.76 H new ATOM 0 HA VAL A 117 1.980 -7.367 8.301 1.00 0.84 H new ATOM 0 HB VAL A 117 2.283 -10.223 9.210 1.00 0.87 H new ATOM 0 HG11 VAL A 117 -0.056 -10.631 8.359 1.00 0.83 H new ATOM 0 HG12 VAL A 117 -0.007 -9.493 9.727 1.00 0.83 H new ATOM 0 HG13 VAL A 117 -0.219 -8.882 8.068 1.00 0.83 H new ATOM 0 HG21 VAL A 117 1.719 -10.852 6.828 1.00 0.97 H new ATOM 0 HG22 VAL A 117 1.718 -9.123 6.408 1.00 0.97 H new ATOM 0 HG23 VAL A 117 3.221 -9.906 6.952 1.00 0.97 H new ATOM 1852 N GLU A 118 1.129 -6.806 10.668 1.00 1.05 N ATOM 1853 CA GLU A 118 0.566 -6.477 11.990 1.00 1.09 C ATOM 1854 C GLU A 118 -0.665 -5.554 11.937 1.00 1.61 C ATOM 1855 O GLU A 118 -0.863 -4.757 11.017 1.00 2.36 O ATOM 1856 CB GLU A 118 1.642 -6.003 12.984 1.00 1.35 C ATOM 1857 CG GLU A 118 2.471 -4.796 12.535 1.00 1.79 C ATOM 1858 CD GLU A 118 3.867 -4.887 13.146 1.00 2.83 C ATOM 1859 OE1 GLU A 118 4.625 -5.746 12.648 1.00 4.10 O ATOM 1860 OE2 GLU A 118 4.144 -4.150 14.117 1.00 3.31 O ATOM 0 H GLU A 118 0.866 -6.137 9.945 1.00 1.05 H new ATOM 0 HA GLU A 118 0.179 -7.417 12.383 1.00 1.09 H new ATOM 0 HB2 GLU A 118 1.156 -5.757 13.928 1.00 1.35 H new ATOM 0 HB3 GLU A 118 2.320 -6.833 13.182 1.00 1.35 H new ATOM 0 HG2 GLU A 118 2.539 -4.771 11.447 1.00 1.79 H new ATOM 0 HG3 GLU A 118 1.985 -3.871 12.845 1.00 1.79 H new