USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 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 26 THR OG1 : rot -24:sc= 1.12 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.673 K(o=1.8,f=-6.2!) USER MOD Set 2.1: A 55 TYR OH : rot -50:sc= 0.674 USER MOD Set 2.2: A 80 TYR OH : rot -43:sc= 1.07 USER MOD Single : A 12 MET CE :methyl 180:sc= -0.139 (180deg=-0.139) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.472 K(o=-0.47,f=-2.8!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0.0156 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -137:sc= 0 (180deg=-0.374) USER MOD Single : A 28 THR OG1 : rot 39:sc= 0.806 USER MOD Single : A 29 CYS SG : rot 5:sc= 0.267 USER MOD Single : A 34 ASN : amide:sc= -0.035 K(o=-0.035,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 0.902 (180deg=0.516) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 1.78 (180deg=1.67) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.479 USER MOD Single : A 54 HIS : no HD1:sc= -0.0389 K(o=-0.039,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0469 X(o=-0.047,f=-0.14) USER MOD Single : A 64 THR OG1 : rot 130:sc= 0.76 USER MOD Single : A 65 CYS SG : rot 17:sc= 0.902 USER MOD Single : A 66 SER OG : rot 33:sc=0.000506 USER MOD Single : A 69 THR OG1 : rot -91:sc= 0.0154 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 73 THR OG1 : rot -55:sc= 0.845 USER MOD Single : A 79 ASN : amide:sc= -0.0213 K(o=-0.021,f=-2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 169:sc= 0 (180deg=-0.108) USER MOD Single : A 86 ASN : amide:sc= -0.74! C(o=-0.74!,f=-9.3!) USER MOD Single : A 88 GLN : amide:sc= -0.042 X(o=-0.042,f=-0.087) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 90:sc= -0.253 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -164:sc= -0.0375 (180deg=-0.37) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.708 9.990 3.665 1.00 0.00 N ATOM 67 CA ALA A 7 -3.093 10.272 3.308 1.00 0.00 C ATOM 68 C ALA A 7 -3.714 11.279 4.266 1.00 0.00 C ATOM 69 O ALA A 7 -3.409 11.286 5.459 1.00 0.00 O ATOM 70 CB ALA A 7 -3.910 8.989 3.278 1.00 0.00 C ATOM 0 HA ALA A 7 -3.099 10.710 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.941 9.220 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.488 8.306 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.888 8.520 4.262 1.00 0.00 H new ATOM 76 N PRO A 8 -4.585 12.132 3.741 1.00 0.00 N ATOM 77 CA PRO A 8 -5.249 13.148 4.549 1.00 0.00 C ATOM 78 C PRO A 8 -5.964 12.524 5.743 1.00 0.00 C ATOM 79 O PRO A 8 -6.724 11.566 5.591 1.00 0.00 O ATOM 80 CB PRO A 8 -6.225 13.820 3.579 1.00 0.00 C ATOM 81 CG PRO A 8 -5.613 13.616 2.235 1.00 0.00 C ATOM 82 CD PRO A 8 -4.966 12.257 2.293 1.00 0.00 C ATOM 0 HA PRO A 8 -4.551 13.864 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.216 13.369 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.343 14.880 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.367 13.659 1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.879 14.392 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.653 11.468 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.096 12.195 1.639 1.00 0.00 H new ATOM 90 N PHE A 9 -5.714 13.068 6.928 1.00 0.00 N ATOM 91 CA PHE A 9 -6.445 12.670 8.124 1.00 0.00 C ATOM 92 C PHE A 9 -6.478 13.798 9.149 1.00 0.00 C ATOM 93 O PHE A 9 -5.437 14.294 9.576 1.00 0.00 O ATOM 94 CB PHE A 9 -5.820 11.417 8.739 1.00 0.00 C ATOM 95 CG PHE A 9 -6.497 10.957 9.999 1.00 0.00 C ATOM 96 CD1 PHE A 9 -7.667 10.214 9.944 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.966 11.268 11.242 1.00 0.00 C ATOM 98 CE1 PHE A 9 -8.290 9.791 11.102 1.00 0.00 C ATOM 99 CE2 PHE A 9 -6.586 10.845 12.401 1.00 0.00 C ATOM 100 CZ PHE A 9 -7.750 10.107 12.331 1.00 0.00 C ATOM 0 H PHE A 9 -5.009 13.788 7.086 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.471 12.446 7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.850 10.610 8.006 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.770 11.614 8.953 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.096 9.963 8.985 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.057 11.848 11.304 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.200 9.213 11.045 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.160 11.092 13.362 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.237 9.778 13.237 1.00 0.00 H new ATOM 110 N PHE A 10 -7.684 14.191 9.547 1.00 0.00 N ATOM 111 CA PHE A 10 -7.860 15.319 10.454 1.00 0.00 C ATOM 112 C PHE A 10 -7.372 14.978 11.856 1.00 0.00 C ATOM 113 O PHE A 10 -8.119 14.425 12.664 1.00 0.00 O ATOM 114 CB PHE A 10 -9.328 15.748 10.497 1.00 0.00 C ATOM 115 CG PHE A 10 -9.796 16.435 9.247 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.148 17.568 8.777 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.884 15.951 8.537 1.00 0.00 C ATOM 118 CE1 PHE A 10 -9.578 18.203 7.627 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.315 16.583 7.386 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.662 17.708 6.931 1.00 0.00 C ATOM 0 H PHE A 10 -8.554 13.745 9.255 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.261 16.148 10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.949 14.869 10.671 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.477 16.416 11.345 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.297 17.959 9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.401 15.070 8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.066 19.086 7.273 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.164 16.195 6.843 1.00 0.00 H new ATOM 0 HZ PHE A 10 -10.998 18.202 6.031 1.00 0.00 H new ATOM 130 N GLU A 11 -6.115 15.306 12.136 1.00 0.00 N ATOM 131 CA GLU A 11 -5.561 15.145 13.475 1.00 0.00 C ATOM 132 C GLU A 11 -6.289 16.028 14.481 1.00 0.00 C ATOM 133 O GLU A 11 -6.236 15.788 15.686 1.00 0.00 O ATOM 134 CB GLU A 11 -4.065 15.466 13.477 1.00 0.00 C ATOM 135 CG GLU A 11 -3.734 16.922 13.181 1.00 0.00 C ATOM 136 CD GLU A 11 -2.248 17.148 13.152 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.607 16.893 14.143 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.736 17.468 12.105 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.460 15.685 11.452 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.700 14.105 13.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.651 15.202 14.450 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.570 14.836 12.738 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.167 17.208 12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.187 17.562 13.939 1.00 0.00 H new ATOM 145 N MET A 12 -6.966 17.053 13.978 1.00 0.00 N ATOM 146 CA MET A 12 -7.847 17.873 14.807 1.00 0.00 C ATOM 147 C MET A 12 -9.164 18.156 14.096 1.00 0.00 C ATOM 148 O MET A 12 -9.236 19.022 13.224 1.00 0.00 O ATOM 149 CB MET A 12 -7.156 19.182 15.179 1.00 0.00 C ATOM 150 CG MET A 12 -7.965 20.081 16.104 1.00 0.00 C ATOM 151 SD MET A 12 -7.110 21.619 16.503 1.00 0.00 S ATOM 152 CE MET A 12 -7.338 22.538 14.985 1.00 0.00 C ATOM 0 H MET A 12 -6.923 17.338 13.000 1.00 0.00 H new ATOM 0 HA MET A 12 -8.067 17.317 15.718 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.204 18.953 15.657 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.930 19.731 14.265 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.921 20.313 15.634 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.185 19.543 17.026 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.863 23.515 15.076 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.887 21.991 14.157 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.403 22.669 14.795 1.00 0.00 H new ATOM 162 N LYS A 13 -10.206 17.422 14.479 1.00 0.00 N ATOM 163 CA LYS A 13 -11.481 17.480 13.774 1.00 0.00 C ATOM 164 C LYS A 13 -12.372 18.585 14.334 1.00 0.00 C ATOM 165 O LYS A 13 -12.087 19.145 15.394 1.00 0.00 O ATOM 166 CB LYS A 13 -12.197 16.131 13.857 1.00 0.00 C ATOM 167 CG LYS A 13 -11.511 15.006 13.094 1.00 0.00 C ATOM 168 CD LYS A 13 -12.298 13.708 13.196 1.00 0.00 C ATOM 169 CE LYS A 13 -11.607 12.581 12.443 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.373 11.308 12.521 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.191 16.781 15.273 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.276 17.708 12.728 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.283 15.843 14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.211 16.248 13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.404 15.287 12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.506 14.856 13.489 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.412 13.431 14.244 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.300 13.856 12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.482 12.866 11.398 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.609 12.429 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.868 10.566 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.470 11.022 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.317 11.445 12.106 1.00 0.00 H new ATOM 184 N LEU A 14 -13.443 18.896 13.615 1.00 0.00 N ATOM 185 CA LEU A 14 -14.409 19.885 14.068 1.00 0.00 C ATOM 186 C LEU A 14 -15.355 19.296 15.106 1.00 0.00 C ATOM 187 O LEU A 14 -15.577 18.087 15.144 1.00 0.00 O ATOM 188 CB LEU A 14 -15.200 20.438 12.876 1.00 0.00 C ATOM 189 CG LEU A 14 -14.371 21.214 11.846 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.232 21.568 10.642 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.804 22.471 12.491 1.00 0.00 C ATOM 0 H LEU A 14 -13.664 18.475 12.713 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.862 20.702 14.539 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.693 19.607 12.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.986 21.092 13.254 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.544 20.592 11.503 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.634 22.119 9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.609 20.654 10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.071 22.185 10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.215 23.022 11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.622 23.099 12.845 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.169 22.193 13.332 1.00 0.00 H new ATOM 203 N LYS A 15 -15.910 20.162 15.950 1.00 0.00 N ATOM 204 CA LYS A 15 -16.883 19.738 16.950 1.00 0.00 C ATOM 205 C LYS A 15 -18.252 20.351 16.683 1.00 0.00 C ATOM 206 O LYS A 15 -18.428 21.105 15.724 1.00 0.00 O ATOM 207 CB LYS A 15 -16.403 20.113 18.353 1.00 0.00 C ATOM 208 CG LYS A 15 -15.091 19.459 18.766 1.00 0.00 C ATOM 209 CD LYS A 15 -14.718 19.821 20.195 1.00 0.00 C ATOM 210 CE LYS A 15 -13.414 19.156 20.613 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.039 19.496 22.012 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.702 21.161 15.961 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.978 18.654 16.885 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.288 21.196 18.407 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.174 19.838 19.073 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.177 18.376 18.674 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.296 19.774 18.090 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.622 20.903 20.285 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.517 19.515 20.870 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.511 18.075 20.516 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.616 19.466 19.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.146 19.023 22.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.921 20.526 22.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.788 19.177 22.659 1.00 0.00 H new ATOM 225 N HIS A 16 -19.217 20.023 17.538 1.00 0.00 N ATOM 226 CA HIS A 16 -20.534 20.648 17.479 1.00 0.00 C ATOM 227 C HIS A 16 -20.493 22.068 18.024 1.00 0.00 C ATOM 228 O HIS A 16 -20.325 22.277 19.227 1.00 0.00 O ATOM 229 CB HIS A 16 -21.563 19.819 18.254 1.00 0.00 C ATOM 230 CG HIS A 16 -22.960 20.347 18.153 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.014 19.802 18.855 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.477 21.368 17.430 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.120 20.467 18.570 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.821 21.421 17.707 1.00 0.00 N ATOM 0 H HIS A 16 -19.112 19.329 18.278 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.833 20.690 16.432 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.544 18.794 17.884 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.272 19.784 19.304 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -23.950 19.010 19.494 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.934 22.019 16.761 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.101 20.265 18.974 1.00 0.00 H new ATOM 242 N TYR A 17 -20.647 23.045 17.136 1.00 0.00 N ATOM 243 CA TYR A 17 -20.517 24.449 17.508 1.00 0.00 C ATOM 244 C TYR A 17 -21.883 25.104 17.669 1.00 0.00 C ATOM 245 O TYR A 17 -22.837 24.750 16.977 1.00 0.00 O ATOM 246 CB TYR A 17 -19.691 25.204 16.464 1.00 0.00 C ATOM 247 CG TYR A 17 -18.302 24.643 16.258 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.336 24.754 17.247 1.00 0.00 C ATOM 249 CD2 TYR A 17 -17.959 24.004 15.075 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.066 24.245 17.065 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.691 23.490 14.882 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.747 23.612 15.881 1.00 0.00 C ATOM 253 OH TYR A 17 -14.482 23.103 15.694 1.00 0.00 O ATOM 0 H TYR A 17 -20.863 22.889 16.151 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.002 24.495 18.468 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.223 25.188 15.513 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.609 26.248 16.766 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.582 25.247 18.176 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.696 23.907 14.291 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.326 24.342 17.845 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.440 22.996 13.955 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.107 22.833 16.558 1.00 0.00 H new ATOM 263 N LYS A 18 -21.968 26.063 18.586 1.00 0.00 N ATOM 264 CA LYS A 18 -23.201 26.809 18.799 1.00 0.00 C ATOM 265 C LYS A 18 -22.928 28.303 18.923 1.00 0.00 C ATOM 266 O LYS A 18 -21.949 28.715 19.544 1.00 0.00 O ATOM 267 CB LYS A 18 -23.924 26.302 20.048 1.00 0.00 C ATOM 268 CG LYS A 18 -24.467 24.884 19.928 1.00 0.00 C ATOM 269 CD LYS A 18 -25.267 24.492 21.160 1.00 0.00 C ATOM 270 CE LYS A 18 -25.793 23.069 21.050 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.585 22.673 22.247 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.197 26.341 19.193 1.00 0.00 H new ATOM 0 HA LYS A 18 -23.840 26.651 17.930 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.237 26.345 20.893 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.750 26.977 20.274 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.098 24.808 19.043 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.641 24.186 19.791 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.640 24.582 22.047 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.102 25.181 21.288 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.414 22.980 20.159 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -24.956 22.382 20.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.925 21.697 22.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -25.986 22.733 23.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.399 23.312 22.352 1.00 0.00 H new ATOM 285 N ILE A 19 -23.799 29.109 18.328 1.00 0.00 N ATOM 286 CA ILE A 19 -23.634 30.560 18.345 1.00 0.00 C ATOM 287 C ILE A 19 -24.983 31.264 18.296 1.00 0.00 C ATOM 288 O ILE A 19 -25.943 30.755 17.721 1.00 0.00 O ATOM 289 CB ILE A 19 -22.769 31.047 17.168 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.432 32.531 17.331 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.481 30.801 15.847 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.583 32.835 18.544 1.00 0.00 C ATOM 0 H ILE A 19 -24.627 28.784 17.828 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.129 30.808 19.279 1.00 0.00 H new ATOM 0 HB ILE A 19 -21.837 30.481 17.165 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.910 32.875 16.438 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.360 33.099 17.397 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.856 31.151 15.026 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.671 29.734 15.729 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.428 31.341 15.838 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.386 33.906 18.591 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.111 32.523 19.445 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.639 32.296 18.472 1.00 0.00 H new ATOM 304 N PHE A 20 -25.051 32.445 18.908 1.00 0.00 N ATOM 305 CA PHE A 20 -26.269 33.244 18.899 1.00 0.00 C ATOM 306 C PHE A 20 -26.453 33.956 17.566 1.00 0.00 C ATOM 307 O PHE A 20 -25.481 34.357 16.926 1.00 0.00 O ATOM 308 CB PHE A 20 -26.247 34.263 20.040 1.00 0.00 C ATOM 309 CG PHE A 20 -26.465 33.657 21.397 1.00 0.00 C ATOM 310 CD1 PHE A 20 -27.699 33.132 21.748 1.00 0.00 C ATOM 311 CD2 PHE A 20 -25.435 33.611 22.325 1.00 0.00 C ATOM 312 CE1 PHE A 20 -27.902 32.575 22.996 1.00 0.00 C ATOM 313 CE2 PHE A 20 -25.635 33.054 23.574 1.00 0.00 C ATOM 314 CZ PHE A 20 -26.867 32.536 23.911 1.00 0.00 C ATOM 0 H PHE A 20 -24.274 32.868 19.416 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.112 32.568 19.042 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.288 34.781 20.033 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.016 35.014 19.859 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -28.512 33.159 21.037 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -24.467 34.015 22.069 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -28.869 32.170 23.256 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -24.824 33.025 24.287 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.023 32.101 24.887 1.00 0.00 H new ATOM 324 N GLU A 21 -27.706 34.107 17.151 1.00 0.00 N ATOM 325 CA GLU A 21 -28.017 34.704 15.857 1.00 0.00 C ATOM 326 C GLU A 21 -27.383 36.087 15.720 1.00 0.00 C ATOM 327 O GLU A 21 -27.608 36.965 16.550 1.00 0.00 O ATOM 328 CB GLU A 21 -29.531 34.798 15.661 1.00 0.00 C ATOM 329 CG GLU A 21 -29.958 35.308 14.291 1.00 0.00 C ATOM 330 CD GLU A 21 -31.455 35.382 14.178 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.122 35.006 15.112 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.931 35.919 13.206 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.523 33.824 17.692 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.599 34.060 15.083 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -29.968 33.812 15.820 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -29.944 35.457 16.425 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.529 36.295 14.118 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.565 34.649 13.517 1.00 0.00 H new ATOM 339 N GLY A 22 -26.592 36.265 14.669 1.00 0.00 N ATOM 340 CA GLY A 22 -26.052 37.576 14.332 1.00 0.00 C ATOM 341 C GLY A 22 -24.658 37.765 14.917 1.00 0.00 C ATOM 342 O GLY A 22 -23.959 38.723 14.584 1.00 0.00 O ATOM 0 H GLY A 22 -26.310 35.517 14.035 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.013 37.688 13.249 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.716 38.354 14.709 1.00 0.00 H new ATOM 346 N MET A 23 -24.259 36.847 15.788 1.00 0.00 N ATOM 347 CA MET A 23 -22.982 36.953 16.484 1.00 0.00 C ATOM 348 C MET A 23 -21.871 36.262 15.707 1.00 0.00 C ATOM 349 O MET A 23 -22.119 35.326 14.947 1.00 0.00 O ATOM 350 CB MET A 23 -23.093 36.357 17.886 1.00 0.00 C ATOM 351 CG MET A 23 -24.168 36.994 18.756 1.00 0.00 C ATOM 352 SD MET A 23 -23.893 38.757 19.022 1.00 0.00 S ATOM 353 CE MET A 23 -22.474 38.718 20.112 1.00 0.00 C ATOM 0 H MET A 23 -24.802 36.018 16.030 1.00 0.00 H new ATOM 0 HA MET A 23 -22.730 38.010 16.565 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.298 35.290 17.799 1.00 0.00 H new ATOM 0 HB3 MET A 23 -22.130 36.457 18.387 1.00 0.00 H new ATOM 0 HG2 MET A 23 -25.142 36.849 18.288 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.198 36.486 19.720 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.611 39.444 20.914 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.371 37.721 20.539 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.575 38.966 19.548 1.00 0.00 H new ATOM 363 N PRO A 24 -20.642 36.727 15.903 1.00 0.00 N ATOM 364 CA PRO A 24 -19.483 36.132 15.244 1.00 0.00 C ATOM 365 C PRO A 24 -19.111 34.798 15.881 1.00 0.00 C ATOM 366 O PRO A 24 -19.367 34.569 17.060 1.00 0.00 O ATOM 367 CB PRO A 24 -18.379 37.179 15.412 1.00 0.00 C ATOM 368 CG PRO A 24 -18.719 37.879 16.682 1.00 0.00 C ATOM 369 CD PRO A 24 -20.224 37.916 16.725 1.00 0.00 C ATOM 0 HA PRO A 24 -19.667 35.900 14.195 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.395 36.713 15.467 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.357 37.872 14.571 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.314 37.349 17.544 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.300 38.885 16.701 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.596 37.845 17.747 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.612 38.845 16.308 1.00 0.00 H new ATOM 377 N VAL A 25 -18.499 33.920 15.088 1.00 0.00 N ATOM 378 CA VAL A 25 -18.025 32.638 15.589 1.00 0.00 C ATOM 379 C VAL A 25 -16.842 32.133 14.773 1.00 0.00 C ATOM 380 O VAL A 25 -16.865 32.164 13.542 1.00 0.00 O ATOM 381 CB VAL A 25 -19.143 31.578 15.571 1.00 0.00 C ATOM 382 CG1 VAL A 25 -19.652 31.366 14.154 1.00 0.00 C ATOM 383 CG2 VAL A 25 -18.641 30.266 16.157 1.00 0.00 C ATOM 0 H VAL A 25 -18.321 34.076 14.096 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.708 32.798 16.619 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.969 31.937 16.185 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.441 30.614 14.160 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.047 32.304 13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.833 31.027 13.520 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -19.443 29.528 16.137 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.799 29.903 15.568 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -18.321 30.426 17.187 1.00 0.00 H new ATOM 393 N THR A 26 -15.808 31.664 15.467 1.00 0.00 N ATOM 394 CA THR A 26 -14.602 31.177 14.805 1.00 0.00 C ATOM 395 C THR A 26 -14.347 29.711 15.142 1.00 0.00 C ATOM 396 O THR A 26 -14.450 29.304 16.301 1.00 0.00 O ATOM 397 CB THR A 26 -13.365 32.007 15.200 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.594 33.387 14.884 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.135 31.518 14.452 1.00 0.00 C ATOM 0 H THR A 26 -15.781 31.611 16.485 1.00 0.00 H new ATOM 0 HA THR A 26 -14.767 31.279 13.732 1.00 0.00 H new ATOM 0 HB THR A 26 -13.196 31.894 16.271 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.270 33.453 14.178 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.271 32.115 14.743 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.952 30.472 14.697 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.299 31.616 13.379 1.00 0.00 H new ATOM 407 N PHE A 27 -14.011 28.926 14.127 1.00 0.00 N ATOM 408 CA PHE A 27 -13.632 27.532 14.328 1.00 0.00 C ATOM 409 C PHE A 27 -12.640 27.073 13.264 1.00 0.00 C ATOM 410 O PHE A 27 -12.602 27.621 12.163 1.00 0.00 O ATOM 411 CB PHE A 27 -14.871 26.635 14.316 1.00 0.00 C ATOM 412 CG PHE A 27 -15.767 26.853 13.130 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.738 27.843 13.149 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.639 26.069 11.993 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.563 28.045 12.060 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.462 26.270 10.901 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.425 27.257 10.934 1.00 0.00 C ATOM 0 H PHE A 27 -13.993 29.231 13.154 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.148 27.453 15.301 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.553 25.592 14.333 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.442 26.809 15.228 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.850 28.463 14.026 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.888 25.293 11.961 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.316 28.819 12.089 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.351 25.654 10.021 1.00 0.00 H new ATOM 0 HZ PHE A 27 -18.069 27.413 10.082 1.00 0.00 H new ATOM 427 N THR A 28 -11.845 26.066 13.603 1.00 0.00 N ATOM 428 CA THR A 28 -10.694 25.694 12.787 1.00 0.00 C ATOM 429 C THR A 28 -10.439 24.193 12.847 1.00 0.00 C ATOM 430 O THR A 28 -10.925 23.507 13.749 1.00 0.00 O ATOM 431 CB THR A 28 -9.421 26.438 13.232 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.352 26.144 12.322 1.00 0.00 O ATOM 433 CG2 THR A 28 -9.018 26.014 14.636 1.00 0.00 C ATOM 0 H THR A 28 -11.975 25.492 14.436 1.00 0.00 H new ATOM 0 HA THR A 28 -10.931 25.979 11.762 1.00 0.00 H new ATOM 0 HB THR A 28 -9.624 27.509 13.232 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.700 26.115 11.406 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.117 26.550 14.933 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.824 26.246 15.332 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.824 24.942 14.651 1.00 0.00 H new ATOM 441 N CYS A 29 -9.674 23.687 11.886 1.00 0.00 N ATOM 442 CA CYS A 29 -9.390 22.260 11.804 1.00 0.00 C ATOM 443 C CYS A 29 -7.998 22.007 11.236 1.00 0.00 C ATOM 444 O CYS A 29 -7.509 22.776 10.406 1.00 0.00 O ATOM 445 CB CYS A 29 -10.464 21.755 10.841 1.00 0.00 C ATOM 446 SG CYS A 29 -10.570 19.954 10.712 1.00 0.00 S ATOM 0 H CYS A 29 -9.239 24.246 11.152 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.406 21.765 12.775 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.432 22.141 11.161 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.269 22.167 9.851 1.00 0.00 H new ATOM 0 HG CYS A 29 -9.758 19.409 11.568 1.00 0.00 H new ATOM 452 N ARG A 30 -7.365 20.931 11.688 1.00 0.00 N ATOM 453 CA ARG A 30 -5.998 20.627 11.294 1.00 0.00 C ATOM 454 C ARG A 30 -5.889 19.214 10.729 1.00 0.00 C ATOM 455 O ARG A 30 -6.512 18.281 11.238 1.00 0.00 O ATOM 456 CB ARG A 30 -5.010 20.851 12.430 1.00 0.00 C ATOM 457 CG ARG A 30 -3.560 20.552 12.085 1.00 0.00 C ATOM 458 CD ARG A 30 -2.611 20.733 13.214 1.00 0.00 C ATOM 459 NE ARG A 30 -2.423 22.114 13.627 1.00 0.00 N ATOM 460 CZ ARG A 30 -1.841 22.495 14.780 1.00 0.00 C ATOM 461 NH1 ARG A 30 -1.425 21.607 15.655 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 -1.721 23.789 15.021 1.00 0.00 N ATOM 0 H ARG A 30 -7.779 20.254 12.329 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.730 21.325 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.084 21.888 12.757 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.303 20.228 13.275 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.489 19.525 11.727 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.254 21.198 11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.968 20.157 14.068 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.644 20.317 12.930 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.755 22.846 12.999 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.541 20.611 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.986 21.913 16.523 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.065 24.468 14.342 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.285 24.108 15.886 1.00 0.00 H new ATOM 476 N VAL A 31 -5.095 19.066 9.674 1.00 0.00 N ATOM 477 CA VAL A 31 -4.971 17.787 8.983 1.00 0.00 C ATOM 478 C VAL A 31 -3.514 17.340 8.907 1.00 0.00 C ATOM 479 O VAL A 31 -2.633 18.126 8.567 1.00 0.00 O ATOM 480 CB VAL A 31 -5.552 17.856 7.558 1.00 0.00 C ATOM 481 CG1 VAL A 31 -4.800 18.884 6.727 1.00 0.00 C ATOM 482 CG2 VAL A 31 -5.496 16.490 6.892 1.00 0.00 C ATOM 0 H VAL A 31 -4.528 19.816 9.278 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.541 17.060 9.562 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.596 18.163 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.223 18.920 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.889 19.865 7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.748 18.605 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.911 16.558 5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.460 16.155 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.077 15.776 7.476 1.00 0.00 H new ATOM 492 N ALA A 32 -3.274 16.074 9.228 1.00 0.00 N ATOM 493 CA ALA A 32 -1.936 15.507 9.147 1.00 0.00 C ATOM 494 C ALA A 32 -1.698 14.844 7.795 1.00 0.00 C ATOM 495 O ALA A 32 -1.522 13.629 7.712 1.00 0.00 O ATOM 496 CB ALA A 32 -1.711 14.510 10.276 1.00 0.00 C ATOM 0 H ALA A 32 -3.990 15.421 9.547 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.220 16.322 9.252 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.706 14.096 10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.824 15.015 11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.442 13.705 10.201 1.00 0.00 H new ATOM 502 N GLY A 33 -1.698 15.649 6.740 1.00 0.00 N ATOM 503 CA GLY A 33 -1.554 15.135 5.383 1.00 0.00 C ATOM 504 C GLY A 33 -0.188 15.475 4.807 1.00 0.00 C ATOM 505 O GLY A 33 0.479 16.400 5.268 1.00 0.00 O ATOM 0 H GLY A 33 -1.796 16.663 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.692 14.054 5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.334 15.555 4.748 1.00 0.00 H new ATOM 509 N ASN A 34 0.230 14.720 3.789 1.00 0.00 N ATOM 510 CA ASN A 34 1.494 14.978 3.106 1.00 0.00 C ATOM 511 C ASN A 34 1.464 14.445 1.693 1.00 0.00 C ATOM 512 O ASN A 34 1.511 13.234 1.467 1.00 0.00 O ATOM 513 CB ASN A 34 2.660 14.336 3.912 1.00 0.00 C ATOM 514 CG ASN A 34 4.085 14.703 3.483 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.344 15.095 2.355 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.057 14.569 4.345 1.00 0.00 N ATOM 0 H ASN A 34 -0.291 13.924 3.421 1.00 0.00 H new ATOM 0 HA ASN A 34 1.650 16.055 3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.540 14.611 4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.557 13.253 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.015 14.790 4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.858 14.243 5.291 1.00 0.00 H new ATOM 523 N PRO A 35 1.414 15.355 0.725 1.00 0.00 N ATOM 524 CA PRO A 35 1.582 16.774 1.005 1.00 0.00 C ATOM 525 C PRO A 35 0.339 17.359 1.665 1.00 0.00 C ATOM 526 O PRO A 35 -0.722 16.739 1.668 1.00 0.00 O ATOM 527 CB PRO A 35 1.852 17.399 -0.369 1.00 0.00 C ATOM 528 CG PRO A 35 2.234 16.244 -1.233 1.00 0.00 C ATOM 529 CD PRO A 35 1.447 15.073 -0.702 1.00 0.00 C ATOM 0 HA PRO A 35 2.392 16.970 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.969 17.909 -0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.651 18.139 -0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.993 16.438 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.306 16.053 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.447 15.025 -1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.933 14.122 -0.919 1.00 0.00 H new ATOM 537 N LYS A 36 0.485 18.559 2.224 1.00 0.00 N ATOM 538 CA LYS A 36 -0.620 19.217 2.912 1.00 0.00 C ATOM 539 C LYS A 36 -1.800 19.434 1.970 1.00 0.00 C ATOM 540 O LYS A 36 -1.698 20.178 0.996 1.00 0.00 O ATOM 541 CB LYS A 36 -0.166 20.552 3.503 1.00 0.00 C ATOM 542 CG LYS A 36 0.520 20.439 4.859 1.00 0.00 C ATOM 543 CD LYS A 36 1.759 19.560 4.781 1.00 0.00 C ATOM 544 CE LYS A 36 2.325 19.275 6.164 1.00 0.00 C ATOM 545 NZ LYS A 36 1.371 18.503 7.007 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.354 19.092 2.213 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.944 18.565 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.517 21.032 2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.033 21.206 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.798 21.432 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.177 20.025 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.510 18.621 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.517 20.050 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.257 18.718 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.567 20.216 6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.882 18.070 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.637 19.142 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.927 17.757 6.434 1.00 0.00 H new ATOM 559 N PRO A 37 -2.918 18.781 2.271 1.00 0.00 N ATOM 560 CA PRO A 37 -4.092 18.836 1.406 1.00 0.00 C ATOM 561 C PRO A 37 -4.592 20.266 1.247 1.00 0.00 C ATOM 562 O PRO A 37 -4.394 21.105 2.124 1.00 0.00 O ATOM 563 CB PRO A 37 -5.118 17.940 2.108 1.00 0.00 C ATOM 564 CG PRO A 37 -4.293 17.008 2.930 1.00 0.00 C ATOM 565 CD PRO A 37 -3.106 17.817 3.385 1.00 0.00 C ATOM 0 HA PRO A 37 -3.885 18.497 0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.797 18.524 2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.732 17.398 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.859 16.629 3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.978 16.143 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.300 18.324 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.224 17.193 3.533 1.00 0.00 H new ATOM 573 N LYS A 38 -5.245 20.538 0.120 1.00 0.00 N ATOM 574 CA LYS A 38 -5.825 21.851 -0.130 1.00 0.00 C ATOM 575 C LYS A 38 -7.188 21.994 0.532 1.00 0.00 C ATOM 576 O LYS A 38 -8.217 22.030 -0.142 1.00 0.00 O ATOM 577 CB LYS A 38 -5.945 22.103 -1.634 1.00 0.00 C ATOM 578 CG LYS A 38 -4.611 22.194 -2.365 1.00 0.00 C ATOM 579 CD LYS A 38 -4.809 22.512 -3.839 1.00 0.00 C ATOM 580 CE LYS A 38 -3.477 22.613 -4.568 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.656 22.897 -6.018 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.385 19.865 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.158 22.595 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.535 21.302 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.496 23.030 -1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.993 22.965 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.073 21.251 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.421 21.737 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.353 23.451 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.875 23.401 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.925 21.681 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.725 22.958 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.209 22.133 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.160 23.799 -6.135 1.00 0.00 H new ATOM 595 N ILE A 39 -7.190 22.065 1.861 1.00 0.00 N ATOM 596 CA ILE A 39 -8.429 22.109 2.626 1.00 0.00 C ATOM 597 C ILE A 39 -9.449 23.029 1.964 1.00 0.00 C ATOM 598 O ILE A 39 -9.170 24.199 1.703 1.00 0.00 O ATOM 599 CB ILE A 39 -8.186 22.583 4.072 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.425 21.515 4.862 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.505 22.915 4.752 1.00 0.00 C ATOM 602 CD1 ILE A 39 -7.007 21.961 6.244 1.00 0.00 C ATOM 0 H ILE A 39 -6.344 22.093 2.430 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.821 21.092 2.650 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.579 23.488 4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.051 20.627 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.537 21.224 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.315 23.248 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.010 23.708 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.138 22.028 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.474 21.151 6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.354 22.830 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.891 22.224 6.825 1.00 0.00 H new ATOM 614 N TYR A 40 -10.635 22.492 1.695 1.00 0.00 N ATOM 615 CA TYR A 40 -11.743 23.292 1.190 1.00 0.00 C ATOM 616 C TYR A 40 -12.860 23.401 2.221 1.00 0.00 C ATOM 617 O TYR A 40 -13.123 22.455 2.966 1.00 0.00 O ATOM 618 CB TYR A 40 -12.286 22.694 -0.110 1.00 0.00 C ATOM 619 CG TYR A 40 -11.264 22.615 -1.223 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.830 23.760 -1.872 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.736 21.395 -1.621 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.897 23.695 -2.889 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.802 21.318 -2.636 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.386 22.471 -3.267 1.00 0.00 C ATOM 625 OH TYR A 40 -8.456 22.400 -4.281 1.00 0.00 O ATOM 0 H TYR A 40 -10.853 21.503 1.819 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.365 24.295 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.666 21.693 0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.132 23.293 -0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.228 24.720 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.061 20.490 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.570 24.597 -3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.400 20.361 -2.933 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.197 21.465 -4.423 1.00 0.00 H new ATOM 635 N TRP A 41 -13.515 24.555 2.256 1.00 0.00 N ATOM 636 CA TRP A 41 -14.710 24.732 3.076 1.00 0.00 C ATOM 637 C TRP A 41 -15.958 24.845 2.212 1.00 0.00 C ATOM 638 O TRP A 41 -15.951 25.502 1.172 1.00 0.00 O ATOM 639 CB TRP A 41 -14.571 25.973 3.961 1.00 0.00 C ATOM 640 CG TRP A 41 -13.555 25.819 5.052 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.234 26.150 4.989 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.778 25.296 6.368 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.619 25.865 6.182 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.547 25.341 7.046 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.901 24.796 7.038 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.403 24.905 8.354 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.756 24.360 8.349 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.544 24.413 8.989 1.00 0.00 C ATOM 0 H TRP A 41 -13.240 25.383 1.727 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.813 23.852 3.711 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.297 26.825 3.338 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.539 26.202 4.407 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.743 26.575 4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.633 26.018 6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.861 24.750 6.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.449 24.944 8.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.615 23.971 8.875 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.471 24.066 10.009 1.00 0.00 H new ATOM 659 N PHE A 42 -17.034 24.199 2.652 1.00 0.00 N ATOM 660 CA PHE A 42 -18.340 24.376 2.034 1.00 0.00 C ATOM 661 C PHE A 42 -19.464 24.124 3.032 1.00 0.00 C ATOM 662 O PHE A 42 -19.341 23.276 3.916 1.00 0.00 O ATOM 663 CB PHE A 42 -18.490 23.447 0.828 1.00 0.00 C ATOM 664 CG PHE A 42 -18.234 22.001 1.141 1.00 0.00 C ATOM 665 CD1 PHE A 42 -16.942 21.495 1.147 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.283 21.141 1.434 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.704 20.165 1.433 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.047 19.811 1.722 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.759 19.323 1.722 1.00 0.00 C ATOM 0 H PHE A 42 -17.025 23.547 3.436 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.411 25.410 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.498 23.549 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.801 23.767 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.112 22.149 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.296 21.516 1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.693 19.784 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.873 19.153 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.575 18.283 1.948 1.00 0.00 H new ATOM 679 N LYS A 43 -20.555 24.864 2.887 1.00 0.00 N ATOM 680 CA LYS A 43 -21.655 24.807 3.843 1.00 0.00 C ATOM 681 C LYS A 43 -22.881 24.139 3.236 1.00 0.00 C ATOM 682 O LYS A 43 -23.531 24.697 2.354 1.00 0.00 O ATOM 683 CB LYS A 43 -22.011 26.212 4.334 1.00 0.00 C ATOM 684 CG LYS A 43 -22.955 26.238 5.529 1.00 0.00 C ATOM 685 CD LYS A 43 -24.407 26.327 5.086 1.00 0.00 C ATOM 686 CE LYS A 43 -25.324 26.670 6.252 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.745 26.350 5.956 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.703 25.513 2.114 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.327 24.207 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.092 26.735 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.467 26.766 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.810 25.339 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.714 27.089 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.506 27.084 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.714 25.378 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.005 26.120 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.232 27.731 6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.312 26.454 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.103 27.000 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.816 25.371 5.611 1.00 0.00 H new ATOM 701 N ASP A 44 -23.191 22.936 3.712 1.00 0.00 N ATOM 702 CA ASP A 44 -24.283 22.148 3.151 1.00 0.00 C ATOM 703 C ASP A 44 -24.129 21.991 1.644 1.00 0.00 C ATOM 704 O ASP A 44 -25.117 21.930 0.913 1.00 0.00 O ATOM 705 CB ASP A 44 -25.633 22.792 3.477 1.00 0.00 C ATOM 706 CG ASP A 44 -26.007 22.757 4.952 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.328 22.094 5.702 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.865 23.510 5.345 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.701 22.486 4.485 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.246 21.157 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.617 23.830 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.411 22.286 2.905 1.00 0.00 H new ATOM 713 N GLY A 45 -22.886 21.923 1.184 1.00 0.00 N ATOM 714 CA GLY A 45 -22.603 21.698 -0.228 1.00 0.00 C ATOM 715 C GLY A 45 -22.340 23.014 -0.951 1.00 0.00 C ATOM 716 O GLY A 45 -22.091 23.031 -2.157 1.00 0.00 O ATOM 0 H GLY A 45 -22.056 22.021 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.736 21.045 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.445 21.185 -0.694 1.00 0.00 H new ATOM 720 N LYS A 46 -22.401 24.114 -0.207 1.00 0.00 N ATOM 721 CA LYS A 46 -22.197 25.437 -0.783 1.00 0.00 C ATOM 722 C LYS A 46 -20.750 25.889 -0.630 1.00 0.00 C ATOM 723 O LYS A 46 -20.334 26.325 0.445 1.00 0.00 O ATOM 724 CB LYS A 46 -23.137 26.455 -0.134 1.00 0.00 C ATOM 725 CG LYS A 46 -24.618 26.163 -0.338 1.00 0.00 C ATOM 726 CD LYS A 46 -25.488 27.171 0.397 1.00 0.00 C ATOM 727 CE LYS A 46 -26.967 26.912 0.153 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.825 27.960 0.766 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.590 24.115 0.795 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.423 25.374 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.930 26.492 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.915 27.444 -0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.852 26.186 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.845 25.157 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.280 27.122 1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.235 28.179 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.156 26.871 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.237 25.938 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.825 27.745 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.665 27.983 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.586 28.886 0.358 1.00 0.00 H new ATOM 742 N GLN A 47 -19.982 25.781 -1.710 1.00 0.00 N ATOM 743 CA GLN A 47 -18.567 26.123 -1.681 1.00 0.00 C ATOM 744 C GLN A 47 -18.346 27.514 -1.100 1.00 0.00 C ATOM 745 O GLN A 47 -18.987 28.477 -1.518 1.00 0.00 O ATOM 746 CB GLN A 47 -17.970 26.050 -3.089 1.00 0.00 C ATOM 747 CG GLN A 47 -16.471 26.285 -3.143 1.00 0.00 C ATOM 748 CD GLN A 47 -15.916 26.169 -4.550 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.665 25.996 -5.515 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.597 26.259 -4.674 1.00 0.00 N ATOM 0 H GLN A 47 -20.318 25.458 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.065 25.399 -1.040 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.188 25.070 -3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.465 26.788 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.247 27.276 -2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.970 25.564 -2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.016 26.402 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.165 26.185 -5.595 1.00 0.00 H new ATOM 759 N ILE A 48 -17.436 27.610 -0.137 1.00 0.00 N ATOM 760 CA ILE A 48 -17.136 28.881 0.509 1.00 0.00 C ATOM 761 C ILE A 48 -15.844 29.479 -0.027 1.00 0.00 C ATOM 762 O ILE A 48 -14.794 28.836 -0.003 1.00 0.00 O ATOM 763 CB ILE A 48 -17.021 28.724 2.037 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.352 28.251 2.625 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.590 30.036 2.675 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.268 27.844 4.079 1.00 0.00 C ATOM 0 H ILE A 48 -16.893 26.821 0.213 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.965 29.552 0.282 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.262 27.972 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.087 29.049 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.716 27.405 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.514 29.908 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.621 30.334 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.327 30.808 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.250 27.521 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.558 27.024 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.935 28.693 4.676 1.00 0.00 H new ATOM 778 N SER A 49 -15.922 30.714 -0.505 1.00 0.00 N ATOM 779 CA SER A 49 -14.740 31.439 -0.960 1.00 0.00 C ATOM 780 C SER A 49 -14.091 32.206 0.184 1.00 0.00 C ATOM 781 O SER A 49 -14.775 32.864 0.972 1.00 0.00 O ATOM 782 CB SER A 49 -15.106 32.382 -2.089 1.00 0.00 C ATOM 783 OG SER A 49 -14.024 33.183 -2.477 1.00 0.00 O ATOM 0 H SER A 49 -16.794 31.237 -0.588 1.00 0.00 H new ATOM 0 HA SER A 49 -14.017 30.711 -1.328 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.454 31.804 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.934 33.018 -1.776 1.00 0.00 H new ATOM 0 HG SER A 49 -14.301 33.775 -3.207 1.00 0.00 H new ATOM 789 N PRO A 50 -12.768 32.115 0.274 1.00 0.00 N ATOM 790 CA PRO A 50 -12.021 32.831 1.304 1.00 0.00 C ATOM 791 C PRO A 50 -12.323 34.325 1.266 1.00 0.00 C ATOM 792 O PRO A 50 -12.407 34.924 0.196 1.00 0.00 O ATOM 793 CB PRO A 50 -10.554 32.530 0.977 1.00 0.00 C ATOM 794 CG PRO A 50 -10.595 31.236 0.239 1.00 0.00 C ATOM 795 CD PRO A 50 -11.862 31.279 -0.573 1.00 0.00 C ATOM 0 HA PRO A 50 -12.286 32.517 2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.113 33.320 0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.953 32.451 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.721 31.122 -0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.598 30.391 0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.699 31.725 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.270 30.282 -0.740 1.00 0.00 H new ATOM 803 N LYS A 51 -12.482 34.919 2.444 1.00 0.00 N ATOM 804 CA LYS A 51 -12.726 36.353 2.548 1.00 0.00 C ATOM 805 C LYS A 51 -13.988 36.754 1.794 1.00 0.00 C ATOM 806 O LYS A 51 -13.946 37.602 0.902 1.00 0.00 O ATOM 807 CB LYS A 51 -11.526 37.141 2.022 1.00 0.00 C ATOM 808 CG LYS A 51 -10.232 36.902 2.789 1.00 0.00 C ATOM 809 CD LYS A 51 -9.091 37.733 2.222 1.00 0.00 C ATOM 810 CE LYS A 51 -7.802 37.508 2.998 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.658 38.256 2.407 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.446 34.431 3.339 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.870 36.590 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.367 36.882 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.762 38.205 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.379 37.151 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.971 35.845 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.937 37.475 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.357 38.789 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.943 37.819 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.570 36.443 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.799 38.075 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.506 37.941 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.868 39.275 2.415 1.00 0.00 H new ATOM 825 N SER A 52 -15.109 36.139 2.155 1.00 0.00 N ATOM 826 CA SER A 52 -16.390 36.455 1.535 1.00 0.00 C ATOM 827 C SER A 52 -17.158 37.484 2.351 1.00 0.00 C ATOM 828 O SER A 52 -16.582 38.196 3.176 1.00 0.00 O ATOM 829 CB SER A 52 -17.215 35.195 1.365 1.00 0.00 C ATOM 830 OG SER A 52 -18.346 35.408 0.568 1.00 0.00 O ATOM 0 H SER A 52 -15.156 35.418 2.875 1.00 0.00 H new ATOM 0 HA SER A 52 -16.193 36.885 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.598 34.416 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.526 34.831 2.344 1.00 0.00 H new ATOM 0 HG SER A 52 -18.848 34.571 0.483 1.00 0.00 H new ATOM 836 N ASP A 53 -18.462 37.568 2.110 1.00 0.00 N ATOM 837 CA ASP A 53 -19.306 38.542 2.793 1.00 0.00 C ATOM 838 C ASP A 53 -19.188 38.412 4.306 1.00 0.00 C ATOM 839 O ASP A 53 -19.058 39.406 5.017 1.00 0.00 O ATOM 840 CB ASP A 53 -20.767 38.378 2.365 1.00 0.00 C ATOM 841 CG ASP A 53 -21.065 38.854 0.950 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.230 39.512 0.376 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.052 38.428 0.397 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.958 36.973 1.446 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.961 39.536 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.041 37.326 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.401 38.927 3.061 1.00 0.00 H new ATOM 848 N HIS A 54 -19.237 37.177 4.794 1.00 0.00 N ATOM 849 CA HIS A 54 -19.121 36.908 6.221 1.00 0.00 C ATOM 850 C HIS A 54 -18.200 35.729 6.491 1.00 0.00 C ATOM 851 O HIS A 54 -17.906 35.408 7.643 1.00 0.00 O ATOM 852 CB HIS A 54 -20.501 36.644 6.835 1.00 0.00 C ATOM 853 CG HIS A 54 -21.430 37.815 6.753 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.298 38.928 7.556 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.504 38.045 5.962 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.253 39.793 7.263 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.998 39.281 6.299 1.00 0.00 N ATOM 0 H HIS A 54 -19.357 36.344 4.218 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.687 37.793 6.687 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.957 35.793 6.329 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.376 36.363 7.881 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.898 37.381 5.207 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.400 40.755 7.732 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.809 39.731 5.874 1.00 0.00 H new ATOM 865 N TYR A 55 -17.748 35.083 5.421 1.00 0.00 N ATOM 866 CA TYR A 55 -16.982 33.846 5.541 1.00 0.00 C ATOM 867 C TYR A 55 -15.507 34.083 5.243 1.00 0.00 C ATOM 868 O TYR A 55 -15.082 34.062 4.088 1.00 0.00 O ATOM 869 CB TYR A 55 -17.541 32.775 4.603 1.00 0.00 C ATOM 870 CG TYR A 55 -18.940 32.321 4.954 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.445 32.503 6.232 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.752 31.714 4.006 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.727 32.090 6.558 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.030 31.300 4.320 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.513 31.488 5.597 1.00 0.00 C ATOM 876 OH TYR A 55 -22.787 31.077 5.916 1.00 0.00 O ATOM 0 H TYR A 55 -17.898 35.395 4.461 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.072 33.497 6.570 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.540 33.162 3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.876 31.912 4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.830 32.974 6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.377 31.563 3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.108 32.238 7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.649 30.831 3.569 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.762 30.543 6.737 1.00 0.00 H new ATOM 886 N THR A 56 -14.723 34.307 6.294 1.00 0.00 N ATOM 887 CA THR A 56 -13.295 34.554 6.150 1.00 0.00 C ATOM 888 C THR A 56 -12.490 33.294 6.422 1.00 0.00 C ATOM 889 O THR A 56 -12.606 32.686 7.487 1.00 0.00 O ATOM 890 CB THR A 56 -12.816 35.671 7.097 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.508 36.889 6.792 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.319 35.891 6.949 1.00 0.00 C ATOM 0 H THR A 56 -15.056 34.322 7.258 1.00 0.00 H new ATOM 0 HA THR A 56 -13.133 34.870 5.119 1.00 0.00 H new ATOM 0 HB THR A 56 -13.028 35.372 8.124 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.204 37.598 7.396 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.999 36.683 7.626 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.790 34.970 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.093 36.178 5.922 1.00 0.00 H new ATOM 900 N ILE A 57 -11.666 32.901 5.454 1.00 0.00 N ATOM 901 CA ILE A 57 -10.872 31.681 5.569 1.00 0.00 C ATOM 902 C ILE A 57 -9.390 32.001 5.705 1.00 0.00 C ATOM 903 O ILE A 57 -8.816 32.702 4.868 1.00 0.00 O ATOM 904 CB ILE A 57 -11.078 30.756 4.355 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.539 30.307 4.268 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.152 29.552 4.442 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.866 29.532 3.012 1.00 0.00 C ATOM 0 H ILE A 57 -11.531 33.410 4.581 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.214 31.167 6.467 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.835 31.312 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.772 29.689 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.183 31.185 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.310 28.908 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.116 29.890 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.366 28.994 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.918 29.249 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.666 30.153 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.249 28.634 2.967 1.00 0.00 H new ATOM 919 N GLN A 58 -8.772 31.485 6.761 1.00 0.00 N ATOM 920 CA GLN A 58 -7.327 31.576 6.924 1.00 0.00 C ATOM 921 C GLN A 58 -6.651 30.248 6.610 1.00 0.00 C ATOM 922 O GLN A 58 -7.125 29.187 7.021 1.00 0.00 O ATOM 923 CB GLN A 58 -6.974 32.010 8.348 1.00 0.00 C ATOM 924 CG GLN A 58 -7.485 33.392 8.723 1.00 0.00 C ATOM 925 CD GLN A 58 -6.824 34.491 7.912 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.597 34.545 7.797 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.637 35.378 7.349 1.00 0.00 N ATOM 0 H GLN A 58 -9.251 30.998 7.519 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.963 32.324 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.381 31.282 9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.890 31.992 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.564 33.431 8.572 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.305 33.568 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.646 35.294 7.471 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.252 36.143 6.795 1.00 0.00 H new ATOM 936 N ARG A 59 -5.545 30.309 5.879 1.00 0.00 N ATOM 937 CA ARG A 59 -4.889 29.111 5.372 1.00 0.00 C ATOM 938 C ARG A 59 -3.454 29.014 5.873 1.00 0.00 C ATOM 939 O ARG A 59 -2.549 29.631 5.311 1.00 0.00 O ATOM 940 CB ARG A 59 -4.957 29.016 3.855 1.00 0.00 C ATOM 941 CG ARG A 59 -6.364 28.989 3.278 1.00 0.00 C ATOM 942 CD ARG A 59 -6.449 29.396 1.851 1.00 0.00 C ATOM 943 NE ARG A 59 -5.894 28.430 0.916 1.00 0.00 N ATOM 944 CZ ARG A 59 -5.695 28.663 -0.396 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.038 29.810 -0.940 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -5.168 27.697 -1.129 1.00 0.00 N ATOM 0 H ARG A 59 -5.082 31.181 5.623 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.438 28.256 5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.421 29.864 3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.432 28.115 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.767 27.981 3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.999 29.648 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.495 29.570 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.929 30.345 1.725 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.637 27.512 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.462 30.540 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.880 29.970 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.924 26.805 -0.698 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.005 27.844 -2.125 1.00 0.00 H new ATOM 960 N ASP A 60 -3.252 28.237 6.931 1.00 0.00 N ATOM 961 CA ASP A 60 -1.907 27.948 7.422 1.00 0.00 C ATOM 962 C ASP A 60 -1.285 26.778 6.669 1.00 0.00 C ATOM 963 O ASP A 60 -1.816 25.670 6.677 1.00 0.00 O ATOM 964 CB ASP A 60 -1.934 27.651 8.923 1.00 0.00 C ATOM 965 CG ASP A 60 -0.563 27.416 9.543 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.393 27.331 8.809 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.459 27.480 10.744 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.000 27.796 7.466 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.293 28.832 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.414 28.484 9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.553 26.771 9.096 1.00 0.00 H new ATOM 972 N LEU A 61 -0.154 27.036 6.019 1.00 0.00 N ATOM 973 CA LEU A 61 0.433 26.075 5.092 1.00 0.00 C ATOM 974 C LEU A 61 1.021 24.884 5.836 1.00 0.00 C ATOM 975 O LEU A 61 1.446 23.906 5.221 1.00 0.00 O ATOM 976 CB LEU A 61 1.509 26.753 4.235 1.00 0.00 C ATOM 977 CG LEU A 61 0.999 27.853 3.297 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.169 28.510 2.577 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.018 27.257 2.299 1.00 0.00 C ATOM 0 H LEU A 61 0.374 27.903 6.117 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.358 25.707 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.261 27.182 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.008 25.991 3.637 1.00 0.00 H new ATOM 0 HG LEU A 61 0.485 28.617 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.796 29.290 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.846 28.950 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.703 27.761 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.344 28.040 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.518 26.485 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.824 26.818 2.834 1.00 0.00 H new ATOM 991 N ASP A 62 1.044 24.969 7.160 1.00 0.00 N ATOM 992 CA ASP A 62 1.509 23.868 7.993 1.00 0.00 C ATOM 993 C ASP A 62 0.526 22.705 7.962 1.00 0.00 C ATOM 994 O ASP A 62 0.868 21.584 8.344 1.00 0.00 O ATOM 995 CB ASP A 62 1.724 24.339 9.434 1.00 0.00 C ATOM 996 CG ASP A 62 2.964 25.201 9.636 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.787 25.239 8.753 1.00 0.00 O ATOM 998 OD2 ASP A 62 3.002 25.933 10.596 1.00 0.00 O1- ATOM 0 H ASP A 62 0.745 25.793 7.682 1.00 0.00 H new ATOM 0 HA ASP A 62 2.461 23.522 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.848 24.904 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.794 23.466 10.082 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.690 22.976 7.508 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.717 21.943 7.409 1.00 0.00 C ATOM 1005 C GLY A 63 -2.937 22.302 8.249 1.00 0.00 C ATOM 1006 O GLY A 63 -3.708 21.428 8.645 1.00 0.00 O ATOM 0 H GLY A 63 -0.991 23.901 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.013 21.818 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.310 20.988 7.742 1.00 0.00 H new ATOM 1010 N THR A 64 -3.110 23.593 8.514 1.00 0.00 N ATOM 1011 CA THR A 64 -4.231 24.069 9.318 1.00 0.00 C ATOM 1012 C THR A 64 -5.016 25.149 8.585 1.00 0.00 C ATOM 1013 O THR A 64 -4.437 26.012 7.926 1.00 0.00 O ATOM 1014 CB THR A 64 -3.759 24.624 10.674 1.00 0.00 C ATOM 1015 OG1 THR A 64 -2.981 23.632 11.356 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.951 25.009 11.538 1.00 0.00 C ATOM 0 H THR A 64 -2.487 24.330 8.183 1.00 0.00 H new ATOM 0 HA THR A 64 -4.878 23.209 9.493 1.00 0.00 H new ATOM 0 HB THR A 64 -3.152 25.511 10.494 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.137 24.029 11.658 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.598 25.399 12.492 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.538 25.773 11.028 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.572 24.131 11.713 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.339 25.094 8.703 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.204 26.093 8.086 1.00 0.00 C ATOM 1026 C CYS A 65 -8.361 26.462 9.006 1.00 0.00 C ATOM 1027 O CYS A 65 -8.935 25.600 9.672 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.716 25.371 6.839 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.487 26.453 5.612 1.00 0.00 S ATOM 0 H CYS A 65 -6.835 24.368 9.220 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.691 27.030 7.869 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.883 24.846 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.439 24.614 7.143 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.145 27.685 5.844 1.00 0.00 H new ATOM 1035 N SER A 66 -8.694 27.746 9.040 1.00 0.00 N ATOM 1036 CA SER A 66 -9.696 28.252 9.970 1.00 0.00 C ATOM 1037 C SER A 66 -10.793 29.009 9.237 1.00 0.00 C ATOM 1038 O SER A 66 -10.524 29.798 8.330 1.00 0.00 O ATOM 1039 CB SER A 66 -9.042 29.143 11.008 1.00 0.00 C ATOM 1040 OG SER A 66 -9.981 29.714 11.878 1.00 0.00 O ATOM 0 H SER A 66 -8.285 28.457 8.434 1.00 0.00 H new ATOM 0 HA SER A 66 -10.155 27.400 10.472 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.322 28.561 11.583 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.484 29.934 10.507 1.00 0.00 H new ATOM 0 HG SER A 66 -10.729 29.093 12.006 1.00 0.00 H new ATOM 1046 N LEU A 67 -12.038 28.769 9.636 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.179 29.474 9.059 1.00 0.00 C ATOM 1048 C LEU A 67 -13.859 30.362 10.095 1.00 0.00 C ATOM 1049 O LEU A 67 -14.334 29.876 11.123 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.182 28.472 8.474 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.463 29.089 7.900 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.121 30.021 6.744 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.401 27.983 7.440 1.00 0.00 C ATOM 0 H LEU A 67 -12.283 28.091 10.357 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.811 30.114 8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.687 27.905 7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.458 27.762 9.253 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.962 29.672 8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.037 30.454 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.468 30.818 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.613 29.458 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.311 28.424 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.911 27.386 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.655 27.345 8.287 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.899 31.661 9.820 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.565 32.608 10.703 1.00 0.00 C ATOM 1067 C HIS A 68 -15.842 33.151 10.072 1.00 0.00 C ATOM 1068 O HIS A 68 -15.830 33.619 8.933 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.625 33.763 11.063 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.310 34.905 11.747 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.851 34.798 13.010 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.541 36.176 11.344 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.387 35.957 13.355 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.212 36.809 12.361 1.00 0.00 N ATOM 0 H HIS A 68 -13.477 32.081 8.992 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.836 32.075 11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.832 33.387 11.709 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.148 34.129 10.154 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.252 36.611 10.399 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.883 36.170 14.290 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.525 37.780 12.351 1.00 0.00 H new ATOM 1082 N THR A 69 -16.940 33.083 10.818 1.00 0.00 N ATOM 1083 CA THR A 69 -18.192 33.699 10.394 1.00 0.00 C ATOM 1084 C THR A 69 -18.451 34.993 11.151 1.00 0.00 C ATOM 1085 O THR A 69 -18.581 34.996 12.375 1.00 0.00 O ATOM 1086 CB THR A 69 -19.388 32.750 10.597 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.184 31.551 9.838 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.680 33.416 10.152 1.00 0.00 C ATOM 0 H THR A 69 -16.988 32.607 11.719 1.00 0.00 H new ATOM 0 HA THR A 69 -18.090 33.916 9.331 1.00 0.00 H new ATOM 0 HB THR A 69 -19.465 32.508 11.657 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.585 31.654 8.950 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.514 32.730 10.303 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.844 34.321 10.738 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.610 33.675 9.096 1.00 0.00 H new ATOM 1096 N THR A 70 -18.524 36.098 10.415 1.00 0.00 N ATOM 1097 CA THR A 70 -18.681 37.416 11.023 1.00 0.00 C ATOM 1098 C THR A 70 -20.032 37.548 11.712 1.00 0.00 C ATOM 1099 O THR A 70 -20.126 38.072 12.824 1.00 0.00 O ATOM 1100 CB THR A 70 -18.535 38.542 9.983 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.215 38.513 9.426 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.781 39.897 10.625 1.00 0.00 C ATOM 0 H THR A 70 -18.477 36.107 9.396 1.00 0.00 H new ATOM 0 HA THR A 70 -17.887 37.514 11.764 1.00 0.00 H new ATOM 0 HB THR A 70 -19.273 38.386 9.196 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.124 39.229 8.763 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.673 40.680 9.875 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.789 39.926 11.038 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.057 40.058 11.424 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.077 37.069 11.047 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.437 37.195 11.564 1.00 0.00 C ATOM 1112 C ALA A 71 -23.261 35.952 11.251 1.00 0.00 C ATOM 1113 O ALA A 71 -23.970 35.901 10.245 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.109 38.435 10.989 1.00 0.00 C ATOM 0 H ALA A 71 -21.010 36.590 10.149 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.378 37.297 12.648 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.122 38.516 11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.539 39.321 11.269 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.148 38.357 9.902 1.00 0.00 H new ATOM 1120 N SER A 72 -23.162 34.953 12.120 1.00 0.00 N ATOM 1121 CA SER A 72 -23.849 33.683 11.910 1.00 0.00 C ATOM 1122 C SER A 72 -25.327 33.790 12.271 1.00 0.00 C ATOM 1123 O SER A 72 -25.685 33.846 13.445 1.00 0.00 O ATOM 1124 CB SER A 72 -23.185 32.589 12.723 1.00 0.00 C ATOM 1125 OG SER A 72 -23.808 31.348 12.545 1.00 0.00 O ATOM 0 H SER A 72 -22.612 34.997 12.978 1.00 0.00 H new ATOM 0 HA SER A 72 -23.779 33.430 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.136 32.512 12.437 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.209 32.858 13.779 1.00 0.00 H new ATOM 0 HG SER A 72 -23.293 30.812 11.907 1.00 0.00 H new ATOM 1131 N THR A 73 -26.180 33.815 11.251 1.00 0.00 N ATOM 1132 CA THR A 73 -27.619 33.920 11.461 1.00 0.00 C ATOM 1133 C THR A 73 -28.310 32.582 11.222 1.00 0.00 C ATOM 1134 O THR A 73 -27.665 31.592 10.886 1.00 0.00 O ATOM 1135 CB THR A 73 -28.245 34.983 10.540 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.123 34.568 9.173 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.551 36.324 10.723 1.00 0.00 C ATOM 0 H THR A 73 -25.899 33.764 10.272 1.00 0.00 H new ATOM 0 HA THR A 73 -27.766 34.219 12.499 1.00 0.00 H new ATOM 0 HB THR A 73 -29.298 35.092 10.801 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.183 34.378 8.972 1.00 0.00 H new ATOM 0 HG21 THR A 73 -28.007 37.063 10.064 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.654 36.649 11.758 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.494 36.223 10.478 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.626 32.565 11.401 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.403 31.343 11.233 1.00 0.00 C ATOM 1147 C LEU A 74 -30.306 30.818 9.804 1.00 0.00 C ATOM 1148 O LEU A 74 -30.457 29.623 9.560 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.868 31.591 11.613 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.117 31.885 13.098 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.576 32.259 13.319 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.740 30.666 13.928 1.00 0.00 C ATOM 0 H LEU A 74 -30.177 33.383 11.662 1.00 0.00 H new ATOM 0 HA LEU A 74 -29.988 30.584 11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.242 32.429 11.025 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.453 30.716 11.329 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.499 32.727 13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.742 32.466 14.376 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.817 33.146 12.733 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.215 31.433 13.006 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.917 30.875 14.983 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.347 29.814 13.620 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.686 30.434 13.776 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.051 31.724 8.865 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.831 31.343 7.478 1.00 0.00 C ATOM 1166 C ASP A 75 -28.433 30.764 7.281 1.00 0.00 C ATOM 1167 O ASP A 75 -28.168 30.072 6.297 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.040 32.546 6.554 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.493 32.979 6.404 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.358 32.231 6.793 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.720 34.111 6.052 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.992 32.727 9.042 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.557 30.571 7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.461 33.387 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.642 32.305 5.568 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.542 31.051 8.224 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.182 30.526 8.177 1.00 0.00 C ATOM 1178 C ASP A 76 -26.068 29.226 8.964 1.00 0.00 C ATOM 1179 O ASP A 76 -25.099 28.482 8.812 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.191 31.560 8.720 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.123 32.849 7.912 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.901 32.771 6.728 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.442 33.881 8.450 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.737 31.644 9.030 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.939 30.316 7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.464 31.803 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.198 31.112 8.752 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.060 28.962 9.806 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.133 27.694 10.527 1.00 0.00 C ATOM 1190 C ASP A 77 -27.088 26.512 9.568 1.00 0.00 C ATOM 1191 O ASP A 77 -27.858 26.446 8.610 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.405 27.633 11.377 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.517 26.395 12.254 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.847 25.429 11.972 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.144 26.474 13.283 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.824 29.607 10.007 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.265 27.634 11.184 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.446 28.518 12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.271 27.675 10.716 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.181 25.576 9.830 1.00 0.00 N ATOM 1201 CA GLY A 78 -26.030 24.395 8.989 1.00 0.00 C ATOM 1202 C GLY A 78 -24.675 23.733 9.205 1.00 0.00 C ATOM 1203 O GLY A 78 -23.991 24.007 10.192 1.00 0.00 O ATOM 0 H GLY A 78 -25.538 25.614 10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.825 23.683 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.137 24.676 7.941 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.293 22.863 8.277 1.00 0.00 N ATOM 1208 CA ASN A 79 -23.080 22.070 8.427 1.00 0.00 C ATOM 1209 C ASN A 79 -21.964 22.597 7.533 1.00 0.00 C ATOM 1210 O ASN A 79 -22.006 22.443 6.313 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.337 20.602 8.135 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.355 19.972 9.045 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.178 19.927 10.267 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.376 19.414 8.449 1.00 0.00 N ATOM 0 H ASN A 79 -24.806 22.689 7.413 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.763 22.160 9.466 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.673 20.500 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.398 20.054 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -26.074 18.911 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.474 19.481 7.436 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.964 23.219 8.151 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.812 23.735 7.418 1.00 0.00 C ATOM 1223 C TYR A 80 -18.770 22.649 7.192 1.00 0.00 C ATOM 1224 O TYR A 80 -17.693 22.677 7.786 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.189 24.914 8.164 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.071 26.143 8.220 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.158 26.202 9.080 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.813 27.241 7.411 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.966 27.320 9.133 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.614 28.366 7.456 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.691 28.400 8.320 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.490 29.519 8.369 1.00 0.00 O ATOM 0 H TYR A 80 -20.928 23.378 9.158 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.163 24.077 6.444 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.952 24.603 9.181 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.247 25.177 7.684 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.376 25.359 9.719 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.971 27.216 6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.809 27.349 9.807 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.400 29.212 6.820 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.431 29.248 8.408 1.00 0.00 H new ATOM 1242 N THR A 81 -19.099 21.687 6.333 1.00 0.00 N ATOM 1243 CA THR A 81 -18.264 20.508 6.147 1.00 0.00 C ATOM 1244 C THR A 81 -16.902 20.883 5.576 1.00 0.00 C ATOM 1245 O THR A 81 -16.809 21.663 4.627 1.00 0.00 O ATOM 1246 CB THR A 81 -18.935 19.481 5.217 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.195 19.082 5.770 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.049 18.256 5.046 1.00 0.00 C ATOM 0 H THR A 81 -19.939 21.703 5.755 1.00 0.00 H new ATOM 0 HA THR A 81 -18.131 20.059 7.131 1.00 0.00 H new ATOM 0 HB THR A 81 -19.089 19.944 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.621 18.430 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.540 17.541 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.095 18.555 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.877 17.793 6.018 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.846 20.325 6.157 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.492 20.563 5.677 1.00 0.00 C ATOM 1258 C ILE A 82 -13.931 19.331 4.978 1.00 0.00 C ATOM 1259 O ILE A 82 -14.143 18.203 5.424 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.548 20.966 6.826 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.109 21.091 6.316 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.628 19.955 7.958 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.119 21.507 7.379 1.00 0.00 C ATOM 0 H ILE A 82 -15.903 19.703 6.963 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.551 21.385 4.964 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.863 21.937 7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.797 20.134 5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.083 21.818 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.955 20.254 8.762 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.649 19.913 8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.337 18.972 7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.123 21.574 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.405 22.479 7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.115 20.769 8.181 1.00 0.00 H new ATOM 1275 N MET A 83 -13.214 19.550 3.881 1.00 0.00 N ATOM 1276 CA MET A 83 -12.619 18.460 3.120 1.00 0.00 C ATOM 1277 C MET A 83 -11.154 18.736 2.816 1.00 0.00 C ATOM 1278 O MET A 83 -10.824 19.696 2.118 1.00 0.00 O ATOM 1279 CB MET A 83 -13.394 18.237 1.824 1.00 0.00 C ATOM 1280 CG MET A 83 -12.836 17.133 0.938 1.00 0.00 C ATOM 1281 SD MET A 83 -13.830 16.858 -0.542 1.00 0.00 S ATOM 1282 CE MET A 83 -13.417 18.312 -1.502 1.00 0.00 C ATOM 0 H MET A 83 -13.031 20.478 3.498 1.00 0.00 H new ATOM 0 HA MET A 83 -12.673 17.556 3.727 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.429 18.000 2.070 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.407 19.168 1.258 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.818 17.388 0.644 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.780 16.207 1.510 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.794 18.196 -2.518 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.870 19.191 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.334 18.435 -1.529 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.273 17.890 3.341 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.846 18.007 3.075 1.00 0.00 C ATOM 1294 C ALA A 84 -8.439 17.155 1.878 1.00 0.00 C ATOM 1295 O ALA A 84 -8.002 16.016 2.033 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.041 17.612 4.307 1.00 0.00 C ATOM 0 H ALA A 84 -10.525 17.115 3.954 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.632 19.049 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.977 17.705 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.302 18.268 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.268 16.580 4.575 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.585 17.716 0.680 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.356 16.969 -0.547 1.00 0.00 C ATOM 1304 C ALA A 85 -6.938 17.177 -1.066 1.00 0.00 C ATOM 1305 O ALA A 85 -6.464 18.309 -1.160 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.377 17.366 -1.606 1.00 0.00 C ATOM 0 H ALA A 85 -8.861 18.687 0.536 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.476 15.909 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.194 16.799 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.382 17.152 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.287 18.432 -1.817 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.269 16.080 -1.400 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.976 16.147 -2.069 1.00 0.00 C ATOM 1314 C ASN A 86 -4.794 14.980 -3.031 1.00 0.00 C ATOM 1315 O ASN A 86 -5.662 14.116 -3.147 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.834 16.183 -1.069 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.529 14.847 -0.449 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.161 13.834 -0.770 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.621 14.855 0.492 1.00 0.00 N ATOM 0 H ASN A 86 -6.601 15.133 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.958 17.075 -2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.939 16.555 -1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.077 16.893 -0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.406 13.997 1.000 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.128 15.719 0.718 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.660 14.964 -3.723 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.404 13.964 -4.754 1.00 0.00 C ATOM 1328 C PRO A 87 -3.463 12.553 -4.180 1.00 0.00 C ATOM 1329 O PRO A 87 -3.735 11.590 -4.897 1.00 0.00 O ATOM 1330 CB PRO A 87 -2.009 14.316 -5.279 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.869 15.776 -5.014 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.584 16.015 -3.711 1.00 0.00 C ATOM 0 HA PRO A 87 -4.151 13.975 -5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.236 13.744 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.917 14.095 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.820 16.064 -4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.310 16.365 -5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.917 15.901 -2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.001 17.020 -3.657 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.211 12.440 -2.879 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.022 11.138 -2.247 1.00 0.00 C ATOM 1342 C GLN A 88 -4.327 10.610 -1.669 1.00 0.00 C ATOM 1343 O GLN A 88 -4.388 9.485 -1.177 1.00 0.00 O ATOM 1344 CB GLN A 88 -1.967 11.226 -1.141 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.629 11.780 -1.600 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.014 10.958 -2.717 1.00 0.00 C ATOM 1347 OE1 GLN A 88 0.043 9.727 -2.643 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.455 11.635 -3.760 1.00 0.00 N ATOM 0 H GLN A 88 -3.133 13.233 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.680 10.446 -3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.351 11.854 -0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.812 10.232 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.762 12.807 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.058 11.810 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.387 12.653 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.883 11.137 -4.541 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.370 11.432 -1.732 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.669 11.064 -1.180 1.00 0.00 C ATOM 1359 C GLY A 89 -7.385 12.275 -0.599 1.00 0.00 C ATOM 1360 O GLY A 89 -6.987 13.418 -0.838 1.00 0.00 O ATOM 0 H GLY A 89 -5.341 12.357 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.284 10.615 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.537 10.310 -0.404 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.443 12.021 0.165 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.202 13.092 0.797 1.00 0.00 C ATOM 1366 C ARG A 90 -9.851 12.616 2.093 1.00 0.00 C ATOM 1367 O ARG A 90 -10.020 11.414 2.306 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.226 13.704 -0.147 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.317 12.752 -0.611 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.279 13.346 -1.575 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.355 12.455 -1.979 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.311 12.768 -2.874 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.352 13.958 -3.434 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.223 11.855 -3.159 1.00 0.00 N ATOM 0 H ARG A 90 -8.793 11.083 0.361 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.494 13.882 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.693 14.555 0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.705 14.092 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.851 11.881 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.867 12.396 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.713 14.242 -1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.734 13.664 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.388 11.528 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.653 14.660 -3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.083 14.179 -4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.190 10.942 -2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.960 12.063 -3.833 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.209 13.561 2.953 1.00 0.00 N ATOM 1389 CA VAL A 91 -10.937 13.251 4.175 1.00 0.00 C ATOM 1390 C VAL A 91 -11.890 14.380 4.553 1.00 0.00 C ATOM 1391 O VAL A 91 -11.533 15.554 4.477 1.00 0.00 O ATOM 1392 CB VAL A 91 -9.977 12.986 5.350 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.141 14.222 5.644 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -10.754 12.562 6.588 1.00 0.00 C ATOM 0 H VAL A 91 -10.006 14.552 2.825 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.514 12.347 3.977 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.306 12.174 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.469 14.017 6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.557 14.484 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.798 15.052 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.060 12.379 7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.449 13.353 6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.311 11.650 6.373 1.00 0.00 H new ATOM 1404 N SER A 92 -13.099 14.016 4.961 1.00 0.00 N ATOM 1405 CA SER A 92 -14.143 14.995 5.231 1.00 0.00 C ATOM 1406 C SER A 92 -14.592 14.938 6.684 1.00 0.00 C ATOM 1407 O SER A 92 -14.519 13.889 7.329 1.00 0.00 O ATOM 1408 CB SER A 92 -15.321 14.769 4.303 1.00 0.00 C ATOM 1409 OG SER A 92 -14.971 14.938 2.957 1.00 0.00 O ATOM 0 H SER A 92 -13.381 13.047 5.112 1.00 0.00 H new ATOM 0 HA SER A 92 -13.732 15.988 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.712 13.762 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.122 15.463 4.559 1.00 0.00 H new ATOM 0 HG SER A 92 -15.757 14.782 2.393 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.055 16.070 7.202 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.595 16.131 8.556 1.00 0.00 C ATOM 1417 C CYS A 93 -16.665 17.208 8.677 1.00 0.00 C ATOM 1418 O CYS A 93 -16.496 18.324 8.181 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.367 16.495 9.391 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.685 16.644 11.166 1.00 0.00 S ATOM 0 H CYS A 93 -15.067 16.960 6.704 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.078 15.204 8.866 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.599 15.737 9.234 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.962 17.439 9.027 1.00 0.00 H new ATOM 0 HG CYS A 93 -14.510 15.489 11.737 1.00 0.00 H new ATOM 1426 N THR A 94 -17.767 16.869 9.336 1.00 0.00 N ATOM 1427 CA THR A 94 -18.905 17.773 9.436 1.00 0.00 C ATOM 1428 C THR A 94 -18.598 18.950 10.353 1.00 0.00 C ATOM 1429 O THR A 94 -18.126 18.766 11.475 1.00 0.00 O ATOM 1430 CB THR A 94 -20.159 17.045 9.955 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.481 15.956 9.080 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.341 18.001 10.023 1.00 0.00 C ATOM 0 H THR A 94 -17.896 15.974 9.809 1.00 0.00 H new ATOM 0 HA THR A 94 -19.100 18.144 8.430 1.00 0.00 H new ATOM 0 HB THR A 94 -19.952 16.667 10.956 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.278 15.493 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.218 17.469 10.392 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.105 18.824 10.698 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.548 18.396 9.028 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.865 20.157 9.867 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.662 21.364 10.660 1.00 0.00 C ATOM 1442 C GLY A 95 -19.982 21.891 11.209 1.00 0.00 C ATOM 1443 O GLY A 95 -20.338 23.049 10.983 1.00 0.00 O ATOM 0 H GLY A 95 -19.223 20.326 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.982 21.151 11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.189 22.130 10.046 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.700 21.039 11.928 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.007 21.400 12.466 1.00 0.00 C ATOM 1449 C ARG A 96 -21.943 22.711 13.238 1.00 0.00 C ATOM 1450 O ARG A 96 -21.292 22.796 14.281 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.607 20.286 13.310 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.009 20.562 13.831 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.632 19.419 14.547 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.006 19.649 14.967 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.720 18.808 15.741 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.211 17.666 16.149 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -27.956 19.151 16.059 1.00 0.00 N ATOM 0 H ARG A 96 -20.400 20.091 12.153 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.674 21.546 11.616 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.629 19.372 12.717 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.950 20.099 14.159 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -23.972 21.420 14.503 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.647 20.841 12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.605 18.542 13.900 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.031 19.185 15.426 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.461 20.507 14.654 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.262 17.405 15.880 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.765 17.041 16.734 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.344 20.031 15.720 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.522 18.535 16.643 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.619 23.731 12.723 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.783 24.986 13.451 1.00 0.00 C ATOM 1473 C LEU A 97 -24.257 25.339 13.617 1.00 0.00 C ATOM 1474 O LEU A 97 -24.938 25.674 12.643 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.042 26.119 12.731 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.220 27.512 13.349 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.643 27.536 14.757 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.537 28.549 12.470 1.00 0.00 C ATOM 0 H LEU A 97 -23.063 23.715 11.805 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.354 24.858 14.445 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -20.978 25.881 12.711 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.380 26.152 11.695 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.282 27.749 13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -21.774 28.529 15.187 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.160 26.802 15.375 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.581 27.294 14.719 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.664 29.539 12.909 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.474 28.319 12.394 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.983 28.534 11.476 1.00 0.00 H new ATOM 1490 N MET A 98 -24.744 25.259 14.849 1.00 0.00 N ATOM 1491 CA MET A 98 -26.138 25.570 15.144 1.00 0.00 C ATOM 1492 C MET A 98 -26.289 26.998 15.654 1.00 0.00 C ATOM 1493 O MET A 98 -25.456 27.484 16.421 1.00 0.00 O ATOM 1494 CB MET A 98 -26.694 24.582 16.169 1.00 0.00 C ATOM 1495 CG MET A 98 -26.707 23.133 15.702 1.00 0.00 C ATOM 1496 SD MET A 98 -27.770 22.873 14.269 1.00 0.00 S ATOM 1497 CE MET A 98 -29.385 23.159 14.990 1.00 0.00 C ATOM 0 H MET A 98 -24.194 24.981 15.662 1.00 0.00 H new ATOM 0 HA MET A 98 -26.706 25.481 14.218 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.102 24.652 17.081 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.711 24.877 16.426 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.691 22.826 15.456 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.044 22.495 16.519 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.155 22.767 14.325 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.447 22.655 15.955 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.537 24.229 15.129 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.354 27.666 15.226 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.582 29.058 15.584 1.00 0.00 C ATOM 1509 C VAL A 99 -28.833 29.212 16.437 1.00 0.00 C ATOM 1510 O VAL A 99 -29.914 28.760 16.059 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.712 29.949 14.334 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -27.988 31.391 14.733 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.451 29.865 13.486 1.00 0.00 C ATOM 0 H VAL A 99 -28.075 27.263 14.628 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.714 29.379 16.160 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.552 29.588 13.741 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.077 32.006 13.837 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -28.917 31.440 15.300 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.168 31.762 15.348 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.560 30.501 12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.595 30.200 14.072 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.293 28.834 13.170 1.00 0.00 H new ATOM 1523 N GLN A 100 -28.680 29.854 17.591 1.00 0.00 N ATOM 1524 CA GLN A 100 -29.802 30.086 18.492 1.00 0.00 C ATOM 1525 C GLN A 100 -30.337 31.507 18.348 1.00 0.00 C ATOM 1526 O GLN A 100 -29.601 32.480 18.522 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.385 29.833 19.943 1.00 0.00 C ATOM 1528 CG GLN A 100 -30.512 29.989 20.950 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.085 29.619 22.357 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -28.975 29.125 22.575 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -30.967 29.851 23.323 1.00 0.00 N ATOM 0 H GLN A 100 -27.789 30.223 17.924 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.595 29.389 18.222 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -28.979 28.825 20.022 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -28.581 30.522 20.204 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -30.865 31.020 20.940 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.352 29.362 20.651 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -31.873 30.261 23.098 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -30.738 29.619 24.289 1.00 0.00 H new