USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 115 HIS : no HD1:sc= -2.41! K(o=-5.4!,f=-0.23) USER MOD Set 1.2: A 119 GLN : amide:sc= -3.02! K(o=-5.4!,f=-0.044) USER MOD Set 2.1: A 104 MET CE :methyl 174:sc= -0.25 (180deg=-0.322) USER MOD Set 2.2: A 112 ASN : amide:sc= 0.586 K(o=0.34,f=-0.93) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.969) USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= 0.468 K(o=0.47,f=-1.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 57 SER OG : rot 41:sc= -0.0438 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot -174:sc= 0.385 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.87 K(o=0.87,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= 1.28 K(o=1.3,f=-5.5!) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 82 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-7.8e-05) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.36 K(o=-0.36,f=-6!) USER MOD Single : A 94 SER OG : rot 84:sc= 1.29 USER MOD Single : A 95 SER OG : rot -169:sc= 0.642 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 159:sc= 0 (180deg=-0.239) USER MOD Single : A 102 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.069) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 CYS SG : rot 110:sc= 0.326 USER MOD Single : A 118 THR OG1 : rot 71:sc= 1.1 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 93:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 5.924 -2.880 6.413 1.00 0.00 N ATOM 90 CA GLU A 7 5.742 -1.976 7.551 1.00 0.00 C ATOM 91 C GLU A 7 4.399 -1.243 7.363 1.00 0.00 C ATOM 92 O GLU A 7 4.295 -0.431 6.433 1.00 0.00 O ATOM 93 CB GLU A 7 6.903 -0.969 7.602 1.00 0.00 C ATOM 94 CG GLU A 7 6.835 -0.042 8.822 1.00 0.00 C ATOM 95 CD GLU A 7 7.896 1.062 8.712 1.00 0.00 C ATOM 96 OE1 GLU A 7 7.716 1.972 7.868 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.905 1.023 9.457 1.00 0.00 O ATOM 0 HA GLU A 7 5.733 -2.532 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.848 -1.512 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.895 -0.367 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.843 0.404 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.993 -0.618 9.734 1.00 0.00 H new ATOM 104 N PRO A 8 3.374 -1.513 8.201 1.00 0.00 N ATOM 105 CA PRO A 8 2.131 -0.751 8.195 1.00 0.00 C ATOM 106 C PRO A 8 2.377 0.712 8.574 1.00 0.00 C ATOM 107 O PRO A 8 3.265 1.022 9.367 1.00 0.00 O ATOM 108 CB PRO A 8 1.196 -1.443 9.192 1.00 0.00 C ATOM 109 CG PRO A 8 1.792 -2.838 9.358 1.00 0.00 C ATOM 110 CD PRO A 8 3.287 -2.601 9.164 1.00 0.00 C ATOM 0 HA PRO A 8 1.687 -0.730 7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.161 -0.909 10.142 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.175 -1.489 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.574 -3.255 10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.396 -3.536 8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.770 -2.335 10.104 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.784 -3.497 8.793 1.00 0.00 H new ATOM 118 N LYS A 9 1.575 1.617 8.010 1.00 0.00 N ATOM 119 CA LYS A 9 1.629 3.060 8.281 1.00 0.00 C ATOM 120 C LYS A 9 0.482 3.506 9.220 1.00 0.00 C ATOM 121 O LYS A 9 -0.538 2.815 9.326 1.00 0.00 O ATOM 122 CB LYS A 9 1.638 3.805 6.931 1.00 0.00 C ATOM 123 CG LYS A 9 3.047 4.089 6.375 1.00 0.00 C ATOM 124 CD LYS A 9 3.969 2.864 6.259 1.00 0.00 C ATOM 125 CE LYS A 9 5.226 3.265 5.474 1.00 0.00 C ATOM 126 NZ LYS A 9 6.245 2.187 5.470 1.00 0.00 N ATOM 0 H LYS A 9 0.852 1.364 7.336 1.00 0.00 H new ATOM 0 HA LYS A 9 2.544 3.310 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.083 3.216 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.108 4.750 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.946 4.541 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.530 4.827 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.242 2.502 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.452 2.049 5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.951 3.508 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.654 4.167 5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.907 2.338 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.768 2.200 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.776 1.266 5.356 1.00 0.00 H new ATOM 140 N PRO A 10 0.641 4.631 9.950 1.00 0.00 N ATOM 141 CA PRO A 10 -0.280 5.012 11.013 1.00 0.00 C ATOM 142 C PRO A 10 -1.668 5.359 10.470 1.00 0.00 C ATOM 143 O PRO A 10 -1.807 6.130 9.521 1.00 0.00 O ATOM 144 CB PRO A 10 0.397 6.154 11.778 1.00 0.00 C ATOM 145 CG PRO A 10 1.320 6.769 10.731 1.00 0.00 C ATOM 146 CD PRO A 10 1.762 5.557 9.913 1.00 0.00 C ATOM 0 HA PRO A 10 -0.474 4.184 11.695 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.329 6.877 12.150 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.953 5.788 12.641 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.801 7.504 10.116 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.168 7.279 11.189 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.002 5.842 8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.659 5.104 10.336 1.00 0.00 H new ATOM 154 N GLY A 11 -2.690 4.750 11.082 1.00 0.00 N ATOM 155 CA GLY A 11 -4.104 4.898 10.720 1.00 0.00 C ATOM 156 C GLY A 11 -4.558 4.032 9.549 1.00 0.00 C ATOM 157 O GLY A 11 -5.738 4.067 9.200 1.00 0.00 O ATOM 0 H GLY A 11 -2.550 4.118 11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.715 4.657 11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.295 5.943 10.476 1.00 0.00 H new ATOM 161 N ASP A 12 -3.660 3.272 8.926 1.00 0.00 N ATOM 162 CA ASP A 12 -3.997 2.254 7.930 1.00 0.00 C ATOM 163 C ASP A 12 -4.378 0.930 8.607 1.00 0.00 C ATOM 164 O ASP A 12 -3.878 0.590 9.687 1.00 0.00 O ATOM 165 CB ASP A 12 -2.856 2.090 6.917 1.00 0.00 C ATOM 166 CG ASP A 12 -2.629 3.378 6.103 1.00 0.00 C ATOM 167 OD1 ASP A 12 -3.522 3.761 5.308 1.00 0.00 O ATOM 168 OD2 ASP A 12 -1.556 4.008 6.253 1.00 0.00 O ATOM 0 H ASP A 12 -2.658 3.347 9.102 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.873 2.585 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.938 1.825 7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.085 1.267 6.240 1.00 0.00 H new ATOM 173 N LEU A 13 -5.304 0.198 7.977 1.00 0.00 N ATOM 174 CA LEU A 13 -5.850 -1.052 8.502 1.00 0.00 C ATOM 175 C LEU A 13 -5.301 -2.266 7.748 1.00 0.00 C ATOM 176 O LEU A 13 -5.100 -2.256 6.533 1.00 0.00 O ATOM 177 CB LEU A 13 -7.385 -0.987 8.626 1.00 0.00 C ATOM 178 CG LEU A 13 -8.185 -0.874 7.314 1.00 0.00 C ATOM 179 CD1 LEU A 13 -8.678 -2.244 6.843 1.00 0.00 C ATOM 180 CD2 LEU A 13 -9.388 0.056 7.527 1.00 0.00 C ATOM 0 H LEU A 13 -5.699 0.464 7.075 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.500 -1.191 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.721 -1.880 9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.639 -0.132 9.253 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.526 -0.466 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.239 -2.130 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.824 -2.899 6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.323 -2.680 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.954 0.136 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.029 -0.351 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.036 1.044 7.824 1.00 0.00 H new ATOM 192 N ILE A 14 -5.010 -3.299 8.527 1.00 0.00 N ATOM 193 CA ILE A 14 -4.201 -4.464 8.176 1.00 0.00 C ATOM 194 C ILE A 14 -5.106 -5.693 8.185 1.00 0.00 C ATOM 195 O ILE A 14 -5.834 -5.912 9.151 1.00 0.00 O ATOM 196 CB ILE A 14 -3.045 -4.660 9.195 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.367 -3.351 9.674 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.999 -5.604 8.567 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.392 -3.579 10.835 1.00 0.00 C ATOM 0 H ILE A 14 -5.355 -3.351 9.486 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.761 -4.317 7.190 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.488 -5.088 10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.832 -2.898 8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.134 -2.642 9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.178 -5.755 9.268 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.464 -6.564 8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.615 -5.162 7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.947 -2.628 11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.929 -4.006 11.682 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.606 -4.266 10.521 1.00 0.00 H new ATOM 211 N GLU A 15 -5.035 -6.502 7.137 1.00 0.00 N ATOM 212 CA GLU A 15 -5.655 -7.815 7.068 1.00 0.00 C ATOM 213 C GLU A 15 -4.606 -8.833 7.540 1.00 0.00 C ATOM 214 O GLU A 15 -3.543 -8.982 6.931 1.00 0.00 O ATOM 215 CB GLU A 15 -6.116 -8.046 5.628 1.00 0.00 C ATOM 216 CG GLU A 15 -7.068 -9.236 5.474 1.00 0.00 C ATOM 217 CD GLU A 15 -7.525 -9.419 4.018 1.00 0.00 C ATOM 218 OE1 GLU A 15 -6.992 -8.741 3.105 1.00 0.00 O ATOM 219 OE2 GLU A 15 -8.394 -10.287 3.769 1.00 0.00 O ATOM 0 H GLU A 15 -4.529 -6.254 6.287 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.533 -7.912 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.611 -7.146 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.242 -8.206 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.572 -10.144 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.939 -9.089 6.112 1.00 0.00 H new ATOM 226 N ILE A 16 -4.883 -9.494 8.661 1.00 0.00 N ATOM 227 CA ILE A 16 -3.994 -10.425 9.370 1.00 0.00 C ATOM 228 C ILE A 16 -4.451 -11.856 9.063 1.00 0.00 C ATOM 229 O ILE A 16 -5.628 -12.168 9.253 1.00 0.00 O ATOM 230 CB ILE A 16 -4.078 -10.164 10.902 1.00 0.00 C ATOM 231 CG1 ILE A 16 -3.948 -8.682 11.337 1.00 0.00 C ATOM 232 CG2 ILE A 16 -3.052 -11.030 11.654 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.572 -8.046 11.114 1.00 0.00 C ATOM 0 H ILE A 16 -5.783 -9.392 9.129 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.963 -10.283 9.045 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.094 -10.449 11.174 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.691 -8.096 10.796 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.195 -8.610 12.396 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.125 -10.834 12.724 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.256 -12.084 11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.047 -10.786 11.308 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.591 -7.010 11.452 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.820 -8.598 11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.325 -8.077 10.053 1.00 0.00 H new ATOM 245 N PHE A 17 -3.546 -12.745 8.635 1.00 0.00 N ATOM 246 CA PHE A 17 -3.897 -14.146 8.360 1.00 0.00 C ATOM 247 C PHE A 17 -4.203 -14.940 9.645 1.00 0.00 C ATOM 248 O PHE A 17 -5.047 -15.839 9.646 1.00 0.00 O ATOM 249 CB PHE A 17 -2.757 -14.803 7.566 1.00 0.00 C ATOM 250 CG PHE A 17 -3.070 -16.225 7.136 1.00 0.00 C ATOM 251 CD1 PHE A 17 -3.882 -16.457 6.011 1.00 0.00 C ATOM 252 CD2 PHE A 17 -2.585 -17.319 7.882 1.00 0.00 C ATOM 253 CE1 PHE A 17 -4.214 -17.770 5.636 1.00 0.00 C ATOM 254 CE2 PHE A 17 -2.916 -18.633 7.506 1.00 0.00 C ATOM 255 CZ PHE A 17 -3.732 -18.859 6.382 1.00 0.00 C ATOM 0 H PHE A 17 -2.565 -12.520 8.471 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.813 -14.158 7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.545 -14.201 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.853 -14.805 8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.252 -15.623 5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.958 -17.147 8.744 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.840 -17.942 4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.544 -19.469 8.080 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.987 -19.868 6.093 1.00 0.00 H new ATOM 265 N ARG A 18 -3.512 -14.596 10.741 1.00 0.00 N ATOM 266 CA ARG A 18 -3.651 -15.173 12.085 1.00 0.00 C ATOM 267 C ARG A 18 -3.419 -16.691 12.066 1.00 0.00 C ATOM 268 O ARG A 18 -2.311 -17.118 11.751 1.00 0.00 O ATOM 269 CB ARG A 18 -4.945 -14.658 12.764 1.00 0.00 C ATOM 270 CG ARG A 18 -5.055 -14.923 14.283 1.00 0.00 C ATOM 271 CD ARG A 18 -3.868 -14.368 15.081 1.00 0.00 C ATOM 272 NE ARG A 18 -4.043 -14.559 16.534 1.00 0.00 N ATOM 273 CZ ARG A 18 -3.209 -14.142 17.480 1.00 0.00 C ATOM 274 NH1 ARG A 18 -2.133 -13.445 17.185 1.00 0.00 N ATOM 275 NH2 ARG A 18 -3.445 -14.424 18.743 1.00 0.00 N ATOM 0 H ARG A 18 -2.800 -13.866 10.711 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.858 -14.819 12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.020 -13.584 12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.801 -15.119 12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.976 -14.477 14.657 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.129 -15.997 14.453 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.951 -14.861 14.758 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.751 -13.306 14.866 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.880 -15.056 16.839 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.925 -13.214 16.213 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.507 -13.135 17.928 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.271 -14.965 18.999 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.802 -14.102 19.466 1.00 0.00 H new ATOM 289 N LEU A 19 -4.403 -17.504 12.457 1.00 0.00 N ATOM 290 CA LEU A 19 -4.198 -18.896 12.877 1.00 0.00 C ATOM 291 C LEU A 19 -5.210 -19.821 12.177 1.00 0.00 C ATOM 292 O LEU A 19 -6.029 -20.492 12.809 1.00 0.00 O ATOM 293 CB LEU A 19 -4.259 -18.942 14.421 1.00 0.00 C ATOM 294 CG LEU A 19 -3.048 -18.316 15.149 1.00 0.00 C ATOM 295 CD1 LEU A 19 -3.329 -18.264 16.657 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.741 -19.088 14.899 1.00 0.00 C ATOM 0 H LEU A 19 -5.380 -17.211 12.492 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.219 -19.268 12.575 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.163 -18.429 14.748 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.352 -19.982 14.734 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.913 -17.312 14.748 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.475 -17.823 17.171 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.216 -17.658 16.841 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.495 -19.274 17.031 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.924 -18.604 15.434 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.850 -20.113 15.254 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.521 -19.095 13.831 1.00 0.00 H new ATOM 308 N GLY A 20 -5.174 -19.803 10.839 1.00 0.00 N ATOM 309 CA GLY A 20 -6.053 -20.586 9.954 1.00 0.00 C ATOM 310 C GLY A 20 -7.336 -19.863 9.525 1.00 0.00 C ATOM 311 O GLY A 20 -8.103 -20.416 8.738 1.00 0.00 O ATOM 0 H GLY A 20 -4.511 -19.225 10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.493 -20.864 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.326 -21.512 10.461 1.00 0.00 H new ATOM 315 N TYR A 21 -7.563 -18.636 10.006 1.00 0.00 N ATOM 316 CA TYR A 21 -8.687 -17.775 9.623 1.00 0.00 C ATOM 317 C TYR A 21 -8.371 -16.290 9.870 1.00 0.00 C ATOM 318 O TYR A 21 -7.963 -15.905 10.971 1.00 0.00 O ATOM 319 CB TYR A 21 -9.958 -18.188 10.382 1.00 0.00 C ATOM 320 CG TYR A 21 -11.208 -17.531 9.826 1.00 0.00 C ATOM 321 CD1 TYR A 21 -11.843 -18.084 8.695 1.00 0.00 C ATOM 322 CD2 TYR A 21 -11.703 -16.342 10.396 1.00 0.00 C ATOM 323 CE1 TYR A 21 -12.961 -17.447 8.126 1.00 0.00 C ATOM 324 CE2 TYR A 21 -12.820 -15.700 9.827 1.00 0.00 C ATOM 325 CZ TYR A 21 -13.450 -16.246 8.687 1.00 0.00 C ATOM 326 OH TYR A 21 -14.520 -15.614 8.127 1.00 0.00 O ATOM 0 H TYR A 21 -6.949 -18.201 10.695 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.856 -17.903 8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.069 -19.271 10.335 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.851 -17.924 11.434 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.469 -19.001 8.263 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.226 -15.923 11.269 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.445 -17.876 7.261 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.196 -14.787 10.264 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.106 -16.276 7.704 1.00 0.00 H new ATOM 336 N GLU A 22 -8.550 -15.468 8.839 1.00 0.00 N ATOM 337 CA GLU A 22 -8.112 -14.072 8.797 1.00 0.00 C ATOM 338 C GLU A 22 -8.991 -13.116 9.632 1.00 0.00 C ATOM 339 O GLU A 22 -10.186 -13.353 9.819 1.00 0.00 O ATOM 340 CB GLU A 22 -8.051 -13.575 7.336 1.00 0.00 C ATOM 341 CG GLU A 22 -7.322 -14.505 6.351 1.00 0.00 C ATOM 342 CD GLU A 22 -8.295 -15.440 5.611 1.00 0.00 C ATOM 343 OE1 GLU A 22 -8.814 -16.397 6.233 1.00 0.00 O ATOM 344 OE2 GLU A 22 -8.547 -15.220 4.402 1.00 0.00 O ATOM 0 H GLU A 22 -9.018 -15.763 7.982 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.120 -14.057 9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.070 -13.423 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.560 -12.602 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.773 -13.905 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.587 -15.101 6.892 1.00 0.00 H new ATOM 351 N HIS A 23 -8.423 -11.986 10.067 1.00 0.00 N ATOM 352 CA HIS A 23 -9.154 -10.877 10.705 1.00 0.00 C ATOM 353 C HIS A 23 -8.441 -9.521 10.514 1.00 0.00 C ATOM 354 O HIS A 23 -7.311 -9.469 10.029 1.00 0.00 O ATOM 355 CB HIS A 23 -9.411 -11.182 12.197 1.00 0.00 C ATOM 356 CG HIS A 23 -8.199 -11.076 13.094 1.00 0.00 C ATOM 357 ND1 HIS A 23 -7.701 -9.927 13.673 1.00 0.00 N ATOM 358 CD2 HIS A 23 -7.430 -12.113 13.544 1.00 0.00 C ATOM 359 CE1 HIS A 23 -6.663 -10.272 14.453 1.00 0.00 C ATOM 360 NE2 HIS A 23 -6.451 -11.598 14.407 1.00 0.00 N ATOM 0 H HIS A 23 -7.422 -11.810 9.985 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.119 -10.789 10.206 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.176 -10.498 12.565 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.818 -12.190 12.280 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -8.058 -8.982 13.533 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.555 -13.153 13.280 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.078 -9.578 15.038 1.00 0.00 H new ATOM 368 N TRP A 24 -9.079 -8.413 10.908 1.00 0.00 N ATOM 369 CA TRP A 24 -8.525 -7.062 10.759 1.00 0.00 C ATOM 370 C TRP A 24 -7.766 -6.544 11.994 1.00 0.00 C ATOM 371 O TRP A 24 -7.993 -6.996 13.120 1.00 0.00 O ATOM 372 CB TRP A 24 -9.655 -6.079 10.442 1.00 0.00 C ATOM 373 CG TRP A 24 -10.447 -6.327 9.195 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.732 -6.737 9.160 1.00 0.00 C ATOM 375 CD2 TRP A 24 -10.066 -6.112 7.802 1.00 0.00 C ATOM 376 NE1 TRP A 24 -12.163 -6.828 7.856 1.00 0.00 N ATOM 377 CE2 TRP A 24 -11.183 -6.432 6.971 1.00 0.00 C ATOM 378 CE3 TRP A 24 -8.900 -5.656 7.155 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -11.143 -6.303 5.573 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.856 -5.511 5.759 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.968 -5.837 4.964 1.00 0.00 C ATOM 0 H TRP A 24 -10.002 -8.429 11.343 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.800 -7.130 9.948 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.345 -6.074 11.286 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.225 -5.080 10.376 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.334 -6.961 10.028 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.091 -7.148 7.579 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.026 -5.414 7.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.005 -6.559 4.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.955 -5.144 5.290 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.918 -5.729 3.891 1.00 0.00 H new ATOM 392 N ALA A 25 -6.931 -5.522 11.779 1.00 0.00 N ATOM 393 CA ALA A 25 -6.259 -4.701 12.794 1.00 0.00 C ATOM 394 C ALA A 25 -6.025 -3.263 12.275 1.00 0.00 C ATOM 395 O ALA A 25 -6.069 -3.031 11.070 1.00 0.00 O ATOM 396 CB ALA A 25 -4.944 -5.389 13.198 1.00 0.00 C ATOM 0 H ALA A 25 -6.691 -5.227 10.833 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.893 -4.612 13.677 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.436 -4.788 13.952 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.160 -6.376 13.606 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.303 -5.491 12.322 1.00 0.00 H new ATOM 402 N LEU A 26 -5.752 -2.300 13.157 1.00 0.00 N ATOM 403 CA LEU A 26 -5.487 -0.883 12.843 1.00 0.00 C ATOM 404 C LEU A 26 -4.173 -0.472 13.517 1.00 0.00 C ATOM 405 O LEU A 26 -4.048 -0.613 14.731 1.00 0.00 O ATOM 406 CB LEU A 26 -6.677 -0.058 13.386 1.00 0.00 C ATOM 407 CG LEU A 26 -6.835 1.414 12.945 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.611 2.306 13.170 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.268 1.503 11.478 1.00 0.00 C ATOM 0 H LEU A 26 -5.706 -2.489 14.158 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.389 -0.713 11.771 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.592 -0.583 13.113 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.616 -0.070 14.474 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.611 1.805 13.603 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.829 3.317 12.826 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.368 2.329 14.232 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.763 1.908 12.612 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.372 2.550 11.192 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.517 1.028 10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.224 0.995 11.349 1.00 0.00 H new ATOM 421 N TYR A 27 -3.209 0.056 12.765 1.00 0.00 N ATOM 422 CA TYR A 27 -1.916 0.524 13.286 1.00 0.00 C ATOM 423 C TYR A 27 -2.043 1.917 13.943 1.00 0.00 C ATOM 424 O TYR A 27 -1.993 2.943 13.266 1.00 0.00 O ATOM 425 CB TYR A 27 -0.918 0.483 12.120 1.00 0.00 C ATOM 426 CG TYR A 27 0.561 0.475 12.468 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.195 -0.733 12.830 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.337 1.635 12.284 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.597 -0.790 12.954 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.738 1.587 12.407 1.00 0.00 C ATOM 431 CZ TYR A 27 3.374 0.366 12.712 1.00 0.00 C ATOM 432 OH TYR A 27 4.733 0.310 12.762 1.00 0.00 O ATOM 0 H TYR A 27 -3.302 0.175 11.756 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.554 -0.122 14.086 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.130 -0.406 11.526 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.110 1.346 11.482 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.603 -1.617 13.013 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.853 2.571 12.046 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.078 -1.716 13.234 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.325 2.483 12.268 1.00 0.00 H new ATOM 0 HH TYR A 27 5.104 1.196 12.569 1.00 0.00 H new ATOM 442 N ILE A 28 -2.261 1.966 15.264 1.00 0.00 N ATOM 443 CA ILE A 28 -2.503 3.225 16.016 1.00 0.00 C ATOM 444 C ILE A 28 -1.233 4.003 16.390 1.00 0.00 C ATOM 445 O ILE A 28 -1.316 5.199 16.671 1.00 0.00 O ATOM 446 CB ILE A 28 -3.331 2.979 17.299 1.00 0.00 C ATOM 447 CG1 ILE A 28 -2.715 1.907 18.232 1.00 0.00 C ATOM 448 CG2 ILE A 28 -4.784 2.645 16.928 1.00 0.00 C ATOM 449 CD1 ILE A 28 -3.191 2.026 19.686 1.00 0.00 C ATOM 0 H ILE A 28 -2.276 1.133 15.853 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.065 3.842 15.315 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.315 3.903 17.876 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.968 0.917 17.854 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.629 1.991 18.204 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.361 2.473 17.837 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.219 3.477 16.374 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.805 1.748 16.310 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.723 1.246 20.287 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.914 3.004 20.081 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.274 1.912 19.725 1.00 0.00 H new ATOM 461 N GLY A 29 -0.078 3.337 16.415 1.00 0.00 N ATOM 462 CA GLY A 29 1.226 3.926 16.728 1.00 0.00 C ATOM 463 C GLY A 29 2.348 3.125 16.087 1.00 0.00 C ATOM 464 O GLY A 29 2.091 2.085 15.486 1.00 0.00 O ATOM 0 H GLY A 29 -0.022 2.339 16.211 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.260 4.956 16.373 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.366 3.957 17.808 1.00 0.00 H new ATOM 468 N ASP A 30 3.587 3.589 16.228 1.00 0.00 N ATOM 469 CA ASP A 30 4.755 2.945 15.622 1.00 0.00 C ATOM 470 C ASP A 30 5.047 1.581 16.289 1.00 0.00 C ATOM 471 O ASP A 30 5.792 1.486 17.267 1.00 0.00 O ATOM 472 CB ASP A 30 5.968 3.887 15.674 1.00 0.00 C ATOM 473 CG ASP A 30 5.763 5.147 14.822 1.00 0.00 C ATOM 474 OD1 ASP A 30 5.936 5.066 13.583 1.00 0.00 O ATOM 475 OD2 ASP A 30 5.447 6.218 15.396 1.00 0.00 O ATOM 0 H ASP A 30 3.813 4.425 16.767 1.00 0.00 H new ATOM 0 HA ASP A 30 4.539 2.742 14.573 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.156 4.177 16.708 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.853 3.355 15.326 1.00 0.00 H new ATOM 480 N GLY A 31 4.415 0.530 15.760 1.00 0.00 N ATOM 481 CA GLY A 31 4.463 -0.860 16.232 1.00 0.00 C ATOM 482 C GLY A 31 3.263 -1.292 17.076 1.00 0.00 C ATOM 483 O GLY A 31 3.149 -2.475 17.393 1.00 0.00 O ATOM 0 H GLY A 31 3.818 0.631 14.939 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.538 -1.520 15.368 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.371 -0.999 16.819 1.00 0.00 H new ATOM 487 N TYR A 32 2.354 -0.376 17.419 1.00 0.00 N ATOM 488 CA TYR A 32 1.168 -0.641 18.249 1.00 0.00 C ATOM 489 C TYR A 32 -0.126 -0.696 17.425 1.00 0.00 C ATOM 490 O TYR A 32 -0.331 0.103 16.511 1.00 0.00 O ATOM 491 CB TYR A 32 1.069 0.408 19.365 1.00 0.00 C ATOM 492 CG TYR A 32 2.131 0.225 20.433 1.00 0.00 C ATOM 493 CD1 TYR A 32 1.946 -0.739 21.445 1.00 0.00 C ATOM 494 CD2 TYR A 32 3.317 0.983 20.397 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.939 -0.940 22.424 1.00 0.00 C ATOM 496 CE2 TYR A 32 4.316 0.788 21.372 1.00 0.00 C ATOM 497 CZ TYR A 32 4.127 -0.176 22.391 1.00 0.00 C ATOM 498 OH TYR A 32 5.089 -0.378 23.335 1.00 0.00 O ATOM 0 H TYR A 32 2.421 0.597 17.121 1.00 0.00 H new ATOM 0 HA TYR A 32 1.289 -1.628 18.695 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.162 1.404 18.932 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.083 0.352 19.825 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.040 -1.326 21.470 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.462 1.717 19.619 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.792 -1.678 23.199 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.224 1.373 21.342 1.00 0.00 H new ATOM 0 HH TYR A 32 5.842 0.227 23.169 1.00 0.00 H new ATOM 508 N VAL A 33 -1.018 -1.629 17.767 1.00 0.00 N ATOM 509 CA VAL A 33 -2.218 -1.958 16.983 1.00 0.00 C ATOM 510 C VAL A 33 -3.462 -2.143 17.848 1.00 0.00 C ATOM 511 O VAL A 33 -3.376 -2.495 19.023 1.00 0.00 O ATOM 512 CB VAL A 33 -2.034 -3.235 16.118 1.00 0.00 C ATOM 513 CG1 VAL A 33 -0.912 -3.086 15.079 1.00 0.00 C ATOM 514 CG2 VAL A 33 -1.767 -4.503 16.952 1.00 0.00 C ATOM 0 H VAL A 33 -0.927 -2.190 18.614 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.361 -1.095 16.332 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.989 -3.352 15.605 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.826 -4.007 14.502 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.144 -2.258 14.409 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.031 -2.887 15.588 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.648 -5.358 16.286 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.857 -4.369 17.537 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.607 -4.680 17.624 1.00 0.00 H new ATOM 524 N ILE A 34 -4.622 -1.935 17.232 1.00 0.00 N ATOM 525 CA ILE A 34 -5.950 -2.271 17.770 1.00 0.00 C ATOM 526 C ILE A 34 -6.494 -3.399 16.894 1.00 0.00 C ATOM 527 O ILE A 34 -6.334 -3.346 15.678 1.00 0.00 O ATOM 528 CB ILE A 34 -6.874 -1.029 17.723 1.00 0.00 C ATOM 529 CG1 ILE A 34 -6.371 0.090 18.658 1.00 0.00 C ATOM 530 CG2 ILE A 34 -8.345 -1.375 18.027 1.00 0.00 C ATOM 531 CD1 ILE A 34 -6.592 -0.142 20.155 1.00 0.00 C ATOM 0 H ILE A 34 -4.672 -1.511 16.306 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.896 -2.585 18.812 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.835 -0.659 16.698 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.304 0.230 18.485 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.864 1.021 18.377 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.949 -0.469 17.981 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.710 -2.092 17.291 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.418 -1.809 19.024 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.200 0.706 20.716 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.659 -0.247 20.353 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.074 -1.051 20.463 1.00 0.00 H new ATOM 543 N HIS A 35 -7.153 -4.404 17.455 1.00 0.00 N ATOM 544 CA HIS A 35 -7.799 -5.457 16.664 1.00 0.00 C ATOM 545 C HIS A 35 -9.058 -5.994 17.360 1.00 0.00 C ATOM 546 O HIS A 35 -9.161 -5.934 18.583 1.00 0.00 O ATOM 547 CB HIS A 35 -6.787 -6.583 16.377 1.00 0.00 C ATOM 548 CG HIS A 35 -6.531 -7.510 17.542 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.035 -8.785 17.691 1.00 0.00 N ATOM 550 CD2 HIS A 35 -5.757 -7.250 18.640 1.00 0.00 C ATOM 551 CE1 HIS A 35 -6.565 -9.281 18.848 1.00 0.00 C ATOM 552 NE2 HIS A 35 -5.778 -8.382 19.465 1.00 0.00 N ATOM 0 H HIS A 35 -7.258 -4.517 18.463 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.125 -5.030 15.715 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.148 -7.172 15.534 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.842 -6.135 16.072 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.654 -9.266 17.039 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.223 -6.332 18.836 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.789 -10.266 19.230 1.00 0.00 H new ATOM 560 N LEU A 36 -9.997 -6.544 16.584 1.00 0.00 N ATOM 561 CA LEU A 36 -11.149 -7.284 17.102 1.00 0.00 C ATOM 562 C LEU A 36 -10.763 -8.764 17.200 1.00 0.00 C ATOM 563 O LEU A 36 -10.494 -9.408 16.185 1.00 0.00 O ATOM 564 CB LEU A 36 -12.354 -6.978 16.183 1.00 0.00 C ATOM 565 CG LEU A 36 -13.732 -7.606 16.490 1.00 0.00 C ATOM 566 CD1 LEU A 36 -13.852 -9.056 16.000 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.102 -7.512 17.974 1.00 0.00 C ATOM 0 H LEU A 36 -9.977 -6.486 15.566 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.444 -6.986 18.108 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.486 -5.896 16.169 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.077 -7.279 15.173 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.449 -7.009 15.926 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.842 -9.442 16.245 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.707 -9.088 14.920 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.093 -9.669 16.487 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.079 -7.968 18.135 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.354 -8.036 18.569 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.136 -6.465 18.275 1.00 0.00 H new ATOM 579 N ALA A 37 -10.724 -9.303 18.418 1.00 0.00 N ATOM 580 CA ALA A 37 -10.589 -10.734 18.678 1.00 0.00 C ATOM 581 C ALA A 37 -11.962 -11.394 18.403 1.00 0.00 C ATOM 582 O ALA A 37 -12.954 -10.962 19.003 1.00 0.00 O ATOM 583 CB ALA A 37 -10.084 -10.923 20.115 1.00 0.00 C ATOM 0 H ALA A 37 -10.787 -8.744 19.269 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.860 -11.216 18.027 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.977 -11.987 20.326 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.118 -10.432 20.229 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.798 -10.484 20.812 1.00 0.00 H new ATOM 589 N PRO A 38 -12.045 -12.393 17.498 1.00 0.00 N ATOM 590 CA PRO A 38 -13.309 -12.925 16.987 1.00 0.00 C ATOM 591 C PRO A 38 -14.144 -13.701 18.025 1.00 0.00 C ATOM 592 O PRO A 38 -13.590 -14.211 19.004 1.00 0.00 O ATOM 593 CB PRO A 38 -12.921 -13.812 15.798 1.00 0.00 C ATOM 594 CG PRO A 38 -11.509 -14.275 16.139 1.00 0.00 C ATOM 595 CD PRO A 38 -10.924 -13.050 16.834 1.00 0.00 C ATOM 0 HA PRO A 38 -13.967 -12.103 16.704 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.603 -14.655 15.688 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.945 -13.257 14.860 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.514 -15.149 16.791 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.943 -14.546 15.247 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.158 -13.338 17.554 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.450 -12.382 16.115 1.00 0.00 H new ATOM 603 N PRO A 39 -15.472 -13.825 17.794 1.00 0.00 N ATOM 604 CA PRO A 39 -16.376 -14.644 18.599 1.00 0.00 C ATOM 605 C PRO A 39 -16.253 -16.138 18.244 1.00 0.00 C ATOM 606 O PRO A 39 -15.643 -16.510 17.238 1.00 0.00 O ATOM 607 CB PRO A 39 -17.774 -14.100 18.288 1.00 0.00 C ATOM 608 CG PRO A 39 -17.669 -13.646 16.834 1.00 0.00 C ATOM 609 CD PRO A 39 -16.210 -13.219 16.686 1.00 0.00 C ATOM 0 HA PRO A 39 -16.145 -14.585 19.663 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.539 -14.866 18.414 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -18.038 -13.274 18.948 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.921 -14.452 16.145 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.350 -12.821 16.623 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.807 -13.549 15.728 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.122 -12.133 16.712 1.00 0.00 H new ATOM 842 N SER A 57 -18.729 -14.048 23.119 1.00 0.00 N ATOM 843 CA SER A 57 -18.539 -12.656 22.677 1.00 0.00 C ATOM 844 C SER A 57 -17.171 -12.396 22.010 1.00 0.00 C ATOM 845 O SER A 57 -16.167 -13.042 22.325 1.00 0.00 O ATOM 846 CB SER A 57 -18.688 -11.690 23.865 1.00 0.00 C ATOM 847 OG SER A 57 -19.835 -11.980 24.650 1.00 0.00 O ATOM 0 HA SER A 57 -19.311 -12.482 21.928 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.797 -11.746 24.491 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.753 -10.667 23.494 1.00 0.00 H new ATOM 0 HG SER A 57 -19.926 -12.951 24.750 1.00 0.00 H new ATOM 853 N ALA A 58 -17.134 -11.404 21.117 1.00 0.00 N ATOM 854 CA ALA A 58 -15.931 -10.819 20.520 1.00 0.00 C ATOM 855 C ALA A 58 -15.460 -9.623 21.372 1.00 0.00 C ATOM 856 O ALA A 58 -16.273 -9.026 22.083 1.00 0.00 O ATOM 857 CB ALA A 58 -16.294 -10.380 19.097 1.00 0.00 C ATOM 0 H ALA A 58 -17.987 -10.964 20.773 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.113 -11.539 20.486 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.420 -9.938 18.619 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.623 -11.245 18.522 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.097 -9.644 19.137 1.00 0.00 H new ATOM 863 N GLU A 59 -14.190 -9.223 21.276 1.00 0.00 N ATOM 864 CA GLU A 59 -13.619 -8.124 22.071 1.00 0.00 C ATOM 865 C GLU A 59 -12.613 -7.300 21.256 1.00 0.00 C ATOM 866 O GLU A 59 -11.747 -7.872 20.599 1.00 0.00 O ATOM 867 CB GLU A 59 -12.951 -8.696 23.337 1.00 0.00 C ATOM 868 CG GLU A 59 -12.457 -7.601 24.294 1.00 0.00 C ATOM 869 CD GLU A 59 -11.938 -8.189 25.617 1.00 0.00 C ATOM 870 OE1 GLU A 59 -10.983 -9.001 25.598 1.00 0.00 O ATOM 871 OE2 GLU A 59 -12.476 -7.833 26.692 1.00 0.00 O ATOM 0 H GLU A 59 -13.520 -9.654 20.640 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.428 -7.453 22.360 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.662 -9.336 23.860 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.110 -9.325 23.046 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.662 -7.030 23.814 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.270 -6.905 24.500 1.00 0.00 H new ATOM 878 N VAL A 60 -12.696 -5.969 21.327 1.00 0.00 N ATOM 879 CA VAL A 60 -11.688 -5.060 20.747 1.00 0.00 C ATOM 880 C VAL A 60 -10.542 -4.870 21.752 1.00 0.00 C ATOM 881 O VAL A 60 -10.778 -4.513 22.908 1.00 0.00 O ATOM 882 CB VAL A 60 -12.278 -3.692 20.350 1.00 0.00 C ATOM 883 CG1 VAL A 60 -11.215 -2.803 19.679 1.00 0.00 C ATOM 884 CG2 VAL A 60 -13.463 -3.829 19.378 1.00 0.00 C ATOM 0 H VAL A 60 -13.465 -5.484 21.789 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.317 -5.519 19.830 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.625 -3.235 21.277 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.659 -1.845 19.410 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.389 -2.638 20.371 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.843 -3.296 18.781 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -13.845 -2.839 19.128 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.132 -4.331 18.469 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -14.253 -4.414 19.848 1.00 0.00 H new ATOM 894 N LYS A 61 -9.305 -5.109 21.308 1.00 0.00 N ATOM 895 CA LYS A 61 -8.097 -5.192 22.142 1.00 0.00 C ATOM 896 C LYS A 61 -6.929 -4.354 21.574 1.00 0.00 C ATOM 897 O LYS A 61 -6.805 -4.199 20.357 1.00 0.00 O ATOM 898 CB LYS A 61 -7.694 -6.681 22.253 1.00 0.00 C ATOM 899 CG LYS A 61 -8.777 -7.548 22.926 1.00 0.00 C ATOM 900 CD LYS A 61 -8.352 -9.015 23.082 1.00 0.00 C ATOM 901 CE LYS A 61 -7.270 -9.179 24.161 1.00 0.00 C ATOM 902 NZ LYS A 61 -6.890 -10.606 24.357 1.00 0.00 N ATOM 0 H LYS A 61 -9.107 -5.256 20.318 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.319 -4.777 23.125 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.490 -7.072 21.256 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.768 -6.760 22.822 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.008 -7.135 23.908 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.693 -7.500 22.336 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.220 -9.620 23.342 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.976 -9.389 22.129 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.388 -8.604 23.880 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.632 -8.767 25.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.158 -10.672 25.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.726 -11.151 24.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.520 -10.992 23.465 1.00 0.00 H new ATOM 916 N ARG A 62 -6.053 -3.837 22.453 1.00 0.00 N ATOM 917 CA ARG A 62 -4.801 -3.129 22.102 1.00 0.00 C ATOM 918 C ARG A 62 -3.583 -4.043 22.330 1.00 0.00 C ATOM 919 O ARG A 62 -3.482 -4.682 23.374 1.00 0.00 O ATOM 920 CB ARG A 62 -4.671 -1.836 22.935 1.00 0.00 C ATOM 921 CG ARG A 62 -3.519 -0.930 22.451 1.00 0.00 C ATOM 922 CD ARG A 62 -3.226 0.244 23.397 1.00 0.00 C ATOM 923 NE ARG A 62 -4.343 1.206 23.492 1.00 0.00 N ATOM 924 CZ ARG A 62 -4.424 2.215 24.357 1.00 0.00 C ATOM 925 NH1 ARG A 62 -3.469 2.460 25.229 1.00 0.00 N ATOM 926 NH2 ARG A 62 -5.478 3.007 24.364 1.00 0.00 N ATOM 0 H ARG A 62 -6.198 -3.900 23.461 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.835 -2.862 21.046 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.608 -1.282 22.887 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.508 -2.097 23.981 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.616 -1.531 22.340 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.765 -0.539 21.464 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.004 -0.145 24.391 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.333 0.766 23.052 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.118 1.087 22.840 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.638 1.869 25.255 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.560 3.241 25.879 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.239 2.849 23.704 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.532 3.778 25.030 1.00 0.00 H new ATOM 940 N GLU A 63 -2.665 -4.091 21.362 1.00 0.00 N ATOM 941 CA GLU A 63 -1.510 -5.004 21.316 1.00 0.00 C ATOM 942 C GLU A 63 -0.370 -4.412 20.468 1.00 0.00 C ATOM 943 O GLU A 63 -0.527 -3.349 19.861 1.00 0.00 O ATOM 944 CB GLU A 63 -1.931 -6.326 20.637 1.00 0.00 C ATOM 945 CG GLU A 63 -3.071 -7.138 21.262 1.00 0.00 C ATOM 946 CD GLU A 63 -2.788 -7.664 22.684 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.606 -7.762 23.096 1.00 0.00 O ATOM 948 OE2 GLU A 63 -3.757 -8.036 23.387 1.00 0.00 O ATOM 0 H GLU A 63 -2.704 -3.471 20.553 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.173 -5.163 22.340 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.212 -6.096 19.609 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.052 -6.969 20.591 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.967 -6.517 21.291 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.292 -7.986 20.614 1.00 0.00 H new ATOM 955 N ARG A 64 0.764 -5.116 20.378 1.00 0.00 N ATOM 956 CA ARG A 64 1.838 -4.814 19.421 1.00 0.00 C ATOM 957 C ARG A 64 1.572 -5.606 18.131 1.00 0.00 C ATOM 958 O ARG A 64 0.975 -6.688 18.173 1.00 0.00 O ATOM 959 CB ARG A 64 3.221 -5.200 19.974 1.00 0.00 C ATOM 960 CG ARG A 64 3.550 -4.604 21.355 1.00 0.00 C ATOM 961 CD ARG A 64 4.880 -5.144 21.901 1.00 0.00 C ATOM 962 NE ARG A 64 4.814 -6.600 22.125 1.00 0.00 N ATOM 963 CZ ARG A 64 5.813 -7.426 22.394 1.00 0.00 C ATOM 964 NH1 ARG A 64 7.041 -6.999 22.606 1.00 0.00 N ATOM 965 NH2 ARG A 64 5.571 -8.717 22.451 1.00 0.00 N ATOM 0 H ARG A 64 0.965 -5.920 20.973 1.00 0.00 H new ATOM 0 HA ARG A 64 1.843 -3.741 19.232 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.281 -6.286 20.038 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.984 -4.880 19.264 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.601 -3.518 21.280 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.747 -4.838 22.054 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.683 -4.918 21.199 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.123 -4.640 22.837 1.00 0.00 H new ATOM 0 HE ARG A 64 3.887 -7.021 22.066 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.248 -6.001 22.566 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.785 -7.666 22.811 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.626 -9.066 22.289 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.328 -9.369 22.657 1.00 0.00 H new ATOM 979 N LEU A 65 2.063 -5.133 16.979 1.00 0.00 N ATOM 980 CA LEU A 65 1.905 -5.822 15.685 1.00 0.00 C ATOM 981 C LEU A 65 2.385 -7.279 15.768 1.00 0.00 C ATOM 982 O LEU A 65 1.638 -8.186 15.408 1.00 0.00 O ATOM 983 CB LEU A 65 2.648 -5.013 14.596 1.00 0.00 C ATOM 984 CG LEU A 65 2.537 -5.601 13.170 1.00 0.00 C ATOM 985 CD1 LEU A 65 1.099 -5.536 12.635 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.464 -4.839 12.213 1.00 0.00 C ATOM 0 H LEU A 65 2.584 -4.258 16.914 1.00 0.00 H new ATOM 0 HA LEU A 65 0.849 -5.871 15.418 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.257 -3.996 14.587 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.702 -4.947 14.867 1.00 0.00 H new ATOM 0 HG LEU A 65 2.834 -6.648 13.227 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.065 -5.959 11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.441 -6.105 13.291 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.769 -4.498 12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.379 -5.260 11.211 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.178 -3.787 12.190 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.494 -4.927 12.557 1.00 0.00 H new ATOM 998 N GLU A 66 3.569 -7.511 16.342 1.00 0.00 N ATOM 999 CA GLU A 66 4.148 -8.851 16.509 1.00 0.00 C ATOM 1000 C GLU A 66 3.275 -9.826 17.323 1.00 0.00 C ATOM 1001 O GLU A 66 3.274 -11.019 17.022 1.00 0.00 O ATOM 1002 CB GLU A 66 5.566 -8.745 17.103 1.00 0.00 C ATOM 1003 CG GLU A 66 5.631 -8.211 18.542 1.00 0.00 C ATOM 1004 CD GLU A 66 7.091 -8.046 18.990 1.00 0.00 C ATOM 1005 OE1 GLU A 66 7.691 -9.026 19.496 1.00 0.00 O ATOM 1006 OE2 GLU A 66 7.648 -6.932 18.838 1.00 0.00 O ATOM 0 H GLU A 66 4.161 -6.766 16.709 1.00 0.00 H new ATOM 0 HA GLU A 66 4.198 -9.286 15.511 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.029 -9.731 17.077 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.164 -8.095 16.463 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.115 -7.253 18.604 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.114 -8.896 19.214 1.00 0.00 H new ATOM 1013 N ASP A 67 2.483 -9.348 18.296 1.00 0.00 N ATOM 1014 CA ASP A 67 1.591 -10.209 19.089 1.00 0.00 C ATOM 1015 C ASP A 67 0.346 -10.608 18.282 1.00 0.00 C ATOM 1016 O ASP A 67 -0.139 -11.736 18.391 1.00 0.00 O ATOM 1017 CB ASP A 67 1.148 -9.492 20.375 1.00 0.00 C ATOM 1018 CG ASP A 67 2.302 -9.118 21.316 1.00 0.00 C ATOM 1019 OD1 ASP A 67 3.125 -9.993 21.680 1.00 0.00 O ATOM 1020 OD2 ASP A 67 2.380 -7.934 21.711 1.00 0.00 O ATOM 0 H ASP A 67 2.443 -8.362 18.554 1.00 0.00 H new ATOM 0 HA ASP A 67 2.150 -11.108 19.348 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.606 -8.586 20.104 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.449 -10.133 20.912 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.150 -9.688 17.447 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.297 -9.907 16.550 1.00 0.00 C ATOM 1027 C VAL A 68 -0.921 -10.767 15.343 1.00 0.00 C ATOM 1028 O VAL A 68 -1.680 -11.652 14.958 1.00 0.00 O ATOM 1029 CB VAL A 68 -1.951 -8.569 16.140 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.125 -8.746 15.171 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.456 -7.862 17.404 1.00 0.00 C ATOM 0 H VAL A 68 0.241 -8.749 17.372 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.047 -10.471 17.105 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.192 -7.981 15.624 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.541 -7.770 14.921 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.776 -9.235 14.262 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.894 -9.359 15.640 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.921 -6.915 17.130 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.189 -8.494 17.906 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.618 -7.674 18.075 1.00 0.00 H new ATOM 1041 N VAL A 69 0.273 -10.562 14.788 1.00 0.00 N ATOM 1042 CA VAL A 69 0.745 -11.281 13.599 1.00 0.00 C ATOM 1043 C VAL A 69 1.276 -12.678 13.955 1.00 0.00 C ATOM 1044 O VAL A 69 1.016 -13.622 13.212 1.00 0.00 O ATOM 1045 CB VAL A 69 1.788 -10.418 12.863 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.482 -11.156 11.714 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.085 -9.169 12.306 1.00 0.00 C ATOM 0 H VAL A 69 0.947 -9.888 15.151 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.094 -11.449 12.924 1.00 0.00 H new ATOM 0 HB VAL A 69 2.562 -10.157 13.585 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.204 -10.492 11.238 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.998 -12.033 12.104 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.739 -11.469 10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.810 -8.547 11.782 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.299 -9.472 11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.647 -8.602 13.127 1.00 0.00 H new ATOM 1057 N GLY A 70 1.992 -12.836 15.079 1.00 0.00 N ATOM 1058 CA GLY A 70 2.439 -14.146 15.587 1.00 0.00 C ATOM 1059 C GLY A 70 3.474 -14.865 14.708 1.00 0.00 C ATOM 1060 O GLY A 70 3.647 -16.076 14.846 1.00 0.00 O ATOM 0 H GLY A 70 2.280 -12.054 15.667 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.863 -14.008 16.582 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.568 -14.792 15.699 1.00 0.00 H new ATOM 1064 N GLY A 71 4.113 -14.144 13.776 1.00 0.00 N ATOM 1065 CA GLY A 71 5.024 -14.686 12.756 1.00 0.00 C ATOM 1066 C GLY A 71 4.336 -15.148 11.461 1.00 0.00 C ATOM 1067 O GLY A 71 5.025 -15.588 10.541 1.00 0.00 O ATOM 0 H GLY A 71 4.007 -13.132 13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.763 -13.925 12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.567 -15.529 13.184 1.00 0.00 H new ATOM 1071 N CYS A 72 3.002 -15.055 11.375 1.00 0.00 N ATOM 1072 CA CYS A 72 2.203 -15.429 10.199 1.00 0.00 C ATOM 1073 C CYS A 72 2.177 -14.323 9.117 1.00 0.00 C ATOM 1074 O CYS A 72 2.818 -13.277 9.249 1.00 0.00 O ATOM 1075 CB CYS A 72 0.786 -15.794 10.686 1.00 0.00 C ATOM 1076 SG CYS A 72 0.863 -17.141 11.909 1.00 0.00 S ATOM 0 H CYS A 72 2.431 -14.707 12.145 1.00 0.00 H new ATOM 0 HA CYS A 72 2.663 -16.288 9.710 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.310 -14.919 11.129 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.170 -16.098 9.839 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.342 -17.525 12.208 1.00 0.00 H new ATOM 1082 N CYS A 73 1.413 -14.547 8.043 1.00 0.00 N ATOM 1083 CA CYS A 73 1.188 -13.568 6.971 1.00 0.00 C ATOM 1084 C CYS A 73 0.254 -12.414 7.398 1.00 0.00 C ATOM 1085 O CYS A 73 -0.587 -12.556 8.286 1.00 0.00 O ATOM 1086 CB CYS A 73 0.655 -14.309 5.728 1.00 0.00 C ATOM 1087 SG CYS A 73 1.841 -15.571 5.168 1.00 0.00 S ATOM 0 H CYS A 73 0.924 -15.429 7.890 1.00 0.00 H new ATOM 0 HA CYS A 73 2.139 -13.091 6.732 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.300 -14.780 5.962 1.00 0.00 H new ATOM 0 HB3 CYS A 73 0.471 -13.595 4.925 1.00 0.00 H new ATOM 0 HG CYS A 73 1.365 -16.180 4.123 1.00 0.00 H new ATOM 1093 N TYR A 74 0.367 -11.286 6.695 1.00 0.00 N ATOM 1094 CA TYR A 74 -0.469 -10.079 6.832 1.00 0.00 C ATOM 1095 C TYR A 74 -0.246 -9.120 5.647 1.00 0.00 C ATOM 1096 O TYR A 74 0.731 -9.280 4.913 1.00 0.00 O ATOM 1097 CB TYR A 74 -0.191 -9.363 8.170 1.00 0.00 C ATOM 1098 CG TYR A 74 1.184 -8.724 8.296 1.00 0.00 C ATOM 1099 CD1 TYR A 74 2.298 -9.512 8.637 1.00 0.00 C ATOM 1100 CD2 TYR A 74 1.352 -7.341 8.076 1.00 0.00 C ATOM 1101 CE1 TYR A 74 3.569 -8.926 8.776 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.620 -6.746 8.213 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.735 -7.537 8.571 1.00 0.00 C ATOM 1104 OH TYR A 74 4.964 -6.971 8.729 1.00 0.00 O ATOM 0 H TYR A 74 1.081 -11.178 5.974 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.513 -10.393 6.826 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.946 -8.590 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.314 -10.082 8.980 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.177 -10.574 8.793 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.502 -6.735 7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.419 -9.538 9.040 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.741 -5.686 8.045 1.00 0.00 H new ATOM 0 HH TYR A 74 4.907 -6.009 8.550 1.00 0.00 H new ATOM 1114 N ARG A 75 -1.101 -8.098 5.492 1.00 0.00 N ATOM 1115 CA ARG A 75 -0.914 -6.974 4.548 1.00 0.00 C ATOM 1116 C ARG A 75 -1.827 -5.782 4.857 1.00 0.00 C ATOM 1117 O ARG A 75 -2.920 -5.981 5.377 1.00 0.00 O ATOM 1118 CB ARG A 75 -1.005 -7.398 3.059 1.00 0.00 C ATOM 1119 CG ARG A 75 -2.403 -7.750 2.526 1.00 0.00 C ATOM 1120 CD ARG A 75 -3.008 -8.985 3.195 1.00 0.00 C ATOM 1121 NE ARG A 75 -4.291 -9.357 2.573 1.00 0.00 N ATOM 1122 CZ ARG A 75 -4.508 -10.159 1.539 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -3.540 -10.759 0.875 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -5.754 -10.343 1.172 1.00 0.00 N ATOM 0 H ARG A 75 -1.964 -8.024 6.030 1.00 0.00 H new ATOM 0 HA ARG A 75 0.111 -6.639 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.602 -6.589 2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.357 -8.262 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.068 -6.900 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.343 -7.919 1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.310 -9.819 3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.159 -8.789 4.256 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.123 -8.943 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.568 -10.616 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.763 -11.366 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.508 -9.877 1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.968 -10.952 0.382 1.00 0.00 H new ATOM 1138 N VAL A 76 -1.417 -4.558 4.520 1.00 0.00 N ATOM 1139 CA VAL A 76 -2.309 -3.376 4.578 1.00 0.00 C ATOM 1140 C VAL A 76 -3.344 -3.490 3.454 1.00 0.00 C ATOM 1141 O VAL A 76 -2.991 -3.800 2.318 1.00 0.00 O ATOM 1142 CB VAL A 76 -1.537 -2.034 4.508 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.475 -0.819 4.386 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -0.674 -1.860 5.770 1.00 0.00 C ATOM 0 H VAL A 76 -0.471 -4.349 4.202 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.811 -3.369 5.545 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.915 -2.075 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.883 0.095 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.072 -0.910 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.135 -0.781 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.134 -0.915 5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.315 -1.860 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.039 -2.681 5.839 1.00 0.00 H new ATOM 1154 N ASN A 77 -4.617 -3.243 3.779 1.00 0.00 N ATOM 1155 CA ASN A 77 -5.740 -3.389 2.852 1.00 0.00 C ATOM 1156 C ASN A 77 -6.908 -2.466 3.253 1.00 0.00 C ATOM 1157 O ASN A 77 -7.948 -2.908 3.741 1.00 0.00 O ATOM 1158 CB ASN A 77 -6.126 -4.880 2.742 1.00 0.00 C ATOM 1159 CG ASN A 77 -7.248 -5.155 1.737 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -7.666 -4.293 0.971 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -7.769 -6.368 1.700 1.00 0.00 N ATOM 0 H ASN A 77 -4.899 -2.931 4.708 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.448 -3.064 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.245 -5.454 2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.434 -5.239 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.514 -6.583 1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.426 -7.090 2.334 1.00 0.00 H new ATOM 1168 N ASN A 78 -6.747 -1.161 3.008 1.00 0.00 N ATOM 1169 CA ASN A 78 -7.783 -0.128 3.154 1.00 0.00 C ATOM 1170 C ASN A 78 -8.823 -0.202 2.009 1.00 0.00 C ATOM 1171 O ASN A 78 -9.028 0.739 1.247 1.00 0.00 O ATOM 1172 CB ASN A 78 -7.103 1.246 3.312 1.00 0.00 C ATOM 1173 CG ASN A 78 -6.786 1.538 4.769 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -5.719 1.229 5.275 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -7.734 2.099 5.499 1.00 0.00 N ATOM 0 H ASN A 78 -5.857 -0.779 2.690 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.366 -0.301 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.185 1.270 2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.754 2.025 2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.576 2.276 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.623 2.355 5.070 1.00 0.00 H new ATOM 1182 N SER A 79 -9.473 -1.360 1.890 1.00 0.00 N ATOM 1183 CA SER A 79 -10.367 -1.778 0.798 1.00 0.00 C ATOM 1184 C SER A 79 -11.356 -0.699 0.328 1.00 0.00 C ATOM 1185 O SER A 79 -11.221 -0.164 -0.773 1.00 0.00 O ATOM 1186 CB SER A 79 -11.100 -3.053 1.242 1.00 0.00 C ATOM 1187 OG SER A 79 -11.703 -2.897 2.525 1.00 0.00 O ATOM 0 H SER A 79 -9.386 -2.085 2.602 1.00 0.00 H new ATOM 0 HA SER A 79 -9.747 -1.966 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.866 -3.306 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.397 -3.886 1.269 1.00 0.00 H new ATOM 0 HG SER A 79 -12.161 -3.727 2.774 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.339 -0.356 1.165 1.00 0.00 N ATOM 1194 CA LEU A 80 -13.381 0.626 0.836 1.00 0.00 C ATOM 1195 C LEU A 80 -12.829 2.055 0.698 1.00 0.00 C ATOM 1196 O LEU A 80 -13.338 2.833 -0.103 1.00 0.00 O ATOM 1197 CB LEU A 80 -14.506 0.567 1.887 1.00 0.00 C ATOM 1198 CG LEU A 80 -15.215 -0.798 2.035 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -16.383 -0.654 3.023 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -15.728 -1.350 0.695 1.00 0.00 C ATOM 0 H LEU A 80 -12.437 -0.755 2.099 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.785 0.360 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.089 0.846 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.254 1.318 1.634 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.481 -1.512 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.888 -1.614 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.002 -0.332 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.089 0.086 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.217 -2.310 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.442 -0.649 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.890 -1.483 0.011 1.00 0.00 H new ATOM 1212 N ASP A 81 -11.751 2.399 1.406 1.00 0.00 N ATOM 1213 CA ASP A 81 -11.105 3.713 1.277 1.00 0.00 C ATOM 1214 C ASP A 81 -10.474 3.889 -0.116 1.00 0.00 C ATOM 1215 O ASP A 81 -10.521 4.971 -0.700 1.00 0.00 O ATOM 1216 CB ASP A 81 -10.051 3.901 2.372 1.00 0.00 C ATOM 1217 CG ASP A 81 -10.547 3.470 3.749 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -11.185 4.301 4.431 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -10.285 2.299 4.127 1.00 0.00 O ATOM 0 H ASP A 81 -11.301 1.781 2.082 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.872 4.478 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.161 3.327 2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.755 4.949 2.409 1.00 0.00 H new ATOM 1224 N HIS A 82 -9.935 2.803 -0.676 1.00 0.00 N ATOM 1225 CA HIS A 82 -9.456 2.741 -2.058 1.00 0.00 C ATOM 1226 C HIS A 82 -10.611 2.687 -3.094 1.00 0.00 C ATOM 1227 O HIS A 82 -10.366 2.903 -4.287 1.00 0.00 O ATOM 1228 CB HIS A 82 -8.505 1.538 -2.208 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.123 1.723 -1.615 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -5.942 1.329 -2.206 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -6.791 2.281 -0.405 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -4.929 1.647 -1.378 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -5.398 2.228 -0.260 1.00 0.00 N ATOM 0 H HIS A 82 -9.817 1.925 -0.171 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.915 3.663 -2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.969 0.669 -1.741 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.399 1.311 -3.269 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.486 2.691 0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.885 1.461 -1.583 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.851 2.563 0.533 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.861 2.445 -2.668 1.00 0.00 N ATOM 1242 CA GLU A 83 -13.049 2.548 -3.524 1.00 0.00 C ATOM 1243 C GLU A 83 -13.603 3.980 -3.573 1.00 0.00 C ATOM 1244 O GLU A 83 -14.027 4.424 -4.643 1.00 0.00 O ATOM 1245 CB GLU A 83 -14.167 1.579 -3.089 1.00 0.00 C ATOM 1246 CG GLU A 83 -13.823 0.097 -3.299 1.00 0.00 C ATOM 1247 CD GLU A 83 -13.691 -0.268 -4.785 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -14.720 -0.287 -5.503 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -12.563 -0.551 -5.252 1.00 0.00 O ATOM 0 H GLU A 83 -12.075 2.170 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.718 2.268 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.388 1.745 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.074 1.814 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.889 -0.132 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.597 -0.521 -2.843 1.00 0.00 H new ATOM 1256 N TYR A 84 -13.589 4.710 -2.449 1.00 0.00 N ATOM 1257 CA TYR A 84 -14.192 6.051 -2.343 1.00 0.00 C ATOM 1258 C TYR A 84 -13.194 7.202 -2.066 1.00 0.00 C ATOM 1259 O TYR A 84 -13.009 8.051 -2.945 1.00 0.00 O ATOM 1260 CB TYR A 84 -15.375 6.083 -1.347 1.00 0.00 C ATOM 1261 CG TYR A 84 -16.123 4.793 -1.051 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -16.734 4.050 -2.080 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -16.252 4.368 0.286 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -17.444 2.872 -1.777 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -16.967 3.200 0.599 1.00 0.00 C ATOM 1266 CZ TYR A 84 -17.561 2.443 -0.435 1.00 0.00 C ATOM 1267 OH TYR A 84 -18.253 1.309 -0.141 1.00 0.00 O ATOM 0 H TYR A 84 -13.158 4.388 -1.583 1.00 0.00 H new ATOM 0 HA TYR A 84 -14.577 6.245 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -14.998 6.470 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.100 6.806 -1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -16.658 4.385 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -15.797 4.945 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -17.899 2.297 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.062 2.882 1.627 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.235 1.157 0.827 1.00 0.00 H new ATOM 1277 N GLN A 85 -12.620 7.312 -0.855 1.00 0.00 N ATOM 1278 CA GLN A 85 -12.323 8.632 -0.266 1.00 0.00 C ATOM 1279 C GLN A 85 -11.023 8.754 0.568 1.00 0.00 C ATOM 1280 O GLN A 85 -10.552 7.759 1.127 1.00 0.00 O ATOM 1281 CB GLN A 85 -13.529 9.016 0.628 1.00 0.00 C ATOM 1282 CG GLN A 85 -13.500 8.546 2.106 1.00 0.00 C ATOM 1283 CD GLN A 85 -13.211 7.060 2.379 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -13.598 6.177 1.632 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -12.523 6.731 3.460 1.00 0.00 N ATOM 0 H GLN A 85 -12.356 6.518 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 85 -12.157 9.301 -1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.621 10.102 0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -14.432 8.617 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.748 9.136 2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -14.464 8.788 2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.192 7.458 4.095 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.323 5.751 3.659 1.00 0.00 H new ATOM 1294 N PRO A 86 -10.478 9.983 0.724 1.00 0.00 N ATOM 1295 CA PRO A 86 -9.410 10.287 1.677 1.00 0.00 C ATOM 1296 C PRO A 86 -10.056 10.543 3.054 1.00 0.00 C ATOM 1297 O PRO A 86 -11.156 11.096 3.129 1.00 0.00 O ATOM 1298 CB PRO A 86 -8.717 11.534 1.120 1.00 0.00 C ATOM 1299 CG PRO A 86 -9.858 12.285 0.434 1.00 0.00 C ATOM 1300 CD PRO A 86 -10.767 11.167 -0.083 1.00 0.00 C ATOM 0 HA PRO A 86 -8.685 9.483 1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.260 12.129 1.911 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.924 11.275 0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.383 12.939 1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.493 12.913 -0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.816 11.449 0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.578 10.971 -1.138 1.00 0.00 H new ATOM 1308 N ARG A 87 -9.399 10.135 4.147 1.00 0.00 N ATOM 1309 CA ARG A 87 -9.985 10.115 5.499 1.00 0.00 C ATOM 1310 C ARG A 87 -9.162 10.916 6.538 1.00 0.00 C ATOM 1311 O ARG A 87 -7.941 11.016 6.390 1.00 0.00 O ATOM 1312 CB ARG A 87 -10.190 8.635 5.895 1.00 0.00 C ATOM 1313 CG ARG A 87 -8.888 7.880 6.203 1.00 0.00 C ATOM 1314 CD ARG A 87 -9.143 6.371 6.273 1.00 0.00 C ATOM 1315 NE ARG A 87 -7.914 5.661 6.677 1.00 0.00 N ATOM 1316 CZ ARG A 87 -6.876 5.346 5.906 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -6.843 5.574 4.610 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -5.829 4.786 6.452 1.00 0.00 N ATOM 0 H ARG A 87 -8.434 9.805 4.120 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.946 10.630 5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.838 8.591 6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -10.711 8.123 5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.147 8.094 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.474 8.229 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.942 6.163 6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.479 6.007 5.302 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.853 5.381 7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.640 6.013 4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.020 5.312 4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.816 4.597 7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.025 4.538 5.876 1.00 0.00 H new ATOM 1332 N PRO A 88 -9.788 11.439 7.617 1.00 0.00 N ATOM 1333 CA PRO A 88 -9.104 12.153 8.699 1.00 0.00 C ATOM 1334 C PRO A 88 -8.380 11.153 9.611 1.00 0.00 C ATOM 1335 O PRO A 88 -8.913 10.729 10.630 1.00 0.00 O ATOM 1336 CB PRO A 88 -10.207 12.947 9.413 1.00 0.00 C ATOM 1337 CG PRO A 88 -11.444 12.067 9.238 1.00 0.00 C ATOM 1338 CD PRO A 88 -11.231 11.454 7.856 1.00 0.00 C ATOM 0 HA PRO A 88 -8.326 12.831 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.972 13.105 10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -10.347 13.931 8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.510 11.304 10.013 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.364 12.649 9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.640 10.445 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.743 12.038 7.091 1.00 0.00 H new ATOM 1346 N VAL A 89 -7.162 10.754 9.234 1.00 0.00 N ATOM 1347 CA VAL A 89 -6.405 9.642 9.862 1.00 0.00 C ATOM 1348 C VAL A 89 -6.241 9.778 11.383 1.00 0.00 C ATOM 1349 O VAL A 89 -6.290 8.768 12.079 1.00 0.00 O ATOM 1350 CB VAL A 89 -5.074 9.413 9.098 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -3.909 8.881 9.948 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -5.365 8.461 7.920 1.00 0.00 C ATOM 0 H VAL A 89 -6.655 11.198 8.468 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.002 8.736 9.764 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.728 10.390 8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.027 8.756 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.688 9.589 10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.184 7.920 10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.446 8.281 7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.749 7.515 8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.106 8.913 7.261 1.00 0.00 H new ATOM 1362 N GLU A 90 -6.170 10.997 11.925 1.00 0.00 N ATOM 1363 CA GLU A 90 -6.140 11.223 13.382 1.00 0.00 C ATOM 1364 C GLU A 90 -7.458 10.821 14.072 1.00 0.00 C ATOM 1365 O GLU A 90 -7.443 10.231 15.150 1.00 0.00 O ATOM 1366 CB GLU A 90 -5.741 12.675 13.699 1.00 0.00 C ATOM 1367 CG GLU A 90 -6.726 13.756 13.236 1.00 0.00 C ATOM 1368 CD GLU A 90 -6.166 15.158 13.514 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -6.399 15.704 14.619 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -5.491 15.733 12.625 1.00 0.00 O ATOM 0 H GLU A 90 -6.132 11.854 11.374 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.375 10.566 13.797 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.609 12.768 14.777 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.772 12.873 13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.923 13.643 12.170 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.679 13.631 13.751 1.00 0.00 H new ATOM 1377 N VAL A 91 -8.604 11.049 13.422 1.00 0.00 N ATOM 1378 CA VAL A 91 -9.933 10.624 13.912 1.00 0.00 C ATOM 1379 C VAL A 91 -10.106 9.108 13.751 1.00 0.00 C ATOM 1380 O VAL A 91 -10.704 8.471 14.613 1.00 0.00 O ATOM 1381 CB VAL A 91 -11.077 11.389 13.202 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -12.480 10.925 13.638 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -10.966 12.905 13.440 1.00 0.00 C ATOM 0 H VAL A 91 -8.642 11.540 12.529 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.989 10.869 14.973 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.959 11.164 12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.236 11.500 13.104 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.601 9.866 13.409 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.597 11.080 14.711 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.783 13.414 12.929 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.022 13.111 14.509 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.014 13.266 13.051 1.00 0.00 H new ATOM 1393 N ILE A 92 -9.532 8.503 12.700 1.00 0.00 N ATOM 1394 CA ILE A 92 -9.551 7.035 12.514 1.00 0.00 C ATOM 1395 C ILE A 92 -8.773 6.344 13.651 1.00 0.00 C ATOM 1396 O ILE A 92 -9.280 5.421 14.289 1.00 0.00 O ATOM 1397 CB ILE A 92 -9.002 6.652 11.117 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -9.623 7.444 9.935 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -9.170 5.142 10.858 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -11.117 7.786 9.987 1.00 0.00 C ATOM 0 H ILE A 92 -9.045 9.007 11.959 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.582 6.685 12.559 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.947 6.924 11.151 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.072 8.379 9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.445 6.873 9.024 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.778 4.896 9.871 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.624 4.580 11.616 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.227 4.880 10.903 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.395 8.339 9.090 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.699 6.866 10.041 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -11.320 8.396 10.867 1.00 0.00 H new ATOM 1412 N ILE A 93 -7.573 6.853 13.966 1.00 0.00 N ATOM 1413 CA ILE A 93 -6.761 6.396 15.114 1.00 0.00 C ATOM 1414 C ILE A 93 -7.485 6.668 16.438 1.00 0.00 C ATOM 1415 O ILE A 93 -7.469 5.823 17.323 1.00 0.00 O ATOM 1416 CB ILE A 93 -5.353 7.047 15.063 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -4.555 6.496 13.854 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -4.568 6.815 16.370 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -3.259 7.265 13.563 1.00 0.00 C ATOM 0 H ILE A 93 -7.131 7.600 13.430 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.625 5.316 15.049 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.489 8.122 14.946 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.312 5.450 14.038 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.190 6.525 12.968 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.588 7.286 16.294 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.116 7.250 17.206 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.444 5.745 16.535 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.757 6.820 12.704 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.495 8.307 13.346 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.603 7.215 14.432 1.00 0.00 H new ATOM 1431 N SER A 94 -8.159 7.809 16.574 1.00 0.00 N ATOM 1432 CA SER A 94 -8.907 8.149 17.794 1.00 0.00 C ATOM 1433 C SER A 94 -10.084 7.188 18.029 1.00 0.00 C ATOM 1434 O SER A 94 -10.293 6.736 19.153 1.00 0.00 O ATOM 1435 CB SER A 94 -9.418 9.597 17.745 1.00 0.00 C ATOM 1436 OG SER A 94 -8.358 10.538 17.625 1.00 0.00 O ATOM 0 H SER A 94 -8.205 8.524 15.848 1.00 0.00 H new ATOM 0 HA SER A 94 -8.213 8.047 18.628 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.100 9.711 16.902 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.989 9.809 18.649 1.00 0.00 H new ATOM 0 HG SER A 94 -8.107 10.629 16.682 1.00 0.00 H new ATOM 1442 N SER A 95 -10.817 6.809 16.974 1.00 0.00 N ATOM 1443 CA SER A 95 -11.876 5.795 17.053 1.00 0.00 C ATOM 1444 C SER A 95 -11.321 4.457 17.565 1.00 0.00 C ATOM 1445 O SER A 95 -11.853 3.876 18.513 1.00 0.00 O ATOM 1446 CB SER A 95 -12.553 5.616 15.682 1.00 0.00 C ATOM 1447 OG SER A 95 -13.718 4.814 15.805 1.00 0.00 O ATOM 0 H SER A 95 -10.692 7.198 16.039 1.00 0.00 H new ATOM 0 HA SER A 95 -12.625 6.141 17.765 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.816 6.590 15.270 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.857 5.152 14.984 1.00 0.00 H new ATOM 0 HG SER A 95 -14.036 4.560 14.913 1.00 0.00 H new ATOM 1453 N ALA A 96 -10.187 4.004 17.016 1.00 0.00 N ATOM 1454 CA ALA A 96 -9.525 2.773 17.440 1.00 0.00 C ATOM 1455 C ALA A 96 -9.051 2.840 18.906 1.00 0.00 C ATOM 1456 O ALA A 96 -9.336 1.936 19.695 1.00 0.00 O ATOM 1457 CB ALA A 96 -8.400 2.512 16.430 1.00 0.00 C ATOM 0 H ALA A 96 -9.703 4.488 16.260 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.216 1.930 17.438 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.871 1.599 16.702 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.825 2.401 15.432 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.703 3.350 16.437 1.00 0.00 H new ATOM 1463 N LYS A 97 -8.407 3.942 19.307 1.00 0.00 N ATOM 1464 CA LYS A 97 -7.993 4.192 20.695 1.00 0.00 C ATOM 1465 C LYS A 97 -9.177 4.298 21.680 1.00 0.00 C ATOM 1466 O LYS A 97 -9.011 3.947 22.849 1.00 0.00 O ATOM 1467 CB LYS A 97 -7.120 5.460 20.750 1.00 0.00 C ATOM 1468 CG LYS A 97 -5.708 5.252 20.174 1.00 0.00 C ATOM 1469 CD LYS A 97 -4.890 6.544 20.311 1.00 0.00 C ATOM 1470 CE LYS A 97 -3.447 6.344 19.815 1.00 0.00 C ATOM 1471 NZ LYS A 97 -2.629 7.578 19.991 1.00 0.00 N ATOM 0 H LYS A 97 -8.155 4.696 18.669 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.415 3.327 21.019 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.616 6.259 20.198 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.038 5.791 21.785 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.208 4.438 20.699 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.773 4.962 19.125 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.366 7.341 19.740 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.878 6.861 21.354 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.986 5.520 20.360 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.460 6.062 18.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.663 7.406 19.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.056 8.358 19.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.597 7.832 20.999 1.00 0.00 H new ATOM 1485 N GLU A 98 -10.363 4.724 21.236 1.00 0.00 N ATOM 1486 CA GLU A 98 -11.594 4.719 22.035 1.00 0.00 C ATOM 1487 C GLU A 98 -12.265 3.336 22.111 1.00 0.00 C ATOM 1488 O GLU A 98 -12.850 2.996 23.142 1.00 0.00 O ATOM 1489 CB GLU A 98 -12.593 5.757 21.495 1.00 0.00 C ATOM 1490 CG GLU A 98 -12.208 7.190 21.889 1.00 0.00 C ATOM 1491 CD GLU A 98 -13.257 8.197 21.398 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -14.290 8.372 22.090 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -13.060 8.832 20.336 1.00 0.00 O ATOM 0 H GLU A 98 -10.498 5.089 20.293 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.298 4.984 23.050 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.642 5.681 20.409 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.589 5.532 21.875 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.112 7.259 22.973 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.235 7.438 21.466 1.00 0.00 H new ATOM 1500 N MET A 99 -12.189 2.527 21.045 1.00 0.00 N ATOM 1501 CA MET A 99 -12.917 1.248 20.949 1.00 0.00 C ATOM 1502 C MET A 99 -12.281 0.081 21.713 1.00 0.00 C ATOM 1503 O MET A 99 -13.002 -0.862 22.027 1.00 0.00 O ATOM 1504 CB MET A 99 -13.162 0.856 19.483 1.00 0.00 C ATOM 1505 CG MET A 99 -14.326 1.660 18.889 1.00 0.00 C ATOM 1506 SD MET A 99 -14.890 1.105 17.262 1.00 0.00 S ATOM 1507 CE MET A 99 -15.672 -0.468 17.705 1.00 0.00 C ATOM 0 H MET A 99 -11.622 2.738 20.224 1.00 0.00 H new ATOM 0 HA MET A 99 -13.869 1.437 21.445 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.258 1.032 18.899 1.00 0.00 H new ATOM 0 HB3 MET A 99 -13.381 -0.210 19.419 1.00 0.00 H new ATOM 0 HG2 MET A 99 -15.167 1.618 19.582 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.025 2.705 18.815 1.00 0.00 H new ATOM 0 HE1 MET A 99 -16.377 -0.756 16.925 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.908 -1.239 17.806 1.00 0.00 H new ATOM 0 HE3 MET A 99 -16.202 -0.357 18.651 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.990 0.116 22.057 1.00 0.00 N ATOM 1518 CA VAL A 100 -10.407 -0.889 22.974 1.00 0.00 C ATOM 1519 C VAL A 100 -11.218 -0.980 24.276 1.00 0.00 C ATOM 1520 O VAL A 100 -11.456 0.018 24.956 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.896 -0.715 23.238 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -8.475 0.713 23.609 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.381 -1.710 24.292 1.00 0.00 C ATOM 0 H VAL A 100 -10.329 0.817 21.723 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.481 -1.844 22.454 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.427 -0.932 22.278 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.398 0.743 23.777 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.735 1.392 22.796 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.993 1.020 24.518 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.314 -1.554 24.448 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.912 -1.553 25.231 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.552 -2.729 23.945 1.00 0.00 H new ATOM 1533 N GLY A 101 -11.663 -2.205 24.580 1.00 0.00 N ATOM 1534 CA GLY A 101 -12.565 -2.536 25.691 1.00 0.00 C ATOM 1535 C GLY A 101 -14.032 -2.718 25.287 1.00 0.00 C ATOM 1536 O GLY A 101 -14.830 -3.147 26.122 1.00 0.00 O ATOM 0 H GLY A 101 -11.394 -3.026 24.038 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.216 -3.453 26.165 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.503 -1.747 26.440 1.00 0.00 H new ATOM 1540 N GLN A 102 -14.405 -2.434 24.032 1.00 0.00 N ATOM 1541 CA GLN A 102 -15.722 -2.760 23.488 1.00 0.00 C ATOM 1542 C GLN A 102 -15.821 -4.259 23.183 1.00 0.00 C ATOM 1543 O GLN A 102 -14.870 -4.895 22.721 1.00 0.00 O ATOM 1544 CB GLN A 102 -16.017 -1.945 22.211 1.00 0.00 C ATOM 1545 CG GLN A 102 -16.186 -0.432 22.439 1.00 0.00 C ATOM 1546 CD GLN A 102 -17.410 -0.090 23.294 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -18.549 -0.142 22.850 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -17.233 0.241 24.559 1.00 0.00 N ATOM 0 H GLN A 102 -13.793 -1.967 23.363 1.00 0.00 H new ATOM 0 HA GLN A 102 -16.465 -2.499 24.241 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -15.206 -2.103 21.500 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -16.925 -2.333 21.750 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.291 -0.041 22.922 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -16.272 0.068 21.474 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.291 0.289 24.946 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.038 0.448 25.149 1.00 0.00 H new ATOM 1557 N LYS A 103 -17.013 -4.807 23.418 1.00 0.00 N ATOM 1558 CA LYS A 103 -17.396 -6.193 23.123 1.00 0.00 C ATOM 1559 C LYS A 103 -18.609 -6.263 22.176 1.00 0.00 C ATOM 1560 O LYS A 103 -19.426 -5.340 22.129 1.00 0.00 O ATOM 1561 CB LYS A 103 -17.698 -6.933 24.442 1.00 0.00 C ATOM 1562 CG LYS A 103 -16.458 -7.100 25.336 1.00 0.00 C ATOM 1563 CD LYS A 103 -16.834 -7.803 26.646 1.00 0.00 C ATOM 1564 CE LYS A 103 -15.597 -7.941 27.542 1.00 0.00 C ATOM 1565 NZ LYS A 103 -15.920 -8.563 28.856 1.00 0.00 N ATOM 0 H LYS A 103 -17.775 -4.275 23.838 1.00 0.00 H new ATOM 0 HA LYS A 103 -16.562 -6.676 22.614 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -18.464 -6.386 24.992 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -18.110 -7.916 24.214 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.698 -7.679 24.811 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -16.023 -6.124 25.551 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -17.607 -7.235 27.164 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -17.251 -8.788 26.433 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.846 -8.544 27.031 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.158 -6.957 27.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.054 -8.636 29.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.617 -7.975 29.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.315 -9.513 28.703 1.00 0.00 H new ATOM 1579 N MET A 104 -18.740 -7.373 21.439 1.00 0.00 N ATOM 1580 CA MET A 104 -19.847 -7.643 20.499 1.00 0.00 C ATOM 1581 C MET A 104 -20.277 -9.116 20.541 1.00 0.00 C ATOM 1582 O MET A 104 -19.535 -9.966 21.024 1.00 0.00 O ATOM 1583 CB MET A 104 -19.437 -7.255 19.066 1.00 0.00 C ATOM 1584 CG MET A 104 -19.176 -5.752 18.889 1.00 0.00 C ATOM 1585 SD MET A 104 -18.969 -5.237 17.164 1.00 0.00 S ATOM 1586 CE MET A 104 -17.369 -6.003 16.815 1.00 0.00 C ATOM 0 H MET A 104 -18.061 -8.133 21.478 1.00 0.00 H new ATOM 0 HA MET A 104 -20.698 -7.036 20.808 1.00 0.00 H new ATOM 0 HB2 MET A 104 -18.538 -7.807 18.792 1.00 0.00 H new ATOM 0 HB3 MET A 104 -20.222 -7.563 18.376 1.00 0.00 H new ATOM 0 HG2 MET A 104 -20.005 -5.196 19.326 1.00 0.00 H new ATOM 0 HG3 MET A 104 -18.280 -5.481 19.448 1.00 0.00 H new ATOM 0 HE1 MET A 104 -17.129 -5.880 15.759 1.00 0.00 H new ATOM 0 HE2 MET A 104 -16.598 -5.526 17.420 1.00 0.00 H new ATOM 0 HE3 MET A 104 -17.414 -7.065 17.055 1.00 0.00 H new ATOM 1596 N LYS A 105 -21.456 -9.434 19.999 1.00 0.00 N ATOM 1597 CA LYS A 105 -22.003 -10.805 19.972 1.00 0.00 C ATOM 1598 C LYS A 105 -22.693 -11.162 18.636 1.00 0.00 C ATOM 1599 O LYS A 105 -22.619 -12.306 18.189 1.00 0.00 O ATOM 1600 CB LYS A 105 -22.988 -10.906 21.160 1.00 0.00 C ATOM 1601 CG LYS A 105 -23.657 -12.282 21.355 1.00 0.00 C ATOM 1602 CD LYS A 105 -22.712 -13.401 21.820 1.00 0.00 C ATOM 1603 CE LYS A 105 -22.246 -13.230 23.277 1.00 0.00 C ATOM 1604 NZ LYS A 105 -23.304 -13.582 24.270 1.00 0.00 N ATOM 0 H LYS A 105 -22.068 -8.745 19.561 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.190 -11.526 20.061 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -22.454 -10.649 22.075 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -23.769 -10.158 21.026 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -24.461 -12.179 22.084 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -24.117 -12.583 20.414 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -23.217 -14.361 21.717 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -21.840 -13.427 21.166 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -21.370 -13.856 23.449 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -21.935 -12.197 23.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -22.935 -13.448 25.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -24.131 -12.968 24.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -23.584 -14.575 24.142 1.00 0.00 H new ATOM 1618 N TYR A 106 -23.376 -10.199 18.010 1.00 0.00 N ATOM 1619 CA TYR A 106 -24.248 -10.419 16.846 1.00 0.00 C ATOM 1620 C TYR A 106 -23.495 -10.628 15.511 1.00 0.00 C ATOM 1621 O TYR A 106 -22.389 -10.118 15.320 1.00 0.00 O ATOM 1622 CB TYR A 106 -25.232 -9.240 16.760 1.00 0.00 C ATOM 1623 CG TYR A 106 -26.292 -9.382 15.680 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -27.321 -10.335 15.828 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -26.222 -8.602 14.510 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -28.277 -10.508 14.810 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -27.175 -8.773 13.487 1.00 0.00 C ATOM 1628 CZ TYR A 106 -28.209 -9.726 13.636 1.00 0.00 C ATOM 1629 OH TYR A 106 -29.136 -9.893 12.653 1.00 0.00 O ATOM 0 H TYR A 106 -23.339 -9.223 18.303 1.00 0.00 H new ATOM 0 HA TYR A 106 -24.778 -11.359 17.000 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -25.727 -9.125 17.724 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.668 -8.325 16.580 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -27.375 -10.934 16.725 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.435 -7.871 14.397 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -29.063 -11.239 14.927 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -27.116 -8.176 12.589 1.00 0.00 H new ATOM 0 HH TYR A 106 -28.945 -9.277 11.915 1.00 0.00 H new ATOM 1639 N SER A 107 -24.139 -11.337 14.577 1.00 0.00 N ATOM 1640 CA SER A 107 -23.726 -11.553 13.175 1.00 0.00 C ATOM 1641 C SER A 107 -22.608 -12.606 13.010 1.00 0.00 C ATOM 1642 O SER A 107 -22.105 -13.179 13.980 1.00 0.00 O ATOM 1643 CB SER A 107 -23.375 -10.221 12.481 1.00 0.00 C ATOM 1644 OG SER A 107 -23.480 -10.347 11.070 1.00 0.00 O ATOM 0 H SER A 107 -25.019 -11.807 14.788 1.00 0.00 H new ATOM 0 HA SER A 107 -24.593 -11.977 12.669 1.00 0.00 H new ATOM 0 HB2 SER A 107 -24.044 -9.435 12.832 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.362 -9.921 12.750 1.00 0.00 H new ATOM 0 HG SER A 107 -23.255 -9.492 10.648 1.00 0.00 H new ATOM 1650 N ILE A 108 -22.226 -12.879 11.757 1.00 0.00 N ATOM 1651 CA ILE A 108 -21.142 -13.809 11.393 1.00 0.00 C ATOM 1652 C ILE A 108 -19.765 -13.143 11.535 1.00 0.00 C ATOM 1653 O ILE A 108 -19.643 -11.939 11.323 1.00 0.00 O ATOM 1654 CB ILE A 108 -21.367 -14.400 9.975 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -21.450 -13.309 8.880 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -22.621 -15.294 9.992 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -21.548 -13.862 7.453 1.00 0.00 C ATOM 0 H ILE A 108 -22.671 -12.450 10.945 1.00 0.00 H new ATOM 0 HA ILE A 108 -21.162 -14.644 12.094 1.00 0.00 H new ATOM 0 HB ILE A 108 -20.499 -15.006 9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -22.318 -12.679 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -20.570 -12.670 8.951 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -22.784 -15.712 8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -22.481 -16.104 10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -23.488 -14.700 10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -21.602 -13.035 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -20.668 -14.468 7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -22.443 -14.477 7.362 1.00 0.00 H new ATOM 1669 N VAL A 109 -18.720 -13.912 11.860 1.00 0.00 N ATOM 1670 CA VAL A 109 -17.367 -13.393 12.185 1.00 0.00 C ATOM 1671 C VAL A 109 -16.782 -12.445 11.125 1.00 0.00 C ATOM 1672 O VAL A 109 -16.153 -11.449 11.480 1.00 0.00 O ATOM 1673 CB VAL A 109 -16.374 -14.541 12.500 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -16.198 -15.539 11.342 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -14.995 -14.016 12.925 1.00 0.00 C ATOM 0 H VAL A 109 -18.781 -14.929 11.908 1.00 0.00 H new ATOM 0 HA VAL A 109 -17.507 -12.790 13.082 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.831 -15.074 13.334 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -15.489 -16.314 11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.159 -15.996 11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.821 -15.015 10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.334 -14.857 13.135 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.571 -13.414 12.121 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -15.099 -13.404 13.821 1.00 0.00 H new ATOM 1685 N SER A 110 -17.019 -12.708 9.835 1.00 0.00 N ATOM 1686 CA SER A 110 -16.555 -11.851 8.735 1.00 0.00 C ATOM 1687 C SER A 110 -17.195 -10.458 8.810 1.00 0.00 C ATOM 1688 O SER A 110 -16.482 -9.458 8.937 1.00 0.00 O ATOM 1689 CB SER A 110 -16.850 -12.538 7.392 1.00 0.00 C ATOM 1690 OG SER A 110 -18.202 -12.975 7.314 1.00 0.00 O ATOM 0 H SER A 110 -17.541 -13.526 9.522 1.00 0.00 H new ATOM 0 HA SER A 110 -15.478 -11.708 8.824 1.00 0.00 H new ATOM 0 HB2 SER A 110 -16.643 -11.846 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.183 -13.391 7.264 1.00 0.00 H new ATOM 0 HG SER A 110 -18.357 -13.406 6.448 1.00 0.00 H new ATOM 1696 N ARG A 111 -18.533 -10.375 8.841 1.00 0.00 N ATOM 1697 CA ARG A 111 -19.235 -9.095 8.992 1.00 0.00 C ATOM 1698 C ARG A 111 -18.973 -8.458 10.355 1.00 0.00 C ATOM 1699 O ARG A 111 -18.801 -7.251 10.420 1.00 0.00 O ATOM 1700 CB ARG A 111 -20.742 -9.233 8.718 1.00 0.00 C ATOM 1701 CG ARG A 111 -21.468 -7.868 8.665 1.00 0.00 C ATOM 1702 CD ARG A 111 -21.093 -7.006 7.450 1.00 0.00 C ATOM 1703 NE ARG A 111 -21.945 -5.806 7.396 1.00 0.00 N ATOM 1704 CZ ARG A 111 -21.833 -4.791 6.547 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -20.873 -4.729 5.648 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.702 -3.803 6.597 1.00 0.00 N ATOM 0 H ARG A 111 -19.151 -11.183 8.763 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.828 -8.422 8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -20.889 -9.755 7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -21.193 -9.850 9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -22.544 -8.041 8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.242 -7.312 9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.045 -6.714 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.209 -7.585 6.534 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.699 -5.749 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.183 -5.477 5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.820 -3.933 5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.455 -3.820 7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.622 -3.020 5.948 1.00 0.00 H new ATOM 1720 N ASN A 112 -18.860 -9.232 11.428 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.547 -8.726 12.774 1.00 0.00 C ATOM 1722 C ASN A 112 -17.211 -7.945 12.795 1.00 0.00 C ATOM 1723 O ASN A 112 -17.137 -6.854 13.355 1.00 0.00 O ATOM 1724 CB ASN A 112 -18.577 -9.915 13.748 1.00 0.00 C ATOM 1725 CG ASN A 112 -18.493 -9.480 15.204 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -17.415 -9.271 15.739 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.613 -9.317 15.881 1.00 0.00 N ATOM 0 H ASN A 112 -18.984 -10.244 11.395 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.295 -8.000 13.091 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -19.495 -10.483 13.594 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.747 -10.585 13.524 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.581 -9.015 16.855 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.511 -9.493 15.431 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.187 -8.444 12.089 1.00 0.00 N ATOM 1735 CA CYS A 113 -14.888 -7.771 11.924 1.00 0.00 C ATOM 1736 C CYS A 113 -14.944 -6.618 10.889 1.00 0.00 C ATOM 1737 O CYS A 113 -14.429 -5.532 11.147 1.00 0.00 O ATOM 1738 CB CYS A 113 -13.848 -8.866 11.601 1.00 0.00 C ATOM 1739 SG CYS A 113 -12.221 -8.389 12.263 1.00 0.00 S ATOM 0 H CYS A 113 -16.237 -9.342 11.608 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.594 -7.263 12.843 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.162 -9.816 12.033 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.783 -9.012 10.523 1.00 0.00 H new ATOM 0 HG CYS A 113 -11.918 -9.159 13.266 1.00 0.00 H new ATOM 1745 N GLU A 114 -15.621 -6.807 9.751 1.00 0.00 N ATOM 1746 CA GLU A 114 -15.831 -5.767 8.725 1.00 0.00 C ATOM 1747 C GLU A 114 -16.608 -4.553 9.278 1.00 0.00 C ATOM 1748 O GLU A 114 -16.224 -3.402 9.073 1.00 0.00 O ATOM 1749 CB GLU A 114 -16.558 -6.398 7.525 1.00 0.00 C ATOM 1750 CG GLU A 114 -16.696 -5.455 6.327 1.00 0.00 C ATOM 1751 CD GLU A 114 -17.409 -6.168 5.170 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -18.647 -6.350 5.252 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -16.738 -6.545 4.181 1.00 0.00 O ATOM 0 H GLU A 114 -16.048 -7.701 9.508 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.861 -5.385 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.018 -7.292 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -17.551 -6.719 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.257 -4.567 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.711 -5.119 6.004 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.670 -4.797 10.042 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.449 -3.776 10.736 1.00 0.00 C ATOM 1762 C HIS A 115 -17.551 -3.008 11.733 1.00 0.00 C ATOM 1763 O HIS A 115 -17.513 -1.778 11.709 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.653 -4.458 11.408 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.664 -3.515 12.013 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.294 -2.463 11.380 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -21.214 -3.621 13.263 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.194 -1.946 12.234 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.168 -2.605 13.405 1.00 0.00 N ATOM 0 H HIS A 115 -18.023 -5.741 10.200 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.831 -3.032 10.037 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.157 -5.082 10.670 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.285 -5.123 12.190 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.957 -4.359 14.009 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.848 -1.116 12.010 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -22.731 -2.405 14.232 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.741 -3.729 12.525 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.699 -3.165 13.389 1.00 0.00 C ATOM 1779 C PHE A 116 -14.746 -2.238 12.620 1.00 0.00 C ATOM 1780 O PHE A 116 -14.634 -1.074 13.000 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.960 -4.297 14.128 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.507 -4.013 14.469 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.200 -3.178 15.559 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.462 -4.569 13.699 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -11.860 -2.901 15.884 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.122 -4.295 14.028 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.821 -3.463 15.120 1.00 0.00 C ATOM 0 H PHE A 116 -16.797 -4.746 12.581 1.00 0.00 H new ATOM 0 HA PHE A 116 -16.177 -2.533 14.137 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.496 -4.516 15.051 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.002 -5.197 13.514 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.996 -2.748 16.148 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.692 -5.205 12.857 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.629 -2.257 16.720 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.324 -4.724 13.441 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.792 -3.255 15.373 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.108 -2.679 11.526 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.227 -1.745 10.786 1.00 0.00 C ATOM 1799 C VAL A 117 -13.992 -0.580 10.160 1.00 0.00 C ATOM 1800 O VAL A 117 -13.430 0.507 10.095 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.286 -2.365 9.734 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.095 -3.024 10.426 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.955 -3.322 8.744 1.00 0.00 C ATOM 0 H VAL A 117 -14.173 -3.623 11.144 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.576 -1.383 11.582 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.947 -1.535 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.434 -3.460 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.548 -2.276 11.000 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.451 -3.807 11.096 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.209 -3.704 8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.403 -4.154 9.288 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.730 -2.791 8.192 1.00 0.00 H new ATOM 1813 N THR A 118 -15.267 -0.744 9.778 1.00 0.00 N ATOM 1814 CA THR A 118 -16.103 0.382 9.308 1.00 0.00 C ATOM 1815 C THR A 118 -16.342 1.379 10.439 1.00 0.00 C ATOM 1816 O THR A 118 -16.238 2.565 10.176 1.00 0.00 O ATOM 1817 CB THR A 118 -17.421 -0.072 8.674 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.213 -1.192 7.834 1.00 0.00 O ATOM 1819 CG2 THR A 118 -18.008 1.017 7.771 1.00 0.00 C ATOM 0 H THR A 118 -15.746 -1.644 9.784 1.00 0.00 H new ATOM 0 HA THR A 118 -15.546 0.880 8.514 1.00 0.00 H new ATOM 0 HB THR A 118 -18.092 -0.304 9.501 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.010 -1.979 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.943 0.664 7.336 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.198 1.915 8.360 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.302 1.248 6.974 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.545 0.949 11.689 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.562 1.837 12.857 1.00 0.00 C ATOM 1829 C GLN A 119 -15.222 2.577 13.080 1.00 0.00 C ATOM 1830 O GLN A 119 -15.221 3.685 13.625 1.00 0.00 O ATOM 1831 CB GLN A 119 -16.940 1.038 14.119 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.437 1.035 14.427 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.286 0.140 13.530 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.709 0.510 12.443 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.622 -1.044 13.996 1.00 0.00 N ATOM 0 H GLN A 119 -16.703 -0.032 11.920 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.312 2.602 12.659 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.602 0.009 14.000 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.404 1.453 14.973 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.578 0.722 15.462 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.809 2.057 14.349 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -19.270 -1.354 14.902 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -20.234 -1.652 13.451 1.00 0.00 H new ATOM 1844 N LEU A 120 -14.086 2.017 12.639 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.800 2.725 12.658 1.00 0.00 C ATOM 1846 C LEU A 120 -12.726 3.791 11.550 1.00 0.00 C ATOM 1847 O LEU A 120 -12.573 4.971 11.864 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.613 1.741 12.628 1.00 0.00 C ATOM 1849 CG LEU A 120 -11.631 0.667 13.739 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.302 -0.088 13.726 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -11.860 1.263 15.132 1.00 0.00 C ATOM 0 H LEU A 120 -14.033 1.070 12.263 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.727 3.263 13.603 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.599 1.241 11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.686 2.309 12.707 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.464 -0.005 13.532 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.307 -0.848 14.508 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.165 -0.566 12.756 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.485 0.611 13.905 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.863 0.464 15.874 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.061 1.968 15.362 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.819 1.781 15.153 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.897 3.407 10.271 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.922 4.330 9.111 1.00 0.00 C ATOM 1865 C ARG A 121 -14.242 5.111 8.942 1.00 0.00 C ATOM 1866 O ARG A 121 -14.461 5.764 7.919 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.448 3.639 7.816 1.00 0.00 C ATOM 1868 CG ARG A 121 -13.327 2.475 7.332 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.832 1.939 5.989 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.375 0.593 5.719 1.00 0.00 N ATOM 1871 CZ ARG A 121 -12.757 -0.390 5.079 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -11.602 -0.215 4.468 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -13.302 -1.587 5.036 1.00 0.00 N ATOM 0 H ARG A 121 -13.024 2.430 10.006 1.00 0.00 H new ATOM 0 HA ARG A 121 -12.192 5.106 9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -12.395 4.386 7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -11.435 3.267 7.972 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -13.318 1.675 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -14.360 2.810 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -13.128 2.620 5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.743 1.901 5.989 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.318 0.400 6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -11.154 0.701 4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -11.157 -0.996 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -14.197 -1.756 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -12.829 -2.345 4.544 1.00 0.00 H new ATOM 1887 N TYR A 122 -15.113 5.084 9.951 1.00 0.00 N ATOM 1888 CA TYR A 122 -16.433 5.730 9.979 1.00 0.00 C ATOM 1889 C TYR A 122 -16.350 7.257 9.750 1.00 0.00 C ATOM 1890 O TYR A 122 -17.303 7.886 9.289 1.00 0.00 O ATOM 1891 CB TYR A 122 -17.055 5.476 11.363 1.00 0.00 C ATOM 1892 CG TYR A 122 -18.560 5.642 11.427 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -19.396 4.573 11.047 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -19.130 6.847 11.885 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -20.796 4.708 11.110 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -20.528 6.988 11.948 1.00 0.00 C ATOM 1897 CZ TYR A 122 -21.368 5.919 11.561 1.00 0.00 C ATOM 1898 OH TYR A 122 -22.722 6.057 11.631 1.00 0.00 O ATOM 0 H TYR A 122 -14.910 4.586 10.818 1.00 0.00 H new ATOM 0 HA TYR A 122 -17.035 5.309 9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -16.802 4.464 11.678 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -16.598 6.157 12.081 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -18.961 3.645 10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -18.492 7.664 12.188 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -21.432 3.887 10.814 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -20.961 7.915 12.293 1.00 0.00 H new ATOM 0 HH TYR A 122 -22.943 6.952 11.963 1.00 0.00 H new ATOM 1908 N GLY A 123 -15.176 7.835 10.066 1.00 0.00 N ATOM 1909 CA GLY A 123 -14.849 9.268 10.004 1.00 0.00 C ATOM 1910 C GLY A 123 -15.049 9.927 8.635 1.00 0.00 C ATOM 1911 O GLY A 123 -15.223 11.142 8.567 1.00 0.00 O ATOM 0 H GLY A 123 -14.385 7.279 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -15.461 9.795 10.736 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.809 9.400 10.304 1.00 0.00 H new ATOM 1915 N LYS A 124 -15.045 9.140 7.550 1.00 0.00 N ATOM 1916 CA LYS A 124 -15.324 9.630 6.186 1.00 0.00 C ATOM 1917 C LYS A 124 -16.044 8.617 5.262 1.00 0.00 C ATOM 1918 O LYS A 124 -16.493 9.009 4.184 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.991 10.130 5.576 1.00 0.00 C ATOM 1920 CG LYS A 124 -14.003 11.619 5.176 1.00 0.00 C ATOM 1921 CD LYS A 124 -14.895 11.917 3.958 1.00 0.00 C ATOM 1922 CE LYS A 124 -14.736 13.363 3.457 1.00 0.00 C ATOM 1923 NZ LYS A 124 -15.315 14.371 4.390 1.00 0.00 N ATOM 0 H LYS A 124 -14.848 8.140 7.590 1.00 0.00 H new ATOM 0 HA LYS A 124 -16.043 10.445 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -13.189 9.964 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.758 9.530 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -14.347 12.212 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -12.984 11.937 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -14.648 11.226 3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -15.937 11.739 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -13.677 13.577 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -15.217 13.459 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -15.178 15.325 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -16.332 14.189 4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -14.840 14.303 5.313 1.00 0.00 H new ATOM 1937 N SER A 125 -16.157 7.340 5.659 1.00 0.00 N ATOM 1938 CA SER A 125 -16.824 6.273 4.879 1.00 0.00 C ATOM 1939 C SER A 125 -18.340 6.490 4.747 1.00 0.00 C ATOM 1940 O SER A 125 -18.866 6.331 3.621 1.00 0.00 O ATOM 1941 CB SER A 125 -16.562 4.892 5.481 1.00 0.00 C ATOM 1942 OG SER A 125 -15.169 4.651 5.504 1.00 0.00 O ATOM 1943 OXT SER A 125 -19.005 6.800 5.767 1.00 0.00 O ATOM 0 H SER A 125 -15.782 7.009 6.548 1.00 0.00 H new ATOM 0 HA SER A 125 -16.388 6.322 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.969 4.839 6.491 1.00 0.00 H new ATOM 0 HB3 SER A 125 -17.066 4.125 4.894 1.00 0.00 H new ATOM 0 HG SER A 125 -14.804 4.923 6.372 1.00 0.00 H new