USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 890 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 34 THR OG1 : rot 104:sc= 0.474 USER MOD Set 1.2: A 38 CYS SG : rot -149:sc= 1.13 USER MOD Set 1.3: A 41 CYS SG : rot -117:sc= 0.26 USER MOD Set 2.1: A 9 CYS SG : rot -1:sc= -1.08 USER MOD Set 2.2: A 14 THR OG1 : rot 99:sc= 0.537 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0719 X(o=-0.072,f=-0.0043) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.416 K(o=-0.42,f=-1) USER MOD Single : A 59 THR OG1 : rot 177:sc= -0.497 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 145:sc= -0.218 (180deg=-0.509) USER MOD Single : A 82 THR OG1 : rot 38:sc= 0.891 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.806) USER MOD Single : A 95 THR OG1 : rot 170:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 76:sc= 0.33 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 112 THR OG1 : rot 94:sc= 0.227 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.199 9.204 16.979 1.00 0.00 N ATOM 2 CA ALA A 1 -11.976 8.672 16.388 1.00 0.00 C ATOM 3 C ALA A 1 -12.272 7.965 15.069 1.00 0.00 C ATOM 4 O ALA A 1 -13.116 7.098 15.032 1.00 0.00 O ATOM 5 CB ALA A 1 -11.318 7.667 17.341 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.973 9.680 17.875 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.633 9.886 16.324 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.865 8.426 17.159 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.305 9.511 16.208 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.407 7.278 16.887 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.073 8.163 18.280 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.007 6.844 17.534 1.00 0.00 H new ATOM 12 N GLU A 2 -11.575 8.437 14.017 1.00 0.00 N ATOM 13 CA GLU A 2 -11.691 8.039 12.611 1.00 0.00 C ATOM 14 C GLU A 2 -10.267 8.214 11.971 1.00 0.00 C ATOM 15 O GLU A 2 -9.686 9.317 11.949 1.00 0.00 O ATOM 16 CB GLU A 2 -12.698 8.936 11.926 1.00 0.00 C ATOM 17 CG GLU A 2 -12.890 8.517 10.458 1.00 0.00 C ATOM 18 CD GLU A 2 -14.152 9.156 9.939 1.00 0.00 C ATOM 19 OE1 GLU A 2 -15.219 8.574 9.885 1.00 0.00 O ATOM 20 OE2 GLU A 2 -14.015 10.458 9.531 1.00 0.00 O ATOM 0 H GLU A 2 -10.866 9.159 14.143 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.029 7.008 12.506 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.652 8.887 12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.361 9.972 11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.034 8.829 9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.955 7.432 10.379 1.00 0.00 H new ATOM 28 N GLU A 3 -9.732 7.105 11.410 1.00 0.00 N ATOM 29 CA GLU A 3 -8.365 7.042 10.856 1.00 0.00 C ATOM 30 C GLU A 3 -8.249 5.875 9.843 1.00 0.00 C ATOM 31 O GLU A 3 -9.080 4.938 9.792 1.00 0.00 O ATOM 32 CB GLU A 3 -7.274 6.951 11.952 1.00 0.00 C ATOM 33 CG GLU A 3 -7.424 5.711 12.895 1.00 0.00 C ATOM 34 CD GLU A 3 -6.302 5.483 13.845 1.00 0.00 C ATOM 35 OE1 GLU A 3 -6.231 5.993 14.951 1.00 0.00 O ATOM 36 OE2 GLU A 3 -5.294 4.805 13.232 1.00 0.00 O ATOM 0 H GLU A 3 -10.242 6.225 11.330 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.186 7.981 10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.295 6.915 11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.302 7.859 12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.344 5.823 13.468 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.540 4.820 12.278 1.00 0.00 H new ATOM 44 N GLY A 4 -7.264 6.054 8.975 1.00 0.00 N ATOM 45 CA GLY A 4 -6.689 4.932 8.246 1.00 0.00 C ATOM 46 C GLY A 4 -6.008 3.800 9.071 1.00 0.00 C ATOM 47 O GLY A 4 -5.646 4.040 10.238 1.00 0.00 O ATOM 0 H GLY A 4 -6.848 6.960 8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.481 4.480 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.951 5.329 7.549 1.00 0.00 H new ATOM 51 N GLN A 5 -5.840 2.583 8.454 1.00 0.00 N ATOM 52 CA GLN A 5 -5.451 1.360 9.191 1.00 0.00 C ATOM 53 C GLN A 5 -4.752 0.401 8.175 1.00 0.00 C ATOM 54 O GLN A 5 -5.251 0.147 7.060 1.00 0.00 O ATOM 55 CB GLN A 5 -6.704 0.758 9.883 1.00 0.00 C ATOM 56 CG GLN A 5 -7.672 0.128 8.859 1.00 0.00 C ATOM 57 CD GLN A 5 -8.948 -0.330 9.445 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.046 -1.229 10.299 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.040 0.308 9.143 1.00 0.00 N ATOM 0 H GLN A 5 -5.971 2.438 7.453 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.741 1.560 9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.394 0.002 10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.222 1.538 10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.884 0.858 8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.179 -0.718 8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.019 1.055 8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.918 0.061 9.600 1.00 0.00 H new ATOM 68 N VAL A 6 -3.601 0.006 8.685 1.00 0.00 N ATOM 69 CA VAL A 6 -2.693 -1.016 8.070 1.00 0.00 C ATOM 70 C VAL A 6 -3.229 -2.447 8.537 1.00 0.00 C ATOM 71 O VAL A 6 -3.405 -2.762 9.721 1.00 0.00 O ATOM 72 CB VAL A 6 -1.146 -0.688 8.527 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.228 -1.604 7.749 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.847 0.781 8.125 1.00 0.00 C ATOM 0 H VAL A 6 -3.238 0.381 9.561 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.691 -1.000 6.980 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.003 -0.832 9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.806 -1.409 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.475 -2.642 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.352 -1.423 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.173 1.037 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.959 0.893 7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.545 1.447 8.633 1.00 0.00 H new ATOM 84 N ILE A 7 -3.346 -3.272 7.521 1.00 0.00 N ATOM 85 CA ILE A 7 -3.892 -4.610 7.460 1.00 0.00 C ATOM 86 C ILE A 7 -2.827 -5.445 6.646 1.00 0.00 C ATOM 87 O ILE A 7 -2.418 -5.114 5.506 1.00 0.00 O ATOM 88 CB ILE A 7 -5.406 -4.615 7.076 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.240 -5.697 7.878 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.833 -4.566 5.624 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.115 -7.133 7.265 1.00 0.00 C ATOM 0 H ILE A 7 -3.018 -2.982 6.600 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.001 -5.130 8.412 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.657 -3.605 7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.900 -5.718 8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.289 -5.403 7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.921 -4.578 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.454 -3.653 5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.431 -5.432 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.707 -7.833 7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.481 -7.123 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.070 -7.443 7.275 1.00 0.00 H new ATOM 103 N ALA A 8 -2.285 -6.486 7.345 1.00 0.00 N ATOM 104 CA ALA A 8 -1.559 -7.601 6.723 1.00 0.00 C ATOM 105 C ALA A 8 -2.466 -8.527 5.709 1.00 0.00 C ATOM 106 O ALA A 8 -3.553 -8.953 5.952 1.00 0.00 O ATOM 107 CB ALA A 8 -1.093 -8.449 7.966 1.00 0.00 C ATOM 0 H ALA A 8 -2.348 -6.562 8.360 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.756 -7.235 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.533 -9.319 7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.457 -7.837 8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.966 -8.778 8.530 1.00 0.00 H new ATOM 113 N CYS A 9 -1.753 -8.783 4.574 1.00 0.00 N ATOM 114 CA CYS A 9 -2.125 -9.541 3.349 1.00 0.00 C ATOM 115 C CYS A 9 -1.061 -10.670 2.923 1.00 0.00 C ATOM 116 O CYS A 9 0.175 -10.561 2.959 1.00 0.00 O ATOM 117 CB CYS A 9 -2.262 -8.556 2.218 1.00 0.00 C ATOM 118 SG CYS A 9 -3.574 -7.398 2.684 1.00 0.00 S ATOM 0 H CYS A 9 -0.802 -8.423 4.489 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.056 -10.065 3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.323 -8.028 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.511 -9.068 1.288 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.056 -7.732 3.844 1.00 0.00 H new ATOM 124 N HIS A 10 -1.751 -11.773 2.536 1.00 0.00 N ATOM 125 CA HIS A 10 -1.140 -13.165 2.471 1.00 0.00 C ATOM 126 C HIS A 10 -1.434 -13.983 1.173 1.00 0.00 C ATOM 127 O HIS A 10 -0.600 -14.765 0.621 1.00 0.00 O ATOM 128 CB HIS A 10 -1.658 -13.913 3.780 1.00 0.00 C ATOM 129 CG HIS A 10 -1.304 -13.460 5.187 1.00 0.00 C ATOM 130 ND1 HIS A 10 -2.211 -13.860 6.214 1.00 0.00 N ATOM 131 CD2 HIS A 10 -0.088 -12.957 5.735 1.00 0.00 C ATOM 132 CE1 HIS A 10 -1.419 -13.391 7.293 1.00 0.00 C ATOM 133 NE2 HIS A 10 -0.225 -12.815 7.057 1.00 0.00 N ATOM 0 H HIS A 10 -2.733 -11.746 2.260 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.055 -13.072 2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.746 -13.920 3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.328 -14.948 3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.804 -12.727 5.171 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.775 -13.496 8.307 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.415 -12.379 7.721 1.00 0.00 H new ATOM 141 N THR A 11 -2.691 -13.966 0.846 1.00 0.00 N ATOM 142 CA THR A 11 -3.274 -14.996 -0.014 1.00 0.00 C ATOM 143 C THR A 11 -4.389 -14.454 -0.913 1.00 0.00 C ATOM 144 O THR A 11 -4.559 -13.237 -0.942 1.00 0.00 O ATOM 145 CB THR A 11 -3.877 -16.116 0.936 1.00 0.00 C ATOM 146 OG1 THR A 11 -5.045 -15.577 1.592 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.031 -16.851 1.993 1.00 0.00 C ATOM 0 H THR A 11 -3.351 -13.252 1.155 1.00 0.00 H new ATOM 0 HA THR A 11 -2.495 -15.383 -0.672 1.00 0.00 H new ATOM 0 HB THR A 11 -4.037 -16.917 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.432 -16.257 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.655 -17.572 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.210 -17.373 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.629 -16.129 2.704 1.00 0.00 H new ATOM 155 N VAL A 12 -5.157 -15.284 -1.596 1.00 0.00 N ATOM 156 CA VAL A 12 -6.398 -14.963 -2.360 1.00 0.00 C ATOM 157 C VAL A 12 -7.604 -14.150 -1.723 1.00 0.00 C ATOM 158 O VAL A 12 -8.452 -13.479 -2.358 1.00 0.00 O ATOM 159 CB VAL A 12 -6.853 -16.170 -3.247 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.498 -17.286 -2.433 1.00 0.00 C ATOM 161 CG2 VAL A 12 -7.869 -15.933 -4.363 1.00 0.00 C ATOM 0 H VAL A 12 -4.933 -16.278 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.018 -14.138 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.888 -16.405 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.794 -18.097 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.784 -17.661 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.378 -16.899 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.071 -16.873 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.794 -15.546 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.467 -15.211 -5.074 1.00 0.00 H new ATOM 171 N ASP A 13 -7.541 -14.064 -0.383 1.00 0.00 N ATOM 172 CA ASP A 13 -8.232 -13.076 0.445 1.00 0.00 C ATOM 173 C ASP A 13 -7.821 -11.574 0.145 1.00 0.00 C ATOM 174 O ASP A 13 -8.737 -10.765 0.037 1.00 0.00 O ATOM 175 CB ASP A 13 -8.188 -13.239 2.017 1.00 0.00 C ATOM 176 CG ASP A 13 -9.205 -14.224 2.528 1.00 0.00 C ATOM 177 OD1 ASP A 13 -9.440 -15.349 2.161 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.932 -13.715 3.509 1.00 0.00 O ATOM 0 H ASP A 13 -6.981 -14.712 0.171 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.249 -13.302 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.192 -13.564 2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.361 -12.269 2.484 1.00 0.00 H new ATOM 184 N THR A 14 -6.541 -11.247 0.060 1.00 0.00 N ATOM 185 CA THR A 14 -6.154 -9.941 -0.548 1.00 0.00 C ATOM 186 C THR A 14 -6.748 -9.614 -1.911 1.00 0.00 C ATOM 187 O THR A 14 -7.065 -8.443 -2.075 1.00 0.00 O ATOM 188 CB THR A 14 -4.638 -9.630 -0.555 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.381 -8.234 -0.510 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.791 -10.195 -1.717 1.00 0.00 C ATOM 0 H THR A 14 -5.766 -11.826 0.383 1.00 0.00 H new ATOM 0 HA THR A 14 -6.634 -9.273 0.167 1.00 0.00 H new ATOM 0 HB THR A 14 -4.323 -10.154 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.163 -7.971 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.751 -9.896 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.858 -11.283 -1.721 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.166 -9.805 -2.663 1.00 0.00 H new ATOM 198 N TRP A 15 -6.975 -10.586 -2.830 1.00 0.00 N ATOM 199 CA TRP A 15 -7.857 -10.435 -4.011 1.00 0.00 C ATOM 200 C TRP A 15 -9.330 -9.840 -3.735 1.00 0.00 C ATOM 201 O TRP A 15 -9.669 -8.733 -4.176 1.00 0.00 O ATOM 202 CB TRP A 15 -7.745 -11.701 -4.932 1.00 0.00 C ATOM 203 CG TRP A 15 -6.731 -11.646 -6.042 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.404 -12.168 -6.145 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.868 -10.795 -7.121 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.773 -11.738 -7.398 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.733 -10.913 -7.965 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.973 -9.875 -7.443 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.692 -10.182 -9.244 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.856 -9.143 -8.607 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.783 -9.363 -9.514 1.00 0.00 C ATOM 0 H TRP A 15 -6.544 -11.508 -2.769 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.475 -9.601 -4.600 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.513 -12.560 -4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.724 -11.886 -5.375 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.931 -12.793 -5.402 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.853 -11.985 -7.763 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.834 -9.778 -6.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.864 -10.277 -9.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.594 -8.388 -8.834 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.818 -8.864 -10.471 1.00 0.00 H new ATOM 222 N LYS A 16 -10.086 -10.497 -2.830 1.00 0.00 N ATOM 223 CA LYS A 16 -11.302 -9.860 -2.198 1.00 0.00 C ATOM 224 C LYS A 16 -11.140 -8.483 -1.446 1.00 0.00 C ATOM 225 O LYS A 16 -12.066 -7.627 -1.548 1.00 0.00 O ATOM 226 CB LYS A 16 -12.064 -10.829 -1.297 1.00 0.00 C ATOM 227 CG LYS A 16 -12.708 -11.999 -2.125 1.00 0.00 C ATOM 228 CD LYS A 16 -13.256 -13.126 -1.217 1.00 0.00 C ATOM 229 CE LYS A 16 -12.221 -13.995 -0.581 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.632 -15.203 0.234 1.00 0.00 N ATOM 0 H LYS A 16 -9.897 -11.448 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.867 -9.607 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.387 -11.241 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.844 -10.290 -0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.517 -11.604 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.964 -12.413 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.860 -12.674 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.921 -13.755 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.565 -14.350 -1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.619 -13.358 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.783 -15.683 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.224 -14.898 1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.172 -15.859 -0.366 1.00 0.00 H new ATOM 243 N GLU A 17 -10.051 -8.233 -0.656 1.00 0.00 N ATOM 244 CA GLU A 17 -9.745 -7.011 0.148 1.00 0.00 C ATOM 245 C GLU A 17 -9.310 -5.712 -0.630 1.00 0.00 C ATOM 246 O GLU A 17 -10.063 -4.722 -0.642 1.00 0.00 O ATOM 247 CB GLU A 17 -8.814 -7.376 1.386 1.00 0.00 C ATOM 248 CG GLU A 17 -9.303 -8.350 2.495 1.00 0.00 C ATOM 249 CD GLU A 17 -8.238 -8.586 3.660 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.768 -9.694 3.821 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.631 -7.451 4.145 1.00 0.00 O ATOM 0 H GLU A 17 -9.313 -8.931 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.714 -6.682 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.891 -7.791 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.553 -6.438 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.223 -7.958 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.549 -9.310 2.040 1.00 0.00 H new ATOM 259 N HIS A 18 -8.182 -5.840 -1.340 1.00 0.00 N ATOM 260 CA HIS A 18 -7.550 -4.853 -2.214 1.00 0.00 C ATOM 261 C HIS A 18 -8.471 -4.354 -3.368 1.00 0.00 C ATOM 262 O HIS A 18 -8.863 -3.158 -3.348 1.00 0.00 O ATOM 263 CB HIS A 18 -6.197 -5.408 -2.783 1.00 0.00 C ATOM 264 CG HIS A 18 -5.372 -4.567 -3.838 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.744 -4.139 -5.084 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.981 -4.364 -3.681 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.538 -3.693 -5.550 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.420 -3.768 -4.756 1.00 0.00 N ATOM 0 H HIS A 18 -7.647 -6.708 -1.313 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.352 -3.980 -1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.541 -5.593 -1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.410 -6.376 -3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.428 -4.653 -2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.465 -3.281 -6.545 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.461 -3.466 -4.926 1.00 0.00 H new ATOM 276 N PHE A 19 -8.920 -5.314 -4.257 1.00 0.00 N ATOM 277 CA PHE A 19 -9.850 -5.030 -5.419 1.00 0.00 C ATOM 278 C PHE A 19 -11.193 -4.378 -5.091 1.00 0.00 C ATOM 279 O PHE A 19 -11.416 -3.267 -5.483 1.00 0.00 O ATOM 280 CB PHE A 19 -9.814 -6.169 -6.382 1.00 0.00 C ATOM 281 CG PHE A 19 -10.235 -5.861 -7.852 1.00 0.00 C ATOM 282 CD1 PHE A 19 -9.356 -5.179 -8.715 1.00 0.00 C ATOM 283 CD2 PHE A 19 -11.500 -6.193 -8.370 1.00 0.00 C ATOM 284 CE1 PHE A 19 -9.660 -4.867 -10.018 1.00 0.00 C ATOM 285 CE2 PHE A 19 -11.833 -6.023 -9.719 1.00 0.00 C ATOM 286 CZ PHE A 19 -10.886 -5.392 -10.514 1.00 0.00 C ATOM 0 H PHE A 19 -8.650 -6.295 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.457 -4.174 -5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.801 -6.570 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.464 -6.957 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.390 -4.885 -8.332 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.245 -6.596 -7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.008 -4.260 -10.629 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.776 -6.364 -10.120 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.092 -5.294 -11.570 1.00 0.00 H new ATOM 296 N GLU A 20 -12.025 -5.015 -4.256 1.00 0.00 N ATOM 297 CA GLU A 20 -13.306 -4.508 -3.732 1.00 0.00 C ATOM 298 C GLU A 20 -13.213 -3.128 -2.931 1.00 0.00 C ATOM 299 O GLU A 20 -14.092 -2.257 -3.160 1.00 0.00 O ATOM 300 CB GLU A 20 -14.106 -5.635 -3.099 1.00 0.00 C ATOM 301 CG GLU A 20 -14.298 -7.034 -3.779 1.00 0.00 C ATOM 302 CD GLU A 20 -15.154 -6.945 -5.087 1.00 0.00 C ATOM 303 OE1 GLU A 20 -14.996 -6.121 -5.974 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.021 -8.030 -5.231 1.00 0.00 O ATOM 0 H GLU A 20 -11.813 -5.950 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.909 -4.174 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.656 -5.824 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.106 -5.240 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.322 -7.458 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.781 -7.714 -3.077 1.00 0.00 H new ATOM 312 N LYS A 21 -12.221 -2.914 -2.011 1.00 0.00 N ATOM 313 CA LYS A 21 -11.867 -1.587 -1.463 1.00 0.00 C ATOM 314 C LYS A 21 -11.465 -0.477 -2.516 1.00 0.00 C ATOM 315 O LYS A 21 -12.192 0.495 -2.720 1.00 0.00 O ATOM 316 CB LYS A 21 -10.876 -1.654 -0.211 1.00 0.00 C ATOM 317 CG LYS A 21 -11.266 -2.500 1.025 1.00 0.00 C ATOM 318 CD LYS A 21 -12.226 -1.881 2.041 1.00 0.00 C ATOM 319 CE LYS A 21 -12.885 -2.875 2.955 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.956 -3.581 3.865 1.00 0.00 N ATOM 0 H LYS A 21 -11.648 -3.669 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.823 -1.229 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.918 -2.027 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.712 -0.632 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.710 -3.429 0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.349 -2.767 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.680 -1.157 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.999 -1.331 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.636 -2.358 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.412 -3.613 2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.491 -4.246 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.253 -4.105 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.471 -2.889 4.471 1.00 0.00 H new ATOM 333 N GLY A 22 -10.386 -0.676 -3.284 1.00 0.00 N ATOM 334 CA GLY A 22 -9.856 0.219 -4.325 1.00 0.00 C ATOM 335 C GLY A 22 -10.871 0.674 -5.433 1.00 0.00 C ATOM 336 O GLY A 22 -11.321 1.793 -5.469 1.00 0.00 O ATOM 0 H GLY A 22 -9.822 -1.521 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.457 1.110 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.019 -0.281 -4.812 1.00 0.00 H new ATOM 340 N LYS A 23 -11.014 -0.195 -6.461 1.00 0.00 N ATOM 341 CA LYS A 23 -12.186 -0.216 -7.379 1.00 0.00 C ATOM 342 C LYS A 23 -13.513 -0.720 -6.673 1.00 0.00 C ATOM 343 O LYS A 23 -13.938 -1.898 -6.662 1.00 0.00 O ATOM 344 CB LYS A 23 -11.978 -0.997 -8.685 1.00 0.00 C ATOM 345 CG LYS A 23 -13.062 -0.714 -9.723 1.00 0.00 C ATOM 346 CD LYS A 23 -13.217 -1.905 -10.729 1.00 0.00 C ATOM 347 CE LYS A 23 -11.989 -2.162 -11.652 1.00 0.00 C ATOM 348 NZ LYS A 23 -11.650 -1.128 -12.662 1.00 0.00 N ATOM 0 H LYS A 23 -10.318 -0.907 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.297 0.833 -7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.005 -0.742 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.961 -2.065 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.012 -0.536 -9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.815 0.196 -10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.421 -2.813 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.089 -1.718 -11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.116 -2.306 -11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.157 -3.101 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.815 -1.431 -13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.453 -0.999 -13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.444 -0.228 -12.182 1.00 0.00 H new ATOM 361 N GLY A 24 -14.178 0.312 -6.046 1.00 0.00 N ATOM 362 CA GLY A 24 -15.604 0.227 -5.649 1.00 0.00 C ATOM 363 C GLY A 24 -16.105 1.131 -4.538 1.00 0.00 C ATOM 364 O GLY A 24 -17.170 1.709 -4.594 1.00 0.00 O ATOM 0 H GLY A 24 -13.738 1.202 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.206 0.427 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.804 -0.803 -5.353 1.00 0.00 H new ATOM 368 N SER A 25 -15.281 1.059 -3.529 1.00 0.00 N ATOM 369 CA SER A 25 -15.464 1.828 -2.252 1.00 0.00 C ATOM 370 C SER A 25 -14.878 3.284 -2.489 1.00 0.00 C ATOM 371 O SER A 25 -13.813 3.432 -3.031 1.00 0.00 O ATOM 372 CB SER A 25 -15.106 1.158 -0.978 1.00 0.00 C ATOM 373 OG SER A 25 -16.029 0.186 -0.583 1.00 0.00 O ATOM 0 H SER A 25 -14.447 0.471 -3.534 1.00 0.00 H new ATOM 0 HA SER A 25 -16.532 1.896 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.125 0.695 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.022 1.909 -0.192 1.00 0.00 H new ATOM 0 HG SER A 25 -15.737 -0.219 0.260 1.00 0.00 H new ATOM 379 N GLN A 26 -15.630 4.303 -2.061 1.00 0.00 N ATOM 380 CA GLN A 26 -15.274 5.752 -2.058 1.00 0.00 C ATOM 381 C GLN A 26 -14.015 6.038 -1.149 1.00 0.00 C ATOM 382 O GLN A 26 -14.218 6.700 -0.130 1.00 0.00 O ATOM 383 CB GLN A 26 -16.617 6.524 -1.842 1.00 0.00 C ATOM 384 CG GLN A 26 -17.531 6.596 -3.079 1.00 0.00 C ATOM 385 CD GLN A 26 -18.284 5.355 -3.584 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.030 4.710 -2.834 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.008 5.033 -4.794 1.00 0.00 N ATOM 0 H GLN A 26 -16.563 4.144 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.879 6.143 -2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.166 6.047 -1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.387 7.539 -1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -18.279 7.363 -2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.920 6.956 -3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.383 5.619 -5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.414 4.191 -5.203 1.00 0.00 H new ATOM 396 N LYS A 27 -12.827 5.611 -1.555 1.00 0.00 N ATOM 397 CA LYS A 27 -11.592 5.729 -0.824 1.00 0.00 C ATOM 398 C LYS A 27 -10.357 5.496 -1.753 1.00 0.00 C ATOM 399 O LYS A 27 -10.418 4.943 -2.872 1.00 0.00 O ATOM 400 CB LYS A 27 -11.586 4.754 0.410 1.00 0.00 C ATOM 401 CG LYS A 27 -11.561 3.267 0.235 1.00 0.00 C ATOM 402 CD LYS A 27 -11.787 2.473 1.504 1.00 0.00 C ATOM 403 CE LYS A 27 -13.155 2.777 2.221 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.502 1.911 3.382 1.00 0.00 N ATOM 0 H LYS A 27 -12.702 5.148 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.516 6.748 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.718 5.016 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.471 4.988 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.324 2.988 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.598 2.982 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.742 1.410 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.972 2.679 2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.140 3.813 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.953 2.695 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.421 2.204 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.558 0.920 3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.770 2.003 4.115 1.00 0.00 H new ATOM 417 N LEU A 28 -9.275 6.039 -1.193 1.00 0.00 N ATOM 418 CA LEU A 28 -7.876 5.750 -1.540 1.00 0.00 C ATOM 419 C LEU A 28 -7.442 4.508 -0.708 1.00 0.00 C ATOM 420 O LEU A 28 -7.883 4.219 0.392 1.00 0.00 O ATOM 421 CB LEU A 28 -7.084 7.096 -1.259 1.00 0.00 C ATOM 422 CG LEU A 28 -5.625 7.136 -1.812 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.543 6.982 -3.325 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.975 8.486 -1.418 1.00 0.00 C ATOM 0 H LEU A 28 -9.351 6.729 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.686 5.479 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.643 7.925 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.052 7.262 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.099 6.288 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.500 7.019 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.976 6.025 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.095 7.791 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.955 8.524 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.553 9.306 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.960 8.579 -0.332 1.00 0.00 H new ATOM 436 N ILE A 29 -6.530 3.748 -1.323 1.00 0.00 N ATOM 437 CA ILE A 29 -5.938 2.443 -0.812 1.00 0.00 C ATOM 438 C ILE A 29 -4.500 2.595 -1.306 1.00 0.00 C ATOM 439 O ILE A 29 -4.258 2.936 -2.510 1.00 0.00 O ATOM 440 CB ILE A 29 -6.643 1.100 -1.190 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.282 0.450 -2.560 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.197 1.113 -1.017 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.429 -1.082 -2.616 1.00 0.00 C ATOM 0 H ILE A 29 -6.148 4.010 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.059 2.326 0.265 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.196 0.454 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.916 0.889 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.253 0.710 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.603 0.142 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.445 1.319 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.627 1.887 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.155 -1.438 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.774 -1.538 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.463 -1.356 -2.405 1.00 0.00 H new ATOM 455 N VAL A 30 -3.523 2.440 -0.385 1.00 0.00 N ATOM 456 CA VAL A 30 -2.061 2.753 -0.519 1.00 0.00 C ATOM 457 C VAL A 30 -1.385 1.441 0.104 1.00 0.00 C ATOM 458 O VAL A 30 -1.550 1.027 1.267 1.00 0.00 O ATOM 459 CB VAL A 30 -1.469 4.080 0.100 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.070 4.148 0.113 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.108 5.352 -0.580 1.00 0.00 C ATOM 0 H VAL A 30 -3.738 2.068 0.540 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.848 2.978 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.752 4.067 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.389 5.092 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.466 3.320 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.446 4.080 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.684 6.253 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.895 5.339 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.187 5.344 -0.425 1.00 0.00 H new ATOM 471 N VAL A 31 -0.609 0.716 -0.737 1.00 0.00 N ATOM 472 CA VAL A 31 -0.281 -0.761 -0.599 1.00 0.00 C ATOM 473 C VAL A 31 1.287 -1.024 -0.928 1.00 0.00 C ATOM 474 O VAL A 31 1.698 -0.933 -2.086 1.00 0.00 O ATOM 475 CB VAL A 31 -1.230 -1.685 -1.434 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.556 -1.240 -2.860 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.695 -3.137 -1.343 1.00 0.00 C ATOM 0 H VAL A 31 -0.173 1.135 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.462 -1.037 0.440 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.217 -1.611 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.221 -1.968 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.045 -0.266 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.635 -1.169 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.342 -3.800 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.317 -3.178 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.684 -3.456 -0.301 1.00 0.00 H new ATOM 487 N ASP A 32 1.938 -1.346 0.193 1.00 0.00 N ATOM 488 CA ASP A 32 3.346 -1.852 0.305 1.00 0.00 C ATOM 489 C ASP A 32 3.460 -3.374 -0.194 1.00 0.00 C ATOM 490 O ASP A 32 2.561 -4.201 -0.039 1.00 0.00 O ATOM 491 CB ASP A 32 3.939 -1.510 1.694 1.00 0.00 C ATOM 492 CG ASP A 32 5.533 -1.327 1.650 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.283 -1.732 2.575 1.00 0.00 O ATOM 494 OD2 ASP A 32 5.987 -0.608 0.530 1.00 0.00 O ATOM 0 H ASP A 32 1.491 -1.263 1.106 1.00 0.00 H new ATOM 0 HA ASP A 32 4.002 -1.324 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.481 -0.594 2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.686 -2.302 2.399 1.00 0.00 H new ATOM 500 N PHE A 33 4.595 -3.655 -0.731 1.00 0.00 N ATOM 501 CA PHE A 33 4.916 -4.888 -1.427 1.00 0.00 C ATOM 502 C PHE A 33 6.420 -5.004 -0.941 1.00 0.00 C ATOM 503 O PHE A 33 7.328 -4.177 -1.286 1.00 0.00 O ATOM 504 CB PHE A 33 4.641 -4.910 -2.915 1.00 0.00 C ATOM 505 CG PHE A 33 3.222 -4.897 -3.324 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.595 -6.125 -3.528 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.517 -3.732 -3.690 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.268 -6.211 -3.947 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.275 -3.871 -4.280 1.00 0.00 C ATOM 510 CZ PHE A 33 0.574 -5.056 -4.236 1.00 0.00 C ATOM 0 H PHE A 33 5.380 -3.005 -0.704 1.00 0.00 H new ATOM 0 HA PHE A 33 4.294 -5.755 -1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.134 -4.048 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.109 -5.800 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.152 -7.034 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.938 -2.753 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.788 -7.174 -4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.841 -3.025 -4.791 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.489 -5.079 -4.423 1.00 0.00 H new ATOM 520 N THR A 34 6.645 -5.933 0.022 1.00 0.00 N ATOM 521 CA THR A 34 7.876 -5.998 0.795 1.00 0.00 C ATOM 522 C THR A 34 7.931 -7.525 1.111 1.00 0.00 C ATOM 523 O THR A 34 7.024 -8.350 1.445 1.00 0.00 O ATOM 524 CB THR A 34 7.806 -5.173 2.136 1.00 0.00 C ATOM 525 OG1 THR A 34 8.896 -5.494 2.915 1.00 0.00 O ATOM 526 CG2 THR A 34 6.592 -5.453 2.919 1.00 0.00 C ATOM 0 H THR A 34 5.966 -6.652 0.272 1.00 0.00 H new ATOM 0 HA THR A 34 8.737 -5.585 0.269 1.00 0.00 H new ATOM 0 HB THR A 34 7.794 -4.118 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.553 -4.768 2.874 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.601 -4.855 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.712 -5.200 2.328 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.563 -6.511 3.179 1.00 0.00 H new ATOM 534 N ALA A 35 9.174 -7.908 1.126 1.00 0.00 N ATOM 535 CA ALA A 35 9.734 -9.140 1.608 1.00 0.00 C ATOM 536 C ALA A 35 9.835 -9.185 3.135 1.00 0.00 C ATOM 537 O ALA A 35 10.196 -8.217 3.779 1.00 0.00 O ATOM 538 CB ALA A 35 11.123 -9.257 0.980 1.00 0.00 C ATOM 0 H ALA A 35 9.903 -7.296 0.759 1.00 0.00 H new ATOM 0 HA ALA A 35 9.087 -9.972 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.597 -10.180 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.031 -9.268 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.733 -8.406 1.284 1.00 0.00 H new ATOM 544 N SER A 36 9.618 -10.461 3.646 1.00 0.00 N ATOM 545 CA SER A 36 10.073 -10.831 5.064 1.00 0.00 C ATOM 546 C SER A 36 11.587 -10.561 5.341 1.00 0.00 C ATOM 547 O SER A 36 11.733 -9.852 6.357 1.00 0.00 O ATOM 548 CB SER A 36 9.632 -12.221 5.410 1.00 0.00 C ATOM 549 OG SER A 36 9.914 -12.474 6.850 1.00 0.00 O ATOM 0 H SER A 36 9.158 -11.215 3.135 1.00 0.00 H new ATOM 0 HA SER A 36 9.571 -10.149 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.567 -12.340 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.157 -12.948 4.790 1.00 0.00 H new ATOM 0 HG SER A 36 9.627 -13.381 7.085 1.00 0.00 H new ATOM 555 N TRP A 37 12.504 -11.004 4.470 1.00 0.00 N ATOM 556 CA TRP A 37 13.878 -10.505 4.305 1.00 0.00 C ATOM 557 C TRP A 37 14.023 -8.914 3.917 1.00 0.00 C ATOM 558 O TRP A 37 14.260 -8.674 2.772 1.00 0.00 O ATOM 559 CB TRP A 37 14.559 -11.491 3.319 1.00 0.00 C ATOM 560 CG TRP A 37 14.059 -11.772 1.857 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.020 -12.665 1.552 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.457 -11.248 0.624 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.604 -12.583 0.239 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.527 -11.737 -0.369 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.491 -10.409 0.180 1.00 0.00 C ATOM 566 CZ2 TRP A 37 13.626 -11.325 -1.696 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.534 -9.994 -1.162 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.656 -10.460 -2.066 1.00 0.00 C ATOM 0 H TRP A 37 12.295 -11.765 3.823 1.00 0.00 H new ATOM 0 HA TRP A 37 14.393 -10.496 5.266 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.593 -11.159 3.226 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.578 -12.457 3.823 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.590 -13.346 2.271 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.800 -13.040 -0.190 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.254 -10.082 0.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.913 -11.671 -2.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.288 -9.286 -1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.749 -10.159 -3.099 1.00 0.00 H new ATOM 579 N CYS A 38 13.842 -7.946 4.881 1.00 0.00 N ATOM 580 CA CYS A 38 13.774 -6.444 4.577 1.00 0.00 C ATOM 581 C CYS A 38 13.958 -5.625 5.865 1.00 0.00 C ATOM 582 O CYS A 38 12.912 -5.243 6.497 1.00 0.00 O ATOM 583 CB CYS A 38 12.542 -6.162 3.781 1.00 0.00 C ATOM 584 SG CYS A 38 12.880 -4.490 3.157 1.00 0.00 S ATOM 0 H CYS A 38 13.740 -8.164 5.872 1.00 0.00 H new ATOM 0 HA CYS A 38 14.602 -6.121 3.946 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.404 -6.880 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.642 -6.196 4.395 1.00 0.00 H new ATOM 0 HG CYS A 38 11.761 -3.840 3.030 1.00 0.00 H new ATOM 590 N PRO A 39 15.168 -5.353 6.486 1.00 0.00 N ATOM 591 CA PRO A 39 15.397 -4.291 7.515 1.00 0.00 C ATOM 592 C PRO A 39 14.855 -2.818 7.143 1.00 0.00 C ATOM 593 O PRO A 39 14.281 -2.188 8.035 1.00 0.00 O ATOM 594 CB PRO A 39 16.906 -4.417 7.771 1.00 0.00 C ATOM 595 CG PRO A 39 17.259 -5.848 7.400 1.00 0.00 C ATOM 596 CD PRO A 39 16.468 -6.144 6.181 1.00 0.00 C ATOM 0 HA PRO A 39 14.804 -4.437 8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.468 -3.704 7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.146 -4.211 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.327 -5.953 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.009 -6.536 8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.961 -5.797 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.284 -7.211 6.056 1.00 0.00 H new ATOM 604 N PRO A 40 15.036 -2.249 5.896 1.00 0.00 N ATOM 605 CA PRO A 40 14.294 -1.040 5.399 1.00 0.00 C ATOM 606 C PRO A 40 12.721 -1.046 5.648 1.00 0.00 C ATOM 607 O PRO A 40 12.263 -0.192 6.394 1.00 0.00 O ATOM 608 CB PRO A 40 14.807 -0.842 3.947 1.00 0.00 C ATOM 609 CG PRO A 40 16.149 -1.526 3.972 1.00 0.00 C ATOM 610 CD PRO A 40 15.918 -2.779 4.818 1.00 0.00 C ATOM 0 HA PRO A 40 14.509 -0.147 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.136 -1.293 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.895 0.213 3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.484 -1.781 2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.914 -0.885 4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.438 -3.575 4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.849 -3.186 5.212 1.00 0.00 H new ATOM 618 N CYS A 41 11.960 -2.054 5.135 1.00 0.00 N ATOM 619 CA CYS A 41 10.651 -2.351 5.703 1.00 0.00 C ATOM 620 C CYS A 41 10.416 -2.691 7.185 1.00 0.00 C ATOM 621 O CYS A 41 9.311 -2.334 7.626 1.00 0.00 O ATOM 622 CB CYS A 41 9.780 -3.204 4.750 1.00 0.00 C ATOM 623 SG CYS A 41 9.656 -2.497 3.085 1.00 0.00 S ATOM 0 H CYS A 41 12.236 -2.648 4.353 1.00 0.00 H new ATOM 0 HA CYS A 41 10.319 -1.316 5.780 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.200 -4.208 4.683 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.780 -3.304 5.172 1.00 0.00 H new ATOM 0 HG CYS A 41 8.417 -2.192 2.834 1.00 0.00 H new ATOM 629 N LYS A 42 11.392 -3.298 7.985 1.00 0.00 N ATOM 630 CA LYS A 42 11.367 -3.462 9.444 1.00 0.00 C ATOM 631 C LYS A 42 11.068 -2.072 10.185 1.00 0.00 C ATOM 632 O LYS A 42 10.130 -1.964 10.975 1.00 0.00 O ATOM 633 CB LYS A 42 12.557 -4.295 9.986 1.00 0.00 C ATOM 634 CG LYS A 42 12.481 -4.845 11.461 1.00 0.00 C ATOM 635 CD LYS A 42 13.636 -5.779 11.952 1.00 0.00 C ATOM 636 CE LYS A 42 13.372 -6.365 13.348 1.00 0.00 C ATOM 637 NZ LYS A 42 14.419 -7.257 13.793 1.00 0.00 N ATOM 0 H LYS A 42 12.239 -3.691 7.575 1.00 0.00 H new ATOM 0 HA LYS A 42 10.515 -4.091 9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.695 -5.148 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.454 -3.681 9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.432 -3.990 12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.542 -5.389 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.767 -6.593 11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.570 -5.217 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.268 -5.550 14.064 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.424 -6.903 13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.186 -7.621 14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.504 -8.052 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.321 -6.741 13.833 1.00 0.00 H new ATOM 650 N MET A 43 11.799 -0.961 9.916 1.00 0.00 N ATOM 651 CA MET A 43 11.311 0.471 10.146 1.00 0.00 C ATOM 652 C MET A 43 10.082 0.988 9.384 1.00 0.00 C ATOM 653 O MET A 43 9.195 1.570 9.980 1.00 0.00 O ATOM 654 CB MET A 43 12.529 1.403 10.240 1.00 0.00 C ATOM 655 CG MET A 43 13.292 1.710 8.920 1.00 0.00 C ATOM 656 SD MET A 43 14.429 3.153 9.067 1.00 0.00 S ATOM 657 CE MET A 43 14.298 3.760 7.314 1.00 0.00 C ATOM 0 H MET A 43 12.744 -1.005 9.534 1.00 0.00 H new ATOM 0 HA MET A 43 10.799 0.459 11.108 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.198 2.350 10.667 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.236 0.965 10.945 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.865 0.831 8.625 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.571 1.902 8.126 1.00 0.00 H new ATOM 0 HE1 MET A 43 14.922 4.645 7.188 1.00 0.00 H new ATOM 0 HE2 MET A 43 14.634 2.979 6.632 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.261 4.013 7.093 1.00 0.00 H new ATOM 667 N ILE A 44 10.008 0.901 8.042 1.00 0.00 N ATOM 668 CA ILE A 44 8.839 1.331 7.195 1.00 0.00 C ATOM 669 C ILE A 44 7.376 1.006 7.580 1.00 0.00 C ATOM 670 O ILE A 44 6.477 1.791 7.329 1.00 0.00 O ATOM 671 CB ILE A 44 9.170 1.364 5.659 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.751 2.731 4.947 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.568 0.255 4.750 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.540 3.903 5.393 1.00 0.00 C ATOM 0 H ILE A 44 10.773 0.521 7.485 1.00 0.00 H new ATOM 0 HA ILE A 44 8.750 2.356 7.554 1.00 0.00 H new ATOM 0 HB ILE A 44 10.247 1.212 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.864 2.618 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.695 2.921 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.888 0.415 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.914 -0.721 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.480 0.293 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.198 4.794 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.408 4.043 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.595 3.735 5.176 1.00 0.00 H new ATOM 686 N ALA A 45 7.121 -0.211 8.151 1.00 0.00 N ATOM 687 CA ALA A 45 5.859 -0.598 8.872 1.00 0.00 C ATOM 688 C ALA A 45 5.471 0.343 10.084 1.00 0.00 C ATOM 689 O ALA A 45 4.387 0.922 9.986 1.00 0.00 O ATOM 690 CB ALA A 45 5.890 -2.093 9.192 1.00 0.00 C ATOM 0 H ALA A 45 7.802 -0.970 8.124 1.00 0.00 H new ATOM 0 HA ALA A 45 5.021 -0.426 8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.975 -2.372 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.967 -2.662 8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.750 -2.312 9.825 1.00 0.00 H new ATOM 696 N PRO A 46 6.320 0.670 11.128 1.00 0.00 N ATOM 697 CA PRO A 46 6.117 1.888 11.974 1.00 0.00 C ATOM 698 C PRO A 46 5.874 3.234 11.282 1.00 0.00 C ATOM 699 O PRO A 46 4.930 3.944 11.667 1.00 0.00 O ATOM 700 CB PRO A 46 7.383 1.939 12.878 1.00 0.00 C ATOM 701 CG PRO A 46 7.741 0.457 13.047 1.00 0.00 C ATOM 702 CD PRO A 46 7.337 -0.243 11.682 1.00 0.00 C ATOM 0 HA PRO A 46 5.168 1.771 12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.192 2.499 12.410 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.177 2.417 13.836 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.805 0.332 13.251 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.202 0.018 13.886 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.192 -0.348 11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.935 -1.243 11.845 1.00 0.00 H new ATOM 710 N ILE A 47 6.643 3.687 10.269 1.00 0.00 N ATOM 711 CA ILE A 47 6.407 4.920 9.407 1.00 0.00 C ATOM 712 C ILE A 47 4.986 4.890 8.726 1.00 0.00 C ATOM 713 O ILE A 47 4.233 5.880 8.689 1.00 0.00 O ATOM 714 CB ILE A 47 7.616 5.245 8.451 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.987 5.466 9.086 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.309 6.476 7.471 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.999 6.631 10.120 1.00 0.00 C ATOM 0 H ILE A 47 7.494 3.195 9.997 1.00 0.00 H new ATOM 0 HA ILE A 47 6.378 5.788 10.066 1.00 0.00 H new ATOM 0 HB ILE A 47 7.697 4.306 7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.305 4.547 9.579 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.715 5.676 8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.174 6.658 6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.444 6.240 6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.099 7.368 8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.001 6.738 10.536 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.710 7.559 9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.294 6.412 10.922 1.00 0.00 H new ATOM 729 N PHE A 48 4.657 3.795 8.041 1.00 0.00 N ATOM 730 CA PHE A 48 3.336 3.508 7.406 1.00 0.00 C ATOM 731 C PHE A 48 2.119 3.545 8.444 1.00 0.00 C ATOM 732 O PHE A 48 1.087 4.163 8.155 1.00 0.00 O ATOM 733 CB PHE A 48 3.513 2.205 6.582 1.00 0.00 C ATOM 734 CG PHE A 48 2.506 1.788 5.487 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.248 2.701 4.468 1.00 0.00 C ATOM 736 CD2 PHE A 48 2.147 0.446 5.354 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.591 2.294 3.321 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.464 0.042 4.224 1.00 0.00 C ATOM 739 CZ PHE A 48 1.183 0.957 3.190 1.00 0.00 C ATOM 0 H PHE A 48 5.324 3.037 7.897 1.00 0.00 H new ATOM 0 HA PHE A 48 3.035 4.298 6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.491 2.265 6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.558 1.384 7.297 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.562 3.729 4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.400 -0.267 6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.393 3.002 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.142 -0.985 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.658 0.632 2.304 1.00 0.00 H new ATOM 749 N ALA A 49 2.266 2.958 9.633 1.00 0.00 N ATOM 750 CA ALA A 49 1.423 3.263 10.782 1.00 0.00 C ATOM 751 C ALA A 49 1.289 4.711 11.397 1.00 0.00 C ATOM 752 O ALA A 49 0.180 5.195 11.597 1.00 0.00 O ATOM 753 CB ALA A 49 1.682 2.249 11.917 1.00 0.00 C ATOM 0 H ALA A 49 2.979 2.254 9.823 1.00 0.00 H new ATOM 0 HA ALA A 49 0.454 3.188 10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.046 2.487 12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.455 1.243 11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.728 2.300 12.219 1.00 0.00 H new ATOM 759 N GLU A 50 2.358 5.496 11.644 1.00 0.00 N ATOM 760 CA GLU A 50 2.216 6.976 11.925 1.00 0.00 C ATOM 761 C GLU A 50 1.427 7.844 10.861 1.00 0.00 C ATOM 762 O GLU A 50 0.548 8.701 11.070 1.00 0.00 O ATOM 763 CB GLU A 50 3.616 7.411 12.389 1.00 0.00 C ATOM 764 CG GLU A 50 3.531 8.707 13.182 1.00 0.00 C ATOM 765 CD GLU A 50 4.883 9.328 13.491 1.00 0.00 C ATOM 766 OE1 GLU A 50 5.759 9.652 12.634 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.108 9.355 14.864 1.00 0.00 O ATOM 0 H GLU A 50 3.320 5.157 11.659 1.00 0.00 H new ATOM 0 HA GLU A 50 1.496 7.185 12.716 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.062 6.629 13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.267 7.547 11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.931 9.425 12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.007 8.515 14.119 1.00 0.00 H new ATOM 775 N LEU A 51 1.742 7.535 9.661 1.00 0.00 N ATOM 776 CA LEU A 51 1.071 8.034 8.469 1.00 0.00 C ATOM 777 C LEU A 51 -0.471 7.703 8.372 1.00 0.00 C ATOM 778 O LEU A 51 -1.296 8.586 8.121 1.00 0.00 O ATOM 779 CB LEU A 51 2.001 7.474 7.318 1.00 0.00 C ATOM 780 CG LEU A 51 1.647 7.816 5.821 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.723 6.779 5.254 1.00 0.00 C ATOM 782 CD2 LEU A 51 1.080 9.247 5.643 1.00 0.00 C ATOM 0 H LEU A 51 2.509 6.898 9.446 1.00 0.00 H new ATOM 0 HA LEU A 51 0.984 9.120 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.013 7.832 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.024 6.388 7.412 1.00 0.00 H new ATOM 0 HG LEU A 51 2.580 7.797 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.487 7.028 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.206 5.802 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.196 6.752 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.856 9.421 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.168 9.353 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.817 9.975 5.983 1.00 0.00 H new ATOM 794 N ALA A 52 -0.781 6.394 8.525 1.00 0.00 N ATOM 795 CA ALA A 52 -2.187 5.901 8.681 1.00 0.00 C ATOM 796 C ALA A 52 -3.046 6.510 9.801 1.00 0.00 C ATOM 797 O ALA A 52 -4.131 7.087 9.537 1.00 0.00 O ATOM 798 CB ALA A 52 -2.200 4.349 8.809 1.00 0.00 C ATOM 0 H ALA A 52 -0.081 5.652 8.545 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.667 6.252 7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.227 4.002 8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.764 3.906 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.618 4.051 9.681 1.00 0.00 H new ATOM 804 N LYS A 53 -2.461 6.612 10.981 1.00 0.00 N ATOM 805 CA LYS A 53 -2.944 7.449 12.119 1.00 0.00 C ATOM 806 C LYS A 53 -3.246 8.995 11.750 1.00 0.00 C ATOM 807 O LYS A 53 -4.204 9.620 12.281 1.00 0.00 O ATOM 808 CB LYS A 53 -1.891 7.190 13.255 1.00 0.00 C ATOM 809 CG LYS A 53 -1.847 5.748 13.904 1.00 0.00 C ATOM 810 CD LYS A 53 -0.615 5.514 14.848 1.00 0.00 C ATOM 811 CE LYS A 53 -0.599 4.009 15.128 1.00 0.00 C ATOM 812 NZ LYS A 53 0.571 3.621 15.915 1.00 0.00 N ATOM 0 H LYS A 53 -1.604 6.105 11.204 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.943 7.164 12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.902 7.406 12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.074 7.911 14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.763 5.588 14.472 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.830 5.003 13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.312 5.835 14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.713 6.085 15.771 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.507 3.728 15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.601 3.463 14.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.550 2.595 16.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.437 3.867 15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.560 4.124 16.825 1.00 0.00 H new ATOM 825 N LYS A 54 -2.326 9.628 10.961 1.00 0.00 N ATOM 826 CA LYS A 54 -2.495 11.024 10.399 1.00 0.00 C ATOM 827 C LYS A 54 -3.721 11.262 9.388 1.00 0.00 C ATOM 828 O LYS A 54 -4.172 12.392 9.229 1.00 0.00 O ATOM 829 CB LYS A 54 -1.046 11.351 9.939 1.00 0.00 C ATOM 830 CG LYS A 54 -0.704 12.800 9.611 1.00 0.00 C ATOM 831 CD LYS A 54 0.718 13.003 9.117 1.00 0.00 C ATOM 832 CE LYS A 54 1.750 12.972 10.258 1.00 0.00 C ATOM 833 NZ LYS A 54 3.077 13.313 9.771 1.00 0.00 N ATOM 0 H LYS A 54 -1.444 9.193 10.691 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.860 11.757 11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.365 11.017 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.834 10.750 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.397 13.163 8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.859 13.410 10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.961 12.227 8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.785 13.959 8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.455 13.672 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.768 11.980 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.754 13.285 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.366 12.629 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.062 14.269 9.362 1.00 0.00 H new ATOM 846 N PHE A 55 -4.134 10.244 8.599 1.00 0.00 N ATOM 847 CA PHE A 55 -4.808 10.279 7.293 1.00 0.00 C ATOM 848 C PHE A 55 -6.035 9.235 7.294 1.00 0.00 C ATOM 849 O PHE A 55 -5.809 8.042 7.022 1.00 0.00 O ATOM 850 CB PHE A 55 -3.723 9.862 6.228 1.00 0.00 C ATOM 851 CG PHE A 55 -2.993 11.020 5.542 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.523 11.822 4.468 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.789 11.486 6.148 1.00 0.00 C ATOM 854 CE1 PHE A 55 -2.830 12.964 3.974 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.053 12.531 5.574 1.00 0.00 C ATOM 856 CZ PHE A 55 -1.611 13.278 4.583 1.00 0.00 C ATOM 0 H PHE A 55 -3.985 9.280 8.898 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.214 11.265 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.983 9.228 6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.206 9.255 5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.470 11.550 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.440 11.027 7.061 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.228 13.560 3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.050 12.742 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.085 14.160 4.249 1.00 0.00 H new ATOM 866 N PRO A 56 -7.290 9.709 7.641 1.00 0.00 N ATOM 867 CA PRO A 56 -8.633 9.045 7.598 1.00 0.00 C ATOM 868 C PRO A 56 -9.417 8.609 6.303 1.00 0.00 C ATOM 869 O PRO A 56 -10.130 7.646 6.424 1.00 0.00 O ATOM 870 CB PRO A 56 -9.554 9.934 8.448 1.00 0.00 C ATOM 871 CG PRO A 56 -8.987 11.329 8.264 1.00 0.00 C ATOM 872 CD PRO A 56 -7.513 11.126 7.950 1.00 0.00 C ATOM 0 HA PRO A 56 -8.362 8.040 7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.589 9.876 8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.543 9.634 9.496 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.493 11.855 7.454 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.118 11.929 9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.217 11.748 7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.900 11.429 8.799 1.00 0.00 H new ATOM 880 N ASN A 57 -9.221 9.329 5.167 1.00 0.00 N ATOM 881 CA ASN A 57 -9.780 8.992 3.813 1.00 0.00 C ATOM 882 C ASN A 57 -9.243 7.689 3.147 1.00 0.00 C ATOM 883 O ASN A 57 -9.631 7.384 1.972 1.00 0.00 O ATOM 884 CB ASN A 57 -9.517 10.257 2.929 1.00 0.00 C ATOM 885 CG ASN A 57 -8.049 10.654 2.619 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.451 10.156 1.691 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.330 11.344 3.473 1.00 0.00 N ATOM 0 H ASN A 57 -8.659 10.180 5.158 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.839 8.757 3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.028 10.108 1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.994 11.107 3.417 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.324 11.437 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.777 11.787 4.275 1.00 0.00 H new ATOM 894 N VAL A 58 -8.358 6.975 3.791 1.00 0.00 N ATOM 895 CA VAL A 58 -7.336 6.189 3.053 1.00 0.00 C ATOM 896 C VAL A 58 -7.052 4.905 3.895 1.00 0.00 C ATOM 897 O VAL A 58 -6.518 4.903 5.004 1.00 0.00 O ATOM 898 CB VAL A 58 -6.166 7.201 2.749 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.527 8.019 3.922 1.00 0.00 C ATOM 900 CG2 VAL A 58 -5.036 6.565 1.953 1.00 0.00 C ATOM 0 H VAL A 58 -8.302 6.905 4.807 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.609 5.786 2.078 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.726 7.939 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.740 8.663 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.293 8.631 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.103 7.333 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.257 7.306 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.619 5.730 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.421 6.203 1.000 1.00 0.00 H new ATOM 910 N THR A 59 -7.490 3.770 3.235 1.00 0.00 N ATOM 911 CA THR A 59 -7.081 2.340 3.578 1.00 0.00 C ATOM 912 C THR A 59 -5.589 2.069 3.204 1.00 0.00 C ATOM 913 O THR A 59 -4.963 2.669 2.324 1.00 0.00 O ATOM 914 CB THR A 59 -8.087 1.341 2.977 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.382 1.556 3.484 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.730 -0.208 3.015 1.00 0.00 C ATOM 0 H THR A 59 -8.138 3.816 2.448 1.00 0.00 H new ATOM 0 HA THR A 59 -7.124 2.195 4.657 1.00 0.00 H new ATOM 0 HB THR A 59 -8.029 1.578 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.010 0.941 3.049 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.536 -0.779 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.804 -0.381 2.467 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.605 -0.527 4.050 1.00 0.00 H new ATOM 924 N PHE A 60 -5.028 1.110 3.929 1.00 0.00 N ATOM 925 CA PHE A 60 -3.594 0.823 3.882 1.00 0.00 C ATOM 926 C PHE A 60 -3.490 -0.721 4.166 1.00 0.00 C ATOM 927 O PHE A 60 -4.140 -1.247 5.085 1.00 0.00 O ATOM 928 CB PHE A 60 -2.611 1.537 4.905 1.00 0.00 C ATOM 929 CG PHE A 60 -2.597 3.064 4.828 1.00 0.00 C ATOM 930 CD1 PHE A 60 -3.454 3.913 5.509 1.00 0.00 C ATOM 931 CD2 PHE A 60 -1.619 3.616 3.973 1.00 0.00 C ATOM 932 CE1 PHE A 60 -3.322 5.292 5.371 1.00 0.00 C ATOM 933 CE2 PHE A 60 -1.526 4.982 3.769 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.412 5.809 4.435 1.00 0.00 C ATOM 0 H PHE A 60 -5.550 0.508 4.566 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.261 1.202 2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.887 1.242 5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.600 1.170 4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.224 3.505 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.928 2.958 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.915 5.959 5.979 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.779 5.392 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.404 6.870 4.232 1.00 0.00 H new ATOM 944 N LEU A 61 -2.648 -1.439 3.328 1.00 0.00 N ATOM 945 CA LEU A 61 -2.575 -2.911 3.337 1.00 0.00 C ATOM 946 C LEU A 61 -1.134 -3.234 2.793 1.00 0.00 C ATOM 947 O LEU A 61 -0.336 -2.401 2.388 1.00 0.00 O ATOM 948 CB LEU A 61 -3.804 -3.523 2.566 1.00 0.00 C ATOM 949 CG LEU A 61 -3.804 -3.469 1.010 1.00 0.00 C ATOM 950 CD1 LEU A 61 -3.106 -4.706 0.456 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.279 -3.502 0.514 1.00 0.00 C ATOM 0 H LEU A 61 -2.024 -1.000 2.651 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.675 -3.382 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.894 -4.568 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.702 -3.014 2.916 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.293 -2.565 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.107 -4.667 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.078 -4.736 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.634 -5.600 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.298 -3.465 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.757 -4.421 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.817 -2.643 0.916 1.00 0.00 H new ATOM 963 N LYS A 62 -0.698 -4.495 2.999 1.00 0.00 N ATOM 964 CA LYS A 62 0.671 -4.904 2.761 1.00 0.00 C ATOM 965 C LYS A 62 0.801 -6.435 2.502 1.00 0.00 C ATOM 966 O LYS A 62 0.648 -7.268 3.404 1.00 0.00 O ATOM 967 CB LYS A 62 1.619 -4.413 3.883 1.00 0.00 C ATOM 968 CG LYS A 62 1.280 -4.721 5.352 1.00 0.00 C ATOM 969 CD LYS A 62 2.396 -4.523 6.353 1.00 0.00 C ATOM 970 CE LYS A 62 3.805 -5.174 6.198 1.00 0.00 C ATOM 971 NZ LYS A 62 3.848 -6.638 6.557 1.00 0.00 N ATOM 0 H LYS A 62 -1.299 -5.247 3.336 1.00 0.00 H new ATOM 0 HA LYS A 62 0.989 -4.416 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.606 -4.829 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.704 -3.331 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.440 -4.093 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.943 -5.756 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.559 -3.448 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.008 -4.852 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.138 -5.053 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.514 -4.635 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.815 -6.999 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.561 -6.761 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.197 -7.166 5.941 1.00 0.00 H new ATOM 984 N VAL A 63 1.468 -6.723 1.374 1.00 0.00 N ATOM 985 CA VAL A 63 1.759 -8.026 0.801 1.00 0.00 C ATOM 986 C VAL A 63 3.153 -8.467 1.310 1.00 0.00 C ATOM 987 O VAL A 63 4.248 -7.948 1.012 1.00 0.00 O ATOM 988 CB VAL A 63 1.585 -7.928 -0.728 1.00 0.00 C ATOM 989 CG1 VAL A 63 2.334 -9.050 -1.516 1.00 0.00 C ATOM 990 CG2 VAL A 63 0.133 -7.917 -1.248 1.00 0.00 C ATOM 0 H VAL A 63 1.848 -5.974 0.795 1.00 0.00 H new ATOM 0 HA VAL A 63 1.074 -8.814 1.114 1.00 0.00 H new ATOM 0 HB VAL A 63 2.026 -6.949 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.167 -8.918 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.402 -8.991 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.957 -10.025 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.137 -7.845 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.368 -8.837 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.397 -7.061 -0.830 1.00 0.00 H new ATOM 1000 N ASP A 64 3.213 -9.622 1.910 1.00 0.00 N ATOM 1001 CA ASP A 64 4.432 -10.596 1.857 1.00 0.00 C ATOM 1002 C ASP A 64 4.510 -11.209 0.406 1.00 0.00 C ATOM 1003 O ASP A 64 3.682 -11.962 -0.050 1.00 0.00 O ATOM 1004 CB ASP A 64 4.383 -11.755 2.890 1.00 0.00 C ATOM 1005 CG ASP A 64 5.722 -12.288 3.241 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.579 -11.650 3.796 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.950 -13.613 2.819 1.00 0.00 O ATOM 0 H ASP A 64 2.443 -9.982 2.474 1.00 0.00 H new ATOM 0 HA ASP A 64 5.312 -10.006 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.891 -11.403 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.772 -12.564 2.489 1.00 0.00 H new ATOM 1013 N VAL A 65 5.487 -10.757 -0.308 1.00 0.00 N ATOM 1014 CA VAL A 65 5.817 -11.090 -1.714 1.00 0.00 C ATOM 1015 C VAL A 65 6.241 -12.601 -1.954 1.00 0.00 C ATOM 1016 O VAL A 65 5.873 -13.159 -2.974 1.00 0.00 O ATOM 1017 CB VAL A 65 6.676 -9.965 -2.355 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.222 -10.237 -2.334 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.191 -9.496 -3.784 1.00 0.00 C ATOM 0 H VAL A 65 6.150 -10.086 0.081 1.00 0.00 H new ATOM 0 HA VAL A 65 4.901 -11.085 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 65 6.501 -9.124 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.745 -9.402 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.558 -10.345 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.438 -11.153 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.850 -8.709 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.215 -10.341 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.173 -9.114 -3.715 1.00 0.00 H new ATOM 1029 N ASP A 66 7.066 -13.233 -1.121 1.00 0.00 N ATOM 1030 CA ASP A 66 7.349 -14.727 -1.093 1.00 0.00 C ATOM 1031 C ASP A 66 6.071 -15.642 -1.257 1.00 0.00 C ATOM 1032 O ASP A 66 6.140 -16.585 -2.062 1.00 0.00 O ATOM 1033 CB ASP A 66 8.257 -15.162 0.120 1.00 0.00 C ATOM 1034 CG ASP A 66 9.474 -14.320 0.505 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.616 -14.766 0.469 1.00 0.00 O ATOM 1036 OD2 ASP A 66 9.228 -13.062 0.984 1.00 0.00 O ATOM 0 H ASP A 66 7.592 -12.729 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 66 7.933 -14.905 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.615 -15.225 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.613 -16.171 -0.087 1.00 0.00 H new ATOM 1042 N GLU A 67 4.982 -15.333 -0.527 1.00 0.00 N ATOM 1043 CA GLU A 67 3.634 -15.787 -0.822 1.00 0.00 C ATOM 1044 C GLU A 67 2.977 -15.564 -2.228 1.00 0.00 C ATOM 1045 O GLU A 67 2.443 -16.507 -2.798 1.00 0.00 O ATOM 1046 CB GLU A 67 2.779 -15.305 0.357 1.00 0.00 C ATOM 1047 CG GLU A 67 3.167 -15.810 1.802 1.00 0.00 C ATOM 1048 CD GLU A 67 2.025 -15.519 2.755 1.00 0.00 C ATOM 1049 OE1 GLU A 67 1.885 -14.411 3.281 1.00 0.00 O ATOM 1050 OE2 GLU A 67 1.135 -16.560 2.763 1.00 0.00 O ATOM 0 H GLU A 67 5.031 -14.744 0.304 1.00 0.00 H new ATOM 0 HA GLU A 67 3.702 -16.870 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.803 -14.215 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.747 -15.599 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.377 -16.879 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.076 -15.313 2.142 1.00 0.00 H new ATOM 1058 N LEU A 68 2.970 -14.315 -2.749 1.00 0.00 N ATOM 1059 CA LEU A 68 2.139 -13.701 -3.802 1.00 0.00 C ATOM 1060 C LEU A 68 2.996 -12.856 -4.863 1.00 0.00 C ATOM 1061 O LEU A 68 2.580 -11.727 -5.244 1.00 0.00 O ATOM 1062 CB LEU A 68 1.187 -12.808 -3.030 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.116 -13.392 -2.375 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.885 -12.292 -1.625 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -1.003 -14.160 -3.375 1.00 0.00 C ATOM 0 H LEU A 68 3.635 -13.629 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 68 1.633 -14.454 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.764 -12.340 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.876 -12.012 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 68 0.196 -14.138 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.784 -12.717 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.252 -11.876 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.164 -11.503 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.887 -14.538 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.309 -13.490 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.441 -14.995 -3.793 1.00 0.00 H new ATOM 1077 N LYS A 69 4.079 -13.319 -5.375 1.00 0.00 N ATOM 1078 CA LYS A 69 4.900 -12.722 -6.475 1.00 0.00 C ATOM 1079 C LYS A 69 4.181 -12.465 -7.809 1.00 0.00 C ATOM 1080 O LYS A 69 4.379 -11.365 -8.351 1.00 0.00 O ATOM 1081 CB LYS A 69 6.381 -13.255 -6.515 1.00 0.00 C ATOM 1082 CG LYS A 69 6.480 -14.843 -6.607 1.00 0.00 C ATOM 1083 CD LYS A 69 7.857 -15.489 -6.766 1.00 0.00 C ATOM 1084 CE LYS A 69 8.642 -15.485 -5.481 1.00 0.00 C ATOM 1085 NZ LYS A 69 9.954 -16.199 -5.522 1.00 0.00 N ATOM 0 H LYS A 69 4.483 -14.193 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 69 5.038 -11.680 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.894 -12.816 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.905 -12.917 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.025 -15.254 -5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.866 -15.163 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.736 -16.515 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.419 -14.957 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.821 -14.450 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.029 -15.935 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.412 -16.137 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.798 -17.198 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.566 -15.760 -6.239 1.00 0.00 H new ATOM 1098 N ALA A 70 3.383 -13.400 -8.328 1.00 0.00 N ATOM 1099 CA ALA A 70 2.577 -13.387 -9.541 1.00 0.00 C ATOM 1100 C ALA A 70 1.774 -12.079 -9.898 1.00 0.00 C ATOM 1101 O ALA A 70 2.180 -11.160 -10.635 1.00 0.00 O ATOM 1102 CB ALA A 70 1.689 -14.657 -9.553 1.00 0.00 C ATOM 0 H ALA A 70 3.277 -14.292 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 70 3.299 -13.389 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.077 -14.665 -10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.322 -15.544 -9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.042 -14.657 -8.676 1.00 0.00 H new ATOM 1108 N VAL A 71 0.770 -11.967 -9.081 1.00 0.00 N ATOM 1109 CA VAL A 71 -0.050 -10.697 -8.908 1.00 0.00 C ATOM 1110 C VAL A 71 0.678 -9.427 -8.324 1.00 0.00 C ATOM 1111 O VAL A 71 0.373 -8.300 -8.717 1.00 0.00 O ATOM 1112 CB VAL A 71 -1.372 -11.004 -8.131 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -1.105 -11.354 -6.648 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -2.369 -9.808 -8.277 1.00 0.00 C ATOM 0 H VAL A 71 0.454 -12.734 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.261 -10.391 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.830 -11.888 -8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.051 -11.560 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.465 -12.235 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.611 -10.514 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.287 -10.031 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.916 -8.904 -7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.601 -9.654 -9.331 1.00 0.00 H new ATOM 1124 N ALA A 72 1.597 -9.456 -7.353 1.00 0.00 N ATOM 1125 CA ALA A 72 2.396 -8.207 -6.960 1.00 0.00 C ATOM 1126 C ALA A 72 3.121 -7.644 -8.144 1.00 0.00 C ATOM 1127 O ALA A 72 3.064 -6.419 -8.475 1.00 0.00 O ATOM 1128 CB ALA A 72 3.477 -8.532 -5.972 1.00 0.00 C ATOM 0 H ALA A 72 1.829 -10.291 -6.815 1.00 0.00 H new ATOM 0 HA ALA A 72 1.668 -7.509 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.022 -7.623 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.032 -8.953 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.164 -9.256 -6.410 1.00 0.00 H new ATOM 1134 N GLU A 73 3.690 -8.431 -8.986 1.00 0.00 N ATOM 1135 CA GLU A 73 4.226 -8.052 -10.329 1.00 0.00 C ATOM 1136 C GLU A 73 3.244 -7.432 -11.285 1.00 0.00 C ATOM 1137 O GLU A 73 3.563 -6.350 -11.748 1.00 0.00 O ATOM 1138 CB GLU A 73 5.120 -9.219 -10.868 1.00 0.00 C ATOM 1139 CG GLU A 73 5.813 -9.026 -12.141 1.00 0.00 C ATOM 1140 CD GLU A 73 6.674 -10.086 -12.665 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.404 -10.709 -13.698 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.617 -10.419 -11.806 1.00 0.00 O ATOM 0 H GLU A 73 3.822 -9.422 -8.785 1.00 0.00 H new ATOM 0 HA GLU A 73 4.876 -7.186 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.871 -9.441 -10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.491 -10.104 -10.962 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.055 -8.819 -12.896 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.423 -8.128 -12.047 1.00 0.00 H new ATOM 1150 N GLU A 74 2.103 -8.128 -11.520 1.00 0.00 N ATOM 1151 CA GLU A 74 0.974 -7.605 -12.297 1.00 0.00 C ATOM 1152 C GLU A 74 0.325 -6.199 -11.921 1.00 0.00 C ATOM 1153 O GLU A 74 0.040 -5.423 -12.930 1.00 0.00 O ATOM 1154 CB GLU A 74 0.022 -8.798 -12.436 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.319 -8.629 -11.647 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.507 -7.960 -12.323 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -3.254 -8.475 -13.114 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -2.751 -6.743 -11.725 1.00 0.00 O ATOM 0 H GLU A 74 1.949 -9.073 -11.169 1.00 0.00 H new ATOM 0 HA GLU A 74 1.342 -7.245 -13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.204 -8.950 -13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.528 -9.698 -12.086 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.639 -9.622 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.097 -8.063 -10.742 1.00 0.00 H new ATOM 1166 N TRP A 75 0.085 -5.770 -10.670 1.00 0.00 N ATOM 1167 CA TRP A 75 -0.138 -4.351 -10.344 1.00 0.00 C ATOM 1168 C TRP A 75 1.053 -3.455 -10.719 1.00 0.00 C ATOM 1169 O TRP A 75 0.813 -2.586 -11.535 1.00 0.00 O ATOM 1170 CB TRP A 75 -0.527 -4.001 -8.925 1.00 0.00 C ATOM 1171 CG TRP A 75 -1.495 -4.939 -8.151 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -1.066 -5.865 -7.245 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.830 -5.202 -8.370 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -2.168 -6.682 -6.856 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -3.181 -6.336 -7.661 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.732 -4.744 -9.432 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.469 -6.792 -7.658 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -5.053 -5.216 -9.367 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -5.440 -6.252 -8.461 1.00 0.00 C ATOM 0 H TRP A 75 0.040 -6.391 -9.862 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.014 -4.156 -10.963 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.391 -3.924 -8.343 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.977 -3.008 -8.943 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.054 -5.963 -6.881 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.182 -7.385 -6.117 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.400 -4.082 -10.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.731 -7.607 -7.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.797 -4.784 -10.020 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.462 -6.597 -8.411 1.00 0.00 H new ATOM 1190 N ASN A 76 2.340 -3.783 -10.290 1.00 0.00 N ATOM 1191 CA ASN A 76 3.631 -3.443 -11.082 1.00 0.00 C ATOM 1192 C ASN A 76 4.855 -3.331 -9.977 1.00 0.00 C ATOM 1193 O ASN A 76 5.263 -2.335 -9.341 1.00 0.00 O ATOM 1194 CB ASN A 76 3.691 -2.153 -11.985 1.00 0.00 C ATOM 1195 CG ASN A 76 4.990 -1.834 -12.815 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.400 -0.644 -12.919 1.00 0.00 O ATOM 1197 ND2 ASN A 76 5.618 -2.837 -13.479 1.00 0.00 N ATOM 0 H ASN A 76 2.521 -4.275 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 76 3.695 -4.249 -11.813 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.862 -2.212 -12.690 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.500 -1.296 -11.339 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.426 -2.632 -14.066 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.282 -3.796 -13.391 1.00 0.00 H new ATOM 1204 N VAL A 77 5.395 -4.518 -9.663 1.00 0.00 N ATOM 1205 CA VAL A 77 6.446 -4.819 -8.667 1.00 0.00 C ATOM 1206 C VAL A 77 7.545 -5.741 -9.348 1.00 0.00 C ATOM 1207 O VAL A 77 7.416 -6.954 -9.593 1.00 0.00 O ATOM 1208 CB VAL A 77 5.922 -5.370 -7.271 1.00 0.00 C ATOM 1209 CG1 VAL A 77 6.963 -5.555 -6.162 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.747 -4.727 -6.621 1.00 0.00 C ATOM 0 H VAL A 77 5.085 -5.366 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 77 6.901 -3.873 -8.374 1.00 0.00 H new ATOM 0 HB VAL A 77 5.602 -6.328 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.475 -5.935 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.722 -6.265 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.433 -4.597 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.531 -5.231 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.967 -3.677 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.881 -4.801 -7.279 1.00 0.00 H new ATOM 1220 N GLU A 78 8.527 -4.945 -9.812 1.00 0.00 N ATOM 1221 CA GLU A 78 9.896 -5.313 -10.242 1.00 0.00 C ATOM 1222 C GLU A 78 11.012 -5.315 -9.104 1.00 0.00 C ATOM 1223 O GLU A 78 12.075 -5.693 -9.261 1.00 0.00 O ATOM 1224 CB GLU A 78 10.268 -4.510 -11.585 1.00 0.00 C ATOM 1225 CG GLU A 78 10.475 -2.974 -11.431 1.00 0.00 C ATOM 1226 CD GLU A 78 9.377 -2.127 -10.883 1.00 0.00 C ATOM 1227 OE1 GLU A 78 8.362 -1.968 -11.547 1.00 0.00 O ATOM 1228 OE2 GLU A 78 9.520 -1.775 -9.594 1.00 0.00 O ATOM 0 H GLU A 78 8.373 -3.941 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 78 9.886 -6.376 -10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.180 -4.939 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.476 -4.678 -12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.347 -2.826 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.728 -2.580 -12.415 1.00 0.00 H new ATOM 1236 N ALA A 79 10.812 -4.521 -8.059 1.00 0.00 N ATOM 1237 CA ALA A 79 11.896 -4.045 -7.072 1.00 0.00 C ATOM 1238 C ALA A 79 11.304 -3.923 -5.672 1.00 0.00 C ATOM 1239 O ALA A 79 10.239 -3.427 -5.367 1.00 0.00 O ATOM 1240 CB ALA A 79 12.630 -2.700 -7.360 1.00 0.00 C ATOM 0 H ALA A 79 9.888 -4.157 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 79 12.654 -4.820 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.360 -2.509 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.140 -2.762 -8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.904 -1.888 -7.386 1.00 0.00 H new ATOM 1246 N MET A 80 12.120 -4.256 -4.687 1.00 0.00 N ATOM 1247 CA MET A 80 11.917 -4.139 -3.217 1.00 0.00 C ATOM 1248 C MET A 80 12.466 -2.763 -2.799 1.00 0.00 C ATOM 1249 O MET A 80 13.679 -2.408 -2.882 1.00 0.00 O ATOM 1250 CB MET A 80 12.700 -5.350 -2.432 1.00 0.00 C ATOM 1251 CG MET A 80 11.723 -6.645 -2.493 1.00 0.00 C ATOM 1252 SD MET A 80 10.154 -6.511 -1.792 1.00 0.00 S ATOM 1253 CE MET A 80 9.042 -6.321 -3.204 1.00 0.00 C ATOM 0 H MET A 80 13.035 -4.656 -4.895 1.00 0.00 H new ATOM 0 HA MET A 80 10.862 -4.224 -2.958 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.658 -5.564 -2.906 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.910 -5.071 -1.400 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.598 -6.920 -3.540 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.237 -7.474 -2.005 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.098 -6.823 -2.994 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.858 -5.262 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.499 -6.763 -4.089 1.00 0.00 H new ATOM 1263 N PRO A 81 11.557 -1.737 -2.297 1.00 0.00 N ATOM 1264 CA PRO A 81 10.101 -1.966 -2.098 1.00 0.00 C ATOM 1265 C PRO A 81 9.021 -0.815 -2.101 1.00 0.00 C ATOM 1266 O PRO A 81 9.192 0.417 -2.032 1.00 0.00 O ATOM 1267 CB PRO A 81 10.303 -2.271 -0.667 1.00 0.00 C ATOM 1268 CG PRO A 81 11.488 -1.410 -0.211 1.00 0.00 C ATOM 1269 CD PRO A 81 12.131 -0.683 -1.420 1.00 0.00 C ATOM 0 HA PRO A 81 9.694 -2.604 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.408 -2.040 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.512 -3.331 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.152 -0.678 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.232 -2.037 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.765 0.327 -1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.220 -0.630 -1.407 1.00 0.00 H new ATOM 1277 N THR A 82 7.973 -1.323 -2.698 1.00 0.00 N ATOM 1278 CA THR A 82 7.161 -0.697 -3.735 1.00 0.00 C ATOM 1279 C THR A 82 5.758 -0.682 -3.149 1.00 0.00 C ATOM 1280 O THR A 82 5.223 -1.611 -2.509 1.00 0.00 O ATOM 1281 CB THR A 82 6.981 -1.451 -5.129 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.058 -2.063 -5.786 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.147 -0.531 -6.141 1.00 0.00 C ATOM 0 H THR A 82 7.632 -2.254 -2.461 1.00 0.00 H new ATOM 0 HA THR A 82 7.664 0.241 -3.969 1.00 0.00 H new ATOM 0 HB THR A 82 6.453 -2.345 -4.797 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.646 -2.487 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.027 -1.051 -7.091 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.165 -0.320 -5.716 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.680 0.406 -6.305 1.00 0.00 H new ATOM 1291 N PHE A 83 5.284 0.621 -3.240 1.00 0.00 N ATOM 1292 CA PHE A 83 4.189 1.308 -2.606 1.00 0.00 C ATOM 1293 C PHE A 83 3.361 1.688 -3.871 1.00 0.00 C ATOM 1294 O PHE A 83 3.930 2.287 -4.737 1.00 0.00 O ATOM 1295 CB PHE A 83 4.633 2.542 -1.870 1.00 0.00 C ATOM 1296 CG PHE A 83 5.515 2.587 -0.677 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.881 2.590 -0.784 1.00 0.00 C ATOM 1298 CD2 PHE A 83 4.844 2.424 0.618 1.00 0.00 C ATOM 1299 CE1 PHE A 83 7.645 2.473 0.336 1.00 0.00 C ATOM 1300 CE2 PHE A 83 5.604 2.154 1.678 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.994 2.296 1.593 1.00 0.00 C ATOM 0 H PHE A 83 5.767 1.267 -3.864 1.00 0.00 H new ATOM 0 HA PHE A 83 3.667 0.724 -1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.120 3.169 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.716 3.052 -1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.349 2.685 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.772 2.520 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.722 2.513 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.149 1.826 2.601 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.585 2.271 2.497 1.00 0.00 H new ATOM 1311 N ILE A 84 2.151 1.267 -3.970 1.00 0.00 N ATOM 1312 CA ILE A 84 1.245 1.453 -5.147 1.00 0.00 C ATOM 1313 C ILE A 84 -0.041 2.210 -4.606 1.00 0.00 C ATOM 1314 O ILE A 84 -0.318 2.437 -3.418 1.00 0.00 O ATOM 1315 CB ILE A 84 1.085 0.024 -5.802 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.146 -0.226 -6.832 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.324 -0.417 -6.401 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.812 -1.561 -6.837 1.00 0.00 C ATOM 0 H ILE A 84 1.701 0.750 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 84 1.596 2.085 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 84 1.188 -0.605 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.701 -0.070 -7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.919 0.533 -6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.247 -1.425 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.076 -0.400 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.614 0.273 -7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.554 -1.594 -7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.302 -1.727 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.067 -2.339 -7.002 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.751 2.795 -5.598 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.711 3.974 -5.350 1.00 0.00 C ATOM 1332 C PHE A 85 -2.881 3.661 -6.317 1.00 0.00 C ATOM 1333 O PHE A 85 -2.823 3.762 -7.573 1.00 0.00 O ATOM 1334 CB PHE A 85 -0.951 5.335 -5.548 1.00 0.00 C ATOM 1335 CG PHE A 85 0.166 5.705 -4.527 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.482 5.353 -4.635 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.273 6.521 -3.432 1.00 0.00 C ATOM 1338 CE1 PHE A 85 2.294 5.578 -3.507 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.642 6.904 -2.459 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.898 6.377 -2.472 1.00 0.00 C ATOM 0 H PHE A 85 -0.702 2.500 -6.573 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.102 4.086 -4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.505 5.326 -6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.691 6.135 -5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.880 4.923 -5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.304 6.835 -3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.263 5.103 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.359 7.615 -1.697 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.581 6.591 -1.663 1.00 0.00 H new ATOM 1350 N LEU A 86 -3.989 3.183 -5.704 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.209 2.627 -6.374 1.00 0.00 C ATOM 1352 C LEU A 86 -6.386 3.305 -5.555 1.00 0.00 C ATOM 1353 O LEU A 86 -6.602 3.140 -4.334 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.168 1.118 -6.214 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.019 0.072 -7.062 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.504 0.541 -7.478 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.318 -0.374 -8.376 1.00 0.00 C ATOM 0 H LEU A 86 -4.070 3.169 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.308 2.822 -7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.125 0.834 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.415 0.924 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.099 -0.751 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.988 -0.250 -8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.086 0.746 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.444 1.444 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.953 -1.086 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.145 0.496 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.364 -0.845 -8.138 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.195 4.025 -6.291 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.379 4.808 -5.928 1.00 0.00 C ATOM 1371 C LYS A 87 -9.660 4.136 -6.566 1.00 0.00 C ATOM 1372 O LYS A 87 -9.586 3.374 -7.487 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.131 6.274 -6.341 1.00 0.00 C ATOM 1374 CG LYS A 87 -9.121 7.390 -5.877 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.497 8.793 -6.134 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.404 9.831 -5.574 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.807 11.095 -5.744 1.00 0.00 N ATOM 0 H LYS A 87 -7.026 4.092 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.564 4.819 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.139 6.549 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.095 6.303 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.064 7.298 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.346 7.271 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.514 8.860 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.355 8.953 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.370 9.799 -6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.589 9.640 -4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.433 11.829 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.895 11.118 -5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.652 11.272 -6.757 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.864 4.519 -6.157 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.097 4.356 -7.002 1.00 0.00 C ATOM 1392 C ASP A 88 -12.234 5.176 -8.301 1.00 0.00 C ATOM 1393 O ASP A 88 -13.184 5.909 -8.559 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.310 4.498 -6.062 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.660 5.879 -5.522 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.831 6.353 -5.643 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.573 6.486 -4.872 1.00 0.00 O ATOM 0 H ASP A 88 -11.039 4.948 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.021 3.364 -7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.184 4.119 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.145 3.841 -5.208 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.313 4.877 -9.186 1.00 0.00 N ATOM 1404 CA GLY A 89 -11.210 5.270 -10.587 1.00 0.00 C ATOM 1405 C GLY A 89 -9.861 4.755 -11.165 1.00 0.00 C ATOM 1406 O GLY A 89 -9.147 5.493 -11.820 1.00 0.00 O ATOM 0 H GLY A 89 -10.525 4.286 -8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.044 4.857 -11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.268 6.355 -10.678 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.519 3.479 -11.057 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.257 2.698 -11.466 1.00 0.00 C ATOM 1412 C LYS A 90 -6.868 2.972 -10.801 1.00 0.00 C ATOM 1413 O LYS A 90 -6.755 3.926 -10.011 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.247 2.695 -13.046 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.433 1.947 -13.731 1.00 0.00 C ATOM 1416 CD LYS A 90 -9.407 2.096 -15.235 1.00 0.00 C ATOM 1417 CE LYS A 90 -9.841 3.465 -15.768 1.00 0.00 C ATOM 1418 NZ LYS A 90 -9.950 3.468 -17.180 1.00 0.00 N ATOM 0 H LYS A 90 -10.183 2.837 -10.625 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.365 1.710 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.245 3.728 -13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.314 2.244 -13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.392 0.889 -13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.376 2.334 -13.345 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.395 1.893 -15.586 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.054 1.334 -15.670 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.800 3.739 -15.329 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.120 4.221 -15.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.246 4.411 -17.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.028 3.231 -17.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.656 2.764 -17.475 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.806 2.306 -11.261 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.384 2.562 -10.887 1.00 0.00 C ATOM 1433 C LEU A 91 -3.850 3.971 -11.299 1.00 0.00 C ATOM 1434 O LEU A 91 -3.389 4.178 -12.397 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.598 1.319 -11.359 1.00 0.00 C ATOM 1436 CG LEU A 91 -2.047 1.217 -11.166 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.576 1.367 -9.707 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.494 -0.136 -11.747 1.00 0.00 C ATOM 0 H LEU A 91 -5.900 1.542 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.250 2.660 -9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.038 0.456 -10.860 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.794 1.205 -12.425 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.642 2.065 -11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.490 1.284 -9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.880 2.341 -9.325 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.024 0.582 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.415 -0.181 -11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.966 -0.973 -11.232 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.718 -0.193 -12.812 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.898 4.847 -10.339 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.373 6.219 -10.381 1.00 0.00 C ATOM 1452 C VAL A 92 -1.769 6.350 -10.469 1.00 0.00 C ATOM 1453 O VAL A 92 -1.332 7.149 -11.334 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.072 7.099 -9.300 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.528 7.167 -9.646 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -3.747 6.821 -7.828 1.00 0.00 C ATOM 0 H VAL A 92 -4.328 4.628 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.648 6.637 -11.349 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.629 8.094 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.049 7.777 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.647 7.612 -10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.949 6.162 -9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.307 7.510 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.024 5.796 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.679 6.959 -7.659 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.026 5.719 -9.512 1.00 0.00 N ATOM 1467 CA ASP A 93 0.446 5.931 -9.322 1.00 0.00 C ATOM 1468 C ASP A 93 1.278 4.897 -8.573 1.00 0.00 C ATOM 1469 O ASP A 93 0.621 4.015 -7.955 1.00 0.00 O ATOM 1470 CB ASP A 93 0.628 7.299 -8.593 1.00 0.00 C ATOM 1471 CG ASP A 93 1.782 8.239 -9.249 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.956 8.223 -8.848 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.270 9.218 -10.139 1.00 0.00 O ATOM 0 H ASP A 93 -1.427 5.052 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 93 0.836 5.862 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.319 7.838 -8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.873 7.114 -7.547 1.00 0.00 H new ATOM 1479 N LYS A 94 2.618 4.984 -8.597 1.00 0.00 N ATOM 1480 CA LYS A 94 3.518 3.926 -8.071 1.00 0.00 C ATOM 1481 C LYS A 94 4.986 4.454 -7.830 1.00 0.00 C ATOM 1482 O LYS A 94 5.565 5.167 -8.690 1.00 0.00 O ATOM 1483 CB LYS A 94 3.498 2.699 -8.944 1.00 0.00 C ATOM 1484 CG LYS A 94 4.068 2.843 -10.432 1.00 0.00 C ATOM 1485 CD LYS A 94 3.070 3.188 -11.574 1.00 0.00 C ATOM 1486 CE LYS A 94 1.898 2.276 -11.705 1.00 0.00 C ATOM 1487 NZ LYS A 94 0.838 2.992 -12.378 1.00 0.00 N ATOM 0 H LYS A 94 3.115 5.788 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 94 3.130 3.636 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.067 1.918 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.467 2.350 -9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.838 3.614 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.559 1.905 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.702 4.202 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.614 3.189 -12.519 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.172 1.385 -12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.566 1.941 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.207 2.314 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.296 3.543 -11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.248 3.635 -13.086 1.00 0.00 H new ATOM 1500 N THR A 95 5.526 4.243 -6.667 1.00 0.00 N ATOM 1501 CA THR A 95 6.804 4.755 -6.200 1.00 0.00 C ATOM 1502 C THR A 95 7.412 3.648 -5.248 1.00 0.00 C ATOM 1503 O THR A 95 6.729 2.875 -4.560 1.00 0.00 O ATOM 1504 CB THR A 95 6.596 6.131 -5.562 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.110 7.113 -6.431 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.776 6.763 -4.914 1.00 0.00 C ATOM 0 H THR A 95 5.062 3.670 -5.962 1.00 0.00 H new ATOM 0 HA THR A 95 7.525 4.930 -6.998 1.00 0.00 H new ATOM 0 HB THR A 95 5.865 5.844 -4.806 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.854 7.907 -5.917 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.490 7.732 -4.504 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.137 6.121 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.566 6.900 -5.652 1.00 0.00 H new ATOM 1514 N VAL A 96 8.721 3.613 -5.269 1.00 0.00 N ATOM 1515 CA VAL A 96 9.523 2.533 -4.756 1.00 0.00 C ATOM 1516 C VAL A 96 10.787 3.242 -4.041 1.00 0.00 C ATOM 1517 O VAL A 96 11.635 3.746 -4.745 1.00 0.00 O ATOM 1518 CB VAL A 96 9.909 1.495 -5.855 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.109 1.854 -7.372 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.826 0.363 -5.418 1.00 0.00 C ATOM 0 H VAL A 96 9.280 4.370 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 96 8.974 1.925 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 96 8.869 1.173 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.374 0.954 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.184 2.269 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.908 2.589 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.024 -0.293 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.766 0.777 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.347 -0.207 -4.622 1.00 0.00 H new ATOM 1530 N GLY A 97 10.639 3.337 -2.755 1.00 0.00 N ATOM 1531 CA GLY A 97 11.715 3.701 -1.819 1.00 0.00 C ATOM 1532 C GLY A 97 11.060 3.831 -0.411 1.00 0.00 C ATOM 1533 O GLY A 97 10.273 4.748 -0.123 1.00 0.00 O ATOM 0 H GLY A 97 9.747 3.162 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.496 2.941 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.185 4.639 -2.115 1.00 0.00 H new ATOM 1537 N ALA A 98 11.610 2.992 0.483 1.00 0.00 N ATOM 1538 CA ALA A 98 11.533 3.159 1.976 1.00 0.00 C ATOM 1539 C ALA A 98 12.303 4.345 2.440 1.00 0.00 C ATOM 1540 O ALA A 98 13.509 4.275 2.603 1.00 0.00 O ATOM 1541 CB ALA A 98 11.723 1.888 2.737 1.00 0.00 C ATOM 0 H ALA A 98 12.132 2.162 0.203 1.00 0.00 H new ATOM 0 HA ALA A 98 10.502 3.404 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.654 2.090 3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.950 1.174 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.704 1.471 2.509 1.00 0.00 H new ATOM 1547 N ASP A 99 11.627 5.447 2.736 1.00 0.00 N ATOM 1548 CA ASP A 99 12.236 6.760 3.014 1.00 0.00 C ATOM 1549 C ASP A 99 11.155 7.392 3.948 1.00 0.00 C ATOM 1550 O ASP A 99 9.980 7.621 3.575 1.00 0.00 O ATOM 1551 CB ASP A 99 12.525 7.500 1.699 1.00 0.00 C ATOM 1552 CG ASP A 99 13.147 8.903 1.841 1.00 0.00 C ATOM 1553 OD1 ASP A 99 12.483 9.908 1.682 1.00 0.00 O ATOM 1554 OD2 ASP A 99 14.490 8.907 2.255 1.00 0.00 O ATOM 0 H ASP A 99 10.609 5.462 2.793 1.00 0.00 H new ATOM 0 HA ASP A 99 13.216 6.765 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.195 6.885 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.592 7.592 1.143 1.00 0.00 H new ATOM 1560 N LYS A 100 11.558 7.616 5.165 1.00 0.00 N ATOM 1561 CA LYS A 100 10.712 8.174 6.300 1.00 0.00 C ATOM 1562 C LYS A 100 9.788 9.405 6.022 1.00 0.00 C ATOM 1563 O LYS A 100 8.571 9.389 6.257 1.00 0.00 O ATOM 1564 CB LYS A 100 11.646 8.380 7.552 1.00 0.00 C ATOM 1565 CG LYS A 100 12.743 9.455 7.710 1.00 0.00 C ATOM 1566 CD LYS A 100 14.056 9.030 6.975 1.00 0.00 C ATOM 1567 CE LYS A 100 15.273 9.999 7.158 1.00 0.00 C ATOM 1568 NZ LYS A 100 16.521 9.506 6.576 1.00 0.00 N ATOM 0 H LYS A 100 12.517 7.423 5.456 1.00 0.00 H new ATOM 0 HA LYS A 100 9.947 7.418 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.974 8.522 8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.149 7.425 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.388 10.404 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.950 9.615 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.345 8.040 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.843 8.939 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.029 10.961 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.426 10.176 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.278 10.201 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.779 8.603 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.395 9.363 5.554 1.00 0.00 H new ATOM 1581 N ASP A 101 10.379 10.458 5.511 1.00 0.00 N ATOM 1582 CA ASP A 101 9.726 11.676 4.899 1.00 0.00 C ATOM 1583 C ASP A 101 8.961 11.408 3.612 1.00 0.00 C ATOM 1584 O ASP A 101 7.777 11.742 3.520 1.00 0.00 O ATOM 1585 CB ASP A 101 10.707 12.874 4.847 1.00 0.00 C ATOM 1586 CG ASP A 101 11.893 12.807 3.815 1.00 0.00 C ATOM 1587 OD1 ASP A 101 11.971 13.483 2.773 1.00 0.00 O ATOM 1588 OD2 ASP A 101 12.832 11.870 4.155 1.00 0.00 O ATOM 0 H ASP A 101 11.396 10.529 5.492 1.00 0.00 H new ATOM 0 HA ASP A 101 8.925 11.973 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.128 13.772 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.135 13.000 5.841 1.00 0.00 H new ATOM 1594 N GLY A 102 9.648 10.848 2.614 1.00 0.00 N ATOM 1595 CA GLY A 102 9.082 10.455 1.247 1.00 0.00 C ATOM 1596 C GLY A 102 7.621 9.918 1.109 1.00 0.00 C ATOM 1597 O GLY A 102 6.818 10.537 0.456 1.00 0.00 O ATOM 0 H GLY A 102 10.642 10.635 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.163 11.331 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.743 9.693 0.834 1.00 0.00 H new ATOM 1601 N LEU A 103 7.358 8.833 1.858 1.00 0.00 N ATOM 1602 CA LEU A 103 6.062 8.211 2.111 1.00 0.00 C ATOM 1603 C LEU A 103 4.915 9.251 2.555 1.00 0.00 C ATOM 1604 O LEU A 103 4.046 9.463 1.713 1.00 0.00 O ATOM 1605 CB LEU A 103 6.349 6.956 2.939 1.00 0.00 C ATOM 1606 CG LEU A 103 5.094 6.109 3.449 1.00 0.00 C ATOM 1607 CD1 LEU A 103 3.952 5.713 2.476 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.561 4.888 4.253 1.00 0.00 C ATOM 0 H LEU A 103 8.109 8.335 2.336 1.00 0.00 H new ATOM 0 HA LEU A 103 5.555 7.859 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.981 6.297 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.931 7.254 3.811 1.00 0.00 H new ATOM 0 HG LEU A 103 4.585 6.858 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.196 5.142 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.499 6.613 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.357 5.105 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.693 4.322 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.184 4.253 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.138 5.220 5.116 1.00 0.00 H new ATOM 1620 N PRO A 104 4.921 10.012 3.692 1.00 0.00 N ATOM 1621 CA PRO A 104 4.008 11.131 3.930 1.00 0.00 C ATOM 1622 C PRO A 104 3.762 12.223 2.863 1.00 0.00 C ATOM 1623 O PRO A 104 2.591 12.431 2.538 1.00 0.00 O ATOM 1624 CB PRO A 104 4.564 11.730 5.256 1.00 0.00 C ATOM 1625 CG PRO A 104 5.215 10.549 6.011 1.00 0.00 C ATOM 1626 CD PRO A 104 5.758 9.700 4.880 1.00 0.00 C ATOM 0 HA PRO A 104 2.995 10.729 3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.293 12.515 5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.766 12.180 5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.005 10.883 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.490 10.004 6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.806 9.929 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.704 8.640 5.128 1.00 0.00 H new ATOM 1634 N THR A 105 4.874 12.681 2.249 1.00 0.00 N ATOM 1635 CA THR A 105 4.914 13.654 1.129 1.00 0.00 C ATOM 1636 C THR A 105 3.940 13.354 -0.046 1.00 0.00 C ATOM 1637 O THR A 105 2.971 14.065 -0.390 1.00 0.00 O ATOM 1638 CB THR A 105 6.411 14.012 0.732 1.00 0.00 C ATOM 1639 OG1 THR A 105 7.241 14.239 1.865 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.580 15.149 -0.283 1.00 0.00 C ATOM 0 H THR A 105 5.806 12.373 2.528 1.00 0.00 H new ATOM 0 HA THR A 105 4.484 14.583 1.503 1.00 0.00 H new ATOM 0 HB THR A 105 6.742 13.109 0.219 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.474 13.381 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.640 15.307 -0.479 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.074 14.886 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.146 16.064 0.120 1.00 0.00 H new ATOM 1648 N LEU A 106 4.218 12.185 -0.610 1.00 0.00 N ATOM 1649 CA LEU A 106 3.461 11.503 -1.690 1.00 0.00 C ATOM 1650 C LEU A 106 1.976 11.126 -1.311 1.00 0.00 C ATOM 1651 O LEU A 106 1.143 11.584 -2.061 1.00 0.00 O ATOM 1652 CB LEU A 106 4.351 10.321 -2.120 1.00 0.00 C ATOM 1653 CG LEU A 106 3.737 9.280 -3.126 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.579 9.659 -4.560 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.734 8.111 -3.161 1.00 0.00 C ATOM 0 H LEU A 106 5.029 11.640 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 106 3.282 12.172 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.258 10.728 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.653 9.783 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 106 2.727 9.112 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.142 8.826 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.925 10.528 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.554 9.901 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.371 7.343 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.705 8.471 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.834 7.688 -2.161 1.00 0.00 H new ATOM 1667 N VAL A 107 1.639 10.358 -0.229 1.00 0.00 N ATOM 1668 CA VAL A 107 0.226 10.290 0.278 1.00 0.00 C ATOM 1669 C VAL A 107 -0.543 11.637 0.418 1.00 0.00 C ATOM 1670 O VAL A 107 -1.720 11.634 0.120 1.00 0.00 O ATOM 1671 CB VAL A 107 0.142 9.361 1.514 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.160 9.393 2.394 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.455 7.862 1.163 1.00 0.00 C ATOM 0 H VAL A 107 2.304 9.792 0.297 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.349 9.835 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 107 0.916 9.811 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.060 8.686 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.305 10.397 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.019 9.118 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.382 7.254 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.263 7.504 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.463 7.787 0.755 1.00 0.00 H new ATOM 1683 N ALA A 108 0.087 12.763 0.902 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.487 14.103 1.009 1.00 0.00 C ATOM 1685 C ALA A 108 -1.025 14.795 -0.271 1.00 0.00 C ATOM 1686 O ALA A 108 -2.127 15.312 -0.306 1.00 0.00 O ATOM 1687 CB ALA A 108 0.568 14.851 1.781 1.00 0.00 C ATOM 0 H ALA A 108 1.050 12.731 1.236 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.455 14.069 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.249 15.883 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.715 14.376 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.505 14.836 1.224 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.151 14.732 -1.291 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.473 15.027 -2.699 1.00 0.00 C ATOM 1695 C LYS A 109 -1.591 14.010 -3.283 1.00 0.00 C ATOM 1696 O LYS A 109 -2.598 14.445 -3.909 1.00 0.00 O ATOM 1697 CB LYS A 109 0.794 14.870 -3.565 1.00 0.00 C ATOM 1698 CG LYS A 109 1.797 16.033 -3.608 1.00 0.00 C ATOM 1699 CD LYS A 109 2.969 15.924 -4.588 1.00 0.00 C ATOM 1700 CE LYS A 109 2.622 15.716 -6.098 1.00 0.00 C ATOM 1701 NZ LYS A 109 3.903 15.612 -6.913 1.00 0.00 N ATOM 0 H LYS A 109 0.825 14.468 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.857 16.047 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.326 13.985 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.475 14.669 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.246 16.943 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.208 16.159 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.567 16.831 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.600 15.094 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.027 14.811 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.017 16.548 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.666 15.474 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.455 16.487 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.465 14.804 -6.576 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.600 12.676 -3.045 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.769 11.758 -3.303 1.00 0.00 C ATOM 1716 C HIS A 110 -4.181 12.115 -2.662 1.00 0.00 C ATOM 1717 O HIS A 110 -5.168 12.314 -3.373 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.301 10.333 -3.068 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.730 9.687 -4.349 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.492 9.373 -5.453 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.413 9.772 -4.701 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.460 9.338 -6.373 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.118 9.460 -6.038 1.00 0.00 N ATOM 0 H HIS A 110 -0.791 12.187 -2.663 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.049 11.909 -4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.538 10.327 -2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.135 9.734 -2.702 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.353 10.061 -3.996 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.713 9.208 -7.415 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.751 9.361 -6.563 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.155 12.215 -1.339 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.307 12.667 -0.444 1.00 0.00 C ATOM 1733 C ALA A 111 -6.001 14.029 -0.723 1.00 0.00 C ATOM 1734 O ALA A 111 -7.262 14.162 -0.590 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.836 12.670 0.992 1.00 0.00 C ATOM 0 H ALA A 111 -3.319 11.984 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.083 11.937 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.650 12.991 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.522 11.665 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.995 13.356 1.098 1.00 0.00 H new ATOM 1741 N THR A 112 -5.269 15.112 -1.074 1.00 0.00 N ATOM 1742 CA THR A 112 -5.649 16.446 -1.627 1.00 0.00 C ATOM 1743 C THR A 112 -6.146 16.343 -3.123 1.00 0.00 C ATOM 1744 O THR A 112 -7.269 16.634 -3.536 1.00 0.00 O ATOM 1745 CB THR A 112 -4.421 17.440 -1.393 1.00 0.00 C ATOM 1746 OG1 THR A 112 -4.150 17.546 -0.006 1.00 0.00 O ATOM 1747 CG2 THR A 112 -4.611 18.897 -1.886 1.00 0.00 C ATOM 0 H THR A 112 -4.256 15.070 -0.962 1.00 0.00 H new ATOM 0 HA THR A 112 -6.513 16.856 -1.103 1.00 0.00 H new ATOM 0 HB THR A 112 -3.620 16.991 -1.981 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.456 16.900 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.711 19.474 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.794 18.897 -2.960 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.461 19.347 -1.373 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.208 15.939 -4.029 1.00 0.00 N ATOM 1756 CA ALA A 113 -5.514 15.525 -5.417 1.00 0.00 C ATOM 1757 C ALA A 113 -6.363 14.197 -5.575 1.00 0.00 C ATOM 1758 O ALA A 113 -5.881 13.096 -5.831 1.00 0.00 O ATOM 1759 CB ALA A 113 -4.263 15.675 -6.334 1.00 0.00 C ATOM 1760 OXT ALA A 113 -7.692 14.484 -5.445 1.00 0.00 O ATOM 0 H ALA A 113 -4.213 15.894 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.244 16.238 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.516 15.364 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.941 16.716 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.456 15.049 -5.953 1.00 0.00 H new TER 1767 ALA A 113