USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 769 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 27 GLN : amide:sc= -0.879 K(o=-2.5,f=-3.7) USER MOD Set 1.2: A 95 GLN : amide:sc= -1.61! C(o=-2.5!,f=-3.7!) USER MOD Single : A 3 SER OG : rot -37:sc= 0.892 USER MOD Single : A 7 MET CE :methyl 157:sc= -0.172 (180deg=-0.813) USER MOD Single : A 11 THR OG1 : rot 75:sc= 1.3 USER MOD Single : A 13 MET CE :methyl 161:sc= -0.417 (180deg=-0.838) USER MOD Single : A 14 MET CE :methyl -158:sc= -0.257 (180deg=-1.03) USER MOD Single : A 17 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 19 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 20 MET CE :methyl -162:sc= -0.104 (180deg=-0.592) USER MOD Single : A 26 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.45) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 57 SER OG : rot 84:sc= 0.161 USER MOD Single : A 63 GLN : amide:sc= -2.86 K(o=-2.9,f=-0.89) USER MOD Single : A 68 CYS SG : rot 82:sc= -2.33! USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0.727 (180deg=0.308) USER MOD Single : A 72 HIS : no HD1:sc= 0.585 K(o=0.58,f=-5.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -160:sc= -1.54 USER MOD Single : A 85 GLN : amide:sc= -1.58! C(o=-1.6!,f=-6.1!) USER MOD Single : A 90 GLN : amide:sc= -4.01! K(o=-4!,f=-0.82) USER MOD Single : A 98 SER OG : rot 85:sc= 0.806 USER MOD Single : A 99 GLN : amide:sc= -0.661! K(o=-0.66!,f=-0.051) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.27) USER MOD Single : A 112 MET CE :methyl 143:sc= -1.3 (180deg=-3.45!) USER MOD Single : A 113 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0.129!) USER MOD Single : A 114 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.3) USER MOD Single : A 119 HIS : no HD1:sc= 0.157 K(o=0.16,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -22.679 3.753 -3.262 1.00 0.00 N ATOM 38 CA SER A 3 -22.543 3.887 -1.836 1.00 0.00 C ATOM 39 C SER A 3 -21.141 4.387 -1.478 1.00 0.00 C ATOM 40 O SER A 3 -20.212 4.275 -2.286 1.00 0.00 O ATOM 41 CB SER A 3 -22.836 2.539 -1.157 1.00 0.00 C ATOM 42 OG SER A 3 -21.980 1.507 -1.639 1.00 0.00 O ATOM 0 HA SER A 3 -23.263 4.622 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.712 2.640 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.875 2.261 -1.333 1.00 0.00 H new ATOM 0 HG SER A 3 -21.824 1.633 -2.598 1.00 0.00 H new ATOM 48 N PRO A 4 -20.964 4.957 -0.263 1.00 0.00 N ATOM 49 CA PRO A 4 -19.653 5.427 0.208 1.00 0.00 C ATOM 50 C PRO A 4 -18.620 4.299 0.218 1.00 0.00 C ATOM 51 O PRO A 4 -17.412 4.547 0.216 1.00 0.00 O ATOM 52 CB PRO A 4 -19.932 5.902 1.639 1.00 0.00 C ATOM 53 CG PRO A 4 -21.389 6.199 1.663 1.00 0.00 C ATOM 54 CD PRO A 4 -22.025 5.212 0.730 1.00 0.00 C ATOM 0 HA PRO A 4 -19.239 6.203 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.673 5.135 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.344 6.786 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.791 6.099 2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.584 7.222 1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.319 4.299 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.923 5.618 0.265 1.00 0.00 H new ATOM 62 N ALA A 5 -19.119 3.060 0.216 1.00 0.00 N ATOM 63 CA ALA A 5 -18.280 1.873 0.204 1.00 0.00 C ATOM 64 C ALA A 5 -17.368 1.852 -1.020 1.00 0.00 C ATOM 65 O ALA A 5 -16.238 1.378 -0.949 1.00 0.00 O ATOM 66 CB ALA A 5 -19.145 0.623 0.240 1.00 0.00 C ATOM 0 H ALA A 5 -20.119 2.858 0.223 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.648 1.895 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.507 -0.261 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.750 0.625 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.799 0.608 -0.632 1.00 0.00 H new ATOM 72 N GLU A 6 -17.858 2.373 -2.138 1.00 0.00 N ATOM 73 CA GLU A 6 -17.063 2.430 -3.356 1.00 0.00 C ATOM 74 C GLU A 6 -15.972 3.472 -3.212 1.00 0.00 C ATOM 75 O GLU A 6 -14.794 3.203 -3.465 1.00 0.00 O ATOM 76 CB GLU A 6 -17.942 2.753 -4.580 1.00 0.00 C ATOM 77 CG GLU A 6 -18.842 1.608 -5.048 1.00 0.00 C ATOM 78 CD GLU A 6 -19.940 1.257 -4.063 1.00 0.00 C ATOM 79 OE1 GLU A 6 -21.063 1.791 -4.196 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.696 0.437 -3.167 1.00 0.00 O ATOM 0 H GLU A 6 -18.798 2.760 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.610 1.451 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.568 3.613 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.295 3.048 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.294 1.879 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.229 0.724 -5.226 1.00 0.00 H new ATOM 87 N MET A 7 -16.383 4.654 -2.797 1.00 0.00 N ATOM 88 CA MET A 7 -15.480 5.784 -2.579 1.00 0.00 C ATOM 89 C MET A 7 -14.299 5.397 -1.692 1.00 0.00 C ATOM 90 O MET A 7 -13.136 5.641 -2.043 1.00 0.00 O ATOM 91 CB MET A 7 -16.243 6.947 -1.940 1.00 0.00 C ATOM 92 CG MET A 7 -15.403 8.195 -1.711 1.00 0.00 C ATOM 93 SD MET A 7 -16.315 9.501 -0.860 1.00 0.00 S ATOM 94 CE MET A 7 -16.678 8.702 0.706 1.00 0.00 C ATOM 0 H MET A 7 -17.361 4.866 -2.598 1.00 0.00 H new ATOM 0 HA MET A 7 -15.089 6.088 -3.550 1.00 0.00 H new ATOM 0 HB2 MET A 7 -17.090 7.205 -2.577 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.651 6.617 -0.985 1.00 0.00 H new ATOM 0 HG2 MET A 7 -14.521 7.933 -1.126 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.049 8.571 -2.671 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.857 9.460 1.468 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.565 8.078 0.599 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.832 8.082 1.003 1.00 0.00 H new ATOM 104 N VAL A 8 -14.591 4.784 -0.551 1.00 0.00 N ATOM 105 CA VAL A 8 -13.544 4.394 0.378 1.00 0.00 C ATOM 106 C VAL A 8 -12.692 3.256 -0.190 1.00 0.00 C ATOM 107 O VAL A 8 -11.479 3.244 -0.021 1.00 0.00 O ATOM 108 CB VAL A 8 -14.101 4.006 1.780 1.00 0.00 C ATOM 109 CG1 VAL A 8 -14.863 5.171 2.392 1.00 0.00 C ATOM 110 CG2 VAL A 8 -14.989 2.771 1.709 1.00 0.00 C ATOM 0 H VAL A 8 -15.537 4.549 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.912 5.272 0.512 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.250 3.767 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.245 4.882 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.195 6.026 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.696 5.442 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.359 2.531 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.832 2.967 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.412 1.930 1.324 1.00 0.00 H new ATOM 120 N LEU A 9 -13.328 2.334 -0.904 1.00 0.00 N ATOM 121 CA LEU A 9 -12.633 1.193 -1.482 1.00 0.00 C ATOM 122 C LEU A 9 -11.568 1.662 -2.469 1.00 0.00 C ATOM 123 O LEU A 9 -10.442 1.168 -2.459 1.00 0.00 O ATOM 124 CB LEU A 9 -13.643 0.252 -2.160 1.00 0.00 C ATOM 125 CG LEU A 9 -13.145 -1.154 -2.520 1.00 0.00 C ATOM 126 CD1 LEU A 9 -14.315 -2.120 -2.547 1.00 0.00 C ATOM 127 CD2 LEU A 9 -12.439 -1.155 -3.872 1.00 0.00 C ATOM 0 H LEU A 9 -14.329 2.356 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.131 0.641 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.506 0.149 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.994 0.732 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.429 -1.470 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.958 -3.117 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.789 -2.145 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.040 -1.792 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.096 -2.164 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.132 -0.822 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.584 -0.480 -3.836 1.00 0.00 H new ATOM 139 N GLU A 10 -11.919 2.638 -3.300 1.00 0.00 N ATOM 140 CA GLU A 10 -10.988 3.189 -4.259 1.00 0.00 C ATOM 141 C GLU A 10 -9.871 3.912 -3.539 1.00 0.00 C ATOM 142 O GLU A 10 -8.747 3.918 -3.987 1.00 0.00 O ATOM 143 CB GLU A 10 -11.696 4.149 -5.219 1.00 0.00 C ATOM 144 CG GLU A 10 -12.775 3.497 -6.068 1.00 0.00 C ATOM 145 CD GLU A 10 -13.347 4.444 -7.100 1.00 0.00 C ATOM 146 OE1 GLU A 10 -14.371 5.104 -6.815 1.00 0.00 O ATOM 147 OE2 GLU A 10 -12.778 4.536 -8.205 1.00 0.00 O ATOM 0 H GLU A 10 -12.847 3.060 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.570 2.367 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.143 4.958 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.954 4.600 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.360 2.624 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.577 3.141 -5.421 1.00 0.00 H new ATOM 154 N THR A 11 -10.202 4.507 -2.407 1.00 0.00 N ATOM 155 CA THR A 11 -9.225 5.223 -1.602 1.00 0.00 C ATOM 156 C THR A 11 -8.162 4.259 -1.045 1.00 0.00 C ATOM 157 O THR A 11 -6.961 4.539 -1.102 1.00 0.00 O ATOM 158 CB THR A 11 -9.902 5.987 -0.444 1.00 0.00 C ATOM 159 OG1 THR A 11 -10.971 6.799 -0.959 1.00 0.00 O ATOM 160 CG2 THR A 11 -8.899 6.879 0.269 1.00 0.00 C ATOM 0 H THR A 11 -11.146 4.509 -2.021 1.00 0.00 H new ATOM 0 HA THR A 11 -8.736 5.949 -2.252 1.00 0.00 H new ATOM 0 HB THR A 11 -10.296 5.259 0.265 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.735 6.229 -1.185 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.396 7.409 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.092 6.268 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.488 7.601 -0.437 1.00 0.00 H new ATOM 168 N LEU A 12 -8.605 3.107 -0.558 1.00 0.00 N ATOM 169 CA LEU A 12 -7.684 2.117 -0.011 1.00 0.00 C ATOM 170 C LEU A 12 -6.933 1.424 -1.131 1.00 0.00 C ATOM 171 O LEU A 12 -5.737 1.161 -1.021 1.00 0.00 O ATOM 172 CB LEU A 12 -8.407 1.081 0.863 1.00 0.00 C ATOM 173 CG LEU A 12 -8.699 1.500 2.312 1.00 0.00 C ATOM 174 CD1 LEU A 12 -9.899 2.414 2.391 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.899 0.283 3.187 1.00 0.00 C ATOM 0 H LEU A 12 -9.588 2.836 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.975 2.646 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.352 0.828 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.806 0.172 0.884 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.835 2.054 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.077 2.691 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.711 3.312 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.775 1.899 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.105 0.600 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.740 -0.301 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.997 -0.329 3.171 1.00 0.00 H new ATOM 187 N MET A 13 -7.632 1.166 -2.227 1.00 0.00 N ATOM 188 CA MET A 13 -7.037 0.518 -3.389 1.00 0.00 C ATOM 189 C MET A 13 -6.127 1.461 -4.136 1.00 0.00 C ATOM 190 O MET A 13 -5.321 1.043 -4.947 1.00 0.00 O ATOM 191 CB MET A 13 -8.109 -0.045 -4.315 1.00 0.00 C ATOM 192 CG MET A 13 -8.697 -1.336 -3.805 1.00 0.00 C ATOM 193 SD MET A 13 -7.459 -2.641 -3.710 1.00 0.00 S ATOM 194 CE MET A 13 -8.192 -3.700 -2.479 1.00 0.00 C ATOM 0 H MET A 13 -8.619 1.397 -2.337 1.00 0.00 H new ATOM 0 HA MET A 13 -6.433 -0.314 -3.026 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.905 0.691 -4.433 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.680 -0.211 -5.303 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.131 -1.173 -2.818 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.508 -1.651 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.747 -4.693 -2.542 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.012 -3.284 -1.488 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.266 -3.772 -2.653 1.00 0.00 H new ATOM 204 N MET A 14 -6.242 2.727 -3.836 1.00 0.00 N ATOM 205 CA MET A 14 -5.429 3.740 -4.486 1.00 0.00 C ATOM 206 C MET A 14 -4.089 3.791 -3.794 1.00 0.00 C ATOM 207 O MET A 14 -3.039 3.863 -4.437 1.00 0.00 O ATOM 208 CB MET A 14 -6.114 5.106 -4.416 1.00 0.00 C ATOM 209 CG MET A 14 -5.431 6.200 -5.219 1.00 0.00 C ATOM 210 SD MET A 14 -6.354 7.757 -5.186 1.00 0.00 S ATOM 211 CE MET A 14 -7.920 7.245 -5.910 1.00 0.00 C ATOM 0 H MET A 14 -6.894 3.091 -3.141 1.00 0.00 H new ATOM 0 HA MET A 14 -5.297 3.487 -5.538 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.140 5.001 -4.769 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.166 5.418 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.429 6.366 -4.823 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.315 5.871 -6.252 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.436 8.116 -6.314 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.734 6.529 -6.711 1.00 0.00 H new ATOM 0 HE3 MET A 14 -8.540 6.779 -5.144 1.00 0.00 H new ATOM 221 N GLU A 15 -4.132 3.706 -2.471 1.00 0.00 N ATOM 222 CA GLU A 15 -2.933 3.706 -1.670 1.00 0.00 C ATOM 223 C GLU A 15 -2.228 2.387 -1.819 1.00 0.00 C ATOM 224 O GLU A 15 -1.022 2.338 -2.014 1.00 0.00 O ATOM 225 CB GLU A 15 -3.261 3.966 -0.200 1.00 0.00 C ATOM 226 CG GLU A 15 -3.740 5.376 0.087 1.00 0.00 C ATOM 227 CD GLU A 15 -2.685 6.414 -0.212 1.00 0.00 C ATOM 228 OE1 GLU A 15 -1.765 6.585 0.611 1.00 0.00 O ATOM 229 OE2 GLU A 15 -2.766 7.067 -1.265 1.00 0.00 O ATOM 0 H GLU A 15 -4.996 3.636 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.280 4.507 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.028 3.261 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.373 3.766 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.629 5.583 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.033 5.451 1.134 1.00 0.00 H new ATOM 236 N LEU A 16 -2.995 1.312 -1.741 1.00 0.00 N ATOM 237 CA LEU A 16 -2.453 -0.018 -1.905 1.00 0.00 C ATOM 238 C LEU A 16 -1.735 -0.142 -3.235 1.00 0.00 C ATOM 239 O LEU A 16 -0.630 -0.652 -3.300 1.00 0.00 O ATOM 240 CB LEU A 16 -3.561 -1.065 -1.815 1.00 0.00 C ATOM 241 CG LEU A 16 -3.126 -2.516 -2.076 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.075 -2.968 -1.060 1.00 0.00 C ATOM 243 CD2 LEU A 16 -4.326 -3.446 -2.053 1.00 0.00 C ATOM 0 H LEU A 16 -3.999 1.340 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.738 -0.192 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.007 -1.011 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.342 -0.804 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.675 -2.558 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.786 -3.998 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.199 -2.324 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.490 -2.905 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.998 -4.468 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.809 -3.393 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.034 -3.146 -2.825 1.00 0.00 H new ATOM 255 N THR A 17 -2.356 0.361 -4.280 1.00 0.00 N ATOM 256 CA THR A 17 -1.780 0.261 -5.611 1.00 0.00 C ATOM 257 C THR A 17 -0.546 1.148 -5.763 1.00 0.00 C ATOM 258 O THR A 17 0.528 0.670 -6.145 1.00 0.00 O ATOM 259 CB THR A 17 -2.803 0.600 -6.708 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.919 -0.295 -6.620 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.180 0.490 -8.093 1.00 0.00 C ATOM 0 H THR A 17 -3.255 0.841 -4.239 1.00 0.00 H new ATOM 0 HA THR A 17 -1.477 -0.779 -5.734 1.00 0.00 H new ATOM 0 HB THR A 17 -3.134 1.627 -6.557 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.462 -0.065 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.927 0.735 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.343 1.184 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.824 -0.528 -8.252 1.00 0.00 H new ATOM 269 N GLY A 18 -0.700 2.430 -5.450 1.00 0.00 N ATOM 270 CA GLY A 18 0.383 3.368 -5.585 1.00 0.00 C ATOM 271 C GLY A 18 1.564 2.986 -4.760 1.00 0.00 C ATOM 272 O GLY A 18 2.694 3.155 -5.182 1.00 0.00 O ATOM 0 H GLY A 18 -1.570 2.833 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.678 3.431 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.041 4.360 -5.290 1.00 0.00 H new ATOM 276 N GLN A 19 1.306 2.424 -3.599 1.00 0.00 N ATOM 277 CA GLN A 19 2.365 2.038 -2.717 1.00 0.00 C ATOM 278 C GLN A 19 2.938 0.689 -3.095 1.00 0.00 C ATOM 279 O GLN A 19 4.102 0.435 -2.865 1.00 0.00 O ATOM 280 CB GLN A 19 1.926 2.063 -1.254 1.00 0.00 C ATOM 281 CG GLN A 19 2.146 3.410 -0.570 1.00 0.00 C ATOM 282 CD GLN A 19 1.282 4.525 -1.119 1.00 0.00 C ATOM 283 OE1 GLN A 19 1.651 5.204 -2.079 1.00 0.00 O ATOM 284 NE2 GLN A 19 0.143 4.739 -0.497 1.00 0.00 N ATOM 0 H GLN A 19 0.368 2.228 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 19 3.158 2.778 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.869 1.805 -1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.472 1.294 -0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.948 3.302 0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.194 3.692 -0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.124 4.153 0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.473 5.491 -0.806 1.00 0.00 H new ATOM 293 N MET A 20 2.115 -0.182 -3.665 1.00 0.00 N ATOM 294 CA MET A 20 2.597 -1.484 -4.126 1.00 0.00 C ATOM 295 C MET A 20 3.544 -1.298 -5.289 1.00 0.00 C ATOM 296 O MET A 20 4.584 -1.956 -5.383 1.00 0.00 O ATOM 297 CB MET A 20 1.430 -2.394 -4.529 1.00 0.00 C ATOM 298 CG MET A 20 1.854 -3.776 -5.003 1.00 0.00 C ATOM 299 SD MET A 20 0.453 -4.828 -5.438 1.00 0.00 S ATOM 300 CE MET A 20 -0.364 -4.992 -3.849 1.00 0.00 C ATOM 0 H MET A 20 1.120 -0.016 -3.819 1.00 0.00 H new ATOM 0 HA MET A 20 3.128 -1.965 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.759 -2.504 -3.677 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.862 -1.908 -5.322 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.508 -3.673 -5.869 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.437 -4.261 -4.220 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.041 -5.846 -3.874 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.383 -5.144 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.931 -4.086 -3.636 1.00 0.00 H new ATOM 310 N ARG A 21 3.190 -0.379 -6.157 1.00 0.00 N ATOM 311 CA ARG A 21 4.019 -0.073 -7.304 1.00 0.00 C ATOM 312 C ARG A 21 5.237 0.724 -6.846 1.00 0.00 C ATOM 313 O ARG A 21 6.365 0.430 -7.243 1.00 0.00 O ATOM 314 CB ARG A 21 3.233 0.685 -8.375 1.00 0.00 C ATOM 315 CG ARG A 21 3.925 0.719 -9.735 1.00 0.00 C ATOM 316 CD ARG A 21 4.160 -0.691 -10.281 1.00 0.00 C ATOM 317 NE ARG A 21 2.910 -1.452 -10.409 1.00 0.00 N ATOM 318 CZ ARG A 21 2.838 -2.778 -10.601 1.00 0.00 C ATOM 319 NH1 ARG A 21 3.946 -3.516 -10.661 1.00 0.00 N ATOM 320 NH2 ARG A 21 1.649 -3.366 -10.719 1.00 0.00 N ATOM 0 H ARG A 21 2.333 0.171 -6.092 1.00 0.00 H new ATOM 0 HA ARG A 21 4.353 -1.006 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.252 0.224 -8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.067 1.708 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.317 1.286 -10.440 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.879 1.239 -9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.645 -0.625 -11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.843 -1.225 -9.620 1.00 0.00 H new ATOM 0 HE ARG A 21 2.033 -0.935 -10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.860 -3.074 -10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.881 -4.523 -10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.797 -2.809 -10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.591 -4.374 -10.865 1.00 0.00 H new ATOM 334 N GLU A 22 4.992 1.743 -6.010 1.00 0.00 N ATOM 335 CA GLU A 22 6.068 2.523 -5.387 1.00 0.00 C ATOM 336 C GLU A 22 7.069 1.587 -4.728 1.00 0.00 C ATOM 337 O GLU A 22 8.278 1.717 -4.911 1.00 0.00 O ATOM 338 CB GLU A 22 5.493 3.467 -4.326 1.00 0.00 C ATOM 339 CG GLU A 22 6.514 4.390 -3.683 1.00 0.00 C ATOM 340 CD GLU A 22 6.943 5.508 -4.599 1.00 0.00 C ATOM 341 OE1 GLU A 22 6.400 6.627 -4.467 1.00 0.00 O ATOM 342 OE2 GLU A 22 7.826 5.285 -5.447 1.00 0.00 O ATOM 0 H GLU A 22 4.054 2.046 -5.750 1.00 0.00 H new ATOM 0 HA GLU A 22 6.565 3.109 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.711 4.073 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.019 2.871 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.092 4.814 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.389 3.810 -3.390 1.00 0.00 H new ATOM 349 N ALA A 23 6.544 0.629 -3.971 1.00 0.00 N ATOM 350 CA ALA A 23 7.373 -0.347 -3.276 1.00 0.00 C ATOM 351 C ALA A 23 8.232 -1.127 -4.246 1.00 0.00 C ATOM 352 O ALA A 23 9.408 -1.360 -3.986 1.00 0.00 O ATOM 353 CB ALA A 23 6.521 -1.293 -2.461 1.00 0.00 C ATOM 0 H ALA A 23 5.542 0.508 -3.823 1.00 0.00 H new ATOM 0 HA ALA A 23 8.030 0.202 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.162 -2.012 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.953 -0.727 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.833 -1.823 -3.120 1.00 0.00 H new ATOM 359 N GLU A 24 7.649 -1.523 -5.369 1.00 0.00 N ATOM 360 CA GLU A 24 8.387 -2.268 -6.377 1.00 0.00 C ATOM 361 C GLU A 24 9.504 -1.407 -6.948 1.00 0.00 C ATOM 362 O GLU A 24 10.658 -1.829 -7.011 1.00 0.00 O ATOM 363 CB GLU A 24 7.459 -2.735 -7.501 1.00 0.00 C ATOM 364 CG GLU A 24 8.196 -3.352 -8.681 1.00 0.00 C ATOM 365 CD GLU A 24 7.275 -3.753 -9.804 1.00 0.00 C ATOM 366 OE1 GLU A 24 6.528 -2.890 -10.309 1.00 0.00 O ATOM 367 OE2 GLU A 24 7.309 -4.929 -10.206 1.00 0.00 O ATOM 0 H GLU A 24 6.673 -1.342 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 24 8.819 -3.149 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.755 -3.465 -7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.872 -1.886 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.930 -2.639 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.748 -4.228 -8.340 1.00 0.00 H new ATOM 374 N ARG A 25 9.147 -0.190 -7.336 1.00 0.00 N ATOM 375 CA ARG A 25 10.093 0.767 -7.895 1.00 0.00 C ATOM 376 C ARG A 25 11.256 0.994 -6.938 1.00 0.00 C ATOM 377 O ARG A 25 12.419 0.895 -7.323 1.00 0.00 O ATOM 378 CB ARG A 25 9.380 2.099 -8.166 1.00 0.00 C ATOM 379 CG ARG A 25 10.270 3.219 -8.716 1.00 0.00 C ATOM 380 CD ARG A 25 10.624 3.006 -10.185 1.00 0.00 C ATOM 381 NE ARG A 25 11.700 2.029 -10.377 1.00 0.00 N ATOM 382 CZ ARG A 25 11.683 1.060 -11.291 1.00 0.00 C ATOM 383 NH1 ARG A 25 10.608 0.866 -12.043 1.00 0.00 N ATOM 384 NH2 ARG A 25 12.742 0.283 -11.449 1.00 0.00 N ATOM 0 H ARG A 25 8.192 0.162 -7.272 1.00 0.00 H new ATOM 0 HA ARG A 25 10.485 0.364 -8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.570 1.921 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.923 2.443 -7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.759 4.175 -8.602 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.186 3.275 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.737 2.672 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.922 3.958 -10.623 1.00 0.00 H new ATOM 0 HE ARG A 25 12.517 2.096 -9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.788 1.460 -11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.601 0.122 -12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.570 0.426 -10.871 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.730 -0.459 -12.148 1.00 0.00 H new ATOM 398 N GLN A 26 10.927 1.256 -5.687 1.00 0.00 N ATOM 399 CA GLN A 26 11.918 1.561 -4.674 1.00 0.00 C ATOM 400 C GLN A 26 12.830 0.382 -4.388 1.00 0.00 C ATOM 401 O GLN A 26 14.020 0.570 -4.169 1.00 0.00 O ATOM 402 CB GLN A 26 11.252 2.054 -3.396 1.00 0.00 C ATOM 403 CG GLN A 26 10.573 3.408 -3.546 1.00 0.00 C ATOM 404 CD GLN A 26 11.545 4.504 -3.938 1.00 0.00 C ATOM 405 OE1 GLN A 26 11.775 4.759 -5.121 1.00 0.00 O ATOM 406 NE2 GLN A 26 12.112 5.164 -2.954 1.00 0.00 N ATOM 0 H GLN A 26 9.966 1.263 -5.345 1.00 0.00 H new ATOM 0 HA GLN A 26 12.544 2.360 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.513 1.320 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.001 2.118 -2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.788 3.336 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.089 3.675 -2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.896 4.923 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.769 5.918 -3.157 1.00 0.00 H new ATOM 415 N GLN A 27 12.285 -0.835 -4.389 1.00 0.00 N ATOM 416 CA GLN A 27 13.116 -2.013 -4.160 1.00 0.00 C ATOM 417 C GLN A 27 14.117 -2.177 -5.292 1.00 0.00 C ATOM 418 O GLN A 27 15.267 -2.569 -5.071 1.00 0.00 O ATOM 419 CB GLN A 27 12.283 -3.288 -4.019 1.00 0.00 C ATOM 420 CG GLN A 27 11.359 -3.312 -2.814 1.00 0.00 C ATOM 421 CD GLN A 27 10.799 -4.695 -2.556 1.00 0.00 C ATOM 422 OE1 GLN A 27 11.345 -5.461 -1.765 1.00 0.00 O ATOM 423 NE2 GLN A 27 9.727 -5.037 -3.241 1.00 0.00 N ATOM 0 H GLN A 27 11.295 -1.027 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 27 13.645 -1.857 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.685 -3.417 -4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.958 -4.142 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.903 -2.971 -1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.538 -2.612 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.302 -4.373 -3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.322 -5.966 -3.124 1.00 0.00 H new ATOM 432 N ARG A 28 13.680 -1.853 -6.506 1.00 0.00 N ATOM 433 CA ARG A 28 14.550 -1.947 -7.670 1.00 0.00 C ATOM 434 C ARG A 28 15.658 -0.906 -7.570 1.00 0.00 C ATOM 435 O ARG A 28 16.838 -1.215 -7.761 1.00 0.00 O ATOM 436 CB ARG A 28 13.755 -1.746 -8.968 1.00 0.00 C ATOM 437 CG ARG A 28 12.582 -2.702 -9.149 1.00 0.00 C ATOM 438 CD ARG A 28 13.029 -4.152 -9.209 1.00 0.00 C ATOM 439 NE ARG A 28 11.888 -5.068 -9.330 1.00 0.00 N ATOM 440 CZ ARG A 28 11.954 -6.288 -9.871 1.00 0.00 C ATOM 441 NH1 ARG A 28 13.102 -6.742 -10.355 1.00 0.00 N ATOM 442 NH2 ARG A 28 10.870 -7.055 -9.926 1.00 0.00 N ATOM 0 H ARG A 28 12.735 -1.525 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 28 14.990 -2.944 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.380 -0.723 -8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.432 -1.859 -9.814 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.880 -2.574 -8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.048 -2.450 -10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.699 -4.291 -10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.597 -4.395 -8.311 1.00 0.00 H new ATOM 0 HE ARG A 28 10.985 -4.752 -8.978 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.938 -6.159 -10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.149 -7.674 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.984 -6.713 -9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.924 -7.986 -10.340 1.00 0.00 H new ATOM 456 N GLU A 29 15.272 0.329 -7.241 1.00 0.00 N ATOM 457 CA GLU A 29 16.231 1.417 -7.088 1.00 0.00 C ATOM 458 C GLU A 29 17.199 1.103 -5.957 1.00 0.00 C ATOM 459 O GLU A 29 18.399 1.302 -6.085 1.00 0.00 O ATOM 460 CB GLU A 29 15.518 2.746 -6.803 1.00 0.00 C ATOM 461 CG GLU A 29 14.421 3.096 -7.796 1.00 0.00 C ATOM 462 CD GLU A 29 14.865 2.968 -9.232 1.00 0.00 C ATOM 463 OE1 GLU A 29 15.572 3.870 -9.726 1.00 0.00 O ATOM 464 OE2 GLU A 29 14.506 1.962 -9.878 1.00 0.00 O ATOM 0 H GLU A 29 14.302 0.597 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 29 16.782 1.515 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.087 2.706 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 29 16.257 3.547 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.564 2.444 -7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.086 4.117 -7.614 1.00 0.00 H new ATOM 471 N ARG A 30 16.653 0.603 -4.855 1.00 0.00 N ATOM 472 CA ARG A 30 17.425 0.214 -3.677 1.00 0.00 C ATOM 473 C ARG A 30 18.538 -0.767 -4.047 1.00 0.00 C ATOM 474 O ARG A 30 19.692 -0.593 -3.653 1.00 0.00 O ATOM 475 CB ARG A 30 16.473 -0.422 -2.659 1.00 0.00 C ATOM 476 CG ARG A 30 17.086 -0.772 -1.318 1.00 0.00 C ATOM 477 CD ARG A 30 16.027 -1.357 -0.392 1.00 0.00 C ATOM 478 NE ARG A 30 16.544 -1.645 0.944 1.00 0.00 N ATOM 479 CZ ARG A 30 15.790 -2.065 1.973 1.00 0.00 C ATOM 480 NH1 ARG A 30 14.472 -2.254 1.815 1.00 0.00 N ATOM 481 NH2 ARG A 30 16.351 -2.290 3.155 1.00 0.00 N ATOM 0 H ARG A 30 15.649 0.454 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 30 17.897 1.098 -3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 30 15.641 0.262 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.057 -1.330 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.895 -1.489 -1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.523 0.119 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.194 -0.659 -0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.633 -2.274 -0.830 1.00 0.00 H new ATOM 0 HE ARG A 30 17.543 -1.519 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.037 -2.079 0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.905 -2.573 2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.353 -2.144 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.780 -2.609 3.938 1.00 0.00 H new ATOM 495 N SER A 31 18.183 -1.787 -4.817 1.00 0.00 N ATOM 496 CA SER A 31 19.138 -2.802 -5.244 1.00 0.00 C ATOM 497 C SER A 31 20.197 -2.183 -6.151 1.00 0.00 C ATOM 498 O SER A 31 21.375 -2.545 -6.101 1.00 0.00 O ATOM 499 CB SER A 31 18.404 -3.936 -5.975 1.00 0.00 C ATOM 500 OG SER A 31 19.288 -4.988 -6.328 1.00 0.00 O ATOM 0 H SER A 31 17.234 -1.934 -5.161 1.00 0.00 H new ATOM 0 HA SER A 31 19.634 -3.213 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.610 -4.326 -5.338 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.928 -3.543 -6.873 1.00 0.00 H new ATOM 0 HG SER A 31 18.789 -5.694 -6.790 1.00 0.00 H new ATOM 506 N ASN A 32 19.768 -1.237 -6.954 1.00 0.00 N ATOM 507 CA ASN A 32 20.645 -0.536 -7.874 1.00 0.00 C ATOM 508 C ASN A 32 21.567 0.437 -7.127 1.00 0.00 C ATOM 509 O ASN A 32 22.678 0.714 -7.569 1.00 0.00 O ATOM 510 CB ASN A 32 19.795 0.191 -8.934 1.00 0.00 C ATOM 511 CG ASN A 32 20.194 1.638 -9.153 1.00 0.00 C ATOM 512 OD1 ASN A 32 21.005 1.948 -10.026 1.00 0.00 O ATOM 513 ND2 ASN A 32 19.627 2.527 -8.355 1.00 0.00 N ATOM 0 H ASN A 32 18.797 -0.928 -6.990 1.00 0.00 H new ATOM 0 HA ASN A 32 21.289 -1.258 -8.376 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.875 -0.345 -9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.748 0.154 -8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.856 3.516 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.960 2.223 -7.645 1.00 0.00 H new ATOM 862 N LEU A 56 -2.035 -8.453 -6.313 1.00 0.00 N ATOM 863 CA LEU A 56 -3.178 -8.669 -5.464 1.00 0.00 C ATOM 864 C LEU A 56 -3.922 -9.920 -5.893 1.00 0.00 C ATOM 865 O LEU A 56 -4.392 -10.023 -7.035 1.00 0.00 O ATOM 866 CB LEU A 56 -4.104 -7.455 -5.507 1.00 0.00 C ATOM 867 CG LEU A 56 -5.116 -7.357 -4.371 1.00 0.00 C ATOM 868 CD1 LEU A 56 -4.396 -7.219 -3.041 1.00 0.00 C ATOM 869 CD2 LEU A 56 -6.055 -6.182 -4.591 1.00 0.00 C ATOM 0 HA LEU A 56 -2.833 -8.806 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.492 -6.553 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.646 -7.468 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.710 -8.271 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.128 -7.150 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.760 -8.090 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.782 -6.318 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.770 -6.129 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.478 -5.258 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.591 -6.316 -5.531 1.00 0.00 H new ATOM 881 N SER A 57 -4.011 -10.862 -4.994 1.00 0.00 N ATOM 882 CA SER A 57 -4.654 -12.114 -5.267 1.00 0.00 C ATOM 883 C SER A 57 -6.159 -11.903 -5.382 1.00 0.00 C ATOM 884 O SER A 57 -6.721 -11.099 -4.656 1.00 0.00 O ATOM 885 CB SER A 57 -4.339 -13.096 -4.144 1.00 0.00 C ATOM 886 OG SER A 57 -2.960 -13.038 -3.794 1.00 0.00 O ATOM 0 H SER A 57 -3.637 -10.780 -4.048 1.00 0.00 H new ATOM 0 HA SER A 57 -4.286 -12.521 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.950 -12.866 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.597 -14.108 -4.456 1.00 0.00 H new ATOM 0 HG SER A 57 -2.813 -12.302 -3.164 1.00 0.00 H new ATOM 892 N PRO A 58 -6.825 -12.610 -6.308 1.00 0.00 N ATOM 893 CA PRO A 58 -8.282 -12.502 -6.496 1.00 0.00 C ATOM 894 C PRO A 58 -9.044 -12.710 -5.190 1.00 0.00 C ATOM 895 O PRO A 58 -10.059 -12.063 -4.931 1.00 0.00 O ATOM 896 CB PRO A 58 -8.594 -13.628 -7.477 1.00 0.00 C ATOM 897 CG PRO A 58 -7.327 -13.832 -8.228 1.00 0.00 C ATOM 898 CD PRO A 58 -6.218 -13.558 -7.257 1.00 0.00 C ATOM 0 HA PRO A 58 -8.579 -11.515 -6.850 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.896 -14.536 -6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.412 -13.357 -8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.263 -14.849 -8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.269 -13.160 -9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.886 -14.469 -6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.347 -13.129 -7.752 1.00 0.00 H new ATOM 906 N ILE A 59 -8.526 -13.597 -4.363 1.00 0.00 N ATOM 907 CA ILE A 59 -9.136 -13.891 -3.073 1.00 0.00 C ATOM 908 C ILE A 59 -8.859 -12.755 -2.102 1.00 0.00 C ATOM 909 O ILE A 59 -9.747 -12.282 -1.400 1.00 0.00 O ATOM 910 CB ILE A 59 -8.610 -15.227 -2.478 1.00 0.00 C ATOM 911 CG1 ILE A 59 -9.225 -15.477 -1.095 1.00 0.00 C ATOM 912 CG2 ILE A 59 -7.079 -15.258 -2.415 1.00 0.00 C ATOM 913 CD1 ILE A 59 -8.636 -16.662 -0.372 1.00 0.00 C ATOM 0 H ILE A 59 -7.680 -14.131 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 59 -10.210 -13.993 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.919 -16.032 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.091 -14.586 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -10.299 -15.629 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.751 -16.208 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.671 -15.147 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.724 -14.441 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.121 -16.775 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.793 -17.564 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.567 -16.505 -0.227 1.00 0.00 H new ATOM 925 N GLU A 60 -7.618 -12.326 -2.095 1.00 0.00 N ATOM 926 CA GLU A 60 -7.147 -11.236 -1.271 1.00 0.00 C ATOM 927 C GLU A 60 -7.927 -9.977 -1.606 1.00 0.00 C ATOM 928 O GLU A 60 -8.318 -9.215 -0.726 1.00 0.00 O ATOM 929 CB GLU A 60 -5.666 -11.062 -1.556 1.00 0.00 C ATOM 930 CG GLU A 60 -4.956 -10.002 -0.764 1.00 0.00 C ATOM 931 CD GLU A 60 -3.477 -10.038 -1.049 1.00 0.00 C ATOM 932 OE1 GLU A 60 -3.098 -10.368 -2.210 1.00 0.00 O ATOM 933 OE2 GLU A 60 -2.685 -9.767 -0.131 1.00 0.00 O ATOM 0 H GLU A 60 -6.888 -12.736 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.294 -11.441 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.169 -12.015 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.546 -10.836 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.358 -9.020 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.132 -10.155 0.301 1.00 0.00 H new ATOM 940 N ARG A 61 -8.168 -9.799 -2.890 1.00 0.00 N ATOM 941 CA ARG A 61 -8.954 -8.694 -3.405 1.00 0.00 C ATOM 942 C ARG A 61 -10.336 -8.692 -2.787 1.00 0.00 C ATOM 943 O ARG A 61 -10.742 -7.720 -2.166 1.00 0.00 O ATOM 944 CB ARG A 61 -9.064 -8.805 -4.934 1.00 0.00 C ATOM 945 CG ARG A 61 -10.084 -7.866 -5.566 1.00 0.00 C ATOM 946 CD ARG A 61 -9.730 -6.416 -5.326 1.00 0.00 C ATOM 947 NE ARG A 61 -10.699 -5.508 -5.941 1.00 0.00 N ATOM 948 CZ ARG A 61 -10.406 -4.307 -6.436 1.00 0.00 C ATOM 949 NH1 ARG A 61 -9.152 -3.861 -6.423 1.00 0.00 N ATOM 950 NH2 ARG A 61 -11.369 -3.553 -6.949 1.00 0.00 N ATOM 0 H ARG A 61 -7.819 -10.426 -3.615 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.457 -7.759 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.086 -8.605 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.325 -9.831 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.138 -8.055 -6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.072 -8.072 -5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.685 -6.226 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.737 -6.214 -5.728 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.669 -5.818 -5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.409 -4.440 -6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.934 -2.940 -6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.330 -3.894 -6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.148 -2.633 -7.329 1.00 0.00 H new ATOM 964 N LEU A 62 -11.035 -9.793 -2.957 1.00 0.00 N ATOM 965 CA LEU A 62 -12.390 -9.944 -2.433 1.00 0.00 C ATOM 966 C LEU A 62 -12.431 -9.722 -0.923 1.00 0.00 C ATOM 967 O LEU A 62 -13.340 -9.071 -0.410 1.00 0.00 O ATOM 968 CB LEU A 62 -12.948 -11.321 -2.766 1.00 0.00 C ATOM 969 CG LEU A 62 -14.373 -11.575 -2.279 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.370 -10.736 -3.065 1.00 0.00 C ATOM 971 CD2 LEU A 62 -14.715 -13.051 -2.364 1.00 0.00 C ATOM 0 H LEU A 62 -10.689 -10.610 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.009 -9.184 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.920 -11.456 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.292 -12.077 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.435 -11.276 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.378 -10.933 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.138 -9.679 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.309 -10.994 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.734 -13.209 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -14.632 -13.385 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.024 -13.621 -1.743 1.00 0.00 H new ATOM 983 N GLN A 63 -11.438 -10.258 -0.221 1.00 0.00 N ATOM 984 CA GLN A 63 -11.352 -10.086 1.227 1.00 0.00 C ATOM 985 C GLN A 63 -11.233 -8.605 1.561 1.00 0.00 C ATOM 986 O GLN A 63 -11.903 -8.096 2.456 1.00 0.00 O ATOM 987 CB GLN A 63 -10.149 -10.844 1.791 1.00 0.00 C ATOM 988 CG GLN A 63 -10.263 -12.356 1.695 1.00 0.00 C ATOM 989 CD GLN A 63 -8.997 -13.058 2.143 1.00 0.00 C ATOM 990 OE1 GLN A 63 -8.828 -13.375 3.321 1.00 0.00 O ATOM 991 NE2 GLN A 63 -8.104 -13.310 1.208 1.00 0.00 N ATOM 0 H GLN A 63 -10.685 -10.813 -0.627 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.257 -10.490 1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.252 -10.524 1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.017 -10.567 2.837 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.099 -12.695 2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.487 -12.637 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.283 -13.031 0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.234 -13.785 1.449 1.00 0.00 H new ATOM 1000 N LEU A 64 -10.382 -7.929 0.816 1.00 0.00 N ATOM 1001 CA LEU A 64 -10.151 -6.512 0.986 1.00 0.00 C ATOM 1002 C LEU A 64 -11.375 -5.707 0.616 1.00 0.00 C ATOM 1003 O LEU A 64 -11.658 -4.692 1.232 1.00 0.00 O ATOM 1004 CB LEU A 64 -8.935 -6.066 0.171 1.00 0.00 C ATOM 1005 CG LEU A 64 -7.583 -6.102 0.907 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -7.483 -7.312 1.818 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -6.442 -6.106 -0.094 1.00 0.00 C ATOM 0 H LEU A 64 -9.828 -8.352 0.071 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.945 -6.328 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.862 -6.699 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.109 -5.049 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.513 -5.208 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.517 -7.308 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.281 -7.276 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.579 -8.222 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.491 -6.132 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.523 -6.984 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.491 -5.205 -0.706 1.00 0.00 H new ATOM 1019 N GLU A 65 -12.104 -6.154 -0.384 1.00 0.00 N ATOM 1020 CA GLU A 65 -13.306 -5.465 -0.785 1.00 0.00 C ATOM 1021 C GLU A 65 -14.359 -5.595 0.280 1.00 0.00 C ATOM 1022 O GLU A 65 -15.037 -4.634 0.619 1.00 0.00 O ATOM 1023 CB GLU A 65 -13.837 -6.003 -2.112 1.00 0.00 C ATOM 1024 CG GLU A 65 -12.886 -5.816 -3.275 1.00 0.00 C ATOM 1025 CD GLU A 65 -13.444 -6.354 -4.568 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -13.743 -5.547 -5.473 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -13.588 -7.581 -4.692 1.00 0.00 O ATOM 0 H GLU A 65 -11.885 -6.987 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.059 -4.412 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.055 -7.065 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.780 -5.507 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.664 -4.755 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.943 -6.316 -3.054 1.00 0.00 H new ATOM 1034 N ASP A 66 -14.450 -6.782 0.829 1.00 0.00 N ATOM 1035 CA ASP A 66 -15.430 -7.099 1.845 1.00 0.00 C ATOM 1036 C ASP A 66 -15.220 -6.238 3.068 1.00 0.00 C ATOM 1037 O ASP A 66 -16.164 -5.650 3.616 1.00 0.00 O ATOM 1038 CB ASP A 66 -15.331 -8.579 2.219 1.00 0.00 C ATOM 1039 CG ASP A 66 -16.370 -9.004 3.232 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -16.052 -9.052 4.435 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -17.509 -9.309 2.825 1.00 0.00 O ATOM 0 H ASP A 66 -13.842 -7.563 0.583 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.425 -6.898 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.441 -9.184 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.338 -8.781 2.619 1.00 0.00 H new ATOM 1046 N VAL A 67 -13.976 -6.132 3.470 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.634 -5.359 4.649 1.00 0.00 C ATOM 1048 C VAL A 67 -13.767 -3.859 4.411 1.00 0.00 C ATOM 1049 O VAL A 67 -14.190 -3.129 5.296 1.00 0.00 O ATOM 1050 CB VAL A 67 -12.226 -5.689 5.180 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -12.163 -7.118 5.686 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -11.166 -5.458 4.127 1.00 0.00 C ATOM 0 H VAL A 67 -13.182 -6.569 3.002 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.357 -5.649 5.412 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.025 -5.014 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.160 -7.329 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.883 -7.250 6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.401 -7.803 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.186 -5.701 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.366 -6.093 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.181 -4.413 3.819 1.00 0.00 H new ATOM 1062 N CYS A 68 -13.426 -3.416 3.213 1.00 0.00 N ATOM 1063 CA CYS A 68 -13.509 -2.005 2.860 1.00 0.00 C ATOM 1064 C CYS A 68 -14.959 -1.563 2.777 1.00 0.00 C ATOM 1065 O CYS A 68 -15.309 -0.459 3.189 1.00 0.00 O ATOM 1066 CB CYS A 68 -12.790 -1.735 1.534 1.00 0.00 C ATOM 1067 SG CYS A 68 -10.998 -1.928 1.607 1.00 0.00 S ATOM 0 H CYS A 68 -13.086 -4.017 2.462 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.015 -1.427 3.641 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -13.186 -2.411 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.021 -0.721 1.209 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.692 -3.186 1.493 1.00 0.00 H new ATOM 1073 N VAL A 69 -15.803 -2.437 2.246 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.225 -2.169 2.163 1.00 0.00 C ATOM 1075 C VAL A 69 -17.818 -2.009 3.566 1.00 0.00 C ATOM 1076 O VAL A 69 -18.755 -1.228 3.777 1.00 0.00 O ATOM 1077 CB VAL A 69 -17.968 -3.296 1.386 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -19.469 -3.198 1.574 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -17.626 -3.229 -0.095 1.00 0.00 C ATOM 0 H VAL A 69 -15.522 -3.341 1.866 1.00 0.00 H new ATOM 0 HA VAL A 69 -17.360 -1.238 1.613 1.00 0.00 H new ATOM 0 HB VAL A 69 -17.636 -4.253 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -19.958 -3.999 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.710 -3.291 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.820 -2.234 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -18.152 -4.022 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -17.929 -2.261 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -16.551 -3.355 -0.226 1.00 0.00 H new ATOM 1089 N LYS A 70 -17.248 -2.723 4.529 1.00 0.00 N ATOM 1090 CA LYS A 70 -17.724 -2.643 5.900 1.00 0.00 C ATOM 1091 C LYS A 70 -17.021 -1.527 6.694 1.00 0.00 C ATOM 1092 O LYS A 70 -17.167 -1.443 7.909 1.00 0.00 O ATOM 1093 CB LYS A 70 -17.570 -3.984 6.626 1.00 0.00 C ATOM 1094 CG LYS A 70 -18.874 -4.506 7.230 1.00 0.00 C ATOM 1095 CD LYS A 70 -19.595 -3.427 8.037 1.00 0.00 C ATOM 1096 CE LYS A 70 -20.889 -3.942 8.630 1.00 0.00 C ATOM 1097 NZ LYS A 70 -21.776 -2.833 9.065 1.00 0.00 N ATOM 0 H LYS A 70 -16.463 -3.358 4.386 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.784 -2.397 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.182 -4.724 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.830 -3.876 7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.527 -4.862 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.661 -5.360 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.943 -3.074 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.804 -2.571 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.408 -4.555 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.668 -4.586 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.570 -3.219 9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.236 -2.168 9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.144 -2.335 8.230 1.00 0.00 H new ATOM 1111 N ILE A 71 -16.289 -0.666 6.010 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.625 0.447 6.665 1.00 0.00 C ATOM 1113 C ILE A 71 -16.483 1.696 6.531 1.00 0.00 C ATOM 1114 O ILE A 71 -17.099 1.930 5.486 1.00 0.00 O ATOM 1115 CB ILE A 71 -14.204 0.708 6.081 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -13.272 -0.459 6.424 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -13.623 2.029 6.591 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -11.858 -0.294 5.906 1.00 0.00 C ATOM 0 H ILE A 71 -16.139 -0.716 5.002 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.499 0.191 7.717 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.292 0.785 4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.239 -0.578 7.507 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.692 -1.378 6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.631 2.179 6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.274 2.851 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.549 1.998 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.263 -1.162 6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.876 -0.207 4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.416 0.606 6.335 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.552 2.479 7.590 1.00 0.00 N ATOM 1131 CA HIS A 72 -17.351 3.696 7.592 1.00 0.00 C ATOM 1132 C HIS A 72 -16.620 4.820 6.860 1.00 0.00 C ATOM 1133 O HIS A 72 -15.393 4.920 6.935 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.679 4.134 9.026 1.00 0.00 C ATOM 1135 CG HIS A 72 -18.531 3.168 9.797 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -18.543 3.116 11.173 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -19.411 2.222 9.381 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -19.389 2.182 11.571 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -19.926 1.629 10.505 1.00 0.00 N ATOM 0 H HIS A 72 -16.063 2.295 8.466 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.285 3.483 7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -16.745 4.286 9.567 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -18.188 5.097 8.990 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -19.659 1.982 8.358 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -19.603 1.918 12.596 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.616 0.878 10.513 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.384 5.686 6.165 1.00 0.00 N ATOM 1148 CA PRO A 73 -16.851 6.789 5.347 1.00 0.00 C ATOM 1149 C PRO A 73 -15.647 7.537 5.951 1.00 0.00 C ATOM 1150 O PRO A 73 -14.549 7.503 5.393 1.00 0.00 O ATOM 1151 CB PRO A 73 -18.046 7.727 5.228 1.00 0.00 C ATOM 1152 CG PRO A 73 -19.228 6.822 5.231 1.00 0.00 C ATOM 1153 CD PRO A 73 -18.865 5.650 6.111 1.00 0.00 C ATOM 0 HA PRO A 73 -16.456 6.407 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.083 8.431 6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.999 8.316 4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.110 7.336 5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.466 6.490 4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.303 5.746 7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.226 4.710 5.693 1.00 0.00 H new ATOM 1161 N SER A 74 -15.840 8.185 7.096 1.00 0.00 N ATOM 1162 CA SER A 74 -14.812 9.042 7.681 1.00 0.00 C ATOM 1163 C SER A 74 -13.646 8.267 8.315 1.00 0.00 C ATOM 1164 O SER A 74 -12.616 8.856 8.635 1.00 0.00 O ATOM 1165 CB SER A 74 -15.463 9.934 8.727 1.00 0.00 C ATOM 1166 OG SER A 74 -16.679 10.466 8.234 1.00 0.00 O ATOM 0 H SER A 74 -16.702 8.133 7.639 1.00 0.00 H new ATOM 0 HA SER A 74 -14.379 9.627 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.651 9.362 9.636 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.786 10.745 8.995 1.00 0.00 H new ATOM 0 HG SER A 74 -17.088 11.036 8.918 1.00 0.00 H new ATOM 1172 N TYR A 75 -13.799 6.966 8.491 1.00 0.00 N ATOM 1173 CA TYR A 75 -12.748 6.164 9.121 1.00 0.00 C ATOM 1174 C TYR A 75 -11.689 5.780 8.109 1.00 0.00 C ATOM 1175 O TYR A 75 -10.575 5.404 8.467 1.00 0.00 O ATOM 1176 CB TYR A 75 -13.337 4.925 9.792 1.00 0.00 C ATOM 1177 CG TYR A 75 -14.153 5.236 11.033 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -15.409 5.818 10.936 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -13.664 4.941 12.300 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -16.155 6.101 12.063 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -14.405 5.220 13.434 1.00 0.00 C ATOM 1182 CZ TYR A 75 -15.650 5.800 13.308 1.00 0.00 C ATOM 1183 OH TYR A 75 -16.392 6.080 14.434 1.00 0.00 O ATOM 0 H TYR A 75 -14.628 6.441 8.213 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.275 6.770 9.893 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.968 4.399 9.075 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.526 4.248 10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.810 6.054 9.961 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.689 4.486 12.401 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -17.130 6.556 11.968 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -14.011 4.985 14.412 1.00 0.00 H new ATOM 0 HH TYR A 75 -15.893 5.805 15.231 1.00 0.00 H new ATOM 1193 N CYS A 76 -12.057 5.870 6.849 1.00 0.00 N ATOM 1194 CA CYS A 76 -11.149 5.613 5.754 1.00 0.00 C ATOM 1195 C CYS A 76 -9.963 6.579 5.808 1.00 0.00 C ATOM 1196 O CYS A 76 -8.819 6.179 5.628 1.00 0.00 O ATOM 1197 CB CYS A 76 -11.897 5.737 4.421 1.00 0.00 C ATOM 1198 SG CYS A 76 -10.859 5.601 2.954 1.00 0.00 S ATOM 0 H CYS A 76 -13.000 6.125 6.555 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.760 4.598 5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.664 4.964 4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.411 6.698 4.397 1.00 0.00 H new ATOM 0 HG CYS A 76 -11.476 6.124 1.936 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.268 7.847 6.051 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.248 8.893 6.169 1.00 0.00 C ATOM 1206 C GLY A 77 -8.071 8.493 7.048 1.00 0.00 C ATOM 1207 O GLY A 77 -6.959 8.309 6.541 1.00 0.00 O ATOM 0 H GLY A 77 -11.223 8.183 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.880 9.145 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.707 9.794 6.577 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.277 8.372 8.380 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.229 7.938 9.301 1.00 0.00 C ATOM 1213 C PRO A 78 -6.583 6.631 8.842 1.00 0.00 C ATOM 1214 O PRO A 78 -5.360 6.513 8.836 1.00 0.00 O ATOM 1215 CB PRO A 78 -7.962 7.742 10.644 1.00 0.00 C ATOM 1216 CG PRO A 78 -9.420 7.849 10.327 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.523 8.680 9.085 1.00 0.00 C ATOM 0 HA PRO A 78 -6.416 8.661 9.364 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.726 6.772 11.081 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.662 8.499 11.368 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.857 6.863 10.172 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.963 8.312 11.150 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.398 8.414 8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.605 9.742 9.315 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.423 5.641 8.498 1.00 0.00 N ATOM 1226 CA ALA A 79 -6.940 4.358 7.964 1.00 0.00 C ATOM 1227 C ALA A 79 -5.871 4.557 6.891 1.00 0.00 C ATOM 1228 O ALA A 79 -4.855 3.856 6.880 1.00 0.00 O ATOM 1229 CB ALA A 79 -8.097 3.535 7.414 1.00 0.00 C ATOM 0 H ALA A 79 -8.438 5.705 8.580 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.482 3.814 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.718 2.590 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.814 3.337 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.588 4.087 6.613 1.00 0.00 H new ATOM 1235 N ILE A 80 -6.089 5.520 6.012 1.00 0.00 N ATOM 1236 CA ILE A 80 -5.123 5.807 4.968 1.00 0.00 C ATOM 1237 C ILE A 80 -3.866 6.452 5.539 1.00 0.00 C ATOM 1238 O ILE A 80 -2.742 6.038 5.228 1.00 0.00 O ATOM 1239 CB ILE A 80 -5.729 6.677 3.820 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -6.321 5.784 2.725 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -4.694 7.629 3.217 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -7.420 4.866 3.196 1.00 0.00 C ATOM 0 H ILE A 80 -6.920 6.112 6.000 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.843 4.850 4.528 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.522 7.283 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.710 6.417 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.522 5.182 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.157 8.215 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.321 8.299 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.865 7.052 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.781 4.271 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.034 4.204 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.241 5.458 3.600 1.00 0.00 H new ATOM 1254 N LEU A 81 -4.067 7.444 6.384 1.00 0.00 N ATOM 1255 CA LEU A 81 -2.967 8.159 7.028 1.00 0.00 C ATOM 1256 C LEU A 81 -2.060 7.194 7.777 1.00 0.00 C ATOM 1257 O LEU A 81 -0.840 7.246 7.641 1.00 0.00 O ATOM 1258 CB LEU A 81 -3.505 9.221 7.991 1.00 0.00 C ATOM 1259 CG LEU A 81 -4.377 10.311 7.367 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -4.919 11.236 8.443 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -3.590 11.103 6.333 1.00 0.00 C ATOM 0 H LEU A 81 -4.993 7.781 6.647 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.385 8.651 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.084 8.720 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.658 9.699 8.484 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.217 9.832 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.538 12.006 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.520 10.661 9.148 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.089 11.705 8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.229 11.873 5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.730 11.571 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.247 10.433 5.545 1.00 0.00 H new ATOM 1273 N ARG A 82 -2.671 6.305 8.550 1.00 0.00 N ATOM 1274 CA ARG A 82 -1.938 5.316 9.320 1.00 0.00 C ATOM 1275 C ARG A 82 -1.108 4.436 8.416 1.00 0.00 C ATOM 1276 O ARG A 82 0.083 4.271 8.636 1.00 0.00 O ATOM 1277 CB ARG A 82 -2.897 4.456 10.152 1.00 0.00 C ATOM 1278 CG ARG A 82 -3.418 5.141 11.403 1.00 0.00 C ATOM 1279 CD ARG A 82 -2.320 5.287 12.447 1.00 0.00 C ATOM 1280 NE ARG A 82 -2.787 5.989 13.641 1.00 0.00 N ATOM 1281 CZ ARG A 82 -2.326 5.772 14.875 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -1.404 4.843 15.091 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -2.797 6.480 15.892 1.00 0.00 N ATOM 0 H ARG A 82 -3.684 6.252 8.659 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.269 5.849 9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.744 4.169 9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.387 3.537 10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.812 6.124 11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.245 4.565 11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.953 4.300 12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.479 5.828 12.014 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.515 6.693 13.523 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.044 4.291 14.312 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.055 4.681 16.036 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.511 7.190 15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.445 6.315 16.835 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.733 3.893 7.382 1.00 0.00 N ATOM 1298 CA PHE A 83 -1.042 3.005 6.472 1.00 0.00 C ATOM 1299 C PHE A 83 0.146 3.691 5.811 1.00 0.00 C ATOM 1300 O PHE A 83 1.262 3.164 5.817 1.00 0.00 O ATOM 1301 CB PHE A 83 -1.982 2.465 5.392 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.293 1.491 4.496 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -0.968 0.240 4.962 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -0.934 1.837 3.203 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.302 -0.654 4.169 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -0.269 0.936 2.398 1.00 0.00 C ATOM 1307 CZ PHE A 83 0.049 -0.313 2.892 1.00 0.00 C ATOM 0 H PHE A 83 -2.715 4.054 7.156 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.677 2.171 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.838 1.983 5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.369 3.294 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.242 -0.041 5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.177 2.819 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.053 -1.632 4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.001 1.206 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.575 -1.021 2.270 1.00 0.00 H new ATOM 1317 N ARG A 84 -0.092 4.869 5.261 1.00 0.00 N ATOM 1318 CA ARG A 84 0.937 5.597 4.542 1.00 0.00 C ATOM 1319 C ARG A 84 2.085 5.979 5.464 1.00 0.00 C ATOM 1320 O ARG A 84 3.257 5.791 5.123 1.00 0.00 O ATOM 1321 CB ARG A 84 0.352 6.841 3.862 1.00 0.00 C ATOM 1322 CG ARG A 84 1.372 7.633 3.059 1.00 0.00 C ATOM 1323 CD ARG A 84 0.777 8.909 2.485 1.00 0.00 C ATOM 1324 NE ARG A 84 -0.170 8.660 1.388 1.00 0.00 N ATOM 1325 CZ ARG A 84 -0.488 9.570 0.461 1.00 0.00 C ATOM 1326 NH1 ARG A 84 0.033 10.790 0.516 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -1.335 9.261 -0.513 1.00 0.00 N ATOM 0 H ARG A 84 -0.994 5.343 5.300 1.00 0.00 H new ATOM 0 HA ARG A 84 1.332 4.938 3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.460 6.536 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.082 7.490 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.220 7.883 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.754 7.014 2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.268 9.455 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.583 9.548 2.124 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.609 7.741 1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.678 11.036 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.212 11.482 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.745 8.328 -0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.576 9.957 -1.219 1.00 0.00 H new ATOM 1341 N GLN A 85 1.752 6.489 6.638 1.00 0.00 N ATOM 1342 CA GLN A 85 2.763 6.891 7.598 1.00 0.00 C ATOM 1343 C GLN A 85 3.550 5.697 8.106 1.00 0.00 C ATOM 1344 O GLN A 85 4.755 5.799 8.336 1.00 0.00 O ATOM 1345 CB GLN A 85 2.145 7.668 8.761 1.00 0.00 C ATOM 1346 CG GLN A 85 1.682 9.069 8.380 1.00 0.00 C ATOM 1347 CD GLN A 85 2.838 10.003 8.046 1.00 0.00 C ATOM 1348 OE1 GLN A 85 3.901 9.572 7.596 1.00 0.00 O ATOM 1349 NE2 GLN A 85 2.633 11.285 8.250 1.00 0.00 N ATOM 0 H GLN A 85 0.791 6.634 6.948 1.00 0.00 H new ATOM 0 HA GLN A 85 3.457 7.553 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.296 7.107 9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.875 7.742 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.013 9.005 7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.105 9.492 9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.740 11.605 8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.367 11.960 8.034 1.00 0.00 H new ATOM 1358 N LEU A 86 2.888 4.552 8.243 1.00 0.00 N ATOM 1359 CA LEU A 86 3.569 3.360 8.739 1.00 0.00 C ATOM 1360 C LEU A 86 4.479 2.801 7.675 1.00 0.00 C ATOM 1361 O LEU A 86 5.576 2.335 7.961 1.00 0.00 O ATOM 1362 CB LEU A 86 2.571 2.299 9.194 1.00 0.00 C ATOM 1363 CG LEU A 86 1.793 2.625 10.462 1.00 0.00 C ATOM 1364 CD1 LEU A 86 0.731 1.570 10.722 1.00 0.00 C ATOM 1365 CD2 LEU A 86 2.730 2.740 11.654 1.00 0.00 C ATOM 0 H LEU A 86 1.900 4.424 8.023 1.00 0.00 H new ATOM 0 HA LEU A 86 4.167 3.649 9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.859 2.127 8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.109 1.364 9.350 1.00 0.00 H new ATOM 0 HG LEU A 86 1.299 3.586 10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.185 1.820 11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.038 1.536 9.881 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.207 0.596 10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.153 2.973 12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.255 1.795 11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.454 3.534 11.472 1.00 0.00 H new ATOM 1377 N LEU A 87 4.017 2.855 6.448 1.00 0.00 N ATOM 1378 CA LEU A 87 4.786 2.391 5.312 1.00 0.00 C ATOM 1379 C LEU A 87 6.061 3.193 5.182 1.00 0.00 C ATOM 1380 O LEU A 87 7.111 2.669 4.862 1.00 0.00 O ATOM 1381 CB LEU A 87 3.949 2.495 4.039 1.00 0.00 C ATOM 1382 CG LEU A 87 4.650 2.089 2.753 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.701 1.313 1.874 1.00 0.00 C ATOM 1384 CD2 LEU A 87 5.173 3.312 2.009 1.00 0.00 C ATOM 0 H LEU A 87 3.096 3.222 6.206 1.00 0.00 H new ATOM 0 HA LEU A 87 5.054 1.346 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.061 1.874 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.606 3.524 3.935 1.00 0.00 H new ATOM 0 HG LEU A 87 5.500 1.457 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.210 1.025 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.368 0.418 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.839 1.934 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.670 2.995 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.341 3.971 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.883 3.846 2.641 1.00 0.00 H new ATOM 1396 N ALA A 88 5.943 4.459 5.441 1.00 0.00 N ATOM 1397 CA ALA A 88 7.067 5.376 5.389 1.00 0.00 C ATOM 1398 C ALA A 88 8.049 5.099 6.511 1.00 0.00 C ATOM 1399 O ALA A 88 9.256 5.298 6.362 1.00 0.00 O ATOM 1400 CB ALA A 88 6.583 6.817 5.439 1.00 0.00 C ATOM 0 H ALA A 88 5.060 4.900 5.698 1.00 0.00 H new ATOM 0 HA ALA A 88 7.587 5.220 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.439 7.490 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.929 7.011 4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.033 6.984 6.365 1.00 0.00 H new ATOM 1406 N GLU A 89 7.533 4.620 7.622 1.00 0.00 N ATOM 1407 CA GLU A 89 8.373 4.294 8.763 1.00 0.00 C ATOM 1408 C GLU A 89 9.039 2.959 8.556 1.00 0.00 C ATOM 1409 O GLU A 89 10.212 2.774 8.879 1.00 0.00 O ATOM 1410 CB GLU A 89 7.576 4.277 10.065 1.00 0.00 C ATOM 1411 CG GLU A 89 6.963 5.611 10.443 1.00 0.00 C ATOM 1412 CD GLU A 89 6.319 5.572 11.809 1.00 0.00 C ATOM 1413 OE1 GLU A 89 6.446 6.566 12.559 1.00 0.00 O ATOM 1414 OE2 GLU A 89 5.708 4.541 12.150 1.00 0.00 O ATOM 0 H GLU A 89 6.538 4.446 7.763 1.00 0.00 H new ATOM 0 HA GLU A 89 9.133 5.072 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.780 3.537 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.231 3.950 10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.734 6.381 10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.218 5.891 9.699 1.00 0.00 H new ATOM 1421 N GLN A 90 8.288 2.039 8.006 1.00 0.00 N ATOM 1422 CA GLN A 90 8.776 0.687 7.757 1.00 0.00 C ATOM 1423 C GLN A 90 9.499 0.576 6.417 1.00 0.00 C ATOM 1424 O GLN A 90 10.006 -0.489 6.075 1.00 0.00 O ATOM 1425 CB GLN A 90 7.627 -0.306 7.839 1.00 0.00 C ATOM 1426 CG GLN A 90 7.162 -0.581 9.267 1.00 0.00 C ATOM 1427 CD GLN A 90 5.702 -0.976 9.343 1.00 0.00 C ATOM 1428 OE1 GLN A 90 5.306 -1.793 10.176 1.00 0.00 O ATOM 1429 NE2 GLN A 90 4.888 -0.359 8.522 1.00 0.00 N ATOM 0 H GLN A 90 7.323 2.195 7.715 1.00 0.00 H new ATOM 0 HA GLN A 90 9.506 0.449 8.531 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.786 0.074 7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.935 -1.245 7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.772 -1.376 9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.325 0.309 9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.256 0.311 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.886 -0.549 8.558 1.00 0.00 H new ATOM 1438 N GLU A 91 9.532 1.688 5.669 1.00 0.00 N ATOM 1439 CA GLU A 91 10.242 1.773 4.377 1.00 0.00 C ATOM 1440 C GLU A 91 9.499 1.022 3.257 1.00 0.00 C ATOM 1441 O GLU A 91 8.703 0.120 3.517 1.00 0.00 O ATOM 1442 CB GLU A 91 11.692 1.268 4.502 1.00 0.00 C ATOM 1443 CG GLU A 91 12.563 2.117 5.411 1.00 0.00 C ATOM 1444 CD GLU A 91 13.956 1.553 5.574 1.00 0.00 C ATOM 1445 OE1 GLU A 91 14.229 0.926 6.622 1.00 0.00 O ATOM 1446 OE2 GLU A 91 14.793 1.741 4.661 1.00 0.00 O ATOM 0 H GLU A 91 9.069 2.556 5.939 1.00 0.00 H new ATOM 0 HA GLU A 91 10.269 2.827 4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.679 0.245 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.142 1.236 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.629 3.127 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.090 2.197 6.390 1.00 0.00 H new ATOM 1453 N PRO A 92 9.734 1.416 1.985 1.00 0.00 N ATOM 1454 CA PRO A 92 9.109 0.767 0.832 1.00 0.00 C ATOM 1455 C PRO A 92 9.577 -0.678 0.663 1.00 0.00 C ATOM 1456 O PRO A 92 10.777 -0.945 0.611 1.00 0.00 O ATOM 1457 CB PRO A 92 9.567 1.617 -0.364 1.00 0.00 C ATOM 1458 CG PRO A 92 10.076 2.887 0.232 1.00 0.00 C ATOM 1459 CD PRO A 92 10.610 2.521 1.579 1.00 0.00 C ATOM 0 HA PRO A 92 8.025 0.713 0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.346 1.109 -0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.742 1.807 -1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.855 3.326 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.279 3.626 0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.654 2.213 1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.557 3.357 2.276 1.00 0.00 H new ATOM 1467 N GLU A 93 8.604 -1.580 0.499 1.00 0.00 N ATOM 1468 CA GLU A 93 8.812 -3.010 0.405 1.00 0.00 C ATOM 1469 C GLU A 93 7.477 -3.655 0.122 1.00 0.00 C ATOM 1470 O GLU A 93 6.549 -3.545 0.900 1.00 0.00 O ATOM 1471 CB GLU A 93 9.447 -3.583 1.681 1.00 0.00 C ATOM 1472 CG GLU A 93 10.971 -3.623 1.629 1.00 0.00 C ATOM 1473 CD GLU A 93 11.595 -4.110 2.905 1.00 0.00 C ATOM 1474 OE1 GLU A 93 11.382 -5.287 3.253 1.00 0.00 O ATOM 1475 OE2 GLU A 93 12.329 -3.318 3.552 1.00 0.00 O ATOM 0 H GLU A 93 7.621 -1.316 0.427 1.00 0.00 H new ATOM 0 HA GLU A 93 9.513 -3.223 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.135 -2.983 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.069 -4.592 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.283 -4.271 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.347 -2.624 1.407 1.00 0.00 H new ATOM 1482 N VAL A 94 7.406 -4.332 -0.990 1.00 0.00 N ATOM 1483 CA VAL A 94 6.150 -4.889 -1.496 1.00 0.00 C ATOM 1484 C VAL A 94 5.577 -5.934 -0.548 1.00 0.00 C ATOM 1485 O VAL A 94 4.357 -6.063 -0.404 1.00 0.00 O ATOM 1486 CB VAL A 94 6.317 -5.483 -2.916 1.00 0.00 C ATOM 1487 CG1 VAL A 94 6.854 -6.908 -2.881 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.017 -5.398 -3.700 1.00 0.00 C ATOM 0 H VAL A 94 8.213 -4.522 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 94 5.443 -4.062 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 94 7.061 -4.878 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.955 -7.284 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.828 -6.918 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.164 -7.543 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.163 -5.822 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.240 -5.956 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.715 -4.355 -3.792 1.00 0.00 H new ATOM 1498 N GLN A 95 6.456 -6.655 0.114 1.00 0.00 N ATOM 1499 CA GLN A 95 6.030 -7.661 1.065 1.00 0.00 C ATOM 1500 C GLN A 95 5.530 -7.005 2.332 1.00 0.00 C ATOM 1501 O GLN A 95 4.671 -7.548 3.026 1.00 0.00 O ATOM 1502 CB GLN A 95 7.144 -8.688 1.382 1.00 0.00 C ATOM 1503 CG GLN A 95 8.486 -8.100 1.836 1.00 0.00 C ATOM 1504 CD GLN A 95 9.328 -7.604 0.676 1.00 0.00 C ATOM 1505 OE1 GLN A 95 9.203 -8.091 -0.439 1.00 0.00 O ATOM 1506 NE2 GLN A 95 10.208 -6.664 0.936 1.00 0.00 N ATOM 0 H GLN A 95 7.467 -6.565 0.012 1.00 0.00 H new ATOM 0 HA GLN A 95 5.214 -8.217 0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.782 -9.360 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.317 -9.294 0.493 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.303 -7.276 2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.043 -8.858 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.283 -6.282 1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.816 -6.316 0.195 1.00 0.00 H new ATOM 1515 N GLU A 96 6.030 -5.812 2.608 1.00 0.00 N ATOM 1516 CA GLU A 96 5.628 -5.102 3.784 1.00 0.00 C ATOM 1517 C GLU A 96 4.346 -4.361 3.498 1.00 0.00 C ATOM 1518 O GLU A 96 3.469 -4.281 4.337 1.00 0.00 O ATOM 1519 CB GLU A 96 6.727 -4.141 4.245 1.00 0.00 C ATOM 1520 CG GLU A 96 6.477 -3.552 5.621 1.00 0.00 C ATOM 1521 CD GLU A 96 6.268 -4.624 6.670 1.00 0.00 C ATOM 1522 OE1 GLU A 96 7.226 -4.944 7.404 1.00 0.00 O ATOM 1523 OE2 GLU A 96 5.147 -5.161 6.759 1.00 0.00 O ATOM 0 H GLU A 96 6.713 -5.326 2.027 1.00 0.00 H new ATOM 0 HA GLU A 96 5.459 -5.812 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.681 -4.669 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.817 -3.330 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.323 -2.926 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.600 -2.905 5.584 1.00 0.00 H new ATOM 1530 N VAL A 97 4.239 -3.845 2.281 1.00 0.00 N ATOM 1531 CA VAL A 97 3.043 -3.135 1.857 1.00 0.00 C ATOM 1532 C VAL A 97 1.822 -4.005 2.056 1.00 0.00 C ATOM 1533 O VAL A 97 0.867 -3.610 2.698 1.00 0.00 O ATOM 1534 CB VAL A 97 3.118 -2.704 0.366 1.00 0.00 C ATOM 1535 CG1 VAL A 97 1.805 -2.075 -0.090 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.257 -1.737 0.147 1.00 0.00 C ATOM 0 H VAL A 97 4.968 -3.906 1.570 1.00 0.00 H new ATOM 0 HA VAL A 97 2.970 -2.237 2.470 1.00 0.00 H new ATOM 0 HB VAL A 97 3.297 -3.599 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.886 -1.783 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.997 -2.797 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.593 -1.195 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.292 -1.448 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.105 -0.850 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.197 -2.214 0.423 1.00 0.00 H new ATOM 1546 N SER A 98 1.890 -5.198 1.518 1.00 0.00 N ATOM 1547 CA SER A 98 0.802 -6.144 1.586 1.00 0.00 C ATOM 1548 C SER A 98 0.508 -6.579 3.028 1.00 0.00 C ATOM 1549 O SER A 98 -0.648 -6.632 3.455 1.00 0.00 O ATOM 1550 CB SER A 98 1.129 -7.352 0.713 1.00 0.00 C ATOM 1551 OG SER A 98 1.629 -6.932 -0.552 1.00 0.00 O ATOM 0 H SER A 98 2.708 -5.543 1.016 1.00 0.00 H new ATOM 0 HA SER A 98 -0.099 -5.657 1.214 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.867 -7.980 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.235 -7.960 0.574 1.00 0.00 H new ATOM 0 HG SER A 98 2.592 -6.764 -0.484 1.00 0.00 H new ATOM 1557 N GLN A 99 1.559 -6.870 3.765 1.00 0.00 N ATOM 1558 CA GLN A 99 1.442 -7.323 5.153 1.00 0.00 C ATOM 1559 C GLN A 99 0.865 -6.226 6.028 1.00 0.00 C ATOM 1560 O GLN A 99 -0.015 -6.468 6.846 1.00 0.00 O ATOM 1561 CB GLN A 99 2.807 -7.756 5.691 1.00 0.00 C ATOM 1562 CG GLN A 99 2.775 -8.297 7.116 1.00 0.00 C ATOM 1563 CD GLN A 99 4.158 -8.618 7.658 1.00 0.00 C ATOM 1564 OE1 GLN A 99 4.324 -9.534 8.466 1.00 0.00 O ATOM 1565 NE2 GLN A 99 5.150 -7.855 7.248 1.00 0.00 N ATOM 0 H GLN A 99 2.520 -6.803 3.429 1.00 0.00 H new ATOM 0 HA GLN A 99 0.766 -8.178 5.175 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.218 -8.522 5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.487 -6.905 5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.296 -7.565 7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.161 -9.197 7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.974 -7.106 6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.094 -8.013 7.600 1.00 0.00 H new ATOM 1574 N LEU A 100 1.338 -5.025 5.811 1.00 0.00 N ATOM 1575 CA LEU A 100 0.914 -3.885 6.576 1.00 0.00 C ATOM 1576 C LEU A 100 -0.478 -3.514 6.173 1.00 0.00 C ATOM 1577 O LEU A 100 -1.280 -3.068 6.993 1.00 0.00 O ATOM 1578 CB LEU A 100 1.863 -2.707 6.347 1.00 0.00 C ATOM 1579 CG LEU A 100 1.463 -1.389 7.001 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.492 -1.505 8.511 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.364 -0.266 6.521 1.00 0.00 C ATOM 0 H LEU A 100 2.032 -4.812 5.094 1.00 0.00 H new ATOM 0 HA LEU A 100 0.931 -4.135 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.851 -2.986 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.955 -2.544 5.273 1.00 0.00 H new ATOM 0 HG LEU A 100 0.440 -1.154 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.203 -0.552 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.795 -2.280 8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.499 -1.766 8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.066 0.668 6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.398 -0.492 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.276 -0.166 5.439 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.776 -3.739 4.909 1.00 0.00 N ATOM 1594 CA PHE A 101 -2.074 -3.414 4.386 1.00 0.00 C ATOM 1595 C PHE A 101 -3.123 -4.321 4.975 1.00 0.00 C ATOM 1596 O PHE A 101 -4.197 -3.877 5.359 1.00 0.00 O ATOM 1597 CB PHE A 101 -2.107 -3.495 2.872 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.326 -2.859 2.287 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.422 -1.483 2.204 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.374 -3.631 1.828 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -4.545 -0.885 1.672 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.501 -3.040 1.294 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.586 -1.666 1.214 1.00 0.00 C ATOM 0 H PHE A 101 -0.132 -4.146 4.230 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.291 -2.384 4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.219 -3.010 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.066 -4.541 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.608 -0.869 2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.312 -4.708 1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.609 0.192 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.316 -3.653 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.466 -1.202 0.794 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.805 -5.592 5.083 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.741 -6.537 5.626 1.00 0.00 C ATOM 1615 C ARG A 102 -3.790 -6.373 7.134 1.00 0.00 C ATOM 1616 O ARG A 102 -4.836 -6.538 7.753 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.346 -7.966 5.243 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.432 -8.999 5.501 1.00 0.00 C ATOM 1619 CD ARG A 102 -4.022 -10.367 4.985 1.00 0.00 C ATOM 1620 NE ARG A 102 -5.103 -11.348 5.099 1.00 0.00 N ATOM 1621 CZ ARG A 102 -4.996 -12.627 4.735 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -3.860 -13.085 4.219 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -6.031 -13.445 4.878 1.00 0.00 N ATOM 0 H ARG A 102 -1.908 -5.989 4.802 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.732 -6.348 5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.082 -7.988 4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.452 -8.247 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.636 -9.057 6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.357 -8.687 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.718 -10.284 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.154 -10.719 5.543 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.995 -11.033 5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.065 -12.458 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.784 -14.064 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.907 -13.096 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.950 -14.423 4.600 1.00 0.00 H new ATOM 1637 N SER A 103 -2.643 -6.018 7.709 1.00 0.00 N ATOM 1638 CA SER A 103 -2.533 -5.805 9.138 1.00 0.00 C ATOM 1639 C SER A 103 -3.475 -4.700 9.603 1.00 0.00 C ATOM 1640 O SER A 103 -4.363 -4.939 10.426 1.00 0.00 O ATOM 1641 CB SER A 103 -1.084 -5.476 9.529 1.00 0.00 C ATOM 1642 OG SER A 103 -0.935 -5.390 10.939 1.00 0.00 O ATOM 0 H SER A 103 -1.773 -5.872 7.196 1.00 0.00 H new ATOM 0 HA SER A 103 -2.824 -6.730 9.636 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.416 -6.243 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.787 -4.532 9.072 1.00 0.00 H new ATOM 0 HG SER A 103 -0.003 -5.181 11.157 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.301 -3.500 9.061 1.00 0.00 N ATOM 1649 CA VAL A 104 -4.138 -2.368 9.439 1.00 0.00 C ATOM 1650 C VAL A 104 -5.596 -2.609 9.111 1.00 0.00 C ATOM 1651 O VAL A 104 -6.477 -2.202 9.861 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.661 -1.026 8.813 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -2.263 -0.681 9.294 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -3.708 -1.073 7.290 1.00 0.00 C ATOM 0 H VAL A 104 -2.591 -3.286 8.361 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.037 -2.278 10.521 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.346 -0.244 9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.946 0.261 8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.265 -0.583 10.380 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.572 -1.472 9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.368 -0.119 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.059 -1.871 6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.731 -1.262 6.963 1.00 0.00 H new ATOM 1664 N LEU A 105 -5.854 -3.263 7.998 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.215 -3.594 7.618 1.00 0.00 C ATOM 1666 C LEU A 105 -7.866 -4.518 8.627 1.00 0.00 C ATOM 1667 O LEU A 105 -9.043 -4.380 8.915 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.268 -4.202 6.222 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.608 -3.228 5.086 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -9.026 -2.706 5.240 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.621 -2.069 5.045 1.00 0.00 C ATOM 0 H LEU A 105 -5.141 -3.577 7.340 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.780 -2.662 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.302 -4.659 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.007 -5.004 6.222 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.534 -3.771 4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.250 -2.017 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.726 -3.541 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.121 -2.185 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.886 -1.394 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.656 -1.528 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.614 -2.454 4.884 1.00 0.00 H new ATOM 1683 N GLN A 106 -7.104 -5.454 9.173 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.646 -6.341 10.188 1.00 0.00 C ATOM 1685 C GLN A 106 -7.820 -5.583 11.480 1.00 0.00 C ATOM 1686 O GLN A 106 -8.739 -5.843 12.254 1.00 0.00 O ATOM 1687 CB GLN A 106 -6.762 -7.571 10.399 1.00 0.00 C ATOM 1688 CG GLN A 106 -6.698 -8.498 9.196 1.00 0.00 C ATOM 1689 CD GLN A 106 -8.072 -8.904 8.697 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -8.640 -9.891 9.149 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.606 -8.149 7.754 1.00 0.00 N ATOM 0 H GLN A 106 -6.126 -5.617 8.935 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.616 -6.700 9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.752 -7.243 10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.134 -8.131 11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.154 -8.004 8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.133 -9.392 9.461 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.100 -7.335 7.405 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.524 -8.380 7.375 1.00 0.00 H new ATOM 1700 N GLU A 107 -6.945 -4.626 11.685 1.00 0.00 N ATOM 1701 CA GLU A 107 -6.997 -3.773 12.867 1.00 0.00 C ATOM 1702 C GLU A 107 -8.289 -2.952 12.864 1.00 0.00 C ATOM 1703 O GLU A 107 -9.106 -3.028 13.802 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.774 -2.849 12.902 1.00 0.00 C ATOM 1705 CG GLU A 107 -5.755 -1.872 14.068 1.00 0.00 C ATOM 1706 CD GLU A 107 -5.790 -2.563 15.409 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -4.803 -3.243 15.760 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -6.794 -2.421 16.128 1.00 0.00 O ATOM 0 H GLU A 107 -6.179 -4.411 11.047 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.985 -4.399 13.759 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -4.873 -3.461 12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.734 -2.284 11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.858 -1.255 14.005 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.610 -1.201 13.988 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.491 -2.191 11.792 1.00 0.00 N ATOM 1716 CA VAL A 108 -9.677 -1.365 11.665 1.00 0.00 C ATOM 1717 C VAL A 108 -10.925 -2.223 11.609 1.00 0.00 C ATOM 1718 O VAL A 108 -11.970 -1.825 12.089 1.00 0.00 O ATOM 1719 CB VAL A 108 -9.632 -0.439 10.412 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -8.382 0.405 10.414 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -9.733 -1.234 9.119 1.00 0.00 C ATOM 0 H VAL A 108 -7.847 -2.132 11.003 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.704 -0.729 12.550 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.499 0.220 10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.372 1.043 9.530 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.363 1.026 11.310 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.506 -0.243 10.403 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.698 -0.552 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.900 -1.935 9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.673 -1.785 9.103 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.796 -3.422 11.047 1.00 0.00 N ATOM 1732 CA LEU A 109 -11.926 -4.320 10.894 1.00 0.00 C ATOM 1733 C LEU A 109 -12.454 -4.765 12.246 1.00 0.00 C ATOM 1734 O LEU A 109 -13.666 -4.815 12.466 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.546 -5.542 10.059 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.662 -6.562 9.830 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -13.771 -5.969 8.973 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -12.105 -7.830 9.203 1.00 0.00 C ATOM 0 H LEU A 109 -9.914 -3.791 10.690 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.712 -3.772 10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.188 -5.199 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.712 -6.047 10.546 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.092 -6.823 10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.553 -6.713 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -14.191 -5.097 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -13.364 -5.672 8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.913 -8.544 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.644 -7.590 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.358 -8.266 9.866 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.544 -5.094 13.146 1.00 0.00 N ATOM 1751 CA GLU A 110 -11.918 -5.519 14.480 1.00 0.00 C ATOM 1752 C GLU A 110 -12.680 -4.428 15.200 1.00 0.00 C ATOM 1753 O GLU A 110 -13.689 -4.687 15.851 1.00 0.00 O ATOM 1754 CB GLU A 110 -10.687 -5.927 15.282 1.00 0.00 C ATOM 1755 CG GLU A 110 -10.053 -7.217 14.802 1.00 0.00 C ATOM 1756 CD GLU A 110 -11.016 -8.378 14.868 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -11.058 -9.055 15.910 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -11.747 -8.608 13.885 1.00 0.00 O ATOM 0 H GLU A 110 -10.539 -5.074 12.975 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.571 -6.387 14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.948 -5.127 15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.966 -6.036 16.330 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.706 -7.091 13.776 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.176 -7.438 15.410 1.00 0.00 H new ATOM 1765 N ARG A 111 -12.219 -3.202 15.057 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.875 -2.086 15.715 1.00 0.00 C ATOM 1767 C ARG A 111 -14.172 -1.726 15.004 1.00 0.00 C ATOM 1768 O ARG A 111 -15.181 -1.449 15.635 1.00 0.00 O ATOM 1769 CB ARG A 111 -11.949 -0.867 15.771 1.00 0.00 C ATOM 1770 CG ARG A 111 -10.667 -1.089 16.565 1.00 0.00 C ATOM 1771 CD ARG A 111 -10.957 -1.644 17.954 1.00 0.00 C ATOM 1772 NE ARG A 111 -11.998 -0.881 18.651 1.00 0.00 N ATOM 1773 CZ ARG A 111 -12.379 -1.101 19.908 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -11.784 -2.035 20.635 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -13.351 -0.373 20.437 1.00 0.00 N ATOM 0 H ARG A 111 -11.403 -2.953 14.498 1.00 0.00 H new ATOM 0 HA ARG A 111 -13.111 -2.390 16.735 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.687 -0.578 14.753 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.494 -0.031 16.210 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.019 -1.779 16.025 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -10.126 -0.147 16.655 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -11.268 -2.685 17.869 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.042 -1.632 18.546 1.00 0.00 H new ATOM 0 HE ARG A 111 -12.462 -0.131 18.138 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -11.029 -2.591 20.233 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -12.081 -2.198 21.597 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.805 0.353 19.882 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.646 -0.538 21.399 1.00 0.00 H new ATOM 1789 N MET A 112 -14.131 -1.778 13.694 1.00 0.00 N ATOM 1790 CA MET A 112 -15.259 -1.398 12.854 1.00 0.00 C ATOM 1791 C MET A 112 -16.444 -2.331 13.043 1.00 0.00 C ATOM 1792 O MET A 112 -17.558 -1.894 13.311 1.00 0.00 O ATOM 1793 CB MET A 112 -14.835 -1.411 11.392 1.00 0.00 C ATOM 1794 CG MET A 112 -15.760 -0.653 10.468 1.00 0.00 C ATOM 1795 SD MET A 112 -15.652 1.138 10.681 1.00 0.00 S ATOM 1796 CE MET A 112 -13.900 1.403 10.407 1.00 0.00 C ATOM 0 H MET A 112 -13.312 -2.086 13.170 1.00 0.00 H new ATOM 0 HA MET A 112 -15.569 -0.395 13.149 1.00 0.00 H new ATOM 0 HB2 MET A 112 -13.834 -0.987 11.313 1.00 0.00 H new ATOM 0 HB3 MET A 112 -14.771 -2.445 11.054 1.00 0.00 H new ATOM 0 HG2 MET A 112 -15.521 -0.906 9.435 1.00 0.00 H new ATOM 0 HG3 MET A 112 -16.786 -0.974 10.646 1.00 0.00 H new ATOM 0 HE1 MET A 112 -13.753 2.340 9.870 1.00 0.00 H new ATOM 0 HE2 MET A 112 -13.385 1.450 11.366 1.00 0.00 H new ATOM 0 HE3 MET A 112 -13.495 0.580 9.818 1.00 0.00 H new ATOM 1806 N LYS A 113 -16.183 -3.608 12.914 1.00 0.00 N ATOM 1807 CA LYS A 113 -17.222 -4.625 12.978 1.00 0.00 C ATOM 1808 C LYS A 113 -17.786 -4.768 14.396 1.00 0.00 C ATOM 1809 O LYS A 113 -19.003 -4.818 14.582 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.669 -5.965 12.458 1.00 0.00 C ATOM 1811 CG LYS A 113 -17.725 -6.988 12.037 1.00 0.00 C ATOM 1812 CD LYS A 113 -18.256 -7.789 13.215 1.00 0.00 C ATOM 1813 CE LYS A 113 -19.265 -8.829 12.759 1.00 0.00 C ATOM 1814 NZ LYS A 113 -19.687 -9.718 13.868 1.00 0.00 N ATOM 0 H LYS A 113 -15.246 -3.980 12.761 1.00 0.00 H new ATOM 0 HA LYS A 113 -18.049 -4.314 12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -16.020 -5.765 11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -16.047 -6.409 13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -18.552 -6.473 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -17.295 -7.669 11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -17.429 -8.280 13.727 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -18.722 -7.117 13.935 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -20.139 -8.328 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -18.831 -9.429 11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -20.573 -10.198 13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -18.947 -10.427 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -19.837 -9.153 14.728 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.907 -4.816 15.392 1.00 0.00 N ATOM 1829 CA GLN A 114 -17.349 -4.976 16.776 1.00 0.00 C ATOM 1830 C GLN A 114 -18.135 -3.765 17.266 1.00 0.00 C ATOM 1831 O GLN A 114 -19.220 -3.913 17.829 1.00 0.00 O ATOM 1832 CB GLN A 114 -16.173 -5.275 17.711 1.00 0.00 C ATOM 1833 CG GLN A 114 -15.892 -6.765 17.894 1.00 0.00 C ATOM 1834 CD GLN A 114 -15.542 -7.479 16.601 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -16.417 -7.971 15.891 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -14.263 -7.558 16.299 1.00 0.00 N ATOM 0 H GLN A 114 -15.896 -4.748 15.271 1.00 0.00 H new ATOM 0 HA GLN A 114 -18.021 -5.834 16.794 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -15.278 -4.792 17.319 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -16.374 -4.831 18.686 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.071 -6.888 18.601 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.768 -7.240 18.336 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.567 -7.137 16.914 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -13.968 -8.040 15.450 1.00 0.00 H new ATOM 1845 N GLU A 115 -17.602 -2.565 17.041 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.284 -1.346 17.464 1.00 0.00 C ATOM 1847 C GLU A 115 -19.588 -1.145 16.696 1.00 0.00 C ATOM 1848 O GLU A 115 -20.516 -0.506 17.196 1.00 0.00 O ATOM 1849 CB GLU A 115 -17.373 -0.128 17.323 1.00 0.00 C ATOM 1850 CG GLU A 115 -16.209 -0.124 18.306 1.00 0.00 C ATOM 1851 CD GLU A 115 -15.288 1.062 18.124 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -14.073 0.851 17.923 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -15.774 2.212 18.183 1.00 0.00 O ATOM 0 H GLU A 115 -16.709 -2.413 16.573 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.534 -1.458 18.519 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.980 -0.093 16.307 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.964 0.777 17.468 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.600 -0.121 19.324 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.636 -1.044 18.187 1.00 0.00 H new ATOM 1860 N GLU A 116 -19.659 -1.707 15.492 1.00 0.00 N ATOM 1861 CA GLU A 116 -20.868 -1.637 14.683 1.00 0.00 C ATOM 1862 C GLU A 116 -22.011 -2.309 15.435 1.00 0.00 C ATOM 1863 O GLU A 116 -23.022 -1.676 15.764 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.653 -2.344 13.345 1.00 0.00 C ATOM 1865 CG GLU A 116 -21.778 -2.136 12.348 1.00 0.00 C ATOM 1866 CD GLU A 116 -21.748 -0.761 11.724 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -22.181 0.207 12.378 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -21.283 -0.648 10.568 1.00 0.00 O ATOM 0 H GLU A 116 -18.890 -2.217 15.056 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.111 -0.592 14.492 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.721 -1.990 12.904 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -20.534 -3.412 13.525 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.708 -2.890 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -22.735 -2.284 12.848 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.834 -3.594 15.706 1.00 0.00 N ATOM 1876 CA GLU A 117 -22.810 -4.364 16.458 1.00 0.00 C ATOM 1877 C GLU A 117 -23.023 -3.772 17.841 1.00 0.00 C ATOM 1878 O GLU A 117 -24.138 -3.764 18.351 1.00 0.00 O ATOM 1879 CB GLU A 117 -22.366 -5.813 16.589 1.00 0.00 C ATOM 1880 CG GLU A 117 -22.171 -6.521 15.269 1.00 0.00 C ATOM 1881 CD GLU A 117 -21.869 -7.982 15.454 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -20.727 -8.316 15.815 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -22.775 -8.809 15.242 1.00 0.00 O ATOM 0 H GLU A 117 -21.016 -4.128 15.413 1.00 0.00 H new ATOM 0 HA GLU A 117 -23.752 -4.326 15.910 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -21.431 -5.846 17.148 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -23.107 -6.357 17.175 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -23.069 -6.410 14.662 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -21.356 -6.049 14.721 1.00 0.00 H new ATOM 1890 N ALA A 118 -21.953 -3.265 18.435 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.015 -2.688 19.767 1.00 0.00 C ATOM 1892 C ALA A 118 -23.036 -1.560 19.846 1.00 0.00 C ATOM 1893 O ALA A 118 -23.961 -1.614 20.654 1.00 0.00 O ATOM 1894 CB ALA A 118 -20.645 -2.192 20.201 1.00 0.00 C ATOM 0 H ALA A 118 -21.026 -3.242 18.011 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.337 -3.475 20.448 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -20.713 -1.764 21.201 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -19.942 -3.025 20.210 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -20.296 -1.431 19.503 1.00 0.00 H new ATOM 1900 N HIS A 119 -22.902 -0.563 18.975 1.00 0.00 N ATOM 1901 CA HIS A 119 -23.794 0.600 19.023 1.00 0.00 C ATOM 1902 C HIS A 119 -25.212 0.239 18.573 1.00 0.00 C ATOM 1903 O HIS A 119 -26.191 0.846 19.016 1.00 0.00 O ATOM 1904 CB HIS A 119 -23.238 1.791 18.196 1.00 0.00 C ATOM 1905 CG HIS A 119 -23.346 1.651 16.693 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -24.513 1.882 15.993 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -22.419 1.327 15.763 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -24.296 1.703 14.705 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -23.037 1.367 14.538 1.00 0.00 N ATOM 0 H HIS A 119 -22.198 -0.533 18.238 1.00 0.00 H new ATOM 0 HA HIS A 119 -23.843 0.918 20.065 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -23.765 2.696 18.497 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -22.189 1.932 18.455 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -21.384 1.082 15.950 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -25.029 1.814 13.920 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -22.591 1.168 13.643 1.00 0.00 H new