USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 25 LYS NZ :NH3+ -149:sc= 1.03 (180deg=-0.246) USER MOD Set 1.2: A 29 ASN : amide:sc= -1.28! C(o=-0.25!,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0143 (180deg=-0.211) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.4) USER MOD Single : A 12 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 138:sc= 0.755 (180deg=-0.454!) USER MOD Single : A 24 MET CE :methyl -171:sc= -0.733 (180deg=-0.917) USER MOD Single : A 27 MET CE :methyl 138:sc= -0.274 (180deg=-3.15!) USER MOD Single : A 31 TYR OH : rot -168:sc= 0.918 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -116:sc= 0.731 (180deg=-0.356!) USER MOD Single : A 52 HIS : no HD1:sc= 0.252 K(o=0.39,f=-4.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 2.4 (180deg=2.35) USER MOD Single : A 65 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.15) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -80:sc= -1.21 USER MOD Single : A 76 GLN : amide:sc= 0.036 K(o=0.036,f=-3.1!) USER MOD Single : A 77 CYS SG : rot 16:sc= -3.46! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 84:sc= 0.338 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0.895 (180deg=0.797) USER MOD Single : A 95 CYS SG : rot 180:sc= -3.87! USER MOD Single : A 99 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.18) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 101 HIS : no HE2:sc= 0.0867 K(o=0.087,f=-3!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.395 0.001 0.320 1.00 44.40 N ATOM 2 CA MET A 1 -3.299 -1.133 -0.007 1.00 64.51 C ATOM 3 C MET A 1 -2.491 -2.380 -0.402 1.00 52.41 C ATOM 4 O MET A 1 -2.299 -3.287 0.407 1.00 62.04 O ATOM 5 CB MET A 1 -4.262 -0.734 -1.137 1.00 24.13 C ATOM 6 CG MET A 1 -5.017 0.558 -0.854 1.00 75.04 C ATOM 7 SD MET A 1 -5.848 0.530 0.745 1.00 53.12 S ATOM 8 CE MET A 1 -6.482 2.207 0.828 1.00 33.41 C ATOM 0 H1 MET A 1 -2.941 0.760 0.775 1.00 44.40 H new ATOM 0 H2 MET A 1 -1.649 -0.325 0.968 1.00 44.40 H new ATOM 0 H3 MET A 1 -1.961 0.362 -0.553 1.00 44.40 H new ATOM 0 HA MET A 1 -3.882 -1.376 0.881 1.00 64.51 H new ATOM 0 HB2 MET A 1 -3.698 -0.622 -2.063 1.00 24.13 H new ATOM 0 HB3 MET A 1 -4.979 -1.539 -1.295 1.00 24.13 H new ATOM 0 HG2 MET A 1 -4.321 1.397 -0.885 1.00 75.04 H new ATOM 0 HG3 MET A 1 -5.753 0.726 -1.640 1.00 75.04 H new ATOM 0 HE1 MET A 1 -7.023 2.346 1.764 1.00 33.41 H new ATOM 0 HE2 MET A 1 -5.652 2.912 0.781 1.00 33.41 H new ATOM 0 HE3 MET A 1 -7.156 2.383 -0.010 1.00 33.41 H new ATOM 20 N ALA A 2 -1.996 -2.409 -1.638 1.00 25.41 N ATOM 21 CA ALA A 2 -1.172 -3.525 -2.113 1.00 21.02 C ATOM 22 C ALA A 2 0.295 -3.348 -1.689 1.00 31.35 C ATOM 23 O ALA A 2 1.165 -3.025 -2.504 1.00 24.20 O ATOM 24 CB ALA A 2 -1.287 -3.660 -3.629 1.00 63.25 C ATOM 0 H ALA A 2 -2.149 -1.675 -2.330 1.00 25.41 H new ATOM 0 HA ALA A 2 -1.541 -4.442 -1.655 1.00 21.02 H new ATOM 0 HB1 ALA A 2 -0.670 -4.492 -3.968 1.00 63.25 H new ATOM 0 HB2 ALA A 2 -2.326 -3.845 -3.900 1.00 63.25 H new ATOM 0 HB3 ALA A 2 -0.947 -2.739 -4.103 1.00 63.25 H new ATOM 30 N LYS A 3 0.557 -3.545 -0.400 1.00 11.02 N ATOM 31 CA LYS A 3 1.902 -3.378 0.162 1.00 25.32 C ATOM 32 C LYS A 3 2.204 -4.463 1.205 1.00 54.12 C ATOM 33 O LYS A 3 1.431 -4.668 2.141 1.00 14.00 O ATOM 34 CB LYS A 3 2.031 -1.986 0.808 1.00 45.21 C ATOM 35 CG LYS A 3 3.404 -1.703 1.420 1.00 25.53 C ATOM 36 CD LYS A 3 4.504 -1.630 0.362 1.00 31.24 C ATOM 37 CE LYS A 3 4.336 -0.417 -0.545 1.00 32.13 C ATOM 38 NZ LYS A 3 5.304 -0.427 -1.671 1.00 2.32 N ATOM 0 H LYS A 3 -0.148 -3.823 0.283 1.00 11.02 H new ATOM 0 HA LYS A 3 2.623 -3.472 -0.650 1.00 25.32 H new ATOM 0 HB2 LYS A 3 1.818 -1.227 0.055 1.00 45.21 H new ATOM 0 HB3 LYS A 3 1.272 -1.886 1.584 1.00 45.21 H new ATOM 0 HG2 LYS A 3 3.368 -0.762 1.970 1.00 25.53 H new ATOM 0 HG3 LYS A 3 3.647 -2.484 2.141 1.00 25.53 H new ATOM 0 HD2 LYS A 3 5.477 -1.586 0.851 1.00 31.24 H new ATOM 0 HD3 LYS A 3 4.491 -2.539 -0.240 1.00 31.24 H new ATOM 0 HE2 LYS A 3 3.320 -0.397 -0.940 1.00 32.13 H new ATOM 0 HE3 LYS A 3 4.468 0.494 0.039 1.00 32.13 H new ATOM 0 HZ1 LYS A 3 5.156 0.415 -2.264 1.00 2.32 H new ATOM 0 HZ2 LYS A 3 6.274 -0.420 -1.295 1.00 2.32 H new ATOM 0 HZ3 LYS A 3 5.161 -1.283 -2.244 1.00 2.32 H new ATOM 52 N ALA A 4 3.330 -5.152 1.041 1.00 12.41 N ATOM 53 CA ALA A 4 3.756 -6.167 2.007 1.00 63.12 C ATOM 54 C ALA A 4 4.351 -5.514 3.266 1.00 33.11 C ATOM 55 O ALA A 4 5.552 -5.238 3.334 1.00 61.43 O ATOM 56 CB ALA A 4 4.757 -7.127 1.369 1.00 34.14 C ATOM 0 H ALA A 4 3.964 -5.028 0.252 1.00 12.41 H new ATOM 0 HA ALA A 4 2.878 -6.738 2.309 1.00 63.12 H new ATOM 0 HB1 ALA A 4 5.062 -7.874 2.102 1.00 34.14 H new ATOM 0 HB2 ALA A 4 4.293 -7.623 0.517 1.00 34.14 H new ATOM 0 HB3 ALA A 4 5.632 -6.570 1.033 1.00 34.14 H new ATOM 62 N GLN A 5 3.492 -5.229 4.239 1.00 63.14 N ATOM 63 CA GLN A 5 3.918 -4.631 5.510 1.00 25.51 C ATOM 64 C GLN A 5 4.318 -5.707 6.536 1.00 21.10 C ATOM 65 O GLN A 5 3.986 -6.884 6.373 1.00 21.45 O ATOM 66 CB GLN A 5 2.786 -3.758 6.076 1.00 53.14 C ATOM 67 CG GLN A 5 2.544 -2.469 5.298 1.00 1.15 C ATOM 68 CD GLN A 5 3.747 -1.535 5.319 1.00 64.23 C ATOM 69 OE1 GLN A 5 4.605 -1.579 4.441 1.00 53.32 O ATOM 70 NE2 GLN A 5 3.823 -0.685 6.324 1.00 53.30 N ATOM 0 H GLN A 5 2.489 -5.402 4.175 1.00 63.14 H new ATOM 0 HA GLN A 5 4.796 -4.014 5.317 1.00 25.51 H new ATOM 0 HB2 GLN A 5 1.865 -4.340 6.089 1.00 53.14 H new ATOM 0 HB3 GLN A 5 3.019 -3.507 7.111 1.00 53.14 H new ATOM 0 HG2 GLN A 5 2.297 -2.714 4.265 1.00 1.15 H new ATOM 0 HG3 GLN A 5 1.681 -1.953 5.718 1.00 1.15 H new ATOM 0 HE21 GLN A 5 3.094 -0.673 7.038 1.00 53.30 H new ATOM 0 HE22 GLN A 5 4.610 -0.040 6.388 1.00 53.30 H new ATOM 79 N PRO A 6 5.062 -5.327 7.599 1.00 24.32 N ATOM 80 CA PRO A 6 5.413 -6.258 8.687 1.00 54.23 C ATOM 81 C PRO A 6 4.179 -6.766 9.455 1.00 14.23 C ATOM 82 O PRO A 6 3.130 -6.115 9.481 1.00 75.11 O ATOM 83 CB PRO A 6 6.325 -5.421 9.602 1.00 44.44 C ATOM 84 CG PRO A 6 5.995 -4.002 9.282 1.00 22.24 C ATOM 85 CD PRO A 6 5.641 -3.984 7.820 1.00 1.44 C ATOM 0 HA PRO A 6 5.891 -7.161 8.307 1.00 54.23 H new ATOM 0 HB2 PRO A 6 6.139 -5.642 10.653 1.00 44.44 H new ATOM 0 HB3 PRO A 6 7.377 -5.634 9.412 1.00 44.44 H new ATOM 0 HG2 PRO A 6 5.163 -3.647 9.890 1.00 22.24 H new ATOM 0 HG3 PRO A 6 6.842 -3.347 9.487 1.00 22.24 H new ATOM 0 HD2 PRO A 6 4.927 -3.194 7.588 1.00 1.44 H new ATOM 0 HD3 PRO A 6 6.518 -3.815 7.195 1.00 1.44 H new ATOM 93 N ILE A 7 4.317 -7.926 10.090 1.00 24.51 N ATOM 94 CA ILE A 7 3.204 -8.561 10.800 1.00 43.21 C ATOM 95 C ILE A 7 2.900 -7.829 12.116 1.00 11.45 C ATOM 96 O ILE A 7 3.628 -7.967 13.099 1.00 52.13 O ATOM 97 CB ILE A 7 3.486 -10.066 11.095 1.00 44.20 C ATOM 98 CG1 ILE A 7 3.598 -10.883 9.788 1.00 35.34 C ATOM 99 CG2 ILE A 7 2.396 -10.655 11.994 1.00 53.01 C ATOM 100 CD1 ILE A 7 4.815 -10.560 8.937 1.00 43.12 C ATOM 0 H ILE A 7 5.191 -8.450 10.129 1.00 24.51 H new ATOM 0 HA ILE A 7 2.336 -8.496 10.144 1.00 43.21 H new ATOM 0 HB ILE A 7 4.441 -10.126 11.616 1.00 44.20 H new ATOM 0 HG12 ILE A 7 3.619 -11.943 10.040 1.00 35.34 H new ATOM 0 HG13 ILE A 7 2.701 -10.714 9.193 1.00 35.34 H new ATOM 0 HG21 ILE A 7 2.612 -11.706 12.187 1.00 53.01 H new ATOM 0 HG22 ILE A 7 2.369 -10.110 12.938 1.00 53.01 H new ATOM 0 HG23 ILE A 7 1.429 -10.569 11.498 1.00 53.01 H new ATOM 0 HD11 ILE A 7 4.808 -11.182 8.042 1.00 43.12 H new ATOM 0 HD12 ILE A 7 4.789 -9.509 8.649 1.00 43.12 H new ATOM 0 HD13 ILE A 7 5.722 -10.757 9.509 1.00 43.12 H new ATOM 112 N GLU A 8 1.829 -7.040 12.123 1.00 61.45 N ATOM 113 CA GLU A 8 1.438 -6.286 13.314 1.00 30.23 C ATOM 114 C GLU A 8 0.457 -7.080 14.190 1.00 20.23 C ATOM 115 O GLU A 8 -0.602 -7.513 13.727 1.00 14.21 O ATOM 116 CB GLU A 8 0.797 -4.950 12.919 1.00 54.24 C ATOM 117 CG GLU A 8 0.426 -4.080 14.118 1.00 1.10 C ATOM 118 CD GLU A 8 -0.354 -2.836 13.730 1.00 72.02 C ATOM 119 OE1 GLU A 8 0.270 -1.802 13.428 1.00 21.13 O ATOM 120 OE2 GLU A 8 -1.601 -2.883 13.739 1.00 50.13 O ATOM 0 H GLU A 8 1.216 -6.905 11.319 1.00 61.45 H new ATOM 0 HA GLU A 8 2.345 -6.101 13.890 1.00 30.23 H new ATOM 0 HB2 GLU A 8 1.486 -4.399 12.279 1.00 54.24 H new ATOM 0 HB3 GLU A 8 -0.099 -5.145 12.329 1.00 54.24 H new ATOM 0 HG2 GLU A 8 -0.166 -4.669 14.818 1.00 1.10 H new ATOM 0 HG3 GLU A 8 1.336 -3.784 14.640 1.00 1.10 H new ATOM 127 N ILE A 9 0.830 -7.277 15.453 1.00 42.43 N ATOM 128 CA ILE A 9 -0.052 -7.892 16.451 1.00 50.23 C ATOM 129 C ILE A 9 -0.045 -7.069 17.751 1.00 41.41 C ATOM 130 O ILE A 9 0.980 -6.981 18.432 1.00 21.32 O ATOM 131 CB ILE A 9 0.365 -9.353 16.775 1.00 70.22 C ATOM 132 CG1 ILE A 9 0.396 -10.209 15.496 1.00 20.23 C ATOM 133 CG2 ILE A 9 -0.589 -9.964 17.805 1.00 13.33 C ATOM 134 CD1 ILE A 9 0.852 -11.637 15.721 1.00 12.14 C ATOM 0 H ILE A 9 1.747 -7.017 15.815 1.00 42.43 H new ATOM 0 HA ILE A 9 -1.054 -7.908 16.023 1.00 50.23 H new ATOM 0 HB ILE A 9 1.370 -9.336 17.198 1.00 70.22 H new ATOM 0 HG12 ILE A 9 -0.601 -10.222 15.055 1.00 20.23 H new ATOM 0 HG13 ILE A 9 1.059 -9.737 14.771 1.00 20.23 H new ATOM 0 HG21 ILE A 9 -0.284 -10.988 18.021 1.00 13.33 H new ATOM 0 HG22 ILE A 9 -0.560 -9.375 18.722 1.00 13.33 H new ATOM 0 HG23 ILE A 9 -1.603 -9.965 17.406 1.00 13.33 H new ATOM 0 HD11 ILE A 9 0.847 -12.174 14.773 1.00 12.14 H new ATOM 0 HD12 ILE A 9 1.862 -11.636 16.132 1.00 12.14 H new ATOM 0 HD13 ILE A 9 0.176 -12.129 16.421 1.00 12.14 H new ATOM 146 N ALA A 10 -1.182 -6.452 18.075 1.00 2.24 N ATOM 147 CA ALA A 10 -1.311 -5.631 19.290 1.00 15.11 C ATOM 148 C ALA A 10 -0.336 -4.437 19.281 1.00 14.30 C ATOM 149 O ALA A 10 0.074 -3.946 20.333 1.00 41.14 O ATOM 150 CB ALA A 10 -1.091 -6.494 20.532 1.00 10.33 C ATOM 0 H ALA A 10 -2.032 -6.503 17.514 1.00 2.24 H new ATOM 0 HA ALA A 10 -2.322 -5.224 19.312 1.00 15.11 H new ATOM 0 HB1 ALA A 10 -1.189 -5.877 21.425 1.00 10.33 H new ATOM 0 HB2 ALA A 10 -1.835 -7.291 20.558 1.00 10.33 H new ATOM 0 HB3 ALA A 10 -0.093 -6.930 20.500 1.00 10.33 H new ATOM 156 N GLY A 11 0.009 -3.959 18.087 1.00 43.24 N ATOM 157 CA GLY A 11 0.969 -2.865 17.953 1.00 71.10 C ATOM 158 C GLY A 11 2.392 -3.345 17.670 1.00 20.04 C ATOM 159 O GLY A 11 3.215 -2.599 17.129 1.00 74.14 O ATOM 0 H GLY A 11 -0.359 -4.310 17.203 1.00 43.24 H new ATOM 0 HA2 GLY A 11 0.648 -2.205 17.147 1.00 71.10 H new ATOM 0 HA3 GLY A 11 0.967 -2.274 18.869 1.00 71.10 H new ATOM 163 N HIS A 12 2.684 -4.596 18.027 1.00 60.45 N ATOM 164 CA HIS A 12 4.016 -5.173 17.818 1.00 74.30 C ATOM 165 C HIS A 12 4.230 -5.517 16.336 1.00 63.51 C ATOM 166 O HIS A 12 3.521 -6.353 15.781 1.00 65.51 O ATOM 167 CB HIS A 12 4.190 -6.437 18.671 1.00 3.34 C ATOM 168 CG HIS A 12 3.977 -6.221 20.144 1.00 51.21 C ATOM 169 ND1 HIS A 12 5.011 -6.065 21.042 1.00 30.01 N ATOM 170 CD2 HIS A 12 2.839 -6.157 20.879 1.00 4.45 C ATOM 171 CE1 HIS A 12 4.522 -5.918 22.257 1.00 24.45 C ATOM 172 NE2 HIS A 12 3.210 -5.970 22.186 1.00 40.32 N ATOM 0 H HIS A 12 2.016 -5.232 18.463 1.00 60.45 H new ATOM 0 HA HIS A 12 4.758 -4.433 18.119 1.00 74.30 H new ATOM 0 HB2 HIS A 12 3.491 -7.197 18.322 1.00 3.34 H new ATOM 0 HB3 HIS A 12 5.194 -6.832 18.515 1.00 3.34 H new ATOM 0 HD2 HIS A 12 1.829 -6.238 20.505 1.00 4.45 H new ATOM 0 HE1 HIS A 12 5.101 -5.778 23.158 1.00 24.45 H new ATOM 0 HE2 HIS A 12 2.571 -5.885 22.976 1.00 40.32 H new ATOM 181 N GLU A 13 5.205 -4.871 15.704 1.00 64.22 N ATOM 182 CA GLU A 13 5.478 -5.081 14.276 1.00 3.04 C ATOM 183 C GLU A 13 6.652 -6.054 14.060 1.00 65.34 C ATOM 184 O GLU A 13 7.819 -5.704 14.255 1.00 34.50 O ATOM 185 CB GLU A 13 5.760 -3.734 13.585 1.00 72.32 C ATOM 186 CG GLU A 13 6.850 -2.903 14.258 1.00 25.14 C ATOM 187 CD GLU A 13 7.073 -1.559 13.582 1.00 11.22 C ATOM 188 OE1 GLU A 13 6.325 -0.606 13.882 1.00 50.41 O ATOM 189 OE2 GLU A 13 8.003 -1.448 12.750 1.00 13.25 O ATOM 0 H GLU A 13 5.823 -4.196 16.154 1.00 64.22 H new ATOM 0 HA GLU A 13 4.592 -5.531 13.829 1.00 3.04 H new ATOM 0 HB2 GLU A 13 6.048 -3.922 12.551 1.00 72.32 H new ATOM 0 HB3 GLU A 13 4.839 -3.152 13.558 1.00 72.32 H new ATOM 0 HG2 GLU A 13 6.582 -2.739 15.302 1.00 25.14 H new ATOM 0 HG3 GLU A 13 7.784 -3.466 14.253 1.00 25.14 H new ATOM 196 N PHE A 14 6.334 -7.284 13.669 1.00 25.11 N ATOM 197 CA PHE A 14 7.354 -8.303 13.396 1.00 40.43 C ATOM 198 C PHE A 14 7.738 -8.316 11.911 1.00 52.21 C ATOM 199 O PHE A 14 6.874 -8.271 11.035 1.00 41.14 O ATOM 200 CB PHE A 14 6.844 -9.685 13.818 1.00 42.12 C ATOM 201 CG PHE A 14 6.545 -9.782 15.291 1.00 61.24 C ATOM 202 CD1 PHE A 14 7.542 -10.125 16.191 1.00 24.13 C ATOM 203 CD2 PHE A 14 5.271 -9.523 15.777 1.00 4.31 C ATOM 204 CE1 PHE A 14 7.278 -10.206 17.545 1.00 52.12 C ATOM 205 CE2 PHE A 14 5.001 -9.604 17.128 1.00 0.23 C ATOM 206 CZ PHE A 14 6.006 -9.946 18.014 1.00 34.00 C ATOM 0 H PHE A 14 5.375 -7.605 13.532 1.00 25.11 H new ATOM 0 HA PHE A 14 8.243 -8.056 13.976 1.00 40.43 H new ATOM 0 HB2 PHE A 14 5.941 -9.920 13.254 1.00 42.12 H new ATOM 0 HB3 PHE A 14 7.589 -10.436 13.555 1.00 42.12 H new ATOM 0 HD1 PHE A 14 8.538 -10.332 15.829 1.00 24.13 H new ATOM 0 HD2 PHE A 14 4.482 -9.255 15.090 1.00 4.31 H new ATOM 0 HE1 PHE A 14 8.065 -10.472 18.235 1.00 52.12 H new ATOM 0 HE2 PHE A 14 4.005 -9.400 17.493 1.00 0.23 H new ATOM 0 HZ PHE A 14 5.796 -10.010 19.071 1.00 34.00 H new ATOM 216 N ALA A 15 9.035 -8.405 11.633 1.00 21.23 N ATOM 217 CA ALA A 15 9.544 -8.322 10.258 1.00 5.14 C ATOM 218 C ALA A 15 9.402 -9.651 9.490 1.00 71.05 C ATOM 219 O ALA A 15 9.869 -9.771 8.357 1.00 41.24 O ATOM 220 CB ALA A 15 11.000 -7.870 10.276 1.00 43.13 C ATOM 0 H ALA A 15 9.759 -8.535 12.340 1.00 21.23 H new ATOM 0 HA ALA A 15 8.936 -7.589 9.728 1.00 5.14 H new ATOM 0 HB1 ALA A 15 11.375 -7.809 9.254 1.00 43.13 H new ATOM 0 HB2 ALA A 15 11.071 -6.890 10.747 1.00 43.13 H new ATOM 0 HB3 ALA A 15 11.597 -8.587 10.839 1.00 43.13 H new ATOM 226 N ARG A 16 8.751 -10.641 10.099 1.00 44.31 N ATOM 227 CA ARG A 16 8.593 -11.959 9.472 1.00 4.10 C ATOM 228 C ARG A 16 7.486 -12.782 10.164 1.00 4.42 C ATOM 229 O ARG A 16 7.245 -12.628 11.361 1.00 22.50 O ATOM 230 CB ARG A 16 9.929 -12.719 9.538 1.00 31.12 C ATOM 231 CG ARG A 16 9.975 -13.986 8.690 1.00 62.54 C ATOM 232 CD ARG A 16 10.059 -13.672 7.199 1.00 12.52 C ATOM 233 NE ARG A 16 11.301 -12.981 6.860 1.00 4.55 N ATOM 234 CZ ARG A 16 11.455 -12.189 5.831 1.00 62.42 C ATOM 235 NH1 ARG A 16 10.472 -11.948 5.022 1.00 44.14 N ATOM 236 NH2 ARG A 16 12.601 -11.636 5.619 1.00 11.40 N ATOM 0 H ARG A 16 8.325 -10.559 11.022 1.00 44.31 H new ATOM 0 HA ARG A 16 8.300 -11.812 8.432 1.00 4.10 H new ATOM 0 HB2 ARG A 16 10.729 -12.052 9.217 1.00 31.12 H new ATOM 0 HB3 ARG A 16 10.132 -12.983 10.576 1.00 31.12 H new ATOM 0 HG2 ARG A 16 10.835 -14.588 8.983 1.00 62.54 H new ATOM 0 HG3 ARG A 16 9.086 -14.585 8.885 1.00 62.54 H new ATOM 0 HD2 ARG A 16 9.990 -14.598 6.628 1.00 12.52 H new ATOM 0 HD3 ARG A 16 9.209 -13.055 6.909 1.00 12.52 H new ATOM 0 HE ARG A 16 12.106 -13.127 7.470 1.00 4.55 H new ATOM 0 HH11 ARG A 16 9.561 -12.379 5.183 1.00 44.14 H new ATOM 0 HH12 ARG A 16 10.609 -11.328 4.224 1.00 44.14 H new ATOM 0 HH21 ARG A 16 13.380 -11.818 6.252 1.00 11.40 H new ATOM 0 HH22 ARG A 16 12.728 -11.017 4.818 1.00 11.40 H new ATOM 250 N LYS A 17 6.822 -13.660 9.405 1.00 64.13 N ATOM 251 CA LYS A 17 5.808 -14.571 9.966 1.00 22.20 C ATOM 252 C LYS A 17 6.422 -15.469 11.059 1.00 22.43 C ATOM 253 O LYS A 17 5.846 -15.640 12.135 1.00 24.44 O ATOM 254 CB LYS A 17 5.175 -15.400 8.819 1.00 74.45 C ATOM 255 CG LYS A 17 4.256 -16.561 9.237 1.00 51.21 C ATOM 256 CD LYS A 17 5.032 -17.831 9.596 1.00 43.20 C ATOM 257 CE LYS A 17 4.118 -19.045 9.752 1.00 1.13 C ATOM 258 NZ LYS A 17 3.565 -19.505 8.450 1.00 24.30 N ATOM 0 H LYS A 17 6.966 -13.762 8.400 1.00 64.13 H new ATOM 0 HA LYS A 17 5.020 -13.990 10.445 1.00 22.20 H new ATOM 0 HB2 LYS A 17 4.603 -14.723 8.185 1.00 74.45 H new ATOM 0 HB3 LYS A 17 5.980 -15.806 8.207 1.00 74.45 H new ATOM 0 HG2 LYS A 17 3.656 -16.253 10.093 1.00 51.21 H new ATOM 0 HG3 LYS A 17 3.563 -16.781 8.425 1.00 51.21 H new ATOM 0 HD2 LYS A 17 5.772 -18.033 8.821 1.00 43.20 H new ATOM 0 HD3 LYS A 17 5.579 -17.669 10.525 1.00 43.20 H new ATOM 0 HE2 LYS A 17 4.675 -19.859 10.216 1.00 1.13 H new ATOM 0 HE3 LYS A 17 3.298 -18.796 10.425 1.00 1.13 H new ATOM 0 HZ1 LYS A 17 3.591 -20.544 8.409 1.00 24.30 H new ATOM 0 HZ2 LYS A 17 2.582 -19.180 8.356 1.00 24.30 H new ATOM 0 HZ3 LYS A 17 4.135 -19.114 7.673 1.00 24.30 H new ATOM 272 N ALA A 18 7.599 -16.031 10.776 1.00 24.03 N ATOM 273 CA ALA A 18 8.326 -16.855 11.754 1.00 4.44 C ATOM 274 C ALA A 18 8.833 -16.018 12.944 1.00 65.42 C ATOM 275 O ALA A 18 9.062 -16.544 14.036 1.00 12.50 O ATOM 276 CB ALA A 18 9.484 -17.576 11.070 1.00 4.33 C ATOM 0 H ALA A 18 8.072 -15.933 9.878 1.00 24.03 H new ATOM 0 HA ALA A 18 7.631 -17.594 12.153 1.00 4.44 H new ATOM 0 HB1 ALA A 18 10.017 -18.184 11.801 1.00 4.33 H new ATOM 0 HB2 ALA A 18 9.097 -18.217 10.278 1.00 4.33 H new ATOM 0 HB3 ALA A 18 10.167 -16.843 10.641 1.00 4.33 H new ATOM 282 N ASP A 19 9.002 -14.714 12.723 1.00 10.21 N ATOM 283 CA ASP A 19 9.431 -13.787 13.779 1.00 61.41 C ATOM 284 C ASP A 19 8.317 -13.614 14.833 1.00 2.10 C ATOM 285 O ASP A 19 8.574 -13.614 16.041 1.00 52.44 O ATOM 286 CB ASP A 19 9.811 -12.439 13.142 1.00 14.32 C ATOM 287 CG ASP A 19 10.399 -11.435 14.120 1.00 44.21 C ATOM 288 OD1 ASP A 19 10.998 -11.854 15.133 1.00 51.42 O ATOM 289 OD2 ASP A 19 10.277 -10.217 13.866 1.00 21.14 O ATOM 0 H ASP A 19 8.848 -14.271 11.817 1.00 10.21 H new ATOM 0 HA ASP A 19 10.303 -14.193 14.291 1.00 61.41 H new ATOM 0 HB2 ASP A 19 10.531 -12.617 12.343 1.00 14.32 H new ATOM 0 HB3 ASP A 19 8.924 -12.004 12.681 1.00 14.32 H new ATOM 294 N ALA A 20 7.075 -13.489 14.361 1.00 50.33 N ATOM 295 CA ALA A 20 5.906 -13.418 15.249 1.00 31.14 C ATOM 296 C ALA A 20 5.755 -14.704 16.081 1.00 23.43 C ATOM 297 O ALA A 20 5.439 -14.657 17.274 1.00 43.13 O ATOM 298 CB ALA A 20 4.643 -13.157 14.430 1.00 35.12 C ATOM 0 H ALA A 20 6.850 -13.435 13.368 1.00 50.33 H new ATOM 0 HA ALA A 20 6.056 -12.592 15.944 1.00 31.14 H new ATOM 0 HB1 ALA A 20 3.782 -13.106 15.096 1.00 35.12 H new ATOM 0 HB2 ALA A 20 4.745 -12.213 13.895 1.00 35.12 H new ATOM 0 HB3 ALA A 20 4.500 -13.966 13.714 1.00 35.12 H new ATOM 304 N LEU A 21 5.990 -15.853 15.440 1.00 52.22 N ATOM 305 CA LEU A 21 5.932 -17.153 16.125 1.00 44.41 C ATOM 306 C LEU A 21 6.995 -17.252 17.226 1.00 63.13 C ATOM 307 O LEU A 21 6.729 -17.758 18.319 1.00 63.51 O ATOM 308 CB LEU A 21 6.124 -18.305 15.126 1.00 23.14 C ATOM 309 CG LEU A 21 5.083 -18.385 13.998 1.00 1.22 C ATOM 310 CD1 LEU A 21 5.358 -19.590 13.102 1.00 42.43 C ATOM 311 CD2 LEU A 21 3.666 -18.442 14.567 1.00 33.13 C ATOM 0 H LEU A 21 6.222 -15.912 14.449 1.00 52.22 H new ATOM 0 HA LEU A 21 4.946 -17.233 16.583 1.00 44.41 H new ATOM 0 HB2 LEU A 21 7.113 -18.212 14.678 1.00 23.14 H new ATOM 0 HB3 LEU A 21 6.110 -19.246 15.676 1.00 23.14 H new ATOM 0 HG LEU A 21 5.164 -17.482 13.393 1.00 1.22 H new ATOM 0 HD11 LEU A 21 4.612 -19.631 12.309 1.00 42.43 H new ATOM 0 HD12 LEU A 21 6.351 -19.497 12.662 1.00 42.43 H new ATOM 0 HD13 LEU A 21 5.308 -20.503 13.695 1.00 42.43 H new ATOM 0 HD21 LEU A 21 2.948 -18.498 13.749 1.00 33.13 H new ATOM 0 HD22 LEU A 21 3.564 -19.323 15.201 1.00 33.13 H new ATOM 0 HD23 LEU A 21 3.475 -17.546 15.157 1.00 33.13 H new ATOM 323 N ALA A 22 8.200 -16.763 16.928 1.00 34.15 N ATOM 324 CA ALA A 22 9.310 -16.790 17.884 1.00 71.14 C ATOM 325 C ALA A 22 8.921 -16.141 19.221 1.00 63.34 C ATOM 326 O ALA A 22 9.082 -16.745 20.280 1.00 65.11 O ATOM 327 CB ALA A 22 10.533 -16.097 17.291 1.00 34.22 C ATOM 0 H ALA A 22 8.433 -16.342 16.029 1.00 34.15 H new ATOM 0 HA ALA A 22 9.554 -17.834 18.083 1.00 71.14 H new ATOM 0 HB1 ALA A 22 11.351 -16.124 18.011 1.00 34.22 H new ATOM 0 HB2 ALA A 22 10.836 -16.611 16.379 1.00 34.22 H new ATOM 0 HB3 ALA A 22 10.287 -15.061 17.059 1.00 34.22 H new ATOM 333 N PHE A 23 8.384 -14.918 19.156 1.00 51.20 N ATOM 334 CA PHE A 23 7.946 -14.187 20.355 1.00 1.24 C ATOM 335 C PHE A 23 7.008 -15.041 21.226 1.00 14.34 C ATOM 336 O PHE A 23 7.195 -15.154 22.441 1.00 71.42 O ATOM 337 CB PHE A 23 7.243 -12.881 19.946 1.00 22.42 C ATOM 338 CG PHE A 23 6.766 -12.046 21.109 1.00 3.11 C ATOM 339 CD1 PHE A 23 7.633 -11.178 21.760 1.00 53.35 C ATOM 340 CD2 PHE A 23 5.452 -12.127 21.553 1.00 11.12 C ATOM 341 CE1 PHE A 23 7.200 -10.412 22.826 1.00 25.44 C ATOM 342 CE2 PHE A 23 5.015 -11.363 22.619 1.00 21.44 C ATOM 343 CZ PHE A 23 5.890 -10.505 23.257 1.00 1.23 C ATOM 0 H PHE A 23 8.241 -14.410 18.283 1.00 51.20 H new ATOM 0 HA PHE A 23 8.831 -13.953 20.947 1.00 1.24 H new ATOM 0 HB2 PHE A 23 7.929 -12.286 19.343 1.00 22.42 H new ATOM 0 HB3 PHE A 23 6.390 -13.124 19.313 1.00 22.42 H new ATOM 0 HD1 PHE A 23 8.658 -11.101 21.429 1.00 53.35 H new ATOM 0 HD2 PHE A 23 4.763 -12.796 21.059 1.00 11.12 H new ATOM 0 HE1 PHE A 23 7.885 -9.741 23.322 1.00 25.44 H new ATOM 0 HE2 PHE A 23 3.991 -11.437 22.953 1.00 21.44 H new ATOM 0 HZ PHE A 23 5.551 -9.908 24.091 1.00 1.23 H new ATOM 353 N MET A 24 6.003 -15.646 20.596 1.00 72.11 N ATOM 354 CA MET A 24 5.040 -16.489 21.312 1.00 71.33 C ATOM 355 C MET A 24 5.706 -17.741 21.903 1.00 62.51 C ATOM 356 O MET A 24 5.412 -18.128 23.036 1.00 1.11 O ATOM 357 CB MET A 24 3.872 -16.878 20.391 1.00 22.24 C ATOM 358 CG MET A 24 2.964 -15.706 20.034 1.00 63.42 C ATOM 359 SD MET A 24 1.558 -16.187 19.009 1.00 2.34 S ATOM 360 CE MET A 24 2.371 -16.600 17.469 1.00 14.42 C ATOM 0 H MET A 24 5.832 -15.570 19.593 1.00 72.11 H new ATOM 0 HA MET A 24 4.648 -15.905 22.145 1.00 71.33 H new ATOM 0 HB2 MET A 24 4.271 -17.311 19.474 1.00 22.24 H new ATOM 0 HB3 MET A 24 3.279 -17.652 20.877 1.00 22.24 H new ATOM 0 HG2 MET A 24 2.597 -15.246 20.951 1.00 63.42 H new ATOM 0 HG3 MET A 24 3.547 -14.949 19.509 1.00 63.42 H new ATOM 0 HE1 MET A 24 1.622 -16.761 16.694 1.00 14.42 H new ATOM 0 HE2 MET A 24 3.029 -15.782 17.174 1.00 14.42 H new ATOM 0 HE3 MET A 24 2.958 -17.509 17.600 1.00 14.42 H new ATOM 370 N LYS A 25 6.619 -18.359 21.151 1.00 31.14 N ATOM 371 CA LYS A 25 7.324 -19.555 21.630 1.00 35.14 C ATOM 372 C LYS A 25 8.212 -19.239 22.847 1.00 1.03 C ATOM 373 O LYS A 25 8.326 -20.048 23.770 1.00 31.02 O ATOM 374 CB LYS A 25 8.180 -20.175 20.516 1.00 32.11 C ATOM 375 CG LYS A 25 8.887 -21.462 20.949 1.00 61.31 C ATOM 376 CD LYS A 25 9.817 -22.008 19.871 1.00 72.34 C ATOM 377 CE LYS A 25 10.525 -23.280 20.332 1.00 5.14 C ATOM 378 NZ LYS A 25 11.352 -23.055 21.551 1.00 53.20 N ATOM 0 H LYS A 25 6.888 -18.056 20.215 1.00 31.14 H new ATOM 0 HA LYS A 25 6.562 -20.272 21.934 1.00 35.14 H new ATOM 0 HB2 LYS A 25 7.547 -20.387 19.655 1.00 32.11 H new ATOM 0 HB3 LYS A 25 8.926 -19.449 20.192 1.00 32.11 H new ATOM 0 HG2 LYS A 25 9.460 -21.270 21.856 1.00 61.31 H new ATOM 0 HG3 LYS A 25 8.141 -22.217 21.197 1.00 61.31 H new ATOM 0 HD2 LYS A 25 9.245 -22.217 18.967 1.00 72.34 H new ATOM 0 HD3 LYS A 25 10.558 -21.252 19.612 1.00 72.34 H new ATOM 0 HE2 LYS A 25 9.784 -24.053 20.536 1.00 5.14 H new ATOM 0 HE3 LYS A 25 11.160 -23.652 19.528 1.00 5.14 H new ATOM 0 HZ1 LYS A 25 12.172 -23.695 21.538 1.00 53.20 H new ATOM 0 HZ2 LYS A 25 11.683 -22.069 21.569 1.00 53.20 H new ATOM 0 HZ3 LYS A 25 10.779 -23.243 22.399 1.00 53.20 H new ATOM 392 N VAL A 26 8.843 -18.064 22.842 1.00 13.34 N ATOM 393 CA VAL A 26 9.703 -17.641 23.956 1.00 44.12 C ATOM 394 C VAL A 26 8.938 -17.622 25.288 1.00 11.34 C ATOM 395 O VAL A 26 9.310 -18.317 26.237 1.00 53.13 O ATOM 396 CB VAL A 26 10.327 -16.246 23.699 1.00 24.30 C ATOM 397 CG1 VAL A 26 11.138 -15.784 24.909 1.00 52.44 C ATOM 398 CG2 VAL A 26 11.203 -16.272 22.448 1.00 22.03 C ATOM 0 H VAL A 26 8.777 -17.387 22.082 1.00 13.34 H new ATOM 0 HA VAL A 26 10.504 -18.377 24.023 1.00 44.12 H new ATOM 0 HB VAL A 26 9.516 -15.535 23.539 1.00 24.30 H new ATOM 0 HG11 VAL A 26 11.567 -14.803 24.706 1.00 52.44 H new ATOM 0 HG12 VAL A 26 10.487 -15.723 25.781 1.00 52.44 H new ATOM 0 HG13 VAL A 26 11.939 -16.497 25.104 1.00 52.44 H new ATOM 0 HG21 VAL A 26 11.632 -15.284 22.284 1.00 22.03 H new ATOM 0 HG22 VAL A 26 12.005 -16.999 22.580 1.00 22.03 H new ATOM 0 HG23 VAL A 26 10.598 -16.552 21.586 1.00 22.03 H new ATOM 408 N MET A 27 7.866 -16.833 25.359 1.00 74.52 N ATOM 409 CA MET A 27 7.054 -16.772 26.578 1.00 44.13 C ATOM 410 C MET A 27 6.411 -18.137 26.884 1.00 31.40 C ATOM 411 O MET A 27 6.384 -18.573 28.033 1.00 52.33 O ATOM 412 CB MET A 27 5.984 -15.670 26.477 1.00 13.32 C ATOM 413 CG MET A 27 5.005 -15.835 25.321 1.00 61.40 C ATOM 414 SD MET A 27 3.760 -14.527 25.291 1.00 75.31 S ATOM 415 CE MET A 27 2.755 -15.016 23.893 1.00 42.21 C ATOM 0 H MET A 27 7.541 -16.234 24.600 1.00 74.52 H new ATOM 0 HA MET A 27 7.717 -16.520 27.406 1.00 44.13 H new ATOM 0 HB2 MET A 27 5.421 -15.643 27.410 1.00 13.32 H new ATOM 0 HB3 MET A 27 6.483 -14.706 26.377 1.00 13.32 H new ATOM 0 HG2 MET A 27 5.554 -15.834 24.379 1.00 61.40 H new ATOM 0 HG3 MET A 27 4.511 -16.803 25.401 1.00 61.40 H new ATOM 0 HE1 MET A 27 1.701 -14.879 24.137 1.00 42.21 H new ATOM 0 HE2 MET A 27 3.010 -14.402 23.029 1.00 42.21 H new ATOM 0 HE3 MET A 27 2.940 -16.065 23.661 1.00 42.21 H new ATOM 425 N LEU A 28 5.931 -18.822 25.844 1.00 41.04 N ATOM 426 CA LEU A 28 5.339 -20.161 25.991 1.00 41.34 C ATOM 427 C LEU A 28 6.285 -21.116 26.747 1.00 25.24 C ATOM 428 O LEU A 28 5.891 -21.764 27.718 1.00 63.23 O ATOM 429 CB LEU A 28 5.012 -20.733 24.603 1.00 70.00 C ATOM 430 CG LEU A 28 4.345 -22.117 24.587 1.00 43.33 C ATOM 431 CD1 LEU A 28 2.964 -22.063 25.240 1.00 44.31 C ATOM 432 CD2 LEU A 28 4.252 -22.646 23.157 1.00 10.31 C ATOM 0 H LEU A 28 5.939 -18.473 24.886 1.00 41.04 H new ATOM 0 HA LEU A 28 4.424 -20.068 26.576 1.00 41.34 H new ATOM 0 HB2 LEU A 28 4.358 -20.030 24.087 1.00 70.00 H new ATOM 0 HB3 LEU A 28 5.936 -20.790 24.028 1.00 70.00 H new ATOM 0 HG LEU A 28 4.962 -22.803 25.167 1.00 43.33 H new ATOM 0 HD11 LEU A 28 2.512 -23.054 25.217 1.00 44.31 H new ATOM 0 HD12 LEU A 28 3.063 -21.734 26.274 1.00 44.31 H new ATOM 0 HD13 LEU A 28 2.331 -21.362 24.695 1.00 44.31 H new ATOM 0 HD21 LEU A 28 3.777 -23.627 23.162 1.00 10.31 H new ATOM 0 HD22 LEU A 28 3.659 -21.959 22.553 1.00 10.31 H new ATOM 0 HD23 LEU A 28 5.253 -22.730 22.734 1.00 10.31 H new ATOM 444 N ASN A 29 7.540 -21.173 26.303 1.00 53.04 N ATOM 445 CA ASN A 29 8.563 -22.025 26.933 1.00 1.53 C ATOM 446 C ASN A 29 8.906 -21.550 28.358 1.00 60.11 C ATOM 447 O ASN A 29 9.463 -22.301 29.159 1.00 2.15 O ATOM 448 CB ASN A 29 9.830 -22.041 26.066 1.00 75.41 C ATOM 449 CG ASN A 29 9.663 -22.824 24.770 1.00 64.01 C ATOM 450 OD1 ASN A 29 10.629 -23.339 24.216 1.00 53.53 O ATOM 451 ND2 ASN A 29 8.448 -22.914 24.263 1.00 51.00 N ATOM 0 H ASN A 29 7.880 -20.637 25.504 1.00 53.04 H new ATOM 0 HA ASN A 29 8.156 -23.033 27.011 1.00 1.53 H new ATOM 0 HB2 ASN A 29 10.113 -21.015 25.829 1.00 75.41 H new ATOM 0 HB3 ASN A 29 10.650 -22.473 26.640 1.00 75.41 H new ATOM 0 HD21 ASN A 29 8.296 -23.421 23.391 1.00 51.00 H new ATOM 0 HD22 ASN A 29 7.661 -22.477 24.743 1.00 51.00 H new ATOM 458 N ARG A 30 8.571 -20.299 28.664 1.00 30.12 N ATOM 459 CA ARG A 30 8.837 -19.720 29.985 1.00 30.02 C ATOM 460 C ARG A 30 7.717 -20.040 30.993 1.00 75.00 C ATOM 461 O ARG A 30 7.841 -19.738 32.181 1.00 52.24 O ATOM 462 CB ARG A 30 9.033 -18.197 29.861 1.00 41.15 C ATOM 463 CG ARG A 30 10.452 -17.727 30.173 1.00 72.01 C ATOM 464 CD ARG A 30 11.492 -18.314 29.221 1.00 33.43 C ATOM 465 NE ARG A 30 12.844 -17.904 29.595 1.00 1.23 N ATOM 466 CZ ARG A 30 13.910 -18.094 28.868 1.00 12.52 C ATOM 467 NH1 ARG A 30 13.844 -18.697 27.725 1.00 64.21 N ATOM 468 NH2 ARG A 30 15.055 -17.676 29.294 1.00 51.42 N ATOM 0 H ARG A 30 8.112 -19.661 28.013 1.00 30.12 H new ATOM 0 HA ARG A 30 9.752 -20.172 30.368 1.00 30.02 H new ATOM 0 HB2 ARG A 30 8.773 -17.889 28.848 1.00 41.15 H new ATOM 0 HB3 ARG A 30 8.338 -17.695 30.535 1.00 41.15 H new ATOM 0 HG2 ARG A 30 10.490 -16.639 30.119 1.00 72.01 H new ATOM 0 HG3 ARG A 30 10.705 -18.004 31.196 1.00 72.01 H new ATOM 0 HD2 ARG A 30 11.424 -19.402 29.230 1.00 33.43 H new ATOM 0 HD3 ARG A 30 11.280 -17.990 28.202 1.00 33.43 H new ATOM 0 HE ARG A 30 12.963 -17.434 30.492 1.00 1.23 H new ATOM 0 HH11 ARG A 30 12.946 -19.034 27.377 1.00 64.21 H new ATOM 0 HH12 ARG A 30 14.690 -18.835 27.172 1.00 64.21 H new ATOM 0 HH21 ARG A 30 15.122 -17.201 30.194 1.00 51.42 H new ATOM 0 HH22 ARG A 30 15.893 -17.821 28.731 1.00 51.42 H new ATOM 482 N TYR A 31 6.623 -20.629 30.517 1.00 34.10 N ATOM 483 CA TYR A 31 5.536 -21.077 31.400 1.00 53.23 C ATOM 484 C TYR A 31 5.492 -22.612 31.495 1.00 62.52 C ATOM 485 O TYR A 31 6.079 -23.316 30.670 1.00 43.32 O ATOM 486 CB TYR A 31 4.179 -20.543 30.911 1.00 42.32 C ATOM 487 CG TYR A 31 4.019 -19.037 31.042 1.00 25.02 C ATOM 488 CD1 TYR A 31 3.614 -18.459 32.243 1.00 72.15 C ATOM 489 CD2 TYR A 31 4.281 -18.192 29.969 1.00 35.33 C ATOM 490 CE1 TYR A 31 3.473 -17.089 32.365 1.00 12.24 C ATOM 491 CE2 TYR A 31 4.140 -16.821 30.084 1.00 71.14 C ATOM 492 CZ TYR A 31 3.739 -16.274 31.284 1.00 41.44 C ATOM 493 OH TYR A 31 3.613 -14.905 31.408 1.00 75.23 O ATOM 0 H TYR A 31 6.461 -20.810 29.526 1.00 34.10 H new ATOM 0 HA TYR A 31 5.735 -20.676 32.394 1.00 53.23 H new ATOM 0 HB2 TYR A 31 4.047 -20.822 29.866 1.00 42.32 H new ATOM 0 HB3 TYR A 31 3.384 -21.032 31.474 1.00 42.32 H new ATOM 0 HD1 TYR A 31 3.407 -19.092 33.093 1.00 72.15 H new ATOM 0 HD2 TYR A 31 4.601 -18.614 29.028 1.00 35.33 H new ATOM 0 HE1 TYR A 31 3.156 -16.658 33.303 1.00 12.24 H new ATOM 0 HE2 TYR A 31 4.343 -16.182 29.237 1.00 71.14 H new ATOM 0 HH TYR A 31 3.649 -14.491 30.520 1.00 75.23 H new ATOM 503 N ARG A 32 4.803 -23.124 32.512 1.00 62.24 N ATOM 504 CA ARG A 32 4.655 -24.573 32.712 1.00 24.30 C ATOM 505 C ARG A 32 3.231 -25.024 32.329 1.00 62.14 C ATOM 506 O ARG A 32 2.329 -24.191 32.239 1.00 3.20 O ATOM 507 CB ARG A 32 4.954 -24.921 34.178 1.00 52.12 C ATOM 508 CG ARG A 32 6.329 -24.467 34.656 1.00 60.54 C ATOM 509 CD ARG A 32 6.494 -24.680 36.157 1.00 24.22 C ATOM 510 NE ARG A 32 5.458 -23.979 36.916 1.00 13.24 N ATOM 511 CZ ARG A 32 5.372 -23.967 38.217 1.00 13.23 C ATOM 512 NH1 ARG A 32 6.222 -24.615 38.943 1.00 32.33 N ATOM 513 NH2 ARG A 32 4.427 -23.299 38.790 1.00 44.11 N ATOM 0 H ARG A 32 4.333 -22.557 33.218 1.00 62.24 H new ATOM 0 HA ARG A 32 5.362 -25.098 32.070 1.00 24.30 H new ATOM 0 HB2 ARG A 32 4.192 -24.466 34.811 1.00 52.12 H new ATOM 0 HB3 ARG A 32 4.874 -26.000 34.308 1.00 52.12 H new ATOM 0 HG2 ARG A 32 7.102 -25.019 34.121 1.00 60.54 H new ATOM 0 HG3 ARG A 32 6.468 -23.412 34.419 1.00 60.54 H new ATOM 0 HD2 ARG A 32 6.452 -25.746 36.381 1.00 24.22 H new ATOM 0 HD3 ARG A 32 7.477 -24.327 36.470 1.00 24.22 H new ATOM 0 HE ARG A 32 4.753 -23.463 36.390 1.00 13.24 H new ATOM 0 HH11 ARG A 32 6.972 -25.145 38.499 1.00 32.33 H new ATOM 0 HH12 ARG A 32 6.143 -24.597 39.960 1.00 32.33 H new ATOM 0 HH21 ARG A 32 3.752 -22.784 38.225 1.00 44.11 H new ATOM 0 HH22 ARG A 32 4.356 -23.287 39.807 1.00 44.11 H new ATOM 527 N PRO A 33 2.996 -26.343 32.119 1.00 13.34 N ATOM 528 CA PRO A 33 1.680 -26.862 31.667 1.00 42.32 C ATOM 529 C PRO A 33 0.522 -26.694 32.683 1.00 12.15 C ATOM 530 O PRO A 33 -0.505 -27.369 32.570 1.00 15.50 O ATOM 531 CB PRO A 33 1.960 -28.354 31.415 1.00 22.31 C ATOM 532 CG PRO A 33 3.124 -28.667 32.290 1.00 11.41 C ATOM 533 CD PRO A 33 3.982 -27.433 32.281 1.00 73.21 C ATOM 0 HA PRO A 33 1.330 -26.304 30.799 1.00 42.32 H new ATOM 0 HB2 PRO A 33 1.096 -28.968 31.668 1.00 22.31 H new ATOM 0 HB3 PRO A 33 2.189 -28.543 30.366 1.00 22.31 H new ATOM 0 HG2 PRO A 33 2.799 -28.911 33.302 1.00 11.41 H new ATOM 0 HG3 PRO A 33 3.675 -29.530 31.915 1.00 11.41 H new ATOM 0 HD2 PRO A 33 4.550 -27.329 33.206 1.00 73.21 H new ATOM 0 HD3 PRO A 33 4.704 -27.449 31.464 1.00 73.21 H new ATOM 541 N GLY A 34 0.675 -25.792 33.654 1.00 14.11 N ATOM 542 CA GLY A 34 -0.397 -25.527 34.613 1.00 3.21 C ATOM 543 C GLY A 34 -0.412 -24.085 35.121 1.00 2.11 C ATOM 544 O GLY A 34 -1.118 -23.767 36.083 1.00 55.10 O ATOM 0 H GLY A 34 1.520 -25.239 33.796 1.00 14.11 H new ATOM 0 HA2 GLY A 34 -1.356 -25.750 34.146 1.00 3.21 H new ATOM 0 HA3 GLY A 34 -0.291 -26.203 35.462 1.00 3.21 H new ATOM 548 N ASP A 35 0.354 -23.207 34.471 1.00 15.23 N ATOM 549 CA ASP A 35 0.470 -21.806 34.902 1.00 5.03 C ATOM 550 C ASP A 35 -0.322 -20.855 33.990 1.00 45.45 C ATOM 551 O ASP A 35 -0.448 -21.082 32.783 1.00 53.11 O ATOM 552 CB ASP A 35 1.945 -21.388 34.941 1.00 60.54 C ATOM 553 CG ASP A 35 2.722 -22.127 36.015 1.00 2.13 C ATOM 554 OD1 ASP A 35 2.876 -23.355 35.902 1.00 10.33 O ATOM 555 OD2 ASP A 35 3.189 -21.486 36.979 1.00 35.22 O ATOM 0 H ASP A 35 0.905 -23.438 33.644 1.00 15.23 H new ATOM 0 HA ASP A 35 0.043 -21.734 35.902 1.00 5.03 H new ATOM 0 HB2 ASP A 35 2.401 -21.578 33.969 1.00 60.54 H new ATOM 0 HB3 ASP A 35 2.012 -20.315 35.120 1.00 60.54 H new ATOM 560 N ILE A 36 -0.841 -19.781 34.581 1.00 22.53 N ATOM 561 CA ILE A 36 -1.623 -18.784 33.843 1.00 4.04 C ATOM 562 C ILE A 36 -0.711 -17.727 33.198 1.00 43.31 C ATOM 563 O ILE A 36 0.224 -17.225 33.828 1.00 75.22 O ATOM 564 CB ILE A 36 -2.651 -18.081 34.770 1.00 21.55 C ATOM 565 CG1 ILE A 36 -3.587 -19.117 35.419 1.00 20.53 C ATOM 566 CG2 ILE A 36 -3.461 -17.034 34.000 1.00 61.05 C ATOM 567 CD1 ILE A 36 -4.432 -19.894 34.428 1.00 32.30 C ATOM 0 H ILE A 36 -0.735 -19.576 35.574 1.00 22.53 H new ATOM 0 HA ILE A 36 -2.159 -19.315 33.057 1.00 4.04 H new ATOM 0 HB ILE A 36 -2.100 -17.568 35.558 1.00 21.55 H new ATOM 0 HG12 ILE A 36 -2.988 -19.819 35.999 1.00 20.53 H new ATOM 0 HG13 ILE A 36 -4.246 -18.606 36.120 1.00 20.53 H new ATOM 0 HG21 ILE A 36 -4.173 -16.557 34.674 1.00 61.05 H new ATOM 0 HG22 ILE A 36 -2.787 -16.281 33.592 1.00 61.05 H new ATOM 0 HG23 ILE A 36 -4.000 -17.518 33.185 1.00 61.05 H new ATOM 0 HD11 ILE A 36 -5.063 -20.602 34.965 1.00 32.30 H new ATOM 0 HD12 ILE A 36 -5.060 -19.203 33.865 1.00 32.30 H new ATOM 0 HD13 ILE A 36 -3.782 -20.436 33.741 1.00 32.30 H new ATOM 579 N VAL A 37 -0.993 -17.393 31.942 1.00 73.53 N ATOM 580 CA VAL A 37 -0.205 -16.405 31.199 1.00 73.42 C ATOM 581 C VAL A 37 -0.420 -14.983 31.750 1.00 53.44 C ATOM 582 O VAL A 37 -1.532 -14.620 32.140 1.00 53.53 O ATOM 583 CB VAL A 37 -0.568 -16.431 29.690 1.00 73.23 C ATOM 584 CG1 VAL A 37 0.319 -15.478 28.893 1.00 53.33 C ATOM 585 CG2 VAL A 37 -0.468 -17.852 29.137 1.00 63.52 C ATOM 0 H VAL A 37 -1.766 -17.793 31.411 1.00 73.53 H new ATOM 0 HA VAL A 37 0.844 -16.673 31.323 1.00 73.42 H new ATOM 0 HB VAL A 37 -1.599 -16.093 29.587 1.00 73.23 H new ATOM 0 HG11 VAL A 37 0.041 -15.518 27.840 1.00 53.33 H new ATOM 0 HG12 VAL A 37 0.187 -14.462 29.265 1.00 53.33 H new ATOM 0 HG13 VAL A 37 1.362 -15.773 29.005 1.00 53.33 H new ATOM 0 HG21 VAL A 37 -0.726 -17.849 28.078 1.00 63.52 H new ATOM 0 HG22 VAL A 37 0.550 -18.220 29.261 1.00 63.52 H new ATOM 0 HG23 VAL A 37 -1.157 -18.502 29.677 1.00 63.52 H new ATOM 595 N SER A 38 0.651 -14.188 31.794 1.00 52.34 N ATOM 596 CA SER A 38 0.573 -12.796 32.274 1.00 42.25 C ATOM 597 C SER A 38 -0.395 -11.953 31.430 1.00 1.12 C ATOM 598 O SER A 38 -0.616 -12.236 30.254 1.00 44.11 O ATOM 599 CB SER A 38 1.962 -12.144 32.255 1.00 23.54 C ATOM 600 OG SER A 38 1.903 -10.785 32.667 1.00 61.15 O ATOM 0 H SER A 38 1.585 -14.479 31.504 1.00 52.34 H new ATOM 0 HA SER A 38 0.195 -12.830 33.296 1.00 42.25 H new ATOM 0 HB2 SER A 38 2.634 -12.696 32.912 1.00 23.54 H new ATOM 0 HB3 SER A 38 2.380 -12.203 31.250 1.00 23.54 H new ATOM 0 HG SER A 38 2.803 -10.397 32.646 1.00 61.15 H new ATOM 606 N THR A 39 -0.963 -10.909 32.035 1.00 73.03 N ATOM 607 CA THR A 39 -1.907 -10.020 31.338 1.00 30.23 C ATOM 608 C THR A 39 -1.266 -9.368 30.105 1.00 5.32 C ATOM 609 O THR A 39 -1.915 -9.199 29.072 1.00 61.43 O ATOM 610 CB THR A 39 -2.441 -8.909 32.280 1.00 30.20 C ATOM 611 OG1 THR A 39 -3.124 -9.500 33.397 1.00 60.23 O ATOM 612 CG2 THR A 39 -3.392 -7.962 31.548 1.00 33.11 C ATOM 0 H THR A 39 -0.789 -10.654 33.007 1.00 73.03 H new ATOM 0 HA THR A 39 -2.739 -10.645 31.015 1.00 30.23 H new ATOM 0 HB THR A 39 -1.585 -8.332 32.630 1.00 30.20 H new ATOM 0 HG1 THR A 39 -3.457 -8.793 33.988 1.00 60.23 H new ATOM 0 HG21 THR A 39 -3.746 -7.197 32.239 1.00 33.11 H new ATOM 0 HG22 THR A 39 -2.867 -7.488 30.719 1.00 33.11 H new ATOM 0 HG23 THR A 39 -4.242 -8.526 31.164 1.00 33.11 H new ATOM 620 N VAL A 40 0.014 -9.014 30.216 1.00 14.42 N ATOM 621 CA VAL A 40 0.750 -8.394 29.105 1.00 11.44 C ATOM 622 C VAL A 40 0.820 -9.331 27.885 1.00 60.41 C ATOM 623 O VAL A 40 0.460 -8.949 26.767 1.00 30.01 O ATOM 624 CB VAL A 40 2.189 -8.003 29.536 1.00 34.43 C ATOM 625 CG1 VAL A 40 2.940 -7.314 28.395 1.00 52.25 C ATOM 626 CG2 VAL A 40 2.158 -7.115 30.781 1.00 5.43 C ATOM 0 H VAL A 40 0.567 -9.144 31.063 1.00 14.42 H new ATOM 0 HA VAL A 40 0.204 -7.493 28.826 1.00 11.44 H new ATOM 0 HB VAL A 40 2.726 -8.919 29.782 1.00 34.43 H new ATOM 0 HG11 VAL A 40 3.945 -7.052 28.727 1.00 52.25 H new ATOM 0 HG12 VAL A 40 3.004 -7.989 27.542 1.00 52.25 H new ATOM 0 HG13 VAL A 40 2.407 -6.409 28.103 1.00 52.25 H new ATOM 0 HG21 VAL A 40 3.177 -6.853 31.066 1.00 5.43 H new ATOM 0 HG22 VAL A 40 1.596 -6.206 30.566 1.00 5.43 H new ATOM 0 HG23 VAL A 40 1.679 -7.653 31.599 1.00 5.43 H new ATOM 636 N ASP A 41 1.278 -10.561 28.115 1.00 53.21 N ATOM 637 CA ASP A 41 1.359 -11.573 27.057 1.00 53.32 C ATOM 638 C ASP A 41 -0.044 -11.963 26.566 1.00 32.24 C ATOM 639 O ASP A 41 -0.273 -12.143 25.367 1.00 13.14 O ATOM 640 CB ASP A 41 2.093 -12.815 27.572 1.00 54.00 C ATOM 641 CG ASP A 41 3.418 -12.479 28.232 1.00 24.14 C ATOM 642 OD1 ASP A 41 4.252 -11.813 27.592 1.00 0.13 O ATOM 643 OD2 ASP A 41 3.619 -12.858 29.409 1.00 32.43 O ATOM 0 H ASP A 41 1.600 -10.884 29.027 1.00 53.21 H new ATOM 0 HA ASP A 41 1.913 -11.149 26.220 1.00 53.32 H new ATOM 0 HB2 ASP A 41 1.457 -13.338 28.287 1.00 54.00 H new ATOM 0 HB3 ASP A 41 2.268 -13.499 26.742 1.00 54.00 H new ATOM 648 N GLY A 42 -0.980 -12.088 27.508 1.00 21.24 N ATOM 649 CA GLY A 42 -2.366 -12.391 27.173 1.00 71.14 C ATOM 650 C GLY A 42 -2.980 -11.366 26.226 1.00 15.42 C ATOM 651 O GLY A 42 -3.683 -11.727 25.283 1.00 71.03 O ATOM 0 H GLY A 42 -0.801 -11.984 28.507 1.00 21.24 H new ATOM 0 HA2 GLY A 42 -2.417 -13.379 26.715 1.00 71.14 H new ATOM 0 HA3 GLY A 42 -2.956 -12.433 28.089 1.00 71.14 H new ATOM 655 N ALA A 43 -2.703 -10.086 26.474 1.00 74.35 N ATOM 656 CA ALA A 43 -3.184 -9.000 25.611 1.00 14.40 C ATOM 657 C ALA A 43 -2.684 -9.167 24.168 1.00 34.30 C ATOM 658 O ALA A 43 -3.380 -8.823 23.209 1.00 71.04 O ATOM 659 CB ALA A 43 -2.747 -7.652 26.172 1.00 33.15 C ATOM 0 H ALA A 43 -2.146 -9.772 27.268 1.00 74.35 H new ATOM 0 HA ALA A 43 -4.273 -9.042 25.592 1.00 14.40 H new ATOM 0 HB1 ALA A 43 -3.109 -6.854 25.524 1.00 33.15 H new ATOM 0 HB2 ALA A 43 -3.160 -7.523 27.172 1.00 33.15 H new ATOM 0 HB3 ALA A 43 -1.659 -7.614 26.221 1.00 33.15 H new ATOM 665 N PHE A 44 -1.467 -9.684 24.028 1.00 71.13 N ATOM 666 CA PHE A 44 -0.902 -10.006 22.717 1.00 41.13 C ATOM 667 C PHE A 44 -1.655 -11.186 22.081 1.00 1.44 C ATOM 668 O PHE A 44 -2.034 -11.143 20.908 1.00 23.14 O ATOM 669 CB PHE A 44 0.590 -10.344 22.869 1.00 23.41 C ATOM 670 CG PHE A 44 1.302 -10.635 21.568 1.00 13.43 C ATOM 671 CD1 PHE A 44 1.901 -9.614 20.846 1.00 54.35 C ATOM 672 CD2 PHE A 44 1.379 -11.932 21.072 1.00 14.23 C ATOM 673 CE1 PHE A 44 2.562 -9.878 19.662 1.00 40.12 C ATOM 674 CE2 PHE A 44 2.040 -12.199 19.888 1.00 55.12 C ATOM 675 CZ PHE A 44 2.631 -11.172 19.182 1.00 55.24 C ATOM 0 H PHE A 44 -0.847 -9.891 24.811 1.00 71.13 H new ATOM 0 HA PHE A 44 -1.009 -9.141 22.062 1.00 41.13 H new ATOM 0 HB2 PHE A 44 1.090 -9.511 23.364 1.00 23.41 H new ATOM 0 HB3 PHE A 44 0.689 -11.210 23.524 1.00 23.41 H new ATOM 0 HD1 PHE A 44 1.850 -8.600 21.214 1.00 54.35 H new ATOM 0 HD2 PHE A 44 0.917 -12.740 21.619 1.00 14.23 H new ATOM 0 HE1 PHE A 44 3.025 -9.073 19.111 1.00 40.12 H new ATOM 0 HE2 PHE A 44 2.094 -13.211 19.516 1.00 55.12 H new ATOM 0 HZ PHE A 44 3.147 -11.379 18.256 1.00 55.24 H new ATOM 685 N LEU A 45 -1.867 -12.233 22.880 1.00 73.42 N ATOM 686 CA LEU A 45 -2.593 -13.434 22.442 1.00 24.45 C ATOM 687 C LEU A 45 -4.016 -13.104 21.963 1.00 10.20 C ATOM 688 O LEU A 45 -4.488 -13.665 20.973 1.00 51.42 O ATOM 689 CB LEU A 45 -2.653 -14.457 23.586 1.00 61.42 C ATOM 690 CG LEU A 45 -1.302 -15.064 23.992 1.00 23.33 C ATOM 691 CD1 LEU A 45 -1.443 -15.910 25.254 1.00 74.14 C ATOM 692 CD2 LEU A 45 -0.728 -15.896 22.847 1.00 15.23 C ATOM 0 H LEU A 45 -1.543 -12.276 23.846 1.00 73.42 H new ATOM 0 HA LEU A 45 -2.049 -13.856 21.597 1.00 24.45 H new ATOM 0 HB2 LEU A 45 -3.094 -13.976 24.459 1.00 61.42 H new ATOM 0 HB3 LEU A 45 -3.323 -15.265 23.294 1.00 61.42 H new ATOM 0 HG LEU A 45 -0.612 -14.249 24.209 1.00 23.33 H new ATOM 0 HD11 LEU A 45 -0.473 -16.329 25.521 1.00 74.14 H new ATOM 0 HD12 LEU A 45 -1.807 -15.287 26.071 1.00 74.14 H new ATOM 0 HD13 LEU A 45 -2.150 -16.719 25.072 1.00 74.14 H new ATOM 0 HD21 LEU A 45 0.230 -16.320 23.150 1.00 15.23 H new ATOM 0 HD22 LEU A 45 -1.420 -16.702 22.600 1.00 15.23 H new ATOM 0 HD23 LEU A 45 -0.584 -15.261 21.973 1.00 15.23 H new ATOM 704 N VAL A 46 -4.696 -12.202 22.671 1.00 4.55 N ATOM 705 CA VAL A 46 -6.049 -11.780 22.287 1.00 33.33 C ATOM 706 C VAL A 46 -6.086 -11.273 20.835 1.00 42.43 C ATOM 707 O VAL A 46 -6.877 -11.749 20.021 1.00 31.32 O ATOM 708 CB VAL A 46 -6.590 -10.670 23.229 1.00 53.13 C ATOM 709 CG1 VAL A 46 -7.949 -10.162 22.751 1.00 72.41 C ATOM 710 CG2 VAL A 46 -6.681 -11.175 24.669 1.00 41.14 C ATOM 0 H VAL A 46 -4.336 -11.749 23.511 1.00 4.55 H new ATOM 0 HA VAL A 46 -6.687 -12.659 22.375 1.00 33.33 H new ATOM 0 HB VAL A 46 -5.888 -9.837 23.203 1.00 53.13 H new ATOM 0 HG11 VAL A 46 -8.306 -9.386 23.428 1.00 72.41 H new ATOM 0 HG12 VAL A 46 -7.851 -9.751 21.746 1.00 72.41 H new ATOM 0 HG13 VAL A 46 -8.661 -10.987 22.737 1.00 72.41 H new ATOM 0 HG21 VAL A 46 -7.062 -10.380 25.310 1.00 41.14 H new ATOM 0 HG22 VAL A 46 -7.355 -12.031 24.713 1.00 41.14 H new ATOM 0 HG23 VAL A 46 -5.691 -11.475 25.013 1.00 41.14 H new ATOM 720 N GLU A 47 -5.214 -10.317 20.515 1.00 53.33 N ATOM 721 CA GLU A 47 -5.152 -9.755 19.160 1.00 34.21 C ATOM 722 C GLU A 47 -4.645 -10.799 18.147 1.00 21.31 C ATOM 723 O GLU A 47 -5.099 -10.841 16.999 1.00 42.15 O ATOM 724 CB GLU A 47 -4.260 -8.504 19.140 1.00 63.13 C ATOM 725 CG GLU A 47 -4.699 -7.411 20.120 1.00 72.34 C ATOM 726 CD GLU A 47 -6.146 -6.967 19.928 1.00 11.51 C ATOM 727 OE1 GLU A 47 -6.504 -6.546 18.809 1.00 1.25 O ATOM 728 OE2 GLU A 47 -6.938 -7.043 20.894 1.00 22.31 O ATOM 0 H GLU A 47 -4.543 -9.915 21.170 1.00 53.33 H new ATOM 0 HA GLU A 47 -6.162 -9.468 18.866 1.00 34.21 H new ATOM 0 HB2 GLU A 47 -3.236 -8.796 19.373 1.00 63.13 H new ATOM 0 HB3 GLU A 47 -4.252 -8.092 18.131 1.00 63.13 H new ATOM 0 HG2 GLU A 47 -4.571 -7.775 21.139 1.00 72.34 H new ATOM 0 HG3 GLU A 47 -4.044 -6.547 20.006 1.00 72.34 H new ATOM 735 N ALA A 48 -3.711 -11.649 18.580 1.00 11.31 N ATOM 736 CA ALA A 48 -3.224 -12.757 17.747 1.00 54.44 C ATOM 737 C ALA A 48 -4.356 -13.750 17.434 1.00 1.51 C ATOM 738 O ALA A 48 -4.365 -14.400 16.388 1.00 61.40 O ATOM 739 CB ALA A 48 -2.061 -13.472 18.430 1.00 74.34 C ATOM 0 H ALA A 48 -3.276 -11.594 19.501 1.00 11.31 H new ATOM 0 HA ALA A 48 -2.869 -12.339 16.805 1.00 54.44 H new ATOM 0 HB1 ALA A 48 -1.714 -14.289 17.797 1.00 74.34 H new ATOM 0 HB2 ALA A 48 -1.245 -12.767 18.592 1.00 74.34 H new ATOM 0 HB3 ALA A 48 -2.392 -13.871 19.389 1.00 74.34 H new ATOM 745 N LEU A 49 -5.308 -13.858 18.352 1.00 2.25 N ATOM 746 CA LEU A 49 -6.500 -14.680 18.149 1.00 71.51 C ATOM 747 C LEU A 49 -7.491 -13.982 17.200 1.00 23.23 C ATOM 748 O LEU A 49 -7.901 -14.550 16.186 1.00 23.12 O ATOM 749 CB LEU A 49 -7.173 -14.957 19.501 1.00 64.23 C ATOM 750 CG LEU A 49 -8.480 -15.763 19.443 1.00 23.13 C ATOM 751 CD1 LEU A 49 -8.229 -17.173 18.914 1.00 1.41 C ATOM 752 CD2 LEU A 49 -9.139 -15.803 20.819 1.00 30.14 C ATOM 0 H LEU A 49 -5.279 -13.382 19.254 1.00 2.25 H new ATOM 0 HA LEU A 49 -6.199 -15.623 17.694 1.00 71.51 H new ATOM 0 HB2 LEU A 49 -6.466 -15.492 20.135 1.00 64.23 H new ATOM 0 HB3 LEU A 49 -7.378 -14.003 19.986 1.00 64.23 H new ATOM 0 HG LEU A 49 -9.161 -15.267 18.751 1.00 23.13 H new ATOM 0 HD11 LEU A 49 -9.170 -17.723 18.883 1.00 1.41 H new ATOM 0 HD12 LEU A 49 -7.809 -17.115 17.910 1.00 1.41 H new ATOM 0 HD13 LEU A 49 -7.529 -17.689 19.571 1.00 1.41 H new ATOM 0 HD21 LEU A 49 -10.064 -16.377 20.763 1.00 30.14 H new ATOM 0 HD22 LEU A 49 -8.463 -16.273 21.533 1.00 30.14 H new ATOM 0 HD23 LEU A 49 -9.362 -14.787 21.145 1.00 30.14 H new ATOM 764 N LYS A 50 -7.836 -12.736 17.529 1.00 14.44 N ATOM 765 CA LYS A 50 -8.815 -11.939 16.767 1.00 63.12 C ATOM 766 C LYS A 50 -8.483 -11.844 15.266 1.00 21.31 C ATOM 767 O LYS A 50 -9.373 -11.637 14.440 1.00 52.32 O ATOM 768 CB LYS A 50 -8.904 -10.528 17.365 1.00 12.24 C ATOM 769 CG LYS A 50 -9.501 -10.492 18.770 1.00 22.44 C ATOM 770 CD LYS A 50 -9.205 -9.173 19.480 1.00 70.51 C ATOM 771 CE LYS A 50 -9.719 -7.964 18.705 1.00 42.21 C ATOM 772 NZ LYS A 50 -9.306 -6.689 19.348 1.00 23.04 N ATOM 0 H LYS A 50 -7.446 -12.244 18.333 1.00 14.44 H new ATOM 0 HA LYS A 50 -9.773 -12.453 16.847 1.00 63.12 H new ATOM 0 HB2 LYS A 50 -7.906 -10.091 17.393 1.00 12.24 H new ATOM 0 HB3 LYS A 50 -9.507 -9.902 16.708 1.00 12.24 H new ATOM 0 HG2 LYS A 50 -10.579 -10.638 18.710 1.00 22.44 H new ATOM 0 HG3 LYS A 50 -9.099 -11.318 19.357 1.00 22.44 H new ATOM 0 HD2 LYS A 50 -9.661 -9.187 20.470 1.00 70.51 H new ATOM 0 HD3 LYS A 50 -8.129 -9.076 19.626 1.00 70.51 H new ATOM 0 HE2 LYS A 50 -9.340 -7.997 17.684 1.00 42.21 H new ATOM 0 HE3 LYS A 50 -10.806 -8.006 18.643 1.00 42.21 H new ATOM 0 HZ1 LYS A 50 -10.150 -6.175 19.673 1.00 23.04 H new ATOM 0 HZ2 LYS A 50 -8.691 -6.894 20.161 1.00 23.04 H new ATOM 0 HZ3 LYS A 50 -8.788 -6.105 18.661 1.00 23.04 H new ATOM 786 N ARG A 51 -7.208 -11.993 14.909 1.00 15.51 N ATOM 787 CA ARG A 51 -6.803 -11.941 13.496 1.00 71.31 C ATOM 788 C ARG A 51 -7.106 -13.260 12.754 1.00 31.54 C ATOM 789 O ARG A 51 -6.619 -13.488 11.648 1.00 54.41 O ATOM 790 CB ARG A 51 -5.315 -11.579 13.368 1.00 34.21 C ATOM 791 CG ARG A 51 -4.355 -12.611 13.950 1.00 0.52 C ATOM 792 CD ARG A 51 -2.902 -12.198 13.737 1.00 10.45 C ATOM 793 NE ARG A 51 -2.608 -11.993 12.321 1.00 44.14 N ATOM 794 CZ ARG A 51 -2.281 -10.845 11.791 1.00 55.01 C ATOM 795 NH1 ARG A 51 -2.089 -9.798 12.533 1.00 32.14 N ATOM 796 NH2 ARG A 51 -2.135 -10.752 10.513 1.00 33.54 N ATOM 0 H ARG A 51 -6.443 -12.149 15.565 1.00 15.51 H new ATOM 0 HA ARG A 51 -7.396 -11.159 13.022 1.00 71.31 H new ATOM 0 HB2 ARG A 51 -5.079 -11.438 12.313 1.00 34.21 H new ATOM 0 HB3 ARG A 51 -5.144 -10.623 13.864 1.00 34.21 H new ATOM 0 HG2 ARG A 51 -4.549 -12.731 15.016 1.00 0.52 H new ATOM 0 HG3 ARG A 51 -4.532 -13.580 13.483 1.00 0.52 H new ATOM 0 HD2 ARG A 51 -2.698 -11.280 14.289 1.00 10.45 H new ATOM 0 HD3 ARG A 51 -2.241 -12.966 14.140 1.00 10.45 H new ATOM 0 HE ARG A 51 -2.662 -12.803 11.703 1.00 44.14 H new ATOM 0 HH11 ARG A 51 -2.193 -9.864 13.546 1.00 32.14 H new ATOM 0 HH12 ARG A 51 -1.834 -8.909 12.104 1.00 32.14 H new ATOM 0 HH21 ARG A 51 -2.275 -11.572 9.923 1.00 33.54 H new ATOM 0 HH22 ARG A 51 -1.880 -9.858 10.093 1.00 33.54 H new ATOM 810 N HIS A 52 -7.920 -14.119 13.370 1.00 71.11 N ATOM 811 CA HIS A 52 -8.379 -15.364 12.738 1.00 13.52 C ATOM 812 C HIS A 52 -9.898 -15.326 12.496 1.00 12.11 C ATOM 813 O HIS A 52 -10.651 -14.852 13.346 1.00 52.41 O ATOM 814 CB HIS A 52 -8.031 -16.571 13.619 1.00 24.40 C ATOM 815 CG HIS A 52 -6.562 -16.820 13.733 1.00 3.11 C ATOM 816 ND1 HIS A 52 -5.767 -16.218 14.682 1.00 53.12 N ATOM 817 CD2 HIS A 52 -5.739 -17.612 13.006 1.00 54.14 C ATOM 818 CE1 HIS A 52 -4.524 -16.627 14.535 1.00 53.54 C ATOM 819 NE2 HIS A 52 -4.479 -17.472 13.528 1.00 10.32 N ATOM 0 H HIS A 52 -8.279 -13.976 14.314 1.00 71.11 H new ATOM 0 HA HIS A 52 -7.871 -15.460 11.778 1.00 13.52 H new ATOM 0 HB2 HIS A 52 -8.444 -16.415 14.616 1.00 24.40 H new ATOM 0 HB3 HIS A 52 -8.512 -17.460 13.211 1.00 24.40 H new ATOM 0 HD2 HIS A 52 -6.022 -18.237 12.172 1.00 54.14 H new ATOM 0 HE1 HIS A 52 -3.683 -16.320 15.139 1.00 53.54 H new ATOM 0 HE2 HIS A 52 -3.642 -17.947 13.190 1.00 10.32 H new ATOM 828 N PRO A 53 -10.373 -15.851 11.346 1.00 72.32 N ATOM 829 CA PRO A 53 -11.815 -15.861 11.012 1.00 62.25 C ATOM 830 C PRO A 53 -12.669 -16.615 12.051 1.00 4.41 C ATOM 831 O PRO A 53 -13.868 -16.365 12.187 1.00 72.45 O ATOM 832 CB PRO A 53 -11.866 -16.569 9.643 1.00 30.51 C ATOM 833 CG PRO A 53 -10.566 -17.296 9.527 1.00 45.23 C ATOM 834 CD PRO A 53 -9.560 -16.469 10.282 1.00 5.25 C ATOM 0 HA PRO A 53 -12.230 -14.853 10.999 1.00 62.25 H new ATOM 0 HB2 PRO A 53 -12.709 -17.258 9.588 1.00 30.51 H new ATOM 0 HB3 PRO A 53 -11.989 -15.850 8.833 1.00 30.51 H new ATOM 0 HG2 PRO A 53 -10.641 -18.299 9.947 1.00 45.23 H new ATOM 0 HG3 PRO A 53 -10.274 -17.409 8.483 1.00 45.23 H new ATOM 0 HD2 PRO A 53 -8.758 -17.083 10.692 1.00 5.25 H new ATOM 0 HD3 PRO A 53 -9.093 -15.719 9.644 1.00 5.25 H new ATOM 842 N ASP A 54 -12.040 -17.527 12.794 1.00 65.32 N ATOM 843 CA ASP A 54 -12.735 -18.318 13.817 1.00 4.52 C ATOM 844 C ASP A 54 -12.900 -17.543 15.141 1.00 62.02 C ATOM 845 O ASP A 54 -13.416 -18.088 16.118 1.00 3.24 O ATOM 846 CB ASP A 54 -11.965 -19.616 14.083 1.00 14.31 C ATOM 847 CG ASP A 54 -11.639 -20.362 12.806 1.00 52.45 C ATOM 848 OD1 ASP A 54 -12.546 -20.993 12.229 1.00 74.22 O ATOM 849 OD2 ASP A 54 -10.469 -20.322 12.372 1.00 45.04 O ATOM 0 H ASP A 54 -11.046 -17.738 12.707 1.00 65.32 H new ATOM 0 HA ASP A 54 -13.731 -18.540 13.433 1.00 4.52 H new ATOM 0 HB2 ASP A 54 -11.041 -19.386 14.613 1.00 14.31 H new ATOM 0 HB3 ASP A 54 -12.555 -20.259 14.736 1.00 14.31 H new ATOM 854 N ALA A 55 -12.465 -16.277 15.161 1.00 14.30 N ATOM 855 CA ALA A 55 -12.467 -15.448 16.381 1.00 44.23 C ATOM 856 C ALA A 55 -13.746 -15.615 17.219 1.00 21.23 C ATOM 857 O ALA A 55 -13.683 -15.990 18.393 1.00 62.23 O ATOM 858 CB ALA A 55 -12.267 -13.980 16.012 1.00 41.23 C ATOM 0 H ALA A 55 -12.102 -15.797 14.338 1.00 14.30 H new ATOM 0 HA ALA A 55 -11.639 -15.792 17.001 1.00 44.23 H new ATOM 0 HB1 ALA A 55 -12.270 -13.374 16.918 1.00 41.23 H new ATOM 0 HB2 ALA A 55 -11.313 -13.861 15.498 1.00 41.23 H new ATOM 0 HB3 ALA A 55 -13.075 -13.656 15.356 1.00 41.23 H new ATOM 864 N THR A 56 -14.903 -15.352 16.610 1.00 50.44 N ATOM 865 CA THR A 56 -16.196 -15.463 17.310 1.00 14.22 C ATOM 866 C THR A 56 -16.402 -16.854 17.936 1.00 54.31 C ATOM 867 O THR A 56 -16.884 -16.975 19.066 1.00 75.52 O ATOM 868 CB THR A 56 -17.390 -15.158 16.366 1.00 61.54 C ATOM 869 OG1 THR A 56 -18.631 -15.283 17.080 1.00 73.14 O ATOM 870 CG2 THR A 56 -17.405 -16.095 15.159 1.00 32.11 C ATOM 0 H THR A 56 -14.978 -15.061 15.635 1.00 50.44 H new ATOM 0 HA THR A 56 -16.165 -14.719 18.106 1.00 14.22 H new ATOM 0 HB THR A 56 -17.271 -14.136 16.007 1.00 61.54 H new ATOM 0 HG1 THR A 56 -19.377 -15.087 16.476 1.00 73.14 H new ATOM 0 HG21 THR A 56 -18.254 -15.852 14.520 1.00 32.11 H new ATOM 0 HG22 THR A 56 -16.480 -15.976 14.594 1.00 32.11 H new ATOM 0 HG23 THR A 56 -17.491 -17.127 15.500 1.00 32.11 H new ATOM 878 N SER A 57 -16.009 -17.897 17.207 1.00 5.53 N ATOM 879 CA SER A 57 -16.182 -19.283 17.666 1.00 55.13 C ATOM 880 C SER A 57 -15.258 -19.603 18.846 1.00 23.41 C ATOM 881 O SER A 57 -15.659 -20.270 19.796 1.00 53.23 O ATOM 882 CB SER A 57 -15.907 -20.268 16.518 1.00 31.01 C ATOM 883 OG SER A 57 -16.736 -20.001 15.396 1.00 3.24 O ATOM 0 H SER A 57 -15.566 -17.813 16.292 1.00 5.53 H new ATOM 0 HA SER A 57 -17.215 -19.390 17.998 1.00 55.13 H new ATOM 0 HB2 SER A 57 -14.860 -20.202 16.223 1.00 31.01 H new ATOM 0 HB3 SER A 57 -16.077 -21.288 16.863 1.00 31.01 H new ATOM 0 HG SER A 57 -16.537 -20.642 14.682 1.00 3.24 H new ATOM 889 N LYS A 58 -14.021 -19.115 18.782 1.00 41.33 N ATOM 890 CA LYS A 58 -13.023 -19.385 19.825 1.00 74.14 C ATOM 891 C LYS A 58 -13.353 -18.630 21.127 1.00 41.24 C ATOM 892 O LYS A 58 -13.333 -19.204 22.219 1.00 30.35 O ATOM 893 CB LYS A 58 -11.621 -18.976 19.337 1.00 44.02 C ATOM 894 CG LYS A 58 -11.274 -19.465 17.931 1.00 73.13 C ATOM 895 CD LYS A 58 -11.247 -20.990 17.822 1.00 31.01 C ATOM 896 CE LYS A 58 -10.069 -21.600 18.571 1.00 15.40 C ATOM 897 NZ LYS A 58 -10.013 -23.076 18.398 1.00 12.24 N ATOM 0 H LYS A 58 -13.681 -18.529 18.019 1.00 41.33 H new ATOM 0 HA LYS A 58 -13.042 -20.455 20.032 1.00 74.14 H new ATOM 0 HB2 LYS A 58 -11.545 -17.889 19.360 1.00 44.02 H new ATOM 0 HB3 LYS A 58 -10.879 -19.362 20.036 1.00 44.02 H new ATOM 0 HG2 LYS A 58 -12.002 -19.068 17.224 1.00 73.13 H new ATOM 0 HG3 LYS A 58 -10.301 -19.068 17.643 1.00 73.13 H new ATOM 0 HD2 LYS A 58 -12.177 -21.397 18.218 1.00 31.01 H new ATOM 0 HD3 LYS A 58 -11.195 -21.277 16.772 1.00 31.01 H new ATOM 0 HE2 LYS A 58 -9.140 -21.156 18.213 1.00 15.40 H new ATOM 0 HE3 LYS A 58 -10.148 -21.360 19.631 1.00 15.40 H new ATOM 0 HZ1 LYS A 58 -9.099 -23.432 18.744 1.00 12.24 H new ATOM 0 HZ2 LYS A 58 -10.784 -23.518 18.938 1.00 12.24 H new ATOM 0 HZ3 LYS A 58 -10.117 -23.312 17.390 1.00 12.24 H new ATOM 911 N ILE A 59 -13.670 -17.344 20.986 1.00 54.22 N ATOM 912 CA ILE A 59 -13.898 -16.451 22.132 1.00 40.04 C ATOM 913 C ILE A 59 -15.244 -16.716 22.834 1.00 63.34 C ATOM 914 O ILE A 59 -15.295 -16.862 24.057 1.00 42.42 O ATOM 915 CB ILE A 59 -13.842 -14.966 21.680 1.00 44.54 C ATOM 916 CG1 ILE A 59 -12.476 -14.659 21.044 1.00 60.30 C ATOM 917 CG2 ILE A 59 -14.117 -14.024 22.852 1.00 55.12 C ATOM 918 CD1 ILE A 59 -12.348 -13.255 20.486 1.00 51.42 C ATOM 0 H ILE A 59 -13.777 -16.888 20.080 1.00 54.22 H new ATOM 0 HA ILE A 59 -13.103 -16.657 22.848 1.00 40.04 H new ATOM 0 HB ILE A 59 -14.620 -14.804 20.934 1.00 44.54 H new ATOM 0 HG12 ILE A 59 -11.698 -14.812 21.792 1.00 60.30 H new ATOM 0 HG13 ILE A 59 -12.293 -15.374 20.242 1.00 60.30 H new ATOM 0 HG21 ILE A 59 -14.072 -12.991 22.507 1.00 55.12 H new ATOM 0 HG22 ILE A 59 -15.108 -14.228 23.258 1.00 55.12 H new ATOM 0 HG23 ILE A 59 -13.368 -14.181 23.628 1.00 55.12 H new ATOM 0 HD11 ILE A 59 -11.355 -13.123 20.057 1.00 51.42 H new ATOM 0 HD12 ILE A 59 -13.101 -13.101 19.713 1.00 51.42 H new ATOM 0 HD13 ILE A 59 -12.496 -12.530 21.287 1.00 51.42 H new ATOM 930 N GLY A 60 -16.327 -16.765 22.062 1.00 74.24 N ATOM 931 CA GLY A 60 -17.655 -16.938 22.645 1.00 5.43 C ATOM 932 C GLY A 60 -18.185 -15.656 23.294 1.00 55.15 C ATOM 933 O GLY A 60 -18.393 -14.657 22.604 1.00 24.42 O ATOM 0 H GLY A 60 -16.313 -16.689 21.045 1.00 74.24 H new ATOM 0 HA2 GLY A 60 -18.349 -17.262 21.869 1.00 5.43 H new ATOM 0 HA3 GLY A 60 -17.619 -17.731 23.392 1.00 5.43 H new ATOM 937 N PRO A 61 -18.420 -15.647 24.623 1.00 1.24 N ATOM 938 CA PRO A 61 -18.892 -14.446 25.336 1.00 42.34 C ATOM 939 C PRO A 61 -17.756 -13.463 25.678 1.00 2.43 C ATOM 940 O PRO A 61 -17.992 -12.274 25.912 1.00 12.41 O ATOM 941 CB PRO A 61 -19.491 -15.037 26.614 1.00 73.14 C ATOM 942 CG PRO A 61 -18.642 -16.233 26.888 1.00 55.21 C ATOM 943 CD PRO A 61 -18.270 -16.801 25.537 1.00 34.41 C ATOM 0 HA PRO A 61 -19.588 -13.858 24.737 1.00 42.34 H new ATOM 0 HB2 PRO A 61 -19.456 -14.325 27.438 1.00 73.14 H new ATOM 0 HB3 PRO A 61 -20.536 -15.312 26.475 1.00 73.14 H new ATOM 0 HG2 PRO A 61 -17.752 -15.958 27.454 1.00 55.21 H new ATOM 0 HG3 PRO A 61 -19.184 -16.967 27.484 1.00 55.21 H new ATOM 0 HD2 PRO A 61 -17.251 -17.188 25.531 1.00 34.41 H new ATOM 0 HD3 PRO A 61 -18.925 -17.625 25.254 1.00 34.41 H new ATOM 951 N GLY A 62 -16.524 -13.965 25.715 1.00 0.34 N ATOM 952 CA GLY A 62 -15.382 -13.131 26.065 1.00 75.33 C ATOM 953 C GLY A 62 -14.227 -13.919 26.667 1.00 15.13 C ATOM 954 O GLY A 62 -14.431 -14.978 27.268 1.00 61.41 O ATOM 0 H GLY A 62 -16.294 -14.937 25.508 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -15.033 -12.611 25.173 1.00 75.33 H new ATOM 0 HA3 GLY A 62 -15.701 -12.368 26.774 1.00 75.33 H new ATOM 958 N VAL A 63 -13.012 -13.401 26.510 1.00 40.32 N ATOM 959 CA VAL A 63 -11.816 -14.049 27.054 1.00 42.35 C ATOM 960 C VAL A 63 -11.615 -13.686 28.533 1.00 21.23 C ATOM 961 O VAL A 63 -11.555 -12.509 28.894 1.00 3.04 O ATOM 962 CB VAL A 63 -10.547 -13.650 26.259 1.00 34.44 C ATOM 963 CG1 VAL A 63 -9.314 -14.355 26.821 1.00 74.22 C ATOM 964 CG2 VAL A 63 -10.724 -13.958 24.771 1.00 30.14 C ATOM 0 H VAL A 63 -12.827 -12.532 26.009 1.00 40.32 H new ATOM 0 HA VAL A 63 -11.969 -15.124 26.964 1.00 42.35 H new ATOM 0 HB VAL A 63 -10.398 -12.576 26.366 1.00 34.44 H new ATOM 0 HG11 VAL A 63 -8.434 -14.061 26.249 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -9.178 -14.073 27.865 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -9.448 -15.434 26.751 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -9.822 -13.671 24.230 1.00 30.14 H new ATOM 0 HG22 VAL A 63 -10.902 -15.025 24.639 1.00 30.14 H new ATOM 0 HG23 VAL A 63 -11.574 -13.398 24.382 1.00 30.14 H new ATOM 974 N ARG A 64 -11.523 -14.701 29.387 1.00 14.12 N ATOM 975 CA ARG A 64 -11.288 -14.483 30.815 1.00 60.31 C ATOM 976 C ARG A 64 -9.783 -14.502 31.127 1.00 43.35 C ATOM 977 O ARG A 64 -9.271 -13.615 31.812 1.00 15.11 O ATOM 978 CB ARG A 64 -12.021 -15.549 31.637 1.00 62.21 C ATOM 979 CG ARG A 64 -12.075 -15.247 33.127 1.00 20.45 C ATOM 980 CD ARG A 64 -12.855 -16.310 33.890 1.00 55.32 C ATOM 981 NE ARG A 64 -13.051 -15.943 35.290 1.00 3.12 N ATOM 982 CZ ARG A 64 -13.310 -16.792 36.246 1.00 52.41 C ATOM 983 NH1 ARG A 64 -13.348 -18.066 36.007 1.00 61.43 N ATOM 984 NH2 ARG A 64 -13.505 -16.366 37.448 1.00 54.52 N ATOM 0 H ARG A 64 -11.607 -15.681 29.118 1.00 14.12 H new ATOM 0 HA ARG A 64 -11.678 -13.502 31.086 1.00 60.31 H new ATOM 0 HB2 ARG A 64 -13.038 -15.649 31.259 1.00 62.21 H new ATOM 0 HB3 ARG A 64 -11.529 -16.510 31.488 1.00 62.21 H new ATOM 0 HG2 ARG A 64 -11.061 -15.186 33.523 1.00 20.45 H new ATOM 0 HG3 ARG A 64 -12.538 -14.273 33.284 1.00 20.45 H new ATOM 0 HD2 ARG A 64 -13.825 -16.460 33.415 1.00 55.32 H new ATOM 0 HD3 ARG A 64 -12.323 -17.260 33.835 1.00 55.32 H new ATOM 0 HE ARG A 64 -12.981 -14.956 35.537 1.00 3.12 H new ATOM 0 HH11 ARG A 64 -13.174 -18.413 35.064 1.00 61.43 H new ATOM 0 HH12 ARG A 64 -13.551 -18.721 36.762 1.00 61.43 H new ATOM 0 HH21 ARG A 64 -13.457 -15.367 37.649 1.00 54.52 H new ATOM 0 HH22 ARG A 64 -13.708 -17.028 38.197 1.00 54.52 H new ATOM 998 N ASN A 65 -9.084 -15.519 30.617 1.00 55.33 N ATOM 999 CA ASN A 65 -7.627 -15.625 30.771 1.00 31.34 C ATOM 1000 C ASN A 65 -7.044 -16.707 29.843 1.00 43.34 C ATOM 1001 O ASN A 65 -7.781 -17.409 29.148 1.00 3.50 O ATOM 1002 CB ASN A 65 -7.251 -15.927 32.232 1.00 53.21 C ATOM 1003 CG ASN A 65 -7.811 -17.249 32.725 1.00 54.13 C ATOM 1004 OD1 ASN A 65 -7.193 -18.292 32.574 1.00 72.11 O ATOM 1005 ND2 ASN A 65 -8.980 -17.213 33.328 1.00 64.15 N ATOM 0 H ASN A 65 -9.504 -16.285 30.091 1.00 55.33 H new ATOM 0 HA ASN A 65 -7.198 -14.663 30.489 1.00 31.34 H new ATOM 0 HB2 ASN A 65 -6.165 -15.940 32.327 1.00 53.21 H new ATOM 0 HB3 ASN A 65 -7.617 -15.123 32.870 1.00 53.21 H new ATOM 0 HD21 ASN A 65 -9.396 -18.073 33.686 1.00 64.15 H new ATOM 0 HD22 ASN A 65 -9.470 -16.325 33.438 1.00 64.15 H new ATOM 1012 N PHE A 66 -5.715 -16.825 29.837 1.00 62.30 N ATOM 1013 CA PHE A 66 -5.011 -17.844 29.042 1.00 71.40 C ATOM 1014 C PHE A 66 -4.160 -18.757 29.939 1.00 11.12 C ATOM 1015 O PHE A 66 -3.445 -18.280 30.824 1.00 33.11 O ATOM 1016 CB PHE A 66 -4.098 -17.182 27.996 1.00 22.23 C ATOM 1017 CG PHE A 66 -4.827 -16.483 26.877 1.00 25.13 C ATOM 1018 CD1 PHE A 66 -5.240 -15.163 27.008 1.00 42.32 C ATOM 1019 CD2 PHE A 66 -5.089 -17.146 25.687 1.00 11.41 C ATOM 1020 CE1 PHE A 66 -5.898 -14.523 25.975 1.00 72.52 C ATOM 1021 CE2 PHE A 66 -5.748 -16.510 24.652 1.00 50.44 C ATOM 1022 CZ PHE A 66 -6.153 -15.197 24.795 1.00 74.12 C ATOM 0 H PHE A 66 -5.095 -16.222 30.379 1.00 62.30 H new ATOM 0 HA PHE A 66 -5.770 -18.444 28.539 1.00 71.40 H new ATOM 0 HB2 PHE A 66 -3.455 -16.460 28.500 1.00 22.23 H new ATOM 0 HB3 PHE A 66 -3.447 -17.944 27.567 1.00 22.23 H new ATOM 0 HD1 PHE A 66 -5.045 -14.631 27.927 1.00 42.32 H new ATOM 0 HD2 PHE A 66 -4.774 -18.172 25.568 1.00 11.41 H new ATOM 0 HE1 PHE A 66 -6.213 -13.496 26.089 1.00 72.52 H new ATOM 0 HE2 PHE A 66 -5.946 -17.039 23.732 1.00 50.44 H new ATOM 0 HZ PHE A 66 -6.668 -14.698 23.987 1.00 74.12 H new ATOM 1032 N GLU A 67 -4.228 -20.063 29.701 1.00 31.22 N ATOM 1033 CA GLU A 67 -3.408 -21.034 30.439 1.00 43.13 C ATOM 1034 C GLU A 67 -2.507 -21.834 29.485 1.00 12.04 C ATOM 1035 O GLU A 67 -2.941 -22.255 28.411 1.00 42.32 O ATOM 1036 CB GLU A 67 -4.300 -21.999 31.236 1.00 50.24 C ATOM 1037 CG GLU A 67 -3.517 -23.022 32.058 1.00 2.31 C ATOM 1038 CD GLU A 67 -4.414 -23.990 32.814 1.00 32.30 C ATOM 1039 OE1 GLU A 67 -5.003 -23.587 33.840 1.00 33.23 O ATOM 1040 OE2 GLU A 67 -4.532 -25.162 32.393 1.00 35.14 O ATOM 0 H GLU A 67 -4.843 -20.480 29.002 1.00 31.22 H new ATOM 0 HA GLU A 67 -2.776 -20.476 31.130 1.00 43.13 H new ATOM 0 HB2 GLU A 67 -4.939 -21.421 31.904 1.00 50.24 H new ATOM 0 HB3 GLU A 67 -4.957 -22.527 30.545 1.00 50.24 H new ATOM 0 HG2 GLU A 67 -2.860 -23.586 31.396 1.00 2.31 H new ATOM 0 HG3 GLU A 67 -2.879 -22.497 32.768 1.00 2.31 H new ATOM 1047 N VAL A 68 -1.253 -22.037 29.873 1.00 65.51 N ATOM 1048 CA VAL A 68 -0.329 -22.856 29.086 1.00 14.40 C ATOM 1049 C VAL A 68 -0.452 -24.332 29.481 1.00 51.42 C ATOM 1050 O VAL A 68 -0.145 -24.706 30.610 1.00 11.12 O ATOM 1051 CB VAL A 68 1.138 -22.393 29.273 1.00 63.35 C ATOM 1052 CG1 VAL A 68 2.102 -23.319 28.534 1.00 74.00 C ATOM 1053 CG2 VAL A 68 1.310 -20.949 28.804 1.00 12.34 C ATOM 0 H VAL A 68 -0.850 -21.648 30.726 1.00 65.51 H new ATOM 0 HA VAL A 68 -0.599 -22.736 28.037 1.00 14.40 H new ATOM 0 HB VAL A 68 1.375 -22.440 30.336 1.00 63.35 H new ATOM 0 HG11 VAL A 68 3.125 -22.972 28.681 1.00 74.00 H new ATOM 0 HG12 VAL A 68 2.003 -24.332 28.923 1.00 74.00 H new ATOM 0 HG13 VAL A 68 1.867 -23.314 27.470 1.00 74.00 H new ATOM 0 HG21 VAL A 68 2.347 -20.642 28.943 1.00 12.34 H new ATOM 0 HG22 VAL A 68 1.049 -20.876 27.748 1.00 12.34 H new ATOM 0 HG23 VAL A 68 0.658 -20.297 29.385 1.00 12.34 H new ATOM 1063 N ARG A 69 -0.911 -25.164 28.550 1.00 73.41 N ATOM 1064 CA ARG A 69 -1.079 -26.599 28.810 1.00 0.15 C ATOM 1065 C ARG A 69 -0.548 -27.426 27.627 1.00 11.22 C ATOM 1066 O ARG A 69 -0.413 -26.915 26.511 1.00 33.42 O ATOM 1067 CB ARG A 69 -2.561 -26.912 29.084 1.00 11.12 C ATOM 1068 CG ARG A 69 -2.815 -28.300 29.668 1.00 42.05 C ATOM 1069 CD ARG A 69 -4.285 -28.500 30.035 1.00 14.43 C ATOM 1070 NE ARG A 69 -4.517 -29.771 30.724 1.00 1.14 N ATOM 1071 CZ ARG A 69 -5.545 -30.014 31.499 1.00 40.51 C ATOM 1072 NH1 ARG A 69 -6.438 -29.102 31.723 1.00 54.31 N ATOM 1073 NH2 ARG A 69 -5.670 -31.172 32.061 1.00 54.20 N ATOM 0 H ARG A 69 -1.174 -24.874 27.608 1.00 73.41 H new ATOM 0 HA ARG A 69 -0.501 -26.871 29.693 1.00 0.15 H new ATOM 0 HB2 ARG A 69 -2.957 -26.164 29.771 1.00 11.12 H new ATOM 0 HB3 ARG A 69 -3.118 -26.816 28.152 1.00 11.12 H new ATOM 0 HG2 ARG A 69 -2.514 -29.059 28.946 1.00 42.05 H new ATOM 0 HG3 ARG A 69 -2.197 -28.440 30.555 1.00 42.05 H new ATOM 0 HD2 ARG A 69 -4.613 -27.679 30.672 1.00 14.43 H new ATOM 0 HD3 ARG A 69 -4.891 -28.464 29.130 1.00 14.43 H new ATOM 0 HE ARG A 69 -3.833 -30.516 30.592 1.00 1.14 H new ATOM 0 HH11 ARG A 69 -6.346 -28.181 31.294 1.00 54.31 H new ATOM 0 HH12 ARG A 69 -7.233 -29.305 32.329 1.00 54.31 H new ATOM 0 HH21 ARG A 69 -4.969 -31.895 31.901 1.00 54.20 H new ATOM 0 HH22 ARG A 69 -6.470 -31.362 32.665 1.00 54.20 H new ATOM 1087 N SER A 70 -0.239 -28.698 27.875 1.00 51.54 N ATOM 1088 CA SER A 70 0.347 -29.571 26.846 1.00 5.33 C ATOM 1089 C SER A 70 -0.593 -29.763 25.649 1.00 44.34 C ATOM 1090 O SER A 70 -1.798 -29.969 25.812 1.00 14.45 O ATOM 1091 CB SER A 70 0.703 -30.941 27.438 1.00 70.44 C ATOM 1092 OG SER A 70 -0.445 -31.604 27.947 1.00 31.14 O ATOM 0 H SER A 70 -0.383 -29.151 28.777 1.00 51.54 H new ATOM 0 HA SER A 70 1.252 -29.078 26.492 1.00 5.33 H new ATOM 0 HB2 SER A 70 1.171 -31.559 26.672 1.00 70.44 H new ATOM 0 HB3 SER A 70 1.435 -30.814 28.236 1.00 70.44 H new ATOM 0 HG SER A 70 -0.184 -32.474 28.315 1.00 31.14 H new ATOM 1098 N ALA A 71 -0.037 -29.685 24.442 1.00 34.03 N ATOM 1099 CA ALA A 71 -0.806 -29.922 23.219 1.00 51.01 C ATOM 1100 C ALA A 71 -0.976 -31.426 22.962 1.00 72.53 C ATOM 1101 O ALA A 71 -2.097 -31.931 22.839 1.00 61.12 O ATOM 1102 CB ALA A 71 -0.124 -29.248 22.033 1.00 24.14 C ATOM 0 H ALA A 71 0.945 -29.459 24.283 1.00 34.03 H new ATOM 0 HA ALA A 71 -1.798 -29.489 23.345 1.00 51.01 H new ATOM 0 HB1 ALA A 71 -0.704 -29.430 21.128 1.00 24.14 H new ATOM 0 HB2 ALA A 71 -0.059 -28.175 22.212 1.00 24.14 H new ATOM 0 HB3 ALA A 71 0.879 -29.657 21.910 1.00 24.14 H new ATOM 1108 N ASP A 72 0.145 -32.139 22.891 1.00 33.31 N ATOM 1109 CA ASP A 72 0.134 -33.592 22.691 1.00 44.41 C ATOM 1110 C ASP A 72 1.134 -34.305 23.623 1.00 63.24 C ATOM 1111 O ASP A 72 0.731 -34.967 24.581 1.00 22.51 O ATOM 1112 CB ASP A 72 0.406 -33.924 21.215 1.00 1.34 C ATOM 1113 CG ASP A 72 1.486 -33.046 20.608 1.00 2.31 C ATOM 1114 OD1 ASP A 72 1.162 -31.929 20.156 1.00 53.14 O ATOM 1115 OD2 ASP A 72 2.664 -33.456 20.593 1.00 13.15 O ATOM 0 H ASP A 72 1.078 -31.735 22.969 1.00 33.31 H new ATOM 0 HA ASP A 72 -0.857 -33.963 22.952 1.00 44.41 H new ATOM 0 HB2 ASP A 72 0.703 -34.969 21.130 1.00 1.34 H new ATOM 0 HB3 ASP A 72 -0.515 -33.807 20.644 1.00 1.34 H new ATOM 1120 N TYR A 73 2.431 -34.169 23.344 1.00 3.23 N ATOM 1121 CA TYR A 73 3.477 -34.782 24.176 1.00 2.13 C ATOM 1122 C TYR A 73 4.646 -33.808 24.369 1.00 62.12 C ATOM 1123 O TYR A 73 5.419 -33.568 23.437 1.00 34.34 O ATOM 1124 CB TYR A 73 3.987 -36.085 23.533 1.00 31.22 C ATOM 1125 CG TYR A 73 2.895 -37.099 23.235 1.00 23.32 C ATOM 1126 CD1 TYR A 73 2.438 -37.973 24.217 1.00 75.14 C ATOM 1127 CD2 TYR A 73 2.320 -37.178 21.969 1.00 61.43 C ATOM 1128 CE1 TYR A 73 1.445 -38.896 23.945 1.00 62.34 C ATOM 1129 CE2 TYR A 73 1.327 -38.096 21.692 1.00 51.05 C ATOM 1130 CZ TYR A 73 0.893 -38.951 22.682 1.00 34.32 C ATOM 1131 OH TYR A 73 -0.096 -39.869 22.406 1.00 54.21 O ATOM 0 H TYR A 73 2.787 -33.640 22.548 1.00 3.23 H new ATOM 0 HA TYR A 73 3.044 -35.015 25.149 1.00 2.13 H new ATOM 0 HB2 TYR A 73 4.505 -35.841 22.605 1.00 31.22 H new ATOM 0 HB3 TYR A 73 4.721 -36.542 24.197 1.00 31.22 H new ATOM 0 HD1 TYR A 73 2.866 -37.930 25.208 1.00 75.14 H new ATOM 0 HD2 TYR A 73 2.657 -36.509 21.191 1.00 61.43 H new ATOM 0 HE1 TYR A 73 1.104 -39.570 24.717 1.00 62.34 H new ATOM 0 HE2 TYR A 73 0.892 -38.144 20.704 1.00 51.05 H new ATOM 0 HH TYR A 73 -0.377 -39.776 21.472 1.00 54.21 H new ATOM 1141 N GLY A 74 4.754 -33.220 25.561 1.00 51.45 N ATOM 1142 CA GLY A 74 5.824 -32.259 25.838 1.00 32.20 C ATOM 1143 C GLY A 74 5.553 -30.870 25.258 1.00 44.13 C ATOM 1144 O GLY A 74 5.878 -29.853 25.876 1.00 20.22 O ATOM 0 H GLY A 74 4.121 -33.389 26.343 1.00 51.45 H new ATOM 0 HA2 GLY A 74 5.958 -32.175 26.917 1.00 32.20 H new ATOM 0 HA3 GLY A 74 6.760 -32.640 25.429 1.00 32.20 H new ATOM 1148 N THR A 75 4.960 -30.836 24.067 1.00 22.12 N ATOM 1149 CA THR A 75 4.626 -29.582 23.381 1.00 24.40 C ATOM 1150 C THR A 75 3.651 -28.721 24.197 1.00 12.50 C ATOM 1151 O THR A 75 2.737 -29.236 24.842 1.00 43.32 O ATOM 1152 CB THR A 75 3.996 -29.856 21.995 1.00 65.44 C ATOM 1153 OG1 THR A 75 2.803 -30.646 22.148 1.00 21.12 O ATOM 1154 CG2 THR A 75 4.979 -30.585 21.082 1.00 1.21 C ATOM 0 H THR A 75 4.696 -31.673 23.548 1.00 22.12 H new ATOM 0 HA THR A 75 5.564 -29.040 23.263 1.00 24.40 H new ATOM 0 HB THR A 75 3.746 -28.898 21.539 1.00 65.44 H new ATOM 0 HG1 THR A 75 3.047 -31.588 22.266 1.00 21.12 H new ATOM 0 HG21 THR A 75 4.511 -30.765 20.114 1.00 1.21 H new ATOM 0 HG22 THR A 75 5.871 -29.974 20.946 1.00 1.21 H new ATOM 0 HG23 THR A 75 5.257 -31.537 21.534 1.00 1.21 H new ATOM 1162 N GLN A 76 3.848 -27.407 24.152 1.00 51.13 N ATOM 1163 CA GLN A 76 3.006 -26.458 24.890 1.00 20.32 C ATOM 1164 C GLN A 76 2.100 -25.660 23.939 1.00 4.14 C ATOM 1165 O GLN A 76 2.480 -25.371 22.805 1.00 4.44 O ATOM 1166 CB GLN A 76 3.893 -25.489 25.683 1.00 74.42 C ATOM 1167 CG GLN A 76 4.771 -26.159 26.733 1.00 4.42 C ATOM 1168 CD GLN A 76 5.770 -25.195 27.350 1.00 3.55 C ATOM 1169 OE1 GLN A 76 6.903 -25.070 26.891 1.00 34.23 O ATOM 1170 NE2 GLN A 76 5.354 -24.492 28.381 1.00 72.33 N ATOM 0 H GLN A 76 4.590 -26.967 23.608 1.00 51.13 H new ATOM 0 HA GLN A 76 2.373 -27.026 25.571 1.00 20.32 H new ATOM 0 HB2 GLN A 76 4.531 -24.946 24.986 1.00 74.42 H new ATOM 0 HB3 GLN A 76 3.257 -24.752 26.174 1.00 74.42 H new ATOM 0 HG2 GLN A 76 4.140 -26.577 27.518 1.00 4.42 H new ATOM 0 HG3 GLN A 76 5.307 -26.992 26.278 1.00 4.42 H new ATOM 0 HE21 GLN A 76 4.407 -24.620 28.737 1.00 72.33 H new ATOM 0 HE22 GLN A 76 5.979 -23.818 28.824 1.00 72.33 H new ATOM 1179 N CYS A 77 0.904 -25.308 24.406 1.00 11.41 N ATOM 1180 CA CYS A 77 -0.014 -24.455 23.636 1.00 43.51 C ATOM 1181 C CYS A 77 -0.865 -23.577 24.562 1.00 65.03 C ATOM 1182 O CYS A 77 -1.039 -23.889 25.742 1.00 22.22 O ATOM 1183 CB CYS A 77 -0.922 -25.304 22.733 1.00 74.02 C ATOM 1184 SG CYS A 77 -0.064 -26.078 21.339 1.00 55.24 S ATOM 0 H CYS A 77 0.543 -25.598 25.315 1.00 11.41 H new ATOM 0 HA CYS A 77 0.593 -23.803 23.008 1.00 43.51 H new ATOM 0 HB2 CYS A 77 -1.390 -26.083 23.336 1.00 74.02 H new ATOM 0 HB3 CYS A 77 -1.724 -24.674 22.348 1.00 74.02 H new ATOM 0 HG CYS A 77 1.219 -26.051 21.550 1.00 55.24 H new ATOM 1190 N PHE A 78 -1.388 -22.478 24.021 1.00 75.14 N ATOM 1191 CA PHE A 78 -2.198 -21.538 24.802 1.00 24.24 C ATOM 1192 C PHE A 78 -3.690 -21.909 24.763 1.00 33.11 C ATOM 1193 O PHE A 78 -4.285 -22.055 23.690 1.00 74.13 O ATOM 1194 CB PHE A 78 -2.001 -20.107 24.283 1.00 53.43 C ATOM 1195 CG PHE A 78 -0.581 -19.603 24.390 1.00 14.13 C ATOM 1196 CD1 PHE A 78 -0.084 -19.140 25.602 1.00 34.22 C ATOM 1197 CD2 PHE A 78 0.252 -19.582 23.279 1.00 74.30 C ATOM 1198 CE1 PHE A 78 1.211 -18.667 25.701 1.00 33.41 C ATOM 1199 CE2 PHE A 78 1.546 -19.107 23.375 1.00 32.02 C ATOM 1200 CZ PHE A 78 2.026 -18.650 24.587 1.00 45.45 C ATOM 0 H PHE A 78 -1.266 -22.214 23.043 1.00 75.14 H new ATOM 0 HA PHE A 78 -1.864 -21.596 25.838 1.00 24.24 H new ATOM 0 HB2 PHE A 78 -2.313 -20.064 23.239 1.00 53.43 H new ATOM 0 HB3 PHE A 78 -2.656 -19.437 24.839 1.00 53.43 H new ATOM 0 HD1 PHE A 78 -0.717 -19.150 26.477 1.00 34.22 H new ATOM 0 HD2 PHE A 78 -0.116 -19.941 22.329 1.00 74.30 H new ATOM 0 HE1 PHE A 78 1.585 -18.311 26.650 1.00 33.41 H new ATOM 0 HE2 PHE A 78 2.182 -19.093 22.502 1.00 32.02 H new ATOM 0 HZ PHE A 78 3.038 -18.280 24.663 1.00 45.45 H new ATOM 1210 N TRP A 79 -4.285 -22.068 25.943 1.00 60.33 N ATOM 1211 CA TRP A 79 -5.709 -22.393 26.065 1.00 52.12 C ATOM 1212 C TRP A 79 -6.538 -21.160 26.461 1.00 41.35 C ATOM 1213 O TRP A 79 -6.185 -20.424 27.386 1.00 44.44 O ATOM 1214 CB TRP A 79 -5.911 -23.517 27.092 1.00 64.33 C ATOM 1215 CG TRP A 79 -5.376 -24.845 26.634 1.00 33.22 C ATOM 1216 CD1 TRP A 79 -4.064 -25.192 26.472 1.00 64.41 C ATOM 1217 CD2 TRP A 79 -6.143 -26.001 26.275 1.00 63.13 C ATOM 1218 NE1 TRP A 79 -3.971 -26.491 26.034 1.00 21.23 N ATOM 1219 CE2 TRP A 79 -5.233 -27.009 25.907 1.00 13.13 C ATOM 1220 CE3 TRP A 79 -7.513 -26.280 26.232 1.00 45.24 C ATOM 1221 CZ2 TRP A 79 -5.649 -28.274 25.500 1.00 63.32 C ATOM 1222 CZ3 TRP A 79 -7.924 -27.536 25.828 1.00 35.20 C ATOM 1223 CH2 TRP A 79 -6.995 -28.520 25.468 1.00 34.25 C ATOM 0 H TRP A 79 -3.801 -21.977 26.836 1.00 60.33 H new ATOM 0 HA TRP A 79 -6.057 -22.731 25.089 1.00 52.12 H new ATOM 0 HB2 TRP A 79 -5.422 -23.239 28.026 1.00 64.33 H new ATOM 0 HB3 TRP A 79 -6.975 -23.616 27.307 1.00 64.33 H new ATOM 0 HD1 TRP A 79 -3.223 -24.541 26.661 1.00 64.41 H new ATOM 0 HE1 TRP A 79 -3.103 -26.989 25.836 1.00 21.23 H new ATOM 0 HE3 TRP A 79 -8.236 -25.528 26.509 1.00 45.24 H new ATOM 0 HZ2 TRP A 79 -4.935 -29.034 25.220 1.00 63.32 H new ATOM 0 HZ3 TRP A 79 -8.979 -27.762 25.789 1.00 35.20 H new ATOM 0 HH2 TRP A 79 -7.348 -29.493 25.159 1.00 34.25 H new ATOM 1234 N ILE A 80 -7.640 -20.947 25.747 1.00 51.44 N ATOM 1235 CA ILE A 80 -8.533 -19.809 25.988 1.00 70.43 C ATOM 1236 C ILE A 80 -9.609 -20.152 27.029 1.00 65.51 C ATOM 1237 O ILE A 80 -10.514 -20.939 26.754 1.00 31.24 O ATOM 1238 CB ILE A 80 -9.245 -19.384 24.678 1.00 65.24 C ATOM 1239 CG1 ILE A 80 -8.227 -19.214 23.540 1.00 12.04 C ATOM 1240 CG2 ILE A 80 -10.036 -18.090 24.890 1.00 32.31 C ATOM 1241 CD1 ILE A 80 -8.863 -18.999 22.181 1.00 32.01 C ATOM 0 H ILE A 80 -7.942 -21.555 24.986 1.00 51.44 H new ATOM 0 HA ILE A 80 -7.913 -18.993 26.361 1.00 70.43 H new ATOM 0 HB ILE A 80 -9.944 -20.172 24.398 1.00 65.24 H new ATOM 0 HG12 ILE A 80 -7.580 -18.367 23.767 1.00 12.04 H new ATOM 0 HG13 ILE A 80 -7.591 -20.098 23.498 1.00 12.04 H new ATOM 0 HG21 ILE A 80 -10.529 -17.808 23.959 1.00 32.31 H new ATOM 0 HG22 ILE A 80 -10.786 -18.245 25.665 1.00 32.31 H new ATOM 0 HG23 ILE A 80 -9.357 -17.294 25.197 1.00 32.31 H new ATOM 0 HD11 ILE A 80 -8.083 -18.887 21.428 1.00 32.01 H new ATOM 0 HD12 ILE A 80 -9.488 -19.857 21.932 1.00 32.01 H new ATOM 0 HD13 ILE A 80 -9.476 -18.098 22.205 1.00 32.01 H new ATOM 1253 N LEU A 81 -9.509 -19.571 28.218 1.00 0.41 N ATOM 1254 CA LEU A 81 -10.538 -19.749 29.246 1.00 72.43 C ATOM 1255 C LEU A 81 -11.634 -18.683 29.092 1.00 54.10 C ATOM 1256 O LEU A 81 -11.383 -17.489 29.265 1.00 42.50 O ATOM 1257 CB LEU A 81 -9.926 -19.691 30.659 1.00 52.51 C ATOM 1258 CG LEU A 81 -8.990 -20.858 31.039 1.00 31.04 C ATOM 1259 CD1 LEU A 81 -9.689 -22.202 30.846 1.00 62.41 C ATOM 1260 CD2 LEU A 81 -7.681 -20.801 30.251 1.00 43.20 C ATOM 0 H LEU A 81 -8.731 -18.974 28.498 1.00 0.41 H new ATOM 0 HA LEU A 81 -10.984 -20.735 29.113 1.00 72.43 H new ATOM 0 HB2 LEU A 81 -9.369 -18.759 30.754 1.00 52.51 H new ATOM 0 HB3 LEU A 81 -10.739 -19.652 31.384 1.00 52.51 H new ATOM 0 HG LEU A 81 -8.743 -20.755 32.096 1.00 31.04 H new ATOM 0 HD11 LEU A 81 -9.009 -23.008 31.120 1.00 62.41 H new ATOM 0 HD12 LEU A 81 -10.576 -22.245 31.478 1.00 62.41 H new ATOM 0 HD13 LEU A 81 -9.981 -22.313 29.802 1.00 62.41 H new ATOM 0 HD21 LEU A 81 -7.044 -21.637 30.542 1.00 43.20 H new ATOM 0 HD22 LEU A 81 -7.896 -20.863 29.184 1.00 43.20 H new ATOM 0 HD23 LEU A 81 -7.169 -19.863 30.464 1.00 43.20 H new ATOM 1272 N ARG A 82 -12.845 -19.122 28.749 1.00 62.13 N ATOM 1273 CA ARG A 82 -13.970 -18.209 28.509 1.00 1.43 C ATOM 1274 C ARG A 82 -14.608 -17.726 29.818 1.00 64.11 C ATOM 1275 O ARG A 82 -14.556 -18.407 30.843 1.00 10.32 O ATOM 1276 CB ARG A 82 -15.040 -18.895 27.650 1.00 73.14 C ATOM 1277 CG ARG A 82 -14.575 -19.266 26.247 1.00 41.23 C ATOM 1278 CD ARG A 82 -15.681 -19.959 25.456 1.00 25.13 C ATOM 1279 NE ARG A 82 -15.258 -20.296 24.099 1.00 40.22 N ATOM 1280 CZ ARG A 82 -15.887 -21.141 23.325 1.00 3.22 C ATOM 1281 NH1 ARG A 82 -16.965 -21.731 23.728 1.00 61.31 N ATOM 1282 NH2 ARG A 82 -15.443 -21.381 22.138 1.00 21.44 N ATOM 0 H ARG A 82 -13.076 -20.108 28.630 1.00 62.13 H new ATOM 0 HA ARG A 82 -13.570 -17.342 27.984 1.00 1.43 H new ATOM 0 HB2 ARG A 82 -15.374 -19.798 28.160 1.00 73.14 H new ATOM 0 HB3 ARG A 82 -15.904 -18.235 27.571 1.00 73.14 H new ATOM 0 HG2 ARG A 82 -14.257 -18.367 25.719 1.00 41.23 H new ATOM 0 HG3 ARG A 82 -13.707 -19.922 26.312 1.00 41.23 H new ATOM 0 HD2 ARG A 82 -15.984 -20.867 25.977 1.00 25.13 H new ATOM 0 HD3 ARG A 82 -16.556 -19.310 25.412 1.00 25.13 H new ATOM 0 HE ARG A 82 -14.420 -19.844 23.733 1.00 40.22 H new ATOM 0 HH11 ARG A 82 -17.334 -21.539 24.659 1.00 61.31 H new ATOM 0 HH12 ARG A 82 -17.446 -22.388 23.114 1.00 61.31 H new ATOM 0 HH21 ARG A 82 -14.601 -20.912 21.804 1.00 21.44 H new ATOM 0 HH22 ARG A 82 -15.933 -22.040 21.534 1.00 21.44 H new ATOM 1296 N THR A 83 -15.240 -16.557 29.765 1.00 63.13 N ATOM 1297 CA THR A 83 -15.899 -15.972 30.942 1.00 42.44 C ATOM 1298 C THR A 83 -17.101 -16.808 31.409 1.00 1.41 C ATOM 1299 O THR A 83 -17.543 -16.686 32.554 1.00 15.22 O ATOM 1300 CB THR A 83 -16.373 -14.527 30.666 1.00 23.12 C ATOM 1301 OG1 THR A 83 -17.366 -14.523 29.629 1.00 3.13 O ATOM 1302 CG2 THR A 83 -15.203 -13.639 30.252 1.00 4.25 C ATOM 0 H THR A 83 -15.313 -15.990 28.920 1.00 63.13 H new ATOM 0 HA THR A 83 -15.149 -15.964 31.733 1.00 42.44 H new ATOM 0 HB THR A 83 -16.804 -14.132 31.586 1.00 23.12 H new ATOM 0 HG1 THR A 83 -17.661 -13.604 29.462 1.00 3.13 H new ATOM 0 HG21 THR A 83 -15.563 -12.628 30.063 1.00 4.25 H new ATOM 0 HG22 THR A 83 -14.462 -13.617 31.051 1.00 4.25 H new ATOM 0 HG23 THR A 83 -14.747 -14.037 29.345 1.00 4.25 H new ATOM 1310 N ASP A 84 -17.627 -17.659 30.528 1.00 4.41 N ATOM 1311 CA ASP A 84 -18.741 -18.548 30.886 1.00 72.21 C ATOM 1312 C ASP A 84 -18.259 -19.780 31.680 1.00 72.13 C ATOM 1313 O ASP A 84 -19.066 -20.591 32.136 1.00 52.21 O ATOM 1314 CB ASP A 84 -19.512 -18.982 29.626 1.00 63.35 C ATOM 1315 CG ASP A 84 -18.627 -19.598 28.554 1.00 32.42 C ATOM 1316 OD1 ASP A 84 -17.654 -20.294 28.898 1.00 21.11 O ATOM 1317 OD2 ASP A 84 -18.911 -19.398 27.357 1.00 43.42 O ATOM 0 H ASP A 84 -17.304 -17.754 29.565 1.00 4.41 H new ATOM 0 HA ASP A 84 -19.414 -17.986 31.533 1.00 72.21 H new ATOM 0 HB2 ASP A 84 -20.280 -19.702 29.910 1.00 63.35 H new ATOM 0 HB3 ASP A 84 -20.026 -18.116 29.208 1.00 63.35 H new ATOM 1322 N GLY A 85 -16.941 -19.916 31.829 1.00 64.25 N ATOM 1323 CA GLY A 85 -16.371 -21.033 32.582 1.00 11.31 C ATOM 1324 C GLY A 85 -15.874 -22.177 31.697 1.00 1.21 C ATOM 1325 O GLY A 85 -15.449 -23.217 32.200 1.00 23.31 O ATOM 0 H GLY A 85 -16.252 -19.271 31.441 1.00 64.25 H new ATOM 0 HA2 GLY A 85 -15.542 -20.667 33.188 1.00 11.31 H new ATOM 0 HA3 GLY A 85 -17.123 -21.418 33.271 1.00 11.31 H new ATOM 1329 N SER A 86 -15.932 -21.993 30.379 1.00 13.21 N ATOM 1330 CA SER A 86 -15.468 -23.017 29.427 1.00 12.31 C ATOM 1331 C SER A 86 -14.025 -22.753 28.977 1.00 5.02 C ATOM 1332 O SER A 86 -13.391 -21.798 29.424 1.00 41.34 O ATOM 1333 CB SER A 86 -16.389 -23.057 28.201 1.00 33.41 C ATOM 1334 OG SER A 86 -17.747 -23.202 28.586 1.00 12.34 O ATOM 0 H SER A 86 -16.295 -21.147 29.940 1.00 13.21 H new ATOM 0 HA SER A 86 -15.497 -23.980 29.938 1.00 12.31 H new ATOM 0 HB2 SER A 86 -16.268 -22.142 27.622 1.00 33.41 H new ATOM 0 HB3 SER A 86 -16.101 -23.885 27.553 1.00 33.41 H new ATOM 0 HG SER A 86 -18.122 -22.322 28.801 1.00 12.34 H new ATOM 1340 N GLU A 87 -13.503 -23.601 28.093 1.00 52.32 N ATOM 1341 CA GLU A 87 -12.135 -23.434 27.589 1.00 0.04 C ATOM 1342 C GLU A 87 -12.017 -23.826 26.107 1.00 21.01 C ATOM 1343 O GLU A 87 -12.871 -24.529 25.562 1.00 70.32 O ATOM 1344 CB GLU A 87 -11.143 -24.261 28.426 1.00 22.33 C ATOM 1345 CG GLU A 87 -11.300 -25.775 28.294 1.00 73.03 C ATOM 1346 CD GLU A 87 -12.615 -26.300 28.854 1.00 53.33 C ATOM 1347 OE1 GLU A 87 -12.668 -26.612 30.060 1.00 4.45 O ATOM 1348 OE2 GLU A 87 -13.603 -26.396 28.095 1.00 55.31 O ATOM 0 H GLU A 87 -14.000 -24.406 27.711 1.00 52.32 H new ATOM 0 HA GLU A 87 -11.889 -22.376 27.678 1.00 0.04 H new ATOM 0 HB2 GLU A 87 -10.128 -23.988 28.135 1.00 22.33 H new ATOM 0 HB3 GLU A 87 -11.258 -23.988 29.475 1.00 22.33 H new ATOM 0 HG2 GLU A 87 -11.227 -26.050 27.242 1.00 73.03 H new ATOM 0 HG3 GLU A 87 -10.474 -26.264 28.809 1.00 73.03 H new ATOM 1355 N GLU A 88 -10.947 -23.365 25.467 1.00 73.34 N ATOM 1356 CA GLU A 88 -10.669 -23.681 24.060 1.00 2.41 C ATOM 1357 C GLU A 88 -9.154 -23.699 23.797 1.00 73.24 C ATOM 1358 O GLU A 88 -8.368 -23.282 24.640 1.00 75.35 O ATOM 1359 CB GLU A 88 -11.368 -22.656 23.138 1.00 21.45 C ATOM 1360 CG GLU A 88 -12.459 -23.256 22.250 1.00 40.42 C ATOM 1361 CD GLU A 88 -11.904 -24.061 21.079 1.00 54.12 C ATOM 1362 OE1 GLU A 88 -11.175 -25.047 21.310 1.00 52.31 O ATOM 1363 OE2 GLU A 88 -12.198 -23.714 19.917 1.00 51.33 O ATOM 0 H GLU A 88 -10.247 -22.764 25.902 1.00 73.34 H new ATOM 0 HA GLU A 88 -11.063 -24.674 23.842 1.00 2.41 H new ATOM 0 HB2 GLU A 88 -11.807 -21.870 23.753 1.00 21.45 H new ATOM 0 HB3 GLU A 88 -10.618 -22.183 22.504 1.00 21.45 H new ATOM 0 HG2 GLU A 88 -13.098 -23.900 22.855 1.00 40.42 H new ATOM 0 HG3 GLU A 88 -13.088 -22.453 21.865 1.00 40.42 H new ATOM 1370 N ARG A 89 -8.752 -24.187 22.628 1.00 61.43 N ATOM 1371 CA ARG A 89 -7.334 -24.223 22.243 1.00 2.34 C ATOM 1372 C ARG A 89 -7.140 -23.700 20.813 1.00 61.43 C ATOM 1373 O ARG A 89 -7.974 -23.939 19.939 1.00 24.03 O ATOM 1374 CB ARG A 89 -6.783 -25.656 22.360 1.00 3.21 C ATOM 1375 CG ARG A 89 -7.629 -26.710 21.646 1.00 64.32 C ATOM 1376 CD ARG A 89 -6.953 -28.081 21.640 1.00 51.44 C ATOM 1377 NE ARG A 89 -5.757 -28.102 20.795 1.00 70.43 N ATOM 1378 CZ ARG A 89 -4.978 -29.140 20.639 1.00 1.43 C ATOM 1379 NH1 ARG A 89 -5.219 -30.254 21.255 1.00 53.01 N ATOM 1380 NH2 ARG A 89 -3.959 -29.056 19.846 1.00 64.43 N ATOM 0 H ARG A 89 -9.386 -24.566 21.924 1.00 61.43 H new ATOM 0 HA ARG A 89 -6.783 -23.574 22.924 1.00 2.34 H new ATOM 0 HB2 ARG A 89 -5.772 -25.680 21.952 1.00 3.21 H new ATOM 0 HB3 ARG A 89 -6.707 -25.920 23.415 1.00 3.21 H new ATOM 0 HG2 ARG A 89 -8.600 -26.787 22.135 1.00 64.32 H new ATOM 0 HG3 ARG A 89 -7.813 -26.392 20.620 1.00 64.32 H new ATOM 0 HD2 ARG A 89 -6.681 -28.355 22.659 1.00 51.44 H new ATOM 0 HD3 ARG A 89 -7.660 -28.832 21.286 1.00 51.44 H new ATOM 0 HE ARG A 89 -5.515 -27.247 20.293 1.00 70.43 H new ATOM 0 HH11 ARG A 89 -6.027 -30.331 21.873 1.00 53.01 H new ATOM 0 HH12 ARG A 89 -4.601 -31.054 21.122 1.00 53.01 H new ATOM 0 HH21 ARG A 89 -3.770 -28.185 19.349 1.00 64.43 H new ATOM 0 HH22 ARG A 89 -3.345 -29.860 19.718 1.00 64.43 H new ATOM 1394 N PHE A 90 -6.047 -22.974 20.577 1.00 64.05 N ATOM 1395 CA PHE A 90 -5.738 -22.465 19.233 1.00 2.25 C ATOM 1396 C PHE A 90 -4.251 -22.648 18.893 1.00 4.42 C ATOM 1397 O PHE A 90 -3.372 -22.413 19.725 1.00 32.25 O ATOM 1398 CB PHE A 90 -6.143 -20.985 19.102 1.00 72.51 C ATOM 1399 CG PHE A 90 -5.302 -20.020 19.911 1.00 11.11 C ATOM 1400 CD1 PHE A 90 -5.466 -19.911 21.285 1.00 11.43 C ATOM 1401 CD2 PHE A 90 -4.361 -19.209 19.288 1.00 45.41 C ATOM 1402 CE1 PHE A 90 -4.706 -19.019 22.020 1.00 24.23 C ATOM 1403 CE2 PHE A 90 -3.598 -18.319 20.019 1.00 31.11 C ATOM 1404 CZ PHE A 90 -3.773 -18.220 21.386 1.00 13.40 C ATOM 0 H PHE A 90 -5.363 -22.724 21.291 1.00 64.05 H new ATOM 0 HA PHE A 90 -6.319 -23.048 18.518 1.00 2.25 H new ATOM 0 HB2 PHE A 90 -6.088 -20.700 18.051 1.00 72.51 H new ATOM 0 HB3 PHE A 90 -7.184 -20.880 19.406 1.00 72.51 H new ATOM 0 HD1 PHE A 90 -6.196 -20.530 21.786 1.00 11.43 H new ATOM 0 HD2 PHE A 90 -4.224 -19.275 18.219 1.00 45.41 H new ATOM 0 HE1 PHE A 90 -4.842 -18.947 23.089 1.00 24.23 H new ATOM 0 HE2 PHE A 90 -2.865 -17.701 19.522 1.00 31.11 H new ATOM 0 HZ PHE A 90 -3.182 -17.520 21.958 1.00 13.40 H new ATOM 1414 N SER A 91 -3.978 -23.073 17.662 1.00 14.14 N ATOM 1415 CA SER A 91 -2.602 -23.301 17.206 1.00 12.11 C ATOM 1416 C SER A 91 -1.950 -21.994 16.726 1.00 14.33 C ATOM 1417 O SER A 91 -2.119 -21.586 15.574 1.00 52.23 O ATOM 1418 CB SER A 91 -2.579 -24.353 16.086 1.00 21.34 C ATOM 1419 OG SER A 91 -3.163 -25.577 16.518 1.00 34.43 O ATOM 0 H SER A 91 -4.690 -23.268 16.958 1.00 14.14 H new ATOM 0 HA SER A 91 -2.024 -23.673 18.052 1.00 12.11 H new ATOM 0 HB2 SER A 91 -3.119 -23.976 15.218 1.00 21.34 H new ATOM 0 HB3 SER A 91 -1.551 -24.529 15.770 1.00 21.34 H new ATOM 0 HG SER A 91 -3.137 -26.228 15.786 1.00 34.43 H new ATOM 1425 N TYR A 92 -1.213 -21.344 17.629 1.00 13.41 N ATOM 1426 CA TYR A 92 -0.539 -20.060 17.350 1.00 41.13 C ATOM 1427 C TYR A 92 0.316 -20.102 16.064 1.00 11.14 C ATOM 1428 O TYR A 92 0.517 -19.079 15.407 1.00 25.35 O ATOM 1429 CB TYR A 92 0.350 -19.672 18.543 1.00 4.03 C ATOM 1430 CG TYR A 92 1.480 -20.656 18.808 1.00 71.41 C ATOM 1431 CD1 TYR A 92 1.272 -21.795 19.582 1.00 23.14 C ATOM 1432 CD2 TYR A 92 2.749 -20.454 18.270 1.00 62.34 C ATOM 1433 CE1 TYR A 92 2.292 -22.699 19.811 1.00 15.41 C ATOM 1434 CE2 TYR A 92 3.773 -21.353 18.498 1.00 32.34 C ATOM 1435 CZ TYR A 92 3.538 -22.474 19.267 1.00 71.30 C ATOM 1436 OH TYR A 92 4.552 -23.380 19.482 1.00 71.41 O ATOM 0 H TYR A 92 -1.062 -21.688 18.577 1.00 13.41 H new ATOM 0 HA TYR A 92 -1.320 -19.315 17.197 1.00 41.13 H new ATOM 0 HB2 TYR A 92 0.775 -18.684 18.363 1.00 4.03 H new ATOM 0 HB3 TYR A 92 -0.269 -19.594 19.436 1.00 4.03 H new ATOM 0 HD1 TYR A 92 0.297 -21.975 20.011 1.00 23.14 H new ATOM 0 HD2 TYR A 92 2.936 -19.580 17.664 1.00 62.34 H new ATOM 0 HE1 TYR A 92 2.113 -23.577 20.413 1.00 15.41 H new ATOM 0 HE2 TYR A 92 4.752 -21.179 18.077 1.00 32.34 H new ATOM 0 HH TYR A 92 5.366 -23.074 19.029 1.00 71.41 H new ATOM 1446 N LYS A 93 0.813 -21.291 15.723 1.00 44.11 N ATOM 1447 CA LYS A 93 1.676 -21.491 14.545 1.00 75.30 C ATOM 1448 C LYS A 93 1.067 -20.904 13.256 1.00 43.45 C ATOM 1449 O LYS A 93 1.791 -20.490 12.346 1.00 34.15 O ATOM 1450 CB LYS A 93 1.952 -22.991 14.366 1.00 3.20 C ATOM 1451 CG LYS A 93 0.686 -23.834 14.217 1.00 32.54 C ATOM 1452 CD LYS A 93 0.983 -25.332 14.244 1.00 60.43 C ATOM 1453 CE LYS A 93 1.857 -25.771 13.074 1.00 2.01 C ATOM 1454 NZ LYS A 93 2.174 -27.223 13.137 1.00 43.34 N ATOM 0 H LYS A 93 0.633 -22.145 16.251 1.00 44.11 H new ATOM 0 HA LYS A 93 2.608 -20.955 14.724 1.00 75.30 H new ATOM 0 HB2 LYS A 93 2.579 -23.134 13.486 1.00 3.20 H new ATOM 0 HB3 LYS A 93 2.520 -23.352 15.224 1.00 3.20 H new ATOM 0 HG2 LYS A 93 -0.008 -23.589 15.021 1.00 32.54 H new ATOM 0 HG3 LYS A 93 0.191 -23.580 13.280 1.00 32.54 H new ATOM 0 HD2 LYS A 93 1.480 -25.585 15.181 1.00 60.43 H new ATOM 0 HD3 LYS A 93 0.045 -25.886 14.222 1.00 60.43 H new ATOM 0 HE2 LYS A 93 1.347 -25.550 12.136 1.00 2.01 H new ATOM 0 HE3 LYS A 93 2.783 -25.196 13.076 1.00 2.01 H new ATOM 0 HZ1 LYS A 93 2.770 -27.484 12.325 1.00 43.34 H new ATOM 0 HZ2 LYS A 93 2.683 -27.429 14.020 1.00 43.34 H new ATOM 0 HZ3 LYS A 93 1.291 -27.773 13.110 1.00 43.34 H new ATOM 1468 N LYS A 94 -0.263 -20.858 13.188 1.00 13.31 N ATOM 1469 CA LYS A 94 -0.964 -20.311 12.019 1.00 12.51 C ATOM 1470 C LYS A 94 -1.453 -18.876 12.282 1.00 13.43 C ATOM 1471 O LYS A 94 -2.549 -18.498 11.870 1.00 41.12 O ATOM 1472 CB LYS A 94 -2.154 -21.210 11.652 1.00 74.51 C ATOM 1473 CG LYS A 94 -1.768 -22.645 11.309 1.00 2.14 C ATOM 1474 CD LYS A 94 -2.947 -23.413 10.723 1.00 30.42 C ATOM 1475 CE LYS A 94 -2.582 -24.855 10.394 1.00 51.22 C ATOM 1476 NZ LYS A 94 -3.640 -25.516 9.586 1.00 34.41 N ATOM 0 H LYS A 94 -0.880 -21.193 13.928 1.00 13.31 H new ATOM 0 HA LYS A 94 -0.261 -20.282 11.187 1.00 12.51 H new ATOM 0 HB2 LYS A 94 -2.856 -21.223 12.486 1.00 74.51 H new ATOM 0 HB3 LYS A 94 -2.677 -20.773 10.802 1.00 74.51 H new ATOM 0 HG2 LYS A 94 -0.944 -22.641 10.596 1.00 2.14 H new ATOM 0 HG3 LYS A 94 -1.411 -23.152 12.206 1.00 2.14 H new ATOM 0 HD2 LYS A 94 -3.775 -23.401 11.431 1.00 30.42 H new ATOM 0 HD3 LYS A 94 -3.293 -22.911 9.819 1.00 30.42 H new ATOM 0 HE2 LYS A 94 -1.639 -24.877 9.848 1.00 51.22 H new ATOM 0 HE3 LYS A 94 -2.428 -25.412 11.318 1.00 51.22 H new ATOM 0 HZ1 LYS A 94 -3.462 -26.540 9.552 1.00 34.41 H new ATOM 0 HZ2 LYS A 94 -4.569 -25.340 10.020 1.00 34.41 H new ATOM 0 HZ3 LYS A 94 -3.631 -25.131 8.620 1.00 34.41 H new ATOM 1490 N CYS A 95 -0.627 -18.072 12.952 1.00 74.41 N ATOM 1491 CA CYS A 95 -0.988 -16.688 13.288 1.00 64.35 C ATOM 1492 C CYS A 95 -1.129 -15.824 12.030 1.00 61.44 C ATOM 1493 O CYS A 95 -1.973 -14.928 11.973 1.00 60.53 O ATOM 1494 CB CYS A 95 0.067 -16.070 14.213 1.00 35.20 C ATOM 1495 SG CYS A 95 1.715 -15.963 13.477 1.00 35.45 S ATOM 0 H CYS A 95 0.299 -18.353 13.275 1.00 74.41 H new ATOM 0 HA CYS A 95 -1.951 -16.716 13.798 1.00 64.35 H new ATOM 0 HB2 CYS A 95 -0.257 -15.070 14.501 1.00 35.20 H new ATOM 0 HB3 CYS A 95 0.126 -16.661 15.127 1.00 35.20 H new ATOM 0 HG CYS A 95 2.537 -15.427 14.330 1.00 35.45 H new ATOM 1501 N VAL A 96 -0.289 -16.096 11.029 1.00 4.25 N ATOM 1502 CA VAL A 96 -0.306 -15.339 9.773 1.00 43.11 C ATOM 1503 C VAL A 96 -0.908 -16.161 8.611 1.00 65.53 C ATOM 1504 O VAL A 96 -2.102 -16.063 8.330 1.00 74.14 O ATOM 1505 CB VAL A 96 1.118 -14.852 9.396 1.00 42.42 C ATOM 1506 CG1 VAL A 96 1.096 -13.976 8.142 1.00 61.30 C ATOM 1507 CG2 VAL A 96 1.756 -14.109 10.569 1.00 60.30 C ATOM 0 H VAL A 96 0.413 -16.836 11.063 1.00 4.25 H new ATOM 0 HA VAL A 96 -0.944 -14.471 9.937 1.00 43.11 H new ATOM 0 HB VAL A 96 1.724 -15.729 9.171 1.00 42.42 H new ATOM 0 HG11 VAL A 96 2.110 -13.652 7.906 1.00 61.30 H new ATOM 0 HG12 VAL A 96 0.694 -14.548 7.306 1.00 61.30 H new ATOM 0 HG13 VAL A 96 0.468 -13.103 8.319 1.00 61.30 H new ATOM 0 HG21 VAL A 96 2.754 -13.774 10.288 1.00 60.30 H new ATOM 0 HG22 VAL A 96 1.144 -13.246 10.829 1.00 60.30 H new ATOM 0 HG23 VAL A 96 1.826 -14.776 11.428 1.00 60.30 H new ATOM 1517 N LEU A 97 -0.079 -16.980 7.944 1.00 75.32 N ATOM 1518 CA LEU A 97 -0.523 -17.783 6.785 1.00 33.31 C ATOM 1519 C LEU A 97 0.294 -19.079 6.634 1.00 64.02 C ATOM 1520 O LEU A 97 1.396 -19.200 7.181 1.00 1.33 O ATOM 1521 CB LEU A 97 -0.404 -16.965 5.482 1.00 64.02 C ATOM 1522 CG LEU A 97 -1.452 -15.857 5.286 1.00 63.24 C ATOM 1523 CD1 LEU A 97 -1.153 -15.045 4.026 1.00 4.23 C ATOM 1524 CD2 LEU A 97 -2.856 -16.454 5.217 1.00 73.51 C ATOM 0 H LEU A 97 0.904 -17.106 8.185 1.00 75.32 H new ATOM 0 HA LEU A 97 -1.564 -18.048 6.967 1.00 33.31 H new ATOM 0 HB2 LEU A 97 0.586 -16.511 5.450 1.00 64.02 H new ATOM 0 HB3 LEU A 97 -0.467 -17.652 4.638 1.00 64.02 H new ATOM 0 HG LEU A 97 -1.403 -15.186 6.144 1.00 63.24 H new ATOM 0 HD11 LEU A 97 -1.907 -14.267 3.907 1.00 4.23 H new ATOM 0 HD12 LEU A 97 -0.168 -14.586 4.114 1.00 4.23 H new ATOM 0 HD13 LEU A 97 -1.170 -15.703 3.157 1.00 4.23 H new ATOM 0 HD21 LEU A 97 -3.585 -15.655 5.078 1.00 73.51 H new ATOM 0 HD22 LEU A 97 -2.915 -17.149 4.379 1.00 73.51 H new ATOM 0 HD23 LEU A 97 -3.072 -16.985 6.144 1.00 73.51 H new ATOM 1536 N GLU A 98 -0.257 -20.042 5.890 1.00 20.24 N ATOM 1537 CA GLU A 98 0.470 -21.266 5.521 1.00 71.12 C ATOM 1538 C GLU A 98 1.056 -21.138 4.101 1.00 3.24 C ATOM 1539 O GLU A 98 2.233 -21.428 3.874 1.00 21.13 O ATOM 1540 CB GLU A 98 -0.453 -22.496 5.606 1.00 23.15 C ATOM 1541 CG GLU A 98 -0.934 -22.815 7.020 1.00 73.04 C ATOM 1542 CD GLU A 98 -1.765 -24.091 7.092 1.00 62.14 C ATOM 1543 OE1 GLU A 98 -1.181 -25.194 6.999 1.00 34.24 O ATOM 1544 OE2 GLU A 98 -3.003 -24.002 7.261 1.00 52.03 O ATOM 0 H GLU A 98 -1.210 -19.999 5.528 1.00 20.24 H new ATOM 0 HA GLU A 98 1.289 -21.400 6.227 1.00 71.12 H new ATOM 0 HB2 GLU A 98 -1.320 -22.331 4.967 1.00 23.15 H new ATOM 0 HB3 GLU A 98 0.076 -23.362 5.209 1.00 23.15 H new ATOM 0 HG2 GLU A 98 -0.071 -22.912 7.678 1.00 73.04 H new ATOM 0 HG3 GLU A 98 -1.527 -21.980 7.393 1.00 73.04 H new ATOM 1551 N HIS A 99 0.212 -20.712 3.153 1.00 10.24 N ATOM 1552 CA HIS A 99 0.637 -20.422 1.771 1.00 44.45 C ATOM 1553 C HIS A 99 1.366 -21.620 1.121 1.00 3.44 C ATOM 1554 O HIS A 99 2.449 -21.469 0.559 1.00 45.43 O ATOM 1555 CB HIS A 99 1.528 -19.163 1.758 1.00 75.32 C ATOM 1556 CG HIS A 99 1.833 -18.630 0.384 1.00 23.32 C ATOM 1557 ND1 HIS A 99 0.940 -17.877 -0.346 1.00 5.12 N ATOM 1558 CD2 HIS A 99 2.943 -18.738 -0.391 1.00 10.42 C ATOM 1559 CE1 HIS A 99 1.481 -17.547 -1.502 1.00 72.23 C ATOM 1560 NE2 HIS A 99 2.694 -18.054 -1.557 1.00 34.33 N ATOM 0 H HIS A 99 -0.783 -20.558 3.318 1.00 10.24 H new ATOM 0 HA HIS A 99 -0.257 -20.239 1.174 1.00 44.45 H new ATOM 0 HB2 HIS A 99 1.038 -18.380 2.337 1.00 75.32 H new ATOM 0 HB3 HIS A 99 2.467 -19.392 2.262 1.00 75.32 H new ATOM 0 HD2 HIS A 99 3.852 -19.263 -0.138 1.00 10.42 H new ATOM 0 HE1 HIS A 99 1.008 -16.959 -2.275 1.00 72.23 H new ATOM 0 HE2 HIS A 99 3.343 -17.956 -2.337 1.00 34.33 H new ATOM 1569 N HIS A 100 0.767 -22.811 1.221 1.00 21.53 N ATOM 1570 CA HIS A 100 1.307 -24.039 0.592 1.00 24.34 C ATOM 1571 C HIS A 100 2.659 -24.500 1.181 1.00 41.31 C ATOM 1572 O HIS A 100 3.086 -25.628 0.935 1.00 12.22 O ATOM 1573 CB HIS A 100 1.458 -23.856 -0.929 1.00 21.43 C ATOM 1574 CG HIS A 100 0.160 -23.747 -1.667 1.00 30.43 C ATOM 1575 ND1 HIS A 100 -0.352 -24.768 -2.438 1.00 5.33 N ATOM 1576 CD2 HIS A 100 -0.721 -22.725 -1.771 1.00 61.42 C ATOM 1577 CE1 HIS A 100 -1.486 -24.382 -2.983 1.00 3.15 C ATOM 1578 NE2 HIS A 100 -1.732 -23.148 -2.595 1.00 43.10 N ATOM 0 H HIS A 100 -0.101 -22.960 1.735 1.00 21.53 H new ATOM 0 HA HIS A 100 0.577 -24.818 0.811 1.00 24.34 H new ATOM 0 HB2 HIS A 100 2.047 -22.959 -1.119 1.00 21.43 H new ATOM 0 HB3 HIS A 100 2.022 -24.698 -1.331 1.00 21.43 H new ATOM 0 HD2 HIS A 100 -0.643 -21.759 -1.295 1.00 61.42 H new ATOM 0 HE1 HIS A 100 -2.108 -24.976 -3.636 1.00 3.15 H new ATOM 0 HE2 HIS A 100 -2.545 -22.595 -2.865 1.00 43.10 H new ATOM 1587 N HIS A 101 3.327 -23.650 1.962 1.00 21.22 N ATOM 1588 CA HIS A 101 4.670 -23.973 2.467 1.00 22.31 C ATOM 1589 C HIS A 101 4.619 -25.006 3.607 1.00 31.44 C ATOM 1590 O HIS A 101 5.653 -25.397 4.148 1.00 31.05 O ATOM 1591 CB HIS A 101 5.388 -22.699 2.933 1.00 12.01 C ATOM 1592 CG HIS A 101 6.888 -22.816 2.929 1.00 2.42 C ATOM 1593 ND1 HIS A 101 7.595 -23.639 3.785 1.00 34.42 N ATOM 1594 CD2 HIS A 101 7.817 -22.212 2.150 1.00 53.33 C ATOM 1595 CE1 HIS A 101 8.883 -23.532 3.533 1.00 2.14 C ATOM 1596 NE2 HIS A 101 9.044 -22.676 2.548 1.00 5.34 N ATOM 0 H HIS A 101 2.969 -22.742 2.258 1.00 21.22 H new ATOM 0 HA HIS A 101 5.231 -24.417 1.645 1.00 22.31 H new ATOM 0 HB2 HIS A 101 5.095 -21.871 2.288 1.00 12.01 H new ATOM 0 HB3 HIS A 101 5.054 -22.452 3.941 1.00 12.01 H new ATOM 0 HD1 HIS A 101 7.183 -24.237 4.501 1.00 34.42 H new ATOM 0 HD2 HIS A 101 7.627 -21.498 1.362 1.00 53.33 H new ATOM 0 HE1 HIS A 101 9.673 -24.058 4.048 1.00 2.14 H new ATOM 1605 N HIS A 102 3.413 -25.432 3.977 1.00 65.24 N ATOM 1606 CA HIS A 102 3.236 -26.515 4.948 1.00 60.43 C ATOM 1607 C HIS A 102 3.917 -27.791 4.421 1.00 22.23 C ATOM 1608 O HIS A 102 3.365 -28.498 3.573 1.00 63.44 O ATOM 1609 CB HIS A 102 1.737 -26.751 5.182 1.00 44.44 C ATOM 1610 CG HIS A 102 1.416 -27.710 6.291 1.00 12.13 C ATOM 1611 ND1 HIS A 102 1.188 -29.053 6.085 1.00 54.14 N ATOM 1612 CD2 HIS A 102 1.254 -27.508 7.621 1.00 12.42 C ATOM 1613 CE1 HIS A 102 0.899 -29.633 7.231 1.00 34.22 C ATOM 1614 NE2 HIS A 102 0.930 -28.721 8.181 1.00 52.14 N ATOM 0 H HIS A 102 2.540 -25.044 3.619 1.00 65.24 H new ATOM 0 HA HIS A 102 3.696 -26.244 5.898 1.00 60.43 H new ATOM 0 HB2 HIS A 102 1.263 -25.794 5.400 1.00 44.44 H new ATOM 0 HB3 HIS A 102 1.294 -27.124 4.259 1.00 44.44 H new ATOM 0 HD2 HIS A 102 1.360 -26.569 8.144 1.00 12.42 H new ATOM 0 HE1 HIS A 102 0.674 -30.680 7.369 1.00 34.22 H new ATOM 0 HE2 HIS A 102 0.744 -28.888 9.170 1.00 52.14 H new ATOM 1623 N HIS A 103 5.127 -28.062 4.905 1.00 65.52 N ATOM 1624 CA HIS A 103 5.970 -29.120 4.337 1.00 3.22 C ATOM 1625 C HIS A 103 5.576 -30.522 4.826 1.00 14.14 C ATOM 1626 O HIS A 103 5.454 -30.768 6.025 1.00 71.41 O ATOM 1627 CB HIS A 103 7.448 -28.856 4.659 1.00 2.24 C ATOM 1628 CG HIS A 103 8.374 -29.890 4.087 1.00 0.44 C ATOM 1629 ND1 HIS A 103 8.617 -30.014 2.736 1.00 73.03 N ATOM 1630 CD2 HIS A 103 9.103 -30.864 4.686 1.00 63.02 C ATOM 1631 CE1 HIS A 103 9.450 -31.013 2.530 1.00 72.02 C ATOM 1632 NE2 HIS A 103 9.760 -31.543 3.691 1.00 63.22 N ATOM 0 H HIS A 103 5.549 -27.565 5.690 1.00 65.52 H new ATOM 0 HA HIS A 103 5.815 -29.097 3.258 1.00 3.22 H new ATOM 0 HB2 HIS A 103 7.727 -27.875 4.274 1.00 2.24 H new ATOM 0 HB3 HIS A 103 7.577 -28.822 5.741 1.00 2.24 H new ATOM 0 HD2 HIS A 103 9.156 -31.067 5.745 1.00 63.02 H new ATOM 0 HE1 HIS A 103 9.816 -31.341 1.568 1.00 72.02 H new ATOM 0 HE2 HIS A 103 10.389 -32.334 3.831 1.00 63.22 H new ATOM 1641 N HIS A 104 5.397 -31.437 3.876 1.00 35.24 N ATOM 1642 CA HIS A 104 5.131 -32.848 4.178 1.00 74.41 C ATOM 1643 C HIS A 104 6.110 -33.762 3.413 1.00 62.15 C ATOM 1644 O HIS A 104 7.070 -34.272 4.035 1.00 37.67 O ATOM 1645 CB HIS A 104 3.678 -33.203 3.821 1.00 42.30 C ATOM 1646 CG HIS A 104 3.361 -34.660 3.975 1.00 0.02 C ATOM 1647 ND1 HIS A 104 3.539 -35.574 2.961 1.00 60.33 N ATOM 1648 CD2 HIS A 104 2.897 -35.366 5.033 1.00 52.34 C ATOM 1649 CE1 HIS A 104 3.202 -36.773 3.383 1.00 63.42 C ATOM 1650 NE2 HIS A 104 2.810 -36.679 4.637 1.00 32.40 N ATOM 1651 OXT HIS A 104 5.913 -33.957 2.192 1.00 37.67 O ATOM 0 H HIS A 104 5.431 -31.226 2.879 1.00 35.24 H new ATOM 0 HA HIS A 104 5.278 -33.006 5.246 1.00 74.41 H new ATOM 0 HB2 HIS A 104 3.005 -32.625 4.454 1.00 42.30 H new ATOM 0 HB3 HIS A 104 3.482 -32.904 2.791 1.00 42.30 H new ATOM 0 HD2 HIS A 104 2.643 -34.971 6.006 1.00 52.34 H new ATOM 0 HE1 HIS A 104 3.240 -37.681 2.800 1.00 63.42 H new ATOM 0 HE2 HIS A 104 2.493 -37.454 5.219 1.00 32.40 H new TER 1660 HIS A 104