USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 753 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 114:sc= 0.963 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.97! K(o=-2!,f=-0.7) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= -2.37 (180deg=-4.67!) USER MOD Single : A 29 HIS : no HE2:sc= -0.198! C(o=-0.2!,f=-8.1!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 43 ASN : amide:sc= -0.463 K(o=-0.46,f=-6.4!) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= -0.0337 (180deg=-0.371) USER MOD Single : A 55 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.453 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0226 K(o=-0.023,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.47) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.644) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.755 -20.624 -2.250 1.00 0.00 N ATOM 2 CA MET A 1 -4.639 -20.779 -3.727 1.00 0.00 C ATOM 3 C MET A 1 -3.157 -20.744 -4.117 1.00 0.00 C ATOM 4 O MET A 1 -2.456 -21.749 -3.997 1.00 0.00 O ATOM 5 CB MET A 1 -5.421 -19.650 -4.416 1.00 0.00 C ATOM 6 CG MET A 1 -5.384 -19.840 -5.939 1.00 0.00 C ATOM 7 SD MET A 1 -6.385 -18.560 -6.737 1.00 0.00 S ATOM 8 CE MET A 1 -5.896 -18.931 -8.440 1.00 0.00 C ATOM 0 H1 MET A 1 -5.758 -20.647 -1.976 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.250 -21.401 -1.779 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.338 -19.716 -1.962 1.00 0.00 H new ATOM 0 HA MET A 1 -5.060 -21.733 -4.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.453 -19.646 -4.067 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.991 -18.684 -4.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.356 -19.787 -6.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.763 -20.828 -6.201 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.404 -18.248 -9.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.818 -18.811 -8.543 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.172 -19.957 -8.682 1.00 0.00 H new ATOM 20 N GLU A 2 -2.682 -19.587 -4.580 1.00 0.00 N ATOM 21 CA GLU A 2 -1.285 -19.445 -4.977 1.00 0.00 C ATOM 22 C GLU A 2 -0.956 -17.968 -5.212 1.00 0.00 C ATOM 23 O GLU A 2 -0.784 -17.540 -6.354 1.00 0.00 O ATOM 24 CB GLU A 2 -1.015 -20.258 -6.255 1.00 0.00 C ATOM 25 CG GLU A 2 0.497 -20.353 -6.520 1.00 0.00 C ATOM 26 CD GLU A 2 1.167 -21.250 -5.481 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.644 -22.321 -5.226 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.195 -20.851 -4.958 1.00 0.00 O ATOM 0 H GLU A 2 -3.242 -18.741 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.649 -19.825 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.436 -21.258 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.511 -19.788 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.673 -20.750 -7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.941 -19.358 -6.490 1.00 0.00 H new ATOM 35 N PRO A 3 -0.864 -17.186 -4.161 1.00 0.00 N ATOM 36 CA PRO A 3 -0.545 -15.728 -4.270 1.00 0.00 C ATOM 37 C PRO A 3 0.771 -15.484 -5.011 1.00 0.00 C ATOM 38 O PRO A 3 1.526 -16.418 -5.280 1.00 0.00 O ATOM 39 CB PRO A 3 -0.468 -15.251 -2.799 1.00 0.00 C ATOM 40 CG PRO A 3 -1.274 -16.259 -2.032 1.00 0.00 C ATOM 41 CD PRO A 3 -1.055 -17.593 -2.756 1.00 0.00 C ATOM 0 HA PRO A 3 -1.293 -15.184 -4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.563 -15.217 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.877 -14.247 -2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -0.946 -16.317 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.330 -15.989 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.185 -18.123 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.911 -18.258 -2.642 1.00 0.00 H new ATOM 49 N THR A 4 1.032 -14.222 -5.340 1.00 0.00 N ATOM 50 CA THR A 4 2.253 -13.858 -6.050 1.00 0.00 C ATOM 51 C THR A 4 3.446 -13.893 -5.104 1.00 0.00 C ATOM 52 O THR A 4 4.594 -13.989 -5.537 1.00 0.00 O ATOM 53 CB THR A 4 2.108 -12.453 -6.639 1.00 0.00 C ATOM 54 OG1 THR A 4 1.781 -11.542 -5.599 1.00 0.00 O ATOM 55 CG2 THR A 4 0.998 -12.447 -7.690 1.00 0.00 C ATOM 0 H THR A 4 0.416 -13.437 -5.127 1.00 0.00 H new ATOM 0 HA THR A 4 2.418 -14.576 -6.854 1.00 0.00 H new ATOM 0 HB THR A 4 3.047 -12.156 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.523 -10.915 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.897 -11.445 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.247 -13.148 -8.486 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.057 -12.743 -7.227 1.00 0.00 H new ATOM 63 N ALA A 5 3.163 -13.824 -3.808 1.00 0.00 N ATOM 64 CA ALA A 5 4.216 -13.854 -2.799 1.00 0.00 C ATOM 65 C ALA A 5 5.289 -12.814 -3.100 1.00 0.00 C ATOM 66 O ALA A 5 6.249 -13.087 -3.818 1.00 0.00 O ATOM 67 CB ALA A 5 4.852 -15.245 -2.755 1.00 0.00 C ATOM 0 H ALA A 5 2.218 -13.747 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 5 3.769 -13.622 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.638 -15.262 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.092 -15.985 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.280 -15.480 -3.729 1.00 0.00 H new ATOM 73 N PHE A 6 5.118 -11.620 -2.538 1.00 0.00 N ATOM 74 CA PHE A 6 6.080 -10.534 -2.740 1.00 0.00 C ATOM 75 C PHE A 6 7.302 -10.747 -1.844 1.00 0.00 C ATOM 76 O PHE A 6 7.182 -11.199 -0.706 1.00 0.00 O ATOM 77 CB PHE A 6 5.405 -9.168 -2.427 1.00 0.00 C ATOM 78 CG PHE A 6 4.775 -8.581 -3.689 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.002 -9.396 -4.527 1.00 0.00 C ATOM 80 CD2 PHE A 6 4.973 -7.229 -4.024 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.431 -8.867 -5.689 1.00 0.00 C ATOM 82 CE2 PHE A 6 4.399 -6.703 -5.186 1.00 0.00 C ATOM 83 CZ PHE A 6 3.628 -7.523 -6.019 1.00 0.00 C ATOM 0 H PHE A 6 4.327 -11.378 -1.941 1.00 0.00 H new ATOM 0 HA PHE A 6 6.408 -10.531 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.642 -9.300 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.144 -8.474 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.847 -10.435 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.569 -6.596 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.837 -9.498 -6.333 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.550 -5.664 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.185 -7.117 -6.917 1.00 0.00 H new ATOM 93 N SER A 7 8.476 -10.410 -2.378 1.00 0.00 N ATOM 94 CA SER A 7 9.733 -10.552 -1.640 1.00 0.00 C ATOM 95 C SER A 7 10.023 -9.281 -0.853 1.00 0.00 C ATOM 96 O SER A 7 9.239 -8.336 -0.877 1.00 0.00 O ATOM 97 CB SER A 7 10.881 -10.806 -2.614 1.00 0.00 C ATOM 98 OG SER A 7 10.596 -11.965 -3.388 1.00 0.00 O ATOM 0 H SER A 7 8.584 -10.036 -3.321 1.00 0.00 H new ATOM 0 HA SER A 7 9.641 -11.393 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.016 -9.944 -3.267 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.814 -10.941 -2.067 1.00 0.00 H new ATOM 0 HG SER A 7 11.331 -12.129 -4.015 1.00 0.00 H new ATOM 104 N GLY A 8 11.155 -9.269 -0.158 1.00 0.00 N ATOM 105 CA GLY A 8 11.550 -8.107 0.637 1.00 0.00 C ATOM 106 C GLY A 8 12.139 -7.010 -0.244 1.00 0.00 C ATOM 107 O GLY A 8 12.110 -5.832 0.114 1.00 0.00 O ATOM 0 H GLY A 8 11.815 -10.046 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.684 -7.720 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.282 -8.408 1.386 1.00 0.00 H new ATOM 111 N SER A 9 12.683 -7.405 -1.392 1.00 0.00 N ATOM 112 CA SER A 9 13.291 -6.452 -2.320 1.00 0.00 C ATOM 113 C SER A 9 12.218 -5.687 -3.084 1.00 0.00 C ATOM 114 O SER A 9 12.525 -4.777 -3.854 1.00 0.00 O ATOM 115 CB SER A 9 14.190 -7.193 -3.307 1.00 0.00 C ATOM 116 OG SER A 9 13.384 -7.956 -4.194 1.00 0.00 O ATOM 0 H SER A 9 12.716 -8.376 -1.703 1.00 0.00 H new ATOM 0 HA SER A 9 13.886 -5.742 -1.745 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.797 -6.482 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.879 -7.846 -2.770 1.00 0.00 H new ATOM 0 HG SER A 9 13.958 -8.432 -4.830 1.00 0.00 H new ATOM 122 N ASP A 10 10.962 -6.061 -2.872 1.00 0.00 N ATOM 123 CA ASP A 10 9.862 -5.395 -3.557 1.00 0.00 C ATOM 124 C ASP A 10 9.750 -3.953 -3.081 1.00 0.00 C ATOM 125 O ASP A 10 9.972 -3.667 -1.904 1.00 0.00 O ATOM 126 CB ASP A 10 8.540 -6.126 -3.280 1.00 0.00 C ATOM 127 CG ASP A 10 8.188 -6.054 -1.794 1.00 0.00 C ATOM 128 OD1 ASP A 10 9.066 -5.732 -1.011 1.00 0.00 O ATOM 129 OD2 ASP A 10 7.042 -6.313 -1.465 1.00 0.00 O ATOM 0 H ASP A 10 10.682 -6.811 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 10 10.062 -5.411 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.740 -5.680 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.622 -7.168 -3.590 1.00 0.00 H new ATOM 134 N VAL A 11 9.402 -3.046 -3.996 1.00 0.00 N ATOM 135 CA VAL A 11 9.254 -1.624 -3.656 1.00 0.00 C ATOM 136 C VAL A 11 7.911 -1.095 -4.188 1.00 0.00 C ATOM 137 O VAL A 11 7.775 -0.852 -5.387 1.00 0.00 O ATOM 138 CB VAL A 11 10.421 -0.822 -4.263 1.00 0.00 C ATOM 139 CG1 VAL A 11 11.731 -1.329 -3.644 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.472 -0.976 -5.812 1.00 0.00 C ATOM 0 H VAL A 11 9.217 -3.266 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 11 9.271 -1.509 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 11 10.278 0.236 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.570 -0.773 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.702 -1.186 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.852 -2.389 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.307 -0.398 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.605 -2.027 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.540 -0.611 -6.245 1.00 0.00 H new ATOM 150 N PRO A 12 6.901 -0.918 -3.347 1.00 0.00 N ATOM 151 CA PRO A 12 5.583 -0.418 -3.822 1.00 0.00 C ATOM 152 C PRO A 12 5.607 1.082 -4.098 1.00 0.00 C ATOM 153 O PRO A 12 6.295 1.841 -3.417 1.00 0.00 O ATOM 154 CB PRO A 12 4.616 -0.797 -2.681 1.00 0.00 C ATOM 155 CG PRO A 12 5.461 -0.809 -1.434 1.00 0.00 C ATOM 156 CD PRO A 12 6.892 -1.165 -1.880 1.00 0.00 C ATOM 0 HA PRO A 12 5.284 -0.854 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.803 -0.076 -2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.161 -1.772 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.439 0.163 -0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.085 -1.539 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.631 -0.548 -1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.132 -2.204 -1.651 1.00 0.00 H new ATOM 164 N ARG A 13 4.846 1.495 -5.109 1.00 0.00 N ATOM 165 CA ARG A 13 4.767 2.904 -5.487 1.00 0.00 C ATOM 166 C ARG A 13 3.445 3.175 -6.196 1.00 0.00 C ATOM 167 O ARG A 13 2.939 2.329 -6.935 1.00 0.00 O ATOM 168 CB ARG A 13 5.945 3.268 -6.395 1.00 0.00 C ATOM 169 CG ARG A 13 5.911 4.767 -6.697 1.00 0.00 C ATOM 170 CD ARG A 13 7.132 5.154 -7.525 1.00 0.00 C ATOM 171 NE ARG A 13 7.170 6.603 -7.697 1.00 0.00 N ATOM 172 CZ ARG A 13 6.430 7.209 -8.621 1.00 0.00 C ATOM 173 NH1 ARG A 13 6.488 8.504 -8.754 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.641 6.508 -9.388 1.00 0.00 N ATOM 0 H ARG A 13 4.275 0.873 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 13 4.816 3.520 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.886 3.005 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.893 2.698 -7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.999 5.018 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.896 5.335 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.042 4.813 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.094 4.663 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 13 7.776 7.162 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.101 9.052 -8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.921 8.970 -9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.592 5.495 -9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.073 6.973 -10.097 1.00 0.00 H new ATOM 188 N LEU A 14 2.886 4.355 -5.956 1.00 0.00 N ATOM 189 CA LEU A 14 1.616 4.723 -6.563 1.00 0.00 C ATOM 190 C LEU A 14 1.747 4.813 -8.096 1.00 0.00 C ATOM 191 O LEU A 14 2.476 5.668 -8.595 1.00 0.00 O ATOM 192 CB LEU A 14 1.162 6.075 -6.000 1.00 0.00 C ATOM 193 CG LEU A 14 1.148 6.028 -4.459 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.700 7.392 -3.919 1.00 0.00 C ATOM 195 CD2 LEU A 14 0.179 4.929 -3.959 1.00 0.00 C ATOM 0 H LEU A 14 3.290 5.068 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 14 0.878 3.956 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.832 6.864 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.167 6.318 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 14 2.151 5.796 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.688 7.366 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.394 8.162 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.300 7.619 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.182 4.910 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.829 5.143 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.501 3.960 -4.340 1.00 0.00 H new ATOM 207 N PRO A 15 1.078 3.960 -8.864 1.00 0.00 N ATOM 208 CA PRO A 15 1.179 3.996 -10.350 1.00 0.00 C ATOM 209 C PRO A 15 0.307 5.098 -10.949 1.00 0.00 C ATOM 210 O PRO A 15 -0.678 5.521 -10.344 1.00 0.00 O ATOM 211 CB PRO A 15 0.708 2.592 -10.768 1.00 0.00 C ATOM 212 CG PRO A 15 -0.303 2.213 -9.725 1.00 0.00 C ATOM 213 CD PRO A 15 0.158 2.887 -8.421 1.00 0.00 C ATOM 0 HA PRO A 15 2.184 4.225 -10.705 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.267 2.601 -11.765 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.538 1.885 -10.793 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.300 2.551 -10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.355 1.131 -9.607 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.686 3.293 -7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.662 2.178 -7.764 1.00 0.00 H new ATOM 221 N ARG A 16 0.675 5.547 -12.141 1.00 0.00 N ATOM 222 CA ARG A 16 -0.082 6.593 -12.818 1.00 0.00 C ATOM 223 C ARG A 16 -1.530 6.157 -13.004 1.00 0.00 C ATOM 224 O ARG A 16 -1.803 5.005 -13.337 1.00 0.00 O ATOM 225 CB ARG A 16 0.550 6.893 -14.180 1.00 0.00 C ATOM 226 CG ARG A 16 -0.189 8.053 -14.861 1.00 0.00 C ATOM 227 CD ARG A 16 0.496 8.380 -16.188 1.00 0.00 C ATOM 228 NE ARG A 16 1.844 8.884 -15.946 1.00 0.00 N ATOM 229 CZ ARG A 16 2.046 10.099 -15.443 1.00 0.00 C ATOM 230 NH1 ARG A 16 3.262 10.522 -15.233 1.00 0.00 N ATOM 231 NH2 ARG A 16 1.029 10.866 -15.159 1.00 0.00 N ATOM 0 H ARG A 16 1.487 5.207 -12.657 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.061 7.495 -12.207 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.602 7.147 -14.053 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.510 6.005 -14.812 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.231 7.784 -15.033 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.189 8.929 -14.213 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.540 7.488 -16.813 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.086 9.123 -16.733 1.00 0.00 H new ATOM 0 HE ARG A 16 2.646 8.294 -16.167 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.056 9.922 -15.454 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.419 11.453 -14.847 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.079 10.534 -15.323 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.185 11.797 -14.773 1.00 0.00 H new ATOM 245 N GLY A 17 -2.460 7.090 -12.793 1.00 0.00 N ATOM 246 CA GLY A 17 -3.887 6.800 -12.946 1.00 0.00 C ATOM 247 C GLY A 17 -4.492 6.332 -11.629 1.00 0.00 C ATOM 248 O GLY A 17 -5.675 6.000 -11.567 1.00 0.00 O ATOM 0 H GLY A 17 -2.252 8.050 -12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.408 7.692 -13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.026 6.033 -13.708 1.00 0.00 H new ATOM 252 N VAL A 18 -3.673 6.315 -10.574 1.00 0.00 N ATOM 253 CA VAL A 18 -4.127 5.895 -9.240 1.00 0.00 C ATOM 254 C VAL A 18 -3.696 6.919 -8.200 1.00 0.00 C ATOM 255 O VAL A 18 -2.530 7.307 -8.141 1.00 0.00 O ATOM 256 CB VAL A 18 -3.526 4.529 -8.892 1.00 0.00 C ATOM 257 CG1 VAL A 18 -4.051 4.067 -7.527 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.925 3.511 -9.969 1.00 0.00 C ATOM 0 H VAL A 18 -2.691 6.587 -10.615 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.214 5.821 -9.244 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.440 4.609 -8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.622 3.095 -7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.767 4.792 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.137 3.985 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.499 2.538 -9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.011 3.432 -10.010 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.548 3.839 -10.938 1.00 0.00 H new ATOM 268 N ARG A 19 -4.650 7.349 -7.375 1.00 0.00 N ATOM 269 CA ARG A 19 -4.386 8.332 -6.319 1.00 0.00 C ATOM 270 C ARG A 19 -5.083 7.914 -5.035 1.00 0.00 C ATOM 271 O ARG A 19 -6.064 7.173 -5.060 1.00 0.00 O ATOM 272 CB ARG A 19 -4.879 9.715 -6.757 1.00 0.00 C ATOM 273 CG ARG A 19 -4.004 10.228 -7.904 1.00 0.00 C ATOM 274 CD ARG A 19 -4.553 11.557 -8.413 1.00 0.00 C ATOM 275 NE ARG A 19 -4.510 12.556 -7.351 1.00 0.00 N ATOM 276 CZ ARG A 19 -5.028 13.767 -7.524 1.00 0.00 C ATOM 277 NH1 ARG A 19 -4.973 14.642 -6.560 1.00 0.00 N ATOM 278 NH2 ARG A 19 -5.593 14.078 -8.659 1.00 0.00 N ATOM 0 H ARG A 19 -5.618 7.031 -7.416 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.312 8.380 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.920 9.658 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.841 10.409 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.977 10.355 -7.562 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.983 9.498 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.968 11.898 -9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.578 11.427 -8.760 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.074 12.320 -6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.532 14.397 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.370 15.572 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.636 13.391 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.991 15.008 -8.793 1.00 0.00 H new ATOM 292 N LEU A 20 -4.560 8.391 -3.910 1.00 0.00 N ATOM 293 CA LEU A 20 -5.124 8.063 -2.600 1.00 0.00 C ATOM 294 C LEU A 20 -6.169 9.097 -2.212 1.00 0.00 C ATOM 295 O LEU A 20 -5.983 10.293 -2.437 1.00 0.00 O ATOM 296 CB LEU A 20 -4.007 8.050 -1.550 1.00 0.00 C ATOM 297 CG LEU A 20 -2.820 7.213 -2.051 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.757 7.159 -0.950 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.282 5.786 -2.412 1.00 0.00 C ATOM 0 H LEU A 20 -3.747 9.006 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.592 7.080 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.681 9.069 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.383 7.638 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.402 7.672 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.908 6.567 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.424 8.170 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.181 6.701 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.429 5.206 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.706 5.307 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.037 5.836 -3.197 1.00 0.00 H new ATOM 311 N ARG A 21 -7.273 8.631 -1.630 1.00 0.00 N ATOM 312 CA ARG A 21 -8.363 9.518 -1.211 1.00 0.00 C ATOM 313 C ARG A 21 -8.868 9.102 0.159 1.00 0.00 C ATOM 314 O ARG A 21 -9.008 7.914 0.445 1.00 0.00 O ATOM 315 CB ARG A 21 -9.510 9.440 -2.221 1.00 0.00 C ATOM 316 CG ARG A 21 -9.010 9.900 -3.591 1.00 0.00 C ATOM 317 CD ARG A 21 -10.141 9.803 -4.613 1.00 0.00 C ATOM 318 NE ARG A 21 -11.207 10.744 -4.273 1.00 0.00 N ATOM 319 CZ ARG A 21 -11.122 12.032 -4.596 1.00 0.00 C ATOM 320 NH1 ARG A 21 -12.090 12.848 -4.285 1.00 0.00 N ATOM 321 NH2 ARG A 21 -10.068 12.479 -5.222 1.00 0.00 N ATOM 0 H ARG A 21 -7.439 7.643 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.990 10.541 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.887 8.419 -2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.340 10.067 -1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.649 10.927 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.168 9.284 -3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.759 10.019 -5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.535 8.787 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.033 10.406 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.913 12.499 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.024 13.835 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.310 11.841 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.003 13.466 -5.470 1.00 0.00 H new ATOM 335 N PHE A 22 -9.140 10.091 1.009 1.00 0.00 N ATOM 336 CA PHE A 22 -9.631 9.829 2.363 1.00 0.00 C ATOM 337 C PHE A 22 -11.146 9.979 2.408 1.00 0.00 C ATOM 338 O PHE A 22 -11.682 11.056 2.153 1.00 0.00 O ATOM 339 CB PHE A 22 -8.974 10.803 3.345 1.00 0.00 C ATOM 340 CG PHE A 22 -9.384 12.220 3.002 1.00 0.00 C ATOM 341 CD1 PHE A 22 -10.430 12.840 3.698 1.00 0.00 C ATOM 342 CD2 PHE A 22 -8.721 12.902 1.980 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.811 14.146 3.369 1.00 0.00 C ATOM 344 CE2 PHE A 22 -9.099 14.209 1.651 1.00 0.00 C ATOM 345 CZ PHE A 22 -10.144 14.831 2.346 1.00 0.00 C ATOM 0 H PHE A 22 -9.029 11.080 0.785 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.374 8.809 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.273 10.564 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.889 10.706 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.942 12.311 4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.917 12.421 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -11.618 14.625 3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.585 14.738 0.862 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.435 15.840 2.093 1.00 0.00 H new ATOM 355 N ASP A 23 -11.834 8.888 2.734 1.00 0.00 N ATOM 356 CA ASP A 23 -13.295 8.899 2.815 1.00 0.00 C ATOM 357 C ASP A 23 -13.732 9.272 4.228 1.00 0.00 C ATOM 358 O ASP A 23 -13.646 8.460 5.150 1.00 0.00 O ATOM 359 CB ASP A 23 -13.837 7.509 2.447 1.00 0.00 C ATOM 360 CG ASP A 23 -13.710 7.263 0.945 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.326 8.181 0.238 1.00 0.00 O ATOM 362 OD2 ASP A 23 -14.018 6.161 0.524 1.00 0.00 O ATOM 0 H ASP A 23 -11.406 7.987 2.946 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.692 9.636 2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.289 6.742 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.882 7.429 2.747 1.00 0.00 H new ATOM 367 N GLU A 24 -14.201 10.503 4.385 1.00 0.00 N ATOM 368 CA GLU A 24 -14.653 10.979 5.686 1.00 0.00 C ATOM 369 C GLU A 24 -15.881 10.193 6.136 1.00 0.00 C ATOM 370 O GLU A 24 -16.055 9.915 7.322 1.00 0.00 O ATOM 371 CB GLU A 24 -14.990 12.470 5.604 1.00 0.00 C ATOM 372 CG GLU A 24 -15.299 13.012 7.002 1.00 0.00 C ATOM 373 CD GLU A 24 -15.563 14.511 6.933 1.00 0.00 C ATOM 374 OE1 GLU A 24 -16.319 14.921 6.068 1.00 0.00 O ATOM 375 OE2 GLU A 24 -15.005 15.229 7.747 1.00 0.00 O ATOM 0 H GLU A 24 -14.278 11.187 3.632 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.855 10.831 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.154 13.017 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.847 12.623 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.168 12.500 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.462 12.812 7.672 1.00 0.00 H new ATOM 382 N VAL A 25 -16.735 9.848 5.179 1.00 0.00 N ATOM 383 CA VAL A 25 -17.953 9.101 5.483 1.00 0.00 C ATOM 384 C VAL A 25 -17.612 7.719 6.048 1.00 0.00 C ATOM 385 O VAL A 25 -18.234 7.268 7.007 1.00 0.00 O ATOM 386 CB VAL A 25 -18.821 8.959 4.204 1.00 0.00 C ATOM 387 CG1 VAL A 25 -19.627 10.245 3.960 1.00 0.00 C ATOM 388 CG2 VAL A 25 -17.914 8.702 2.984 1.00 0.00 C ATOM 0 H VAL A 25 -16.609 10.071 4.192 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.518 9.649 6.237 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.506 8.122 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.231 10.131 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.279 10.433 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.943 11.085 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.528 8.603 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.225 9.537 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.347 7.784 3.139 1.00 0.00 H new ATOM 398 N ARG A 26 -16.627 7.050 5.450 1.00 0.00 N ATOM 399 CA ARG A 26 -16.224 5.718 5.910 1.00 0.00 C ATOM 400 C ARG A 26 -15.258 5.831 7.088 1.00 0.00 C ATOM 401 O ARG A 26 -15.072 4.874 7.834 1.00 0.00 O ATOM 402 CB ARG A 26 -15.555 4.960 4.760 1.00 0.00 C ATOM 403 CG ARG A 26 -16.579 4.675 3.664 1.00 0.00 C ATOM 404 CD ARG A 26 -15.892 3.947 2.511 1.00 0.00 C ATOM 405 NE ARG A 26 -16.857 3.677 1.449 1.00 0.00 N ATOM 406 CZ ARG A 26 -17.678 2.632 1.510 1.00 0.00 C ATOM 407 NH1 ARG A 26 -18.534 2.421 0.551 1.00 0.00 N ATOM 408 NH2 ARG A 26 -17.623 1.821 2.530 1.00 0.00 N ATOM 0 H ARG A 26 -16.097 7.403 4.653 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.110 5.174 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.730 5.547 4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.131 4.025 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.393 4.068 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.020 5.607 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.072 4.552 2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.458 3.012 2.866 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.903 4.302 0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.574 3.057 -0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.164 1.620 0.597 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.951 1.989 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.252 1.019 2.579 1.00 0.00 H new ATOM 422 N ASN A 27 -14.658 7.013 7.243 1.00 0.00 N ATOM 423 CA ASN A 27 -13.710 7.272 8.331 1.00 0.00 C ATOM 424 C ASN A 27 -12.405 6.509 8.113 1.00 0.00 C ATOM 425 O ASN A 27 -11.631 6.307 9.048 1.00 0.00 O ATOM 426 CB ASN A 27 -14.334 6.881 9.688 1.00 0.00 C ATOM 427 CG ASN A 27 -13.619 7.589 10.839 1.00 0.00 C ATOM 428 OD1 ASN A 27 -14.143 7.645 11.952 1.00 0.00 O ATOM 429 ND2 ASN A 27 -12.449 8.131 10.637 1.00 0.00 N ATOM 0 H ASN A 27 -14.812 7.810 6.626 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.485 8.338 8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -15.392 7.143 9.696 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.272 5.801 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.966 8.602 11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.017 8.083 9.714 1.00 0.00 H new ATOM 436 N LYS A 28 -12.163 6.098 6.869 1.00 0.00 N ATOM 437 CA LYS A 28 -10.942 5.361 6.520 1.00 0.00 C ATOM 438 C LYS A 28 -10.475 5.742 5.119 1.00 0.00 C ATOM 439 O LYS A 28 -11.216 6.350 4.349 1.00 0.00 O ATOM 440 CB LYS A 28 -11.198 3.846 6.591 1.00 0.00 C ATOM 441 CG LYS A 28 -12.537 3.527 5.914 1.00 0.00 C ATOM 442 CD LYS A 28 -12.676 2.014 5.694 1.00 0.00 C ATOM 443 CE LYS A 28 -12.551 1.263 7.033 1.00 0.00 C ATOM 444 NZ LYS A 28 -11.108 1.098 7.362 1.00 0.00 N ATOM 0 H LYS A 28 -12.794 6.261 6.084 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.163 5.624 7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.390 3.305 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.215 3.516 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.359 3.889 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.602 4.048 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.640 1.794 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.907 1.668 5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.057 1.817 7.824 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.036 0.289 6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.915 0.101 7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.531 1.388 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.869 1.689 8.183 1.00 0.00 H new ATOM 458 N HIS A 29 -9.236 5.371 4.801 1.00 0.00 N ATOM 459 CA HIS A 29 -8.657 5.667 3.491 1.00 0.00 C ATOM 460 C HIS A 29 -8.930 4.530 2.526 1.00 0.00 C ATOM 461 O HIS A 29 -9.059 3.376 2.932 1.00 0.00 O ATOM 462 CB HIS A 29 -7.149 5.864 3.625 1.00 0.00 C ATOM 463 CG HIS A 29 -6.874 7.068 4.483 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.875 7.004 5.866 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.591 8.371 4.166 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.600 8.236 6.328 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.419 9.108 5.334 1.00 0.00 N ATOM 0 H HIS A 29 -8.614 4.865 5.432 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.113 6.579 3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.694 4.978 4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.700 5.996 2.641 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -7.052 6.174 6.431 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.513 8.765 3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.534 8.489 7.376 1.00 0.00 H new ATOM 475 N VAL A 30 -9.026 4.863 1.243 1.00 0.00 N ATOM 476 CA VAL A 30 -9.295 3.862 0.208 1.00 0.00 C ATOM 477 C VAL A 30 -8.458 4.147 -1.025 1.00 0.00 C ATOM 478 O VAL A 30 -7.990 5.268 -1.218 1.00 0.00 O ATOM 479 CB VAL A 30 -10.779 3.896 -0.159 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.621 3.572 1.084 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.151 5.291 -0.684 1.00 0.00 C ATOM 0 H VAL A 30 -8.922 5.815 0.892 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.035 2.875 0.590 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.976 3.156 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.679 3.596 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.360 2.579 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.422 4.310 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.209 5.311 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.953 6.035 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.555 5.518 -1.568 1.00 0.00 H new ATOM 491 N LEU A 31 -8.280 3.128 -1.868 1.00 0.00 N ATOM 492 CA LEU A 31 -7.508 3.277 -3.104 1.00 0.00 C ATOM 493 C LEU A 31 -8.455 3.396 -4.283 1.00 0.00 C ATOM 494 O LEU A 31 -9.257 2.497 -4.535 1.00 0.00 O ATOM 495 CB LEU A 31 -6.595 2.055 -3.309 1.00 0.00 C ATOM 496 CG LEU A 31 -5.661 2.255 -4.523 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.705 3.454 -4.296 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.842 0.975 -4.723 1.00 0.00 C ATOM 0 H LEU A 31 -8.659 2.193 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.895 4.175 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.999 1.888 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.204 1.163 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.263 2.466 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.058 3.573 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.289 4.363 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.094 3.270 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.176 1.099 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.252 0.777 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.515 0.137 -4.906 1.00 0.00 H new ATOM 510 N LEU A 32 -8.353 4.500 -5.018 1.00 0.00 N ATOM 511 CA LEU A 32 -9.198 4.705 -6.189 1.00 0.00 C ATOM 512 C LEU A 32 -8.624 3.917 -7.354 1.00 0.00 C ATOM 513 O LEU A 32 -7.663 4.357 -7.986 1.00 0.00 O ATOM 514 CB LEU A 32 -9.240 6.196 -6.555 1.00 0.00 C ATOM 515 CG LEU A 32 -10.237 6.451 -7.709 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.688 6.118 -7.273 1.00 0.00 C ATOM 517 CD2 LEU A 32 -10.141 7.923 -8.123 1.00 0.00 C ATOM 0 H LEU A 32 -7.700 5.259 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.210 4.366 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.530 6.781 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.245 6.531 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.984 5.805 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.369 6.306 -8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.749 5.069 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.966 6.745 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.839 8.118 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.389 8.557 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.126 8.142 -8.455 1.00 0.00 H new ATOM 529 N ALA A 33 -9.206 2.749 -7.641 1.00 0.00 N ATOM 530 CA ALA A 33 -8.725 1.911 -8.744 1.00 0.00 C ATOM 531 C ALA A 33 -9.570 2.170 -10.005 1.00 0.00 C ATOM 532 O ALA A 33 -10.771 2.421 -9.889 1.00 0.00 O ATOM 533 CB ALA A 33 -8.835 0.432 -8.356 1.00 0.00 C ATOM 0 H ALA A 33 -10.002 2.365 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.683 2.158 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.477 -0.187 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.231 0.243 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.876 0.188 -8.145 1.00 0.00 H new ATOM 539 N PRO A 34 -9.004 2.102 -11.198 1.00 0.00 N ATOM 540 CA PRO A 34 -9.784 2.321 -12.455 1.00 0.00 C ATOM 541 C PRO A 34 -11.101 1.540 -12.476 1.00 0.00 C ATOM 542 O PRO A 34 -12.112 2.029 -12.980 1.00 0.00 O ATOM 543 CB PRO A 34 -8.841 1.802 -13.563 1.00 0.00 C ATOM 544 CG PRO A 34 -7.458 1.984 -13.015 1.00 0.00 C ATOM 545 CD PRO A 34 -7.575 1.844 -11.487 1.00 0.00 C ATOM 0 HA PRO A 34 -10.070 3.366 -12.570 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.040 0.755 -13.792 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.975 2.361 -14.489 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.777 1.237 -13.423 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.058 2.961 -13.286 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.277 0.849 -11.156 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.931 2.558 -10.973 1.00 0.00 H new ATOM 553 N GLU A 35 -11.073 0.315 -11.952 1.00 0.00 N ATOM 554 CA GLU A 35 -12.266 -0.527 -11.949 1.00 0.00 C ATOM 555 C GLU A 35 -13.272 -0.046 -10.909 1.00 0.00 C ATOM 556 O GLU A 35 -14.439 0.172 -11.230 1.00 0.00 O ATOM 557 CB GLU A 35 -11.867 -1.974 -11.639 1.00 0.00 C ATOM 558 CG GLU A 35 -13.084 -2.896 -11.778 1.00 0.00 C ATOM 559 CD GLU A 35 -12.671 -4.350 -11.560 1.00 0.00 C ATOM 560 OE1 GLU A 35 -11.574 -4.570 -11.075 1.00 0.00 O ATOM 561 OE2 GLU A 35 -13.460 -5.221 -11.884 1.00 0.00 O ATOM 0 H GLU A 35 -10.248 -0.111 -11.530 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.732 -0.469 -12.933 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.078 -2.296 -12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.464 -2.040 -10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.848 -2.614 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.526 -2.780 -12.768 1.00 0.00 H new ATOM 568 N ARG A 36 -12.811 0.123 -9.670 1.00 0.00 N ATOM 569 CA ARG A 36 -13.686 0.576 -8.591 1.00 0.00 C ATOM 570 C ARG A 36 -12.889 0.797 -7.308 1.00 0.00 C ATOM 571 O ARG A 36 -11.871 0.150 -7.079 1.00 0.00 O ATOM 572 CB ARG A 36 -14.779 -0.468 -8.326 1.00 0.00 C ATOM 573 CG ARG A 36 -15.755 0.060 -7.271 1.00 0.00 C ATOM 574 CD ARG A 36 -16.945 -0.892 -7.155 1.00 0.00 C ATOM 575 NE ARG A 36 -17.859 -0.424 -6.115 1.00 0.00 N ATOM 576 CZ ARG A 36 -18.750 0.536 -6.357 1.00 0.00 C ATOM 577 NH1 ARG A 36 -19.554 0.931 -5.410 1.00 0.00 N ATOM 578 NH2 ARG A 36 -18.817 1.082 -7.540 1.00 0.00 N ATOM 0 H ARG A 36 -11.845 -0.046 -9.391 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.141 1.518 -8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.313 -0.691 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.329 -1.400 -7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.252 0.150 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.099 1.057 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.467 -0.952 -8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.596 -1.897 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.814 -0.841 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.500 0.505 -4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.237 1.666 -5.594 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.187 0.774 -8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.500 1.817 -7.724 1.00 0.00 H new ATOM 592 N THR A 37 -13.372 1.701 -6.465 1.00 0.00 N ATOM 593 CA THR A 37 -12.703 1.989 -5.202 1.00 0.00 C ATOM 594 C THR A 37 -12.804 0.796 -4.259 1.00 0.00 C ATOM 595 O THR A 37 -13.873 0.208 -4.105 1.00 0.00 O ATOM 596 CB THR A 37 -13.346 3.216 -4.551 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.342 4.295 -5.475 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.566 3.609 -3.298 1.00 0.00 C ATOM 0 H THR A 37 -14.219 2.244 -6.631 1.00 0.00 H new ATOM 0 HA THR A 37 -11.650 2.188 -5.400 1.00 0.00 H new ATOM 0 HB THR A 37 -14.372 2.979 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.755 5.082 -5.061 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.029 4.483 -2.840 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.574 2.781 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.537 3.844 -3.569 1.00 0.00 H new ATOM 606 N PHE A 38 -11.676 0.436 -3.634 1.00 0.00 N ATOM 607 CA PHE A 38 -11.625 -0.702 -2.702 1.00 0.00 C ATOM 608 C PHE A 38 -11.488 -0.210 -1.264 1.00 0.00 C ATOM 609 O PHE A 38 -10.748 0.732 -0.985 1.00 0.00 O ATOM 610 CB PHE A 38 -10.427 -1.601 -3.058 1.00 0.00 C ATOM 611 CG PHE A 38 -10.719 -2.351 -4.345 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.279 -1.844 -5.577 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.439 -3.550 -4.301 1.00 0.00 C ATOM 614 CE1 PHE A 38 -10.563 -2.537 -6.759 1.00 0.00 C ATOM 615 CE2 PHE A 38 -11.720 -4.243 -5.483 1.00 0.00 C ATOM 616 CZ PHE A 38 -11.283 -3.737 -6.713 1.00 0.00 C ATOM 0 H PHE A 38 -10.784 0.916 -3.756 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.551 -1.271 -2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.527 -0.997 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.236 -2.306 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.722 -0.920 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.778 -3.941 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.226 -2.146 -7.708 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.274 -5.169 -5.447 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.501 -4.272 -7.626 1.00 0.00 H new ATOM 626 N ASP A 39 -12.207 -0.866 -0.356 1.00 0.00 N ATOM 627 CA ASP A 39 -12.164 -0.505 1.058 1.00 0.00 C ATOM 628 C ASP A 39 -10.847 -0.949 1.682 1.00 0.00 C ATOM 629 O ASP A 39 -10.518 -2.134 1.673 1.00 0.00 O ATOM 630 CB ASP A 39 -13.327 -1.168 1.798 1.00 0.00 C ATOM 631 CG ASP A 39 -13.232 -2.685 1.671 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.530 -3.145 0.784 1.00 0.00 O ATOM 633 OD2 ASP A 39 -13.859 -3.366 2.465 1.00 0.00 O ATOM 0 H ASP A 39 -12.825 -1.648 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.247 0.579 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.310 -0.881 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.275 -0.820 1.388 1.00 0.00 H new ATOM 638 N LEU A 40 -10.097 0.008 2.230 1.00 0.00 N ATOM 639 CA LEU A 40 -8.806 -0.284 2.871 1.00 0.00 C ATOM 640 C LEU A 40 -8.692 0.477 4.184 1.00 0.00 C ATOM 641 O LEU A 40 -9.379 1.477 4.395 1.00 0.00 O ATOM 642 CB LEU A 40 -7.654 0.113 1.942 1.00 0.00 C ATOM 643 CG LEU A 40 -7.635 -0.786 0.682 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.623 -0.222 -0.323 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.250 -2.245 1.048 1.00 0.00 C ATOM 0 H LEU A 40 -10.358 0.994 2.245 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.749 -1.354 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.760 1.157 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.706 0.025 2.472 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.632 -0.796 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.605 -0.851 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.912 0.792 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.632 -0.205 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.244 -2.857 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.259 -2.257 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.977 -2.647 1.754 1.00 0.00 H new ATOM 657 N ASP A 41 -7.825 -0.013 5.069 1.00 0.00 N ATOM 658 CA ASP A 41 -7.623 0.615 6.373 1.00 0.00 C ATOM 659 C ASP A 41 -6.607 1.743 6.267 1.00 0.00 C ATOM 660 O ASP A 41 -5.855 1.827 5.295 1.00 0.00 O ATOM 661 CB ASP A 41 -7.111 -0.429 7.366 1.00 0.00 C ATOM 662 CG ASP A 41 -8.028 -1.649 7.352 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.205 -1.478 7.086 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.535 -2.737 7.602 1.00 0.00 O ATOM 0 H ASP A 41 -7.252 -0.841 4.907 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.573 1.023 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.094 -0.724 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.073 -0.003 8.368 1.00 0.00 H new ATOM 669 N ASP A 42 -6.589 2.603 7.271 1.00 0.00 N ATOM 670 CA ASP A 42 -5.662 3.722 7.288 1.00 0.00 C ATOM 671 C ASP A 42 -4.220 3.226 7.265 1.00 0.00 C ATOM 672 O ASP A 42 -3.384 3.754 6.533 1.00 0.00 O ATOM 673 CB ASP A 42 -5.901 4.560 8.549 1.00 0.00 C ATOM 674 CG ASP A 42 -7.225 5.312 8.443 1.00 0.00 C ATOM 675 OD1 ASP A 42 -7.812 5.292 7.376 1.00 0.00 O ATOM 676 OD2 ASP A 42 -7.631 5.899 9.433 1.00 0.00 O ATOM 0 H ASP A 42 -7.204 2.548 8.083 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.831 4.333 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.911 3.914 9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.083 5.268 8.684 1.00 0.00 H new ATOM 681 N ASN A 43 -3.934 2.217 8.077 1.00 0.00 N ATOM 682 CA ASN A 43 -2.586 1.672 8.146 1.00 0.00 C ATOM 683 C ASN A 43 -2.201 1.020 6.825 1.00 0.00 C ATOM 684 O ASN A 43 -1.026 0.950 6.482 1.00 0.00 O ATOM 685 CB ASN A 43 -2.493 0.644 9.272 1.00 0.00 C ATOM 686 CG ASN A 43 -3.473 -0.493 9.020 1.00 0.00 C ATOM 687 OD1 ASN A 43 -4.683 -0.272 8.977 1.00 0.00 O ATOM 688 ND2 ASN A 43 -3.021 -1.704 8.847 1.00 0.00 N ATOM 0 H ASN A 43 -4.610 1.763 8.691 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.896 2.491 8.346 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.478 0.253 9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.712 1.119 10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.671 -2.471 8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.018 -1.884 8.883 1.00 0.00 H new ATOM 695 N ALA A 44 -3.196 0.539 6.088 1.00 0.00 N ATOM 696 CA ALA A 44 -2.936 -0.108 4.803 1.00 0.00 C ATOM 697 C ALA A 44 -2.535 0.922 3.750 1.00 0.00 C ATOM 698 O ALA A 44 -1.590 0.710 2.993 1.00 0.00 O ATOM 699 CB ALA A 44 -4.190 -0.848 4.336 1.00 0.00 C ATOM 0 H ALA A 44 -4.180 0.583 6.352 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.116 -0.814 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.993 -1.329 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.462 -1.604 5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.010 -0.139 4.224 1.00 0.00 H new ATOM 705 N VAL A 45 -3.262 2.037 3.712 1.00 0.00 N ATOM 706 CA VAL A 45 -2.981 3.103 2.747 1.00 0.00 C ATOM 707 C VAL A 45 -1.804 3.950 3.211 1.00 0.00 C ATOM 708 O VAL A 45 -1.011 4.424 2.398 1.00 0.00 O ATOM 709 CB VAL A 45 -4.212 3.997 2.573 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.927 5.073 1.511 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.397 3.137 2.126 1.00 0.00 C ATOM 0 H VAL A 45 -4.047 2.227 4.335 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.731 2.640 1.793 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.446 4.483 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.806 5.707 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.081 5.682 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.693 4.593 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.277 3.768 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.159 2.653 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.600 2.377 2.880 1.00 0.00 H new ATOM 721 N ALA A 46 -1.703 4.150 4.522 1.00 0.00 N ATOM 722 CA ALA A 46 -0.626 4.962 5.078 1.00 0.00 C ATOM 723 C ALA A 46 0.731 4.489 4.562 1.00 0.00 C ATOM 724 O ALA A 46 1.622 5.298 4.313 1.00 0.00 O ATOM 725 CB ALA A 46 -0.646 4.883 6.605 1.00 0.00 C ATOM 0 H ALA A 46 -2.347 3.765 5.213 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.781 5.994 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.161 5.492 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.602 5.253 6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.512 3.847 6.918 1.00 0.00 H new ATOM 731 N VAL A 47 0.875 3.181 4.399 1.00 0.00 N ATOM 732 CA VAL A 47 2.124 2.611 3.905 1.00 0.00 C ATOM 733 C VAL A 47 2.440 3.139 2.507 1.00 0.00 C ATOM 734 O VAL A 47 3.566 3.546 2.227 1.00 0.00 O ATOM 735 CB VAL A 47 1.993 1.077 3.862 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.256 0.449 3.237 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.783 0.526 5.300 1.00 0.00 C ATOM 0 H VAL A 47 0.147 2.496 4.600 1.00 0.00 H new ATOM 0 HA VAL A 47 2.936 2.898 4.573 1.00 0.00 H new ATOM 0 HB VAL A 47 1.132 0.814 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.149 -0.636 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.384 0.824 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.128 0.715 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.691 -0.560 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.636 0.797 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.874 0.953 5.724 1.00 0.00 H new ATOM 747 N LEU A 48 1.440 3.110 1.632 1.00 0.00 N ATOM 748 CA LEU A 48 1.617 3.567 0.258 1.00 0.00 C ATOM 749 C LEU A 48 1.722 5.088 0.212 1.00 0.00 C ATOM 750 O LEU A 48 2.291 5.650 -0.723 1.00 0.00 O ATOM 751 CB LEU A 48 0.443 3.101 -0.604 1.00 0.00 C ATOM 752 CG LEU A 48 0.216 1.592 -0.416 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.963 1.156 -1.293 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.483 0.798 -0.808 1.00 0.00 C ATOM 0 H LEU A 48 0.501 2.776 1.849 1.00 0.00 H new ATOM 0 HA LEU A 48 2.540 3.140 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.459 3.649 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.643 3.319 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.003 1.389 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.134 0.087 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.858 1.703 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.737 1.368 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.302 -0.268 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.724 0.991 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.317 1.110 -0.179 1.00 0.00 H new ATOM 766 N LYS A 49 1.167 5.747 1.225 1.00 0.00 N ATOM 767 CA LYS A 49 1.204 7.205 1.301 1.00 0.00 C ATOM 768 C LYS A 49 2.513 7.689 1.926 1.00 0.00 C ATOM 769 O LYS A 49 3.021 8.751 1.569 1.00 0.00 O ATOM 770 CB LYS A 49 0.031 7.694 2.151 1.00 0.00 C ATOM 771 CG LYS A 49 -0.099 9.221 2.038 1.00 0.00 C ATOM 772 CD LYS A 49 -1.372 9.710 2.778 1.00 0.00 C ATOM 773 CE LYS A 49 -2.595 9.638 1.849 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.485 10.692 0.801 1.00 0.00 N ATOM 0 H LYS A 49 0.687 5.296 2.004 1.00 0.00 H new ATOM 0 HA LYS A 49 1.134 7.606 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.892 7.217 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.182 7.410 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.783 9.700 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.146 9.512 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.543 9.097 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.229 10.734 3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.655 8.654 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.511 9.776 2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.433 10.925 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.051 11.544 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.894 10.344 0.019 1.00 0.00 H new ATOM 788 N LEU A 50 3.034 6.921 2.883 1.00 0.00 N ATOM 789 CA LEU A 50 4.266 7.306 3.572 1.00 0.00 C ATOM 790 C LEU A 50 5.473 7.169 2.645 1.00 0.00 C ATOM 791 O LEU A 50 6.429 7.940 2.739 1.00 0.00 O ATOM 792 CB LEU A 50 4.466 6.406 4.809 1.00 0.00 C ATOM 793 CG LEU A 50 5.569 6.990 5.745 1.00 0.00 C ATOM 794 CD1 LEU A 50 4.950 7.972 6.749 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.245 5.858 6.529 1.00 0.00 C ATOM 0 H LEU A 50 2.628 6.039 3.196 1.00 0.00 H new ATOM 0 HA LEU A 50 4.180 8.348 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.527 6.318 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.746 5.401 4.492 1.00 0.00 H new ATOM 0 HG LEU A 50 6.302 7.507 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.731 8.372 7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.471 8.790 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.207 7.453 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.014 6.275 7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.501 5.339 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.702 5.155 5.832 1.00 0.00 H new ATOM 807 N VAL A 51 5.422 6.188 1.750 1.00 0.00 N ATOM 808 CA VAL A 51 6.513 5.965 0.801 1.00 0.00 C ATOM 809 C VAL A 51 6.468 6.994 -0.325 1.00 0.00 C ATOM 810 O VAL A 51 5.449 7.157 -0.994 1.00 0.00 O ATOM 811 CB VAL A 51 6.437 4.541 0.221 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.081 4.320 -0.469 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.574 4.330 -0.798 1.00 0.00 C ATOM 0 H VAL A 51 4.642 5.536 1.660 1.00 0.00 H new ATOM 0 HA VAL A 51 7.457 6.077 1.334 1.00 0.00 H new ATOM 0 HB VAL A 51 6.543 3.825 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.040 3.309 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.278 4.453 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.963 5.041 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.515 3.321 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.476 5.054 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.536 4.466 -0.303 1.00 0.00 H new ATOM 823 N ASP A 52 7.586 7.681 -0.534 1.00 0.00 N ATOM 824 CA ASP A 52 7.678 8.681 -1.593 1.00 0.00 C ATOM 825 C ASP A 52 7.883 7.990 -2.940 1.00 0.00 C ATOM 826 O ASP A 52 6.923 7.699 -3.654 1.00 0.00 O ATOM 827 CB ASP A 52 8.845 9.631 -1.304 1.00 0.00 C ATOM 828 CG ASP A 52 8.533 10.487 -0.076 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.375 10.548 0.306 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.458 11.067 0.468 1.00 0.00 O ATOM 0 H ASP A 52 8.439 7.565 0.014 1.00 0.00 H new ATOM 0 HA ASP A 52 6.753 9.256 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.757 9.059 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.025 10.272 -2.167 1.00 0.00 H new ATOM 835 N GLY A 53 9.147 7.716 -3.268 1.00 0.00 N ATOM 836 CA GLY A 53 9.495 7.043 -4.519 1.00 0.00 C ATOM 837 C GLY A 53 9.396 5.533 -4.348 1.00 0.00 C ATOM 838 O GLY A 53 8.319 5.001 -4.083 1.00 0.00 O ATOM 0 H GLY A 53 9.948 7.951 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.827 7.371 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.506 7.317 -4.819 1.00 0.00 H new ATOM 842 N ARG A 54 10.537 4.848 -4.489 1.00 0.00 N ATOM 843 CA ARG A 54 10.588 3.386 -4.339 1.00 0.00 C ATOM 844 C ARG A 54 11.415 3.015 -3.112 1.00 0.00 C ATOM 845 O ARG A 54 12.643 3.090 -3.138 1.00 0.00 O ATOM 846 CB ARG A 54 11.250 2.786 -5.583 1.00 0.00 C ATOM 847 CG ARG A 54 10.375 3.057 -6.807 1.00 0.00 C ATOM 848 CD ARG A 54 11.019 2.426 -8.042 1.00 0.00 C ATOM 849 NE ARG A 54 12.271 3.102 -8.357 1.00 0.00 N ATOM 850 CZ ARG A 54 13.020 2.716 -9.384 1.00 0.00 C ATOM 851 NH1 ARG A 54 14.139 3.335 -9.643 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.637 1.718 -10.132 1.00 0.00 N ATOM 0 H ARG A 54 11.435 5.279 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 54 9.576 2.999 -4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.239 3.220 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.389 1.713 -5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.378 2.645 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.257 4.131 -6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.204 1.367 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.338 2.492 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 54 12.577 3.885 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.438 4.115 -9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.715 3.039 -10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.762 1.234 -9.928 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.212 1.422 -10.921 1.00 0.00 H new ATOM 866 N ASN A 55 10.729 2.598 -2.042 1.00 0.00 N ATOM 867 CA ASN A 55 11.392 2.187 -0.792 1.00 0.00 C ATOM 868 C ASN A 55 11.121 0.719 -0.516 1.00 0.00 C ATOM 869 O ASN A 55 10.094 0.180 -0.928 1.00 0.00 O ATOM 870 CB ASN A 55 10.877 3.028 0.373 1.00 0.00 C ATOM 871 CG ASN A 55 11.270 4.487 0.161 1.00 0.00 C ATOM 872 OD1 ASN A 55 12.236 4.774 -0.545 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.574 5.432 0.731 1.00 0.00 N ATOM 0 H ASN A 55 9.711 2.535 -2.014 1.00 0.00 H new ATOM 0 HA ASN A 55 12.466 2.339 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.793 2.940 0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.292 2.661 1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.831 6.409 0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.773 5.193 1.316 1.00 0.00 H new ATOM 880 N THR A 56 12.036 0.077 0.200 1.00 0.00 N ATOM 881 CA THR A 56 11.876 -1.333 0.544 1.00 0.00 C ATOM 882 C THR A 56 10.965 -1.474 1.758 1.00 0.00 C ATOM 883 O THR A 56 10.877 -0.569 2.590 1.00 0.00 O ATOM 884 CB THR A 56 13.247 -1.941 0.857 1.00 0.00 C ATOM 885 OG1 THR A 56 13.647 -1.548 2.161 1.00 0.00 O ATOM 886 CG2 THR A 56 14.271 -1.445 -0.167 1.00 0.00 C ATOM 0 H THR A 56 12.892 0.506 0.552 1.00 0.00 H new ATOM 0 HA THR A 56 11.428 -1.858 -0.299 1.00 0.00 H new ATOM 0 HB THR A 56 13.186 -3.028 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.523 -1.937 2.365 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.247 -1.877 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.960 -1.746 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.336 -0.358 -0.119 1.00 0.00 H new ATOM 894 N VAL A 57 10.292 -2.611 1.857 1.00 0.00 N ATOM 895 CA VAL A 57 9.393 -2.855 2.976 1.00 0.00 C ATOM 896 C VAL A 57 10.155 -2.778 4.293 1.00 0.00 C ATOM 897 O VAL A 57 9.679 -2.192 5.264 1.00 0.00 O ATOM 898 CB VAL A 57 8.732 -4.229 2.826 1.00 0.00 C ATOM 899 CG1 VAL A 57 7.930 -4.257 1.521 1.00 0.00 C ATOM 900 CG2 VAL A 57 9.804 -5.328 2.793 1.00 0.00 C ATOM 0 H VAL A 57 10.350 -3.374 1.182 1.00 0.00 H new ATOM 0 HA VAL A 57 8.618 -2.088 2.978 1.00 0.00 H new ATOM 0 HB VAL A 57 8.070 -4.407 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.456 -5.232 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.164 -3.482 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.599 -4.077 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.324 -6.301 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.473 -5.159 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.377 -5.306 3.720 1.00 0.00 H new ATOM 910 N SER A 58 11.340 -3.376 4.314 1.00 0.00 N ATOM 911 CA SER A 58 12.163 -3.371 5.515 1.00 0.00 C ATOM 912 C SER A 58 12.466 -1.946 5.954 1.00 0.00 C ATOM 913 O SER A 58 12.392 -1.624 7.139 1.00 0.00 O ATOM 914 CB SER A 58 13.470 -4.114 5.250 1.00 0.00 C ATOM 915 OG SER A 58 13.176 -5.455 4.878 1.00 0.00 O ATOM 0 H SER A 58 11.749 -3.867 3.519 1.00 0.00 H new ATOM 0 HA SER A 58 11.613 -3.872 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.030 -3.618 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.098 -4.100 6.141 1.00 0.00 H new ATOM 0 HG SER A 58 14.011 -5.937 4.705 1.00 0.00 H new ATOM 921 N GLN A 59 12.808 -1.093 4.995 1.00 0.00 N ATOM 922 CA GLN A 59 13.124 0.296 5.302 1.00 0.00 C ATOM 923 C GLN A 59 11.893 1.018 5.846 1.00 0.00 C ATOM 924 O GLN A 59 11.974 1.732 6.845 1.00 0.00 O ATOM 925 CB GLN A 59 13.618 1.002 4.037 1.00 0.00 C ATOM 926 CG GLN A 59 14.053 2.431 4.377 1.00 0.00 C ATOM 927 CD GLN A 59 14.696 3.082 3.159 1.00 0.00 C ATOM 928 OE1 GLN A 59 15.124 2.389 2.236 1.00 0.00 O ATOM 929 NE2 GLN A 59 14.786 4.382 3.098 1.00 0.00 N ATOM 0 H GLN A 59 12.873 -1.336 4.007 1.00 0.00 H new ATOM 0 HA GLN A 59 13.905 0.317 6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.453 0.451 3.604 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.827 1.021 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.191 3.015 4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.759 2.418 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.431 4.954 3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.212 4.826 2.284 1.00 0.00 H new ATOM 938 N ILE A 60 10.759 0.828 5.181 1.00 0.00 N ATOM 939 CA ILE A 60 9.521 1.469 5.609 1.00 0.00 C ATOM 940 C ILE A 60 9.152 0.990 7.011 1.00 0.00 C ATOM 941 O ILE A 60 8.737 1.775 7.860 1.00 0.00 O ATOM 942 CB ILE A 60 8.386 1.137 4.619 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.702 1.772 3.252 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.048 1.704 5.145 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.729 1.238 2.195 1.00 0.00 C ATOM 0 H ILE A 60 10.671 0.241 4.351 1.00 0.00 H new ATOM 0 HA ILE A 60 9.665 2.549 5.628 1.00 0.00 H new ATOM 0 HB ILE A 60 8.304 0.055 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.623 2.857 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.728 1.544 2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.250 1.466 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.821 1.260 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.128 2.786 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.956 1.690 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.830 0.155 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.707 1.488 2.481 1.00 0.00 H new ATOM 957 N ALA A 61 9.288 -0.313 7.230 1.00 0.00 N ATOM 958 CA ALA A 61 8.951 -0.908 8.517 1.00 0.00 C ATOM 959 C ALA A 61 9.664 -0.190 9.660 1.00 0.00 C ATOM 960 O ALA A 61 9.099 -0.013 10.737 1.00 0.00 O ATOM 961 CB ALA A 61 9.338 -2.394 8.508 1.00 0.00 C ATOM 0 H ALA A 61 9.629 -0.976 6.534 1.00 0.00 H new ATOM 0 HA ALA A 61 7.877 -0.807 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.087 -2.841 9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.793 -2.907 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.409 -2.490 8.332 1.00 0.00 H new ATOM 967 N GLN A 62 10.906 0.214 9.427 1.00 0.00 N ATOM 968 CA GLN A 62 11.667 0.907 10.460 1.00 0.00 C ATOM 969 C GLN A 62 11.011 2.239 10.814 1.00 0.00 C ATOM 970 O GLN A 62 10.743 2.513 11.980 1.00 0.00 O ATOM 971 CB GLN A 62 13.102 1.148 9.972 1.00 0.00 C ATOM 972 CG GLN A 62 13.842 -0.189 9.832 1.00 0.00 C ATOM 973 CD GLN A 62 14.088 -0.807 11.206 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.585 -0.135 12.110 1.00 0.00 O ATOM 975 NE2 GLN A 62 13.763 -2.053 11.418 1.00 0.00 N ATOM 0 H GLN A 62 11.402 0.077 8.547 1.00 0.00 H new ATOM 0 HA GLN A 62 11.686 0.283 11.354 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.086 1.666 9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.630 1.793 10.674 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.257 -0.873 9.218 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.792 -0.034 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.351 -2.608 10.667 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.921 -2.472 12.334 1.00 0.00 H new ATOM 984 N ILE A 63 10.754 3.063 9.805 1.00 0.00 N ATOM 985 CA ILE A 63 10.130 4.362 10.039 1.00 0.00 C ATOM 986 C ILE A 63 8.702 4.189 10.547 1.00 0.00 C ATOM 987 O ILE A 63 8.294 4.835 11.512 1.00 0.00 O ATOM 988 CB ILE A 63 10.124 5.186 8.743 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.563 5.307 8.210 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.559 6.587 9.027 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.550 5.937 6.816 1.00 0.00 C ATOM 0 H ILE A 63 10.965 2.860 8.828 1.00 0.00 H new ATOM 0 HA ILE A 63 10.709 4.889 10.797 1.00 0.00 H new ATOM 0 HB ILE A 63 9.501 4.691 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.161 5.915 8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.029 4.323 8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.555 7.171 8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.541 6.499 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.180 7.086 9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.571 6.020 6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.967 5.312 6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.102 6.929 6.869 1.00 0.00 H new ATOM 1003 N LEU A 64 7.944 3.319 9.887 1.00 0.00 N ATOM 1004 CA LEU A 64 6.559 3.075 10.276 1.00 0.00 C ATOM 1005 C LEU A 64 6.502 2.374 11.631 1.00 0.00 C ATOM 1006 O LEU A 64 5.618 2.642 12.443 1.00 0.00 O ATOM 1007 CB LEU A 64 5.855 2.217 9.211 1.00 0.00 C ATOM 1008 CG LEU A 64 4.341 2.114 9.501 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.663 3.508 9.407 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.707 1.163 8.477 1.00 0.00 C ATOM 0 H LEU A 64 8.262 2.774 9.086 1.00 0.00 H new ATOM 0 HA LEU A 64 6.047 4.034 10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.012 2.653 8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.295 1.220 9.192 1.00 0.00 H new ATOM 0 HG LEU A 64 4.197 1.733 10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.598 3.409 9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.114 4.182 10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.801 3.913 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.637 1.081 8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.865 1.553 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.167 0.179 8.561 1.00 0.00 H new ATOM 1022 N GLY A 65 7.441 1.464 11.865 1.00 0.00 N ATOM 1023 CA GLY A 65 7.475 0.724 13.122 1.00 0.00 C ATOM 1024 C GLY A 65 7.589 1.671 14.311 1.00 0.00 C ATOM 1025 O GLY A 65 6.937 1.475 15.336 1.00 0.00 O ATOM 0 H GLY A 65 8.183 1.222 11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.572 0.121 13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.319 0.035 13.119 1.00 0.00 H new ATOM 1029 N GLN A 66 8.414 2.700 14.168 1.00 0.00 N ATOM 1030 CA GLN A 66 8.597 3.673 15.239 1.00 0.00 C ATOM 1031 C GLN A 66 7.307 4.456 15.475 1.00 0.00 C ATOM 1032 O GLN A 66 7.031 4.883 16.596 1.00 0.00 O ATOM 1033 CB GLN A 66 9.735 4.638 14.878 1.00 0.00 C ATOM 1034 CG GLN A 66 11.075 3.897 14.921 1.00 0.00 C ATOM 1035 CD GLN A 66 12.190 4.815 14.435 1.00 0.00 C ATOM 1036 OE1 GLN A 66 11.949 5.987 14.146 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.405 4.350 14.324 1.00 0.00 N ATOM 0 H GLN A 66 8.964 2.883 13.328 1.00 0.00 H new ATOM 0 HA GLN A 66 8.854 3.140 16.155 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.570 5.054 13.884 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.749 5.476 15.575 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.284 3.563 15.937 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.028 3.005 14.296 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.603 3.379 14.564 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.156 4.958 13.997 1.00 0.00 H new ATOM 1046 N THR A 67 6.525 4.646 14.418 1.00 0.00 N ATOM 1047 CA THR A 67 5.274 5.386 14.538 1.00 0.00 C ATOM 1048 C THR A 67 4.320 4.673 15.491 1.00 0.00 C ATOM 1049 O THR A 67 3.760 5.289 16.397 1.00 0.00 O ATOM 1050 CB THR A 67 4.617 5.529 13.158 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.576 6.014 12.228 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.441 6.505 13.239 1.00 0.00 C ATOM 0 H THR A 67 6.731 4.303 13.480 1.00 0.00 H new ATOM 0 HA THR A 67 5.494 6.376 14.938 1.00 0.00 H new ATOM 0 HB THR A 67 4.250 4.556 12.831 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.159 6.105 11.346 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.980 6.601 12.256 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.705 6.130 13.950 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.799 7.480 13.569 1.00 0.00 H new ATOM 1060 N TYR A 68 4.145 3.366 15.289 1.00 0.00 N ATOM 1061 CA TYR A 68 3.262 2.559 16.142 1.00 0.00 C ATOM 1062 C TYR A 68 4.062 1.876 17.247 1.00 0.00 C ATOM 1063 O TYR A 68 3.497 1.185 18.094 1.00 0.00 O ATOM 1064 CB TYR A 68 2.548 1.502 15.293 1.00 0.00 C ATOM 1065 CG TYR A 68 1.601 2.187 14.327 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.030 2.526 13.037 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.292 2.488 14.729 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.151 3.162 12.153 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.585 3.123 13.843 1.00 0.00 C ATOM 1070 CZ TYR A 68 -0.155 3.461 12.555 1.00 0.00 C ATOM 1071 OH TYR A 68 -1.020 4.090 11.682 1.00 0.00 O ATOM 0 H TYR A 68 4.602 2.841 14.543 1.00 0.00 H new ATOM 0 HA TYR A 68 2.524 3.217 16.601 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.278 0.907 14.744 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.996 0.816 15.935 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.038 2.297 12.725 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.040 2.229 15.724 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.482 3.422 11.158 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.594 3.352 14.153 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.887 4.223 12.119 1.00 0.00 H new ATOM 1081 N ASP A 69 5.377 2.074 17.235 1.00 0.00 N ATOM 1082 CA ASP A 69 6.235 1.470 18.250 1.00 0.00 C ATOM 1083 C ASP A 69 6.014 -0.038 18.319 1.00 0.00 C ATOM 1084 O ASP A 69 5.585 -0.558 19.347 1.00 0.00 O ATOM 1085 CB ASP A 69 5.941 2.089 19.619 1.00 0.00 C ATOM 1086 CG ASP A 69 6.968 1.616 20.647 1.00 0.00 C ATOM 1087 OD1 ASP A 69 7.760 0.746 20.317 1.00 0.00 O ATOM 1088 OD2 ASP A 69 6.947 2.131 21.753 1.00 0.00 O ATOM 0 H ASP A 69 5.867 2.641 16.543 1.00 0.00 H new ATOM 0 HA ASP A 69 7.273 1.661 17.976 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.963 3.176 19.546 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.938 1.812 19.943 1.00 0.00 H new ATOM 1093 N ALA A 70 6.301 -0.734 17.220 1.00 0.00 N ATOM 1094 CA ALA A 70 6.126 -2.191 17.157 1.00 0.00 C ATOM 1095 C ALA A 70 7.304 -2.830 16.429 1.00 0.00 C ATOM 1096 O ALA A 70 8.039 -2.153 15.706 1.00 0.00 O ATOM 1097 CB ALA A 70 4.820 -2.518 16.430 1.00 0.00 C ATOM 0 H ALA A 70 6.656 -0.316 16.360 1.00 0.00 H new ATOM 0 HA ALA A 70 6.084 -2.591 18.170 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.690 -3.599 16.383 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.983 -2.075 16.969 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.855 -2.113 15.419 1.00 0.00 H new ATOM 1103 N ASP A 71 7.491 -4.131 16.636 1.00 0.00 N ATOM 1104 CA ASP A 71 8.595 -4.841 16.006 1.00 0.00 C ATOM 1105 C ASP A 71 8.546 -4.665 14.472 1.00 0.00 C ATOM 1106 O ASP A 71 7.608 -5.151 13.834 1.00 0.00 O ATOM 1107 CB ASP A 71 8.505 -6.324 16.358 1.00 0.00 C ATOM 1108 CG ASP A 71 8.538 -6.492 17.876 1.00 0.00 C ATOM 1109 OD1 ASP A 71 9.324 -5.808 18.511 1.00 0.00 O ATOM 1110 OD2 ASP A 71 7.774 -7.299 18.379 1.00 0.00 O ATOM 0 H ASP A 71 6.897 -4.709 17.230 1.00 0.00 H new ATOM 0 HA ASP A 71 9.536 -4.431 16.372 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.586 -6.749 15.955 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.334 -6.867 15.904 1.00 0.00 H new ATOM 1115 N PRO A 72 9.510 -3.993 13.852 1.00 0.00 N ATOM 1116 CA PRO A 72 9.505 -3.799 12.368 1.00 0.00 C ATOM 1117 C PRO A 72 9.271 -5.107 11.602 1.00 0.00 C ATOM 1118 O PRO A 72 8.613 -5.110 10.564 1.00 0.00 O ATOM 1119 CB PRO A 72 10.911 -3.230 12.067 1.00 0.00 C ATOM 1120 CG PRO A 72 11.329 -2.544 13.332 1.00 0.00 C ATOM 1121 CD PRO A 72 10.684 -3.337 14.477 1.00 0.00 C ATOM 0 HA PRO A 72 8.694 -3.143 12.051 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.609 -4.023 11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.884 -2.533 11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.415 -2.532 13.429 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.997 -1.506 13.341 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.375 -4.070 14.892 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.385 -2.682 15.295 1.00 0.00 H new ATOM 1129 N ALA A 73 9.828 -6.203 12.112 1.00 0.00 N ATOM 1130 CA ALA A 73 9.690 -7.506 11.460 1.00 0.00 C ATOM 1131 C ALA A 73 8.224 -7.827 11.174 1.00 0.00 C ATOM 1132 O ALA A 73 7.890 -8.386 10.131 1.00 0.00 O ATOM 1133 CB ALA A 73 10.286 -8.593 12.356 1.00 0.00 C ATOM 0 H ALA A 73 10.377 -6.217 12.971 1.00 0.00 H new ATOM 0 HA ALA A 73 10.225 -7.472 10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.183 -9.563 11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.342 -8.384 12.528 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.759 -8.608 13.310 1.00 0.00 H new ATOM 1139 N ILE A 74 7.353 -7.478 12.111 1.00 0.00 N ATOM 1140 CA ILE A 74 5.922 -7.723 11.947 1.00 0.00 C ATOM 1141 C ILE A 74 5.332 -6.776 10.905 1.00 0.00 C ATOM 1142 O ILE A 74 4.468 -7.161 10.118 1.00 0.00 O ATOM 1143 CB ILE A 74 5.194 -7.555 13.284 1.00 0.00 C ATOM 1144 CG1 ILE A 74 5.821 -8.501 14.323 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.708 -7.903 13.102 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.235 -8.225 15.713 1.00 0.00 C ATOM 0 H ILE A 74 7.608 -7.026 12.989 1.00 0.00 H new ATOM 0 HA ILE A 74 5.788 -8.748 11.601 1.00 0.00 H new ATOM 0 HB ILE A 74 5.285 -6.524 13.627 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.635 -9.537 14.041 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.902 -8.366 14.343 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.187 -7.784 14.052 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.266 -7.237 12.361 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.615 -8.935 12.764 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.687 -8.901 16.439 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.444 -7.194 15.998 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.157 -8.384 15.691 1.00 0.00 H new ATOM 1158 N ILE A 75 5.778 -5.524 10.938 1.00 0.00 N ATOM 1159 CA ILE A 75 5.265 -4.511 10.020 1.00 0.00 C ATOM 1160 C ILE A 75 5.511 -4.913 8.570 1.00 0.00 C ATOM 1161 O ILE A 75 4.594 -4.864 7.752 1.00 0.00 O ATOM 1162 CB ILE A 75 5.970 -3.177 10.289 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.871 -2.816 11.785 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.339 -2.067 9.439 1.00 0.00 C ATOM 1165 CD1 ILE A 75 4.406 -2.761 12.258 1.00 0.00 C ATOM 0 H ILE A 75 6.490 -5.187 11.586 1.00 0.00 H new ATOM 0 HA ILE A 75 4.191 -4.415 10.182 1.00 0.00 H new ATOM 0 HB ILE A 75 7.021 -3.275 10.019 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.417 -3.552 12.375 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.347 -1.851 11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.847 -1.123 9.638 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.438 -2.317 8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.283 -1.971 9.692 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.375 -2.504 13.317 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.867 -2.006 11.685 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.938 -3.734 12.107 1.00 0.00 H new ATOM 1177 N GLU A 76 6.742 -5.309 8.257 1.00 0.00 N ATOM 1178 CA GLU A 76 7.072 -5.710 6.892 1.00 0.00 C ATOM 1179 C GLU A 76 6.259 -6.942 6.502 1.00 0.00 C ATOM 1180 O GLU A 76 5.719 -7.019 5.399 1.00 0.00 O ATOM 1181 CB GLU A 76 8.577 -6.001 6.756 1.00 0.00 C ATOM 1182 CG GLU A 76 9.020 -7.018 7.807 1.00 0.00 C ATOM 1183 CD GLU A 76 10.532 -7.188 7.776 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.220 -6.187 7.668 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.979 -8.318 7.866 1.00 0.00 O ATOM 0 H GLU A 76 7.517 -5.361 8.918 1.00 0.00 H new ATOM 0 HA GLU A 76 6.822 -4.889 6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.791 -6.383 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.144 -5.078 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.705 -6.688 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.536 -7.977 7.621 1.00 0.00 H new ATOM 1192 N ALA A 77 6.175 -7.897 7.423 1.00 0.00 N ATOM 1193 CA ALA A 77 5.427 -9.127 7.193 1.00 0.00 C ATOM 1194 C ALA A 77 3.935 -8.845 7.061 1.00 0.00 C ATOM 1195 O ALA A 77 3.193 -9.667 6.533 1.00 0.00 O ATOM 1196 CB ALA A 77 5.664 -10.111 8.337 1.00 0.00 C ATOM 0 H ALA A 77 6.618 -7.841 8.340 1.00 0.00 H new ATOM 0 HA ALA A 77 5.781 -9.565 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.100 -11.025 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.726 -10.347 8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.335 -9.664 9.275 1.00 0.00 H new ATOM 1202 N ASP A 78 3.496 -7.698 7.577 1.00 0.00 N ATOM 1203 CA ASP A 78 2.079 -7.325 7.521 1.00 0.00 C ATOM 1204 C ASP A 78 1.706 -6.767 6.142 1.00 0.00 C ATOM 1205 O ASP A 78 0.698 -7.160 5.559 1.00 0.00 O ATOM 1206 CB ASP A 78 1.777 -6.281 8.599 1.00 0.00 C ATOM 1207 CG ASP A 78 0.273 -6.026 8.688 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.477 -6.802 8.121 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.105 -5.056 9.325 1.00 0.00 O ATOM 0 H ASP A 78 4.095 -7.013 8.037 1.00 0.00 H new ATOM 0 HA ASP A 78 1.484 -8.221 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.151 -6.626 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.297 -5.351 8.369 1.00 0.00 H new ATOM 1214 N ILE A 79 2.519 -5.832 5.639 1.00 0.00 N ATOM 1215 CA ILE A 79 2.267 -5.207 4.332 1.00 0.00 C ATOM 1216 C ILE A 79 2.687 -6.121 3.185 1.00 0.00 C ATOM 1217 O ILE A 79 2.054 -6.146 2.133 1.00 0.00 O ATOM 1218 CB ILE A 79 3.000 -3.861 4.255 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.509 -4.075 4.435 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.473 -2.962 5.377 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.253 -2.743 4.305 1.00 0.00 C ATOM 0 H ILE A 79 3.355 -5.491 6.114 1.00 0.00 H new ATOM 0 HA ILE A 79 1.195 -5.037 4.231 1.00 0.00 H new ATOM 0 HB ILE A 79 2.826 -3.398 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.707 -4.516 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.875 -4.779 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.982 -1.999 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.401 -2.812 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.661 -3.435 6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.322 -2.909 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.069 -2.318 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.898 -2.052 5.069 1.00 0.00 H new ATOM 1233 N LEU A 80 3.760 -6.877 3.392 1.00 0.00 N ATOM 1234 CA LEU A 80 4.247 -7.793 2.363 1.00 0.00 C ATOM 1235 C LEU A 80 3.083 -8.599 1.746 1.00 0.00 C ATOM 1236 O LEU A 80 2.848 -8.504 0.542 1.00 0.00 O ATOM 1237 CB LEU A 80 5.330 -8.745 2.960 1.00 0.00 C ATOM 1238 CG LEU A 80 6.764 -8.158 2.826 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.712 -8.910 3.780 1.00 0.00 C ATOM 1240 CD2 LEU A 80 7.289 -8.327 1.382 1.00 0.00 C ATOM 0 H LEU A 80 4.306 -6.875 4.254 1.00 0.00 H new ATOM 0 HA LEU A 80 4.703 -7.207 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.111 -8.928 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.284 -9.709 2.452 1.00 0.00 H new ATOM 0 HG LEU A 80 6.728 -7.097 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.719 -8.502 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.364 -8.793 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.725 -9.969 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.293 -7.910 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.316 -9.386 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.628 -7.804 0.691 1.00 0.00 H new ATOM 1252 N PRO A 81 2.352 -9.374 2.522 1.00 0.00 N ATOM 1253 CA PRO A 81 1.208 -10.177 1.986 1.00 0.00 C ATOM 1254 C PRO A 81 0.113 -9.280 1.394 1.00 0.00 C ATOM 1255 O PRO A 81 -0.611 -9.695 0.490 1.00 0.00 O ATOM 1256 CB PRO A 81 0.703 -10.965 3.224 1.00 0.00 C ATOM 1257 CG PRO A 81 1.151 -10.137 4.385 1.00 0.00 C ATOM 1258 CD PRO A 81 2.510 -9.584 3.972 1.00 0.00 C ATOM 0 HA PRO A 81 1.501 -10.831 1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.381 -11.080 3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.129 -11.968 3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.444 -9.334 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.228 -10.737 5.292 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.743 -8.655 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.316 -10.284 4.194 1.00 0.00 H new ATOM 1266 N MET A 82 -0.005 -8.055 1.911 1.00 0.00 N ATOM 1267 CA MET A 82 -1.018 -7.124 1.417 1.00 0.00 C ATOM 1268 C MET A 82 -0.722 -6.731 -0.032 1.00 0.00 C ATOM 1269 O MET A 82 -1.631 -6.606 -0.848 1.00 0.00 O ATOM 1270 CB MET A 82 -1.055 -5.863 2.297 1.00 0.00 C ATOM 1271 CG MET A 82 -2.273 -4.997 1.941 1.00 0.00 C ATOM 1272 SD MET A 82 -3.785 -5.822 2.513 1.00 0.00 S ATOM 1273 CE MET A 82 -3.839 -5.112 4.177 1.00 0.00 C ATOM 0 H MET A 82 0.581 -7.689 2.662 1.00 0.00 H new ATOM 0 HA MET A 82 -1.988 -7.619 1.458 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.097 -6.147 3.349 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.139 -5.288 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.183 -4.015 2.405 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.318 -4.837 0.864 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.710 -5.496 4.708 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.933 -5.385 4.719 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.906 -4.026 4.107 1.00 0.00 H new ATOM 1283 N LEU A 83 0.553 -6.528 -0.339 1.00 0.00 N ATOM 1284 CA LEU A 83 0.956 -6.139 -1.687 1.00 0.00 C ATOM 1285 C LEU A 83 0.581 -7.226 -2.685 1.00 0.00 C ATOM 1286 O LEU A 83 0.132 -6.936 -3.792 1.00 0.00 O ATOM 1287 CB LEU A 83 2.470 -5.904 -1.719 1.00 0.00 C ATOM 1288 CG LEU A 83 2.844 -4.698 -0.828 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.369 -4.649 -0.666 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.348 -3.371 -1.451 1.00 0.00 C ATOM 0 H LEU A 83 1.323 -6.625 0.322 1.00 0.00 H new ATOM 0 HA LEU A 83 0.439 -5.220 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.991 -6.796 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.795 -5.723 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 83 2.364 -4.819 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.641 -3.800 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.715 -5.571 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.836 -4.540 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.625 -2.539 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.806 -3.236 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.264 -3.402 -1.558 1.00 0.00 H new ATOM 1302 N ALA A 84 0.760 -8.479 -2.288 1.00 0.00 N ATOM 1303 CA ALA A 84 0.427 -9.594 -3.163 1.00 0.00 C ATOM 1304 C ALA A 84 -1.062 -9.572 -3.506 1.00 0.00 C ATOM 1305 O ALA A 84 -1.452 -9.855 -4.638 1.00 0.00 O ATOM 1306 CB ALA A 84 0.775 -10.914 -2.475 1.00 0.00 C ATOM 0 H ALA A 84 1.130 -8.747 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 84 1.004 -9.501 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.524 -11.745 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.842 -10.938 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.208 -11.002 -1.548 1.00 0.00 H new ATOM 1312 N GLY A 85 -1.886 -9.228 -2.522 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.329 -9.167 -2.732 1.00 0.00 C ATOM 1314 C GLY A 85 -3.695 -8.065 -3.721 1.00 0.00 C ATOM 1315 O GLY A 85 -4.563 -8.246 -4.574 1.00 0.00 O ATOM 0 H GLY A 85 -1.583 -8.989 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.686 -10.127 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.831 -8.987 -1.781 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.029 -6.921 -3.598 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.286 -5.790 -4.478 1.00 0.00 C ATOM 1321 C LEU A 86 -2.786 -6.088 -5.888 1.00 0.00 C ATOM 1322 O LEU A 86 -3.394 -5.671 -6.873 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.584 -4.549 -3.921 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.166 -4.182 -2.540 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.315 -3.065 -1.925 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.638 -3.710 -2.662 1.00 0.00 C ATOM 0 H LEU A 86 -2.307 -6.754 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.360 -5.610 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.514 -4.736 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.707 -3.713 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.147 -5.066 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.717 -2.797 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.287 -3.411 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.334 -2.192 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.022 -3.458 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.686 -2.831 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.242 -4.509 -3.093 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.675 -6.810 -5.974 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.094 -7.160 -7.268 1.00 0.00 C ATOM 1340 C ALA A 87 -2.121 -7.863 -8.148 1.00 0.00 C ATOM 1341 O ALA A 87 -2.123 -7.695 -9.367 1.00 0.00 O ATOM 1342 CB ALA A 87 0.114 -8.080 -7.063 1.00 0.00 C ATOM 0 H ALA A 87 -1.159 -7.164 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.778 -6.241 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.543 -8.338 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.863 -7.568 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.204 -8.990 -6.553 1.00 0.00 H new ATOM 1348 N GLN A 88 -2.992 -8.645 -7.525 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.019 -9.365 -8.266 1.00 0.00 C ATOM 1350 C GLN A 88 -4.857 -8.389 -9.088 1.00 0.00 C ATOM 1351 O GLN A 88 -5.385 -8.743 -10.140 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.923 -10.125 -7.291 1.00 0.00 C ATOM 1353 CG GLN A 88 -4.120 -11.231 -6.602 1.00 0.00 C ATOM 1354 CD GLN A 88 -4.992 -11.939 -5.571 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -6.181 -11.646 -5.458 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -4.467 -12.857 -4.806 1.00 0.00 N ATOM 0 H GLN A 88 -3.009 -8.797 -6.516 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.537 -10.073 -8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.330 -9.440 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.770 -10.556 -7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.762 -11.947 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.241 -10.806 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.481 -13.098 -4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.043 -13.333 -4.112 1.00 0.00 H new ATOM 1365 N LYS A 89 -4.967 -7.151 -8.601 1.00 0.00 N ATOM 1366 CA LYS A 89 -5.739 -6.110 -9.291 1.00 0.00 C ATOM 1367 C LYS A 89 -4.814 -5.237 -10.132 1.00 0.00 C ATOM 1368 O LYS A 89 -5.269 -4.398 -10.907 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.456 -5.242 -8.259 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.463 -6.101 -7.495 1.00 0.00 C ATOM 1371 CD LYS A 89 -8.153 -5.249 -6.431 1.00 0.00 C ATOM 1372 CE LYS A 89 -9.087 -6.130 -5.601 1.00 0.00 C ATOM 1373 NZ LYS A 89 -10.199 -6.623 -6.463 1.00 0.00 N ATOM 0 H LYS A 89 -4.532 -6.843 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.469 -6.586 -9.945 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.734 -4.805 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.966 -4.415 -8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.202 -6.513 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.957 -6.946 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.409 -4.780 -5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.718 -4.445 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.535 -6.972 -5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.488 -5.563 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.706 -7.387 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.857 -5.842 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.811 -6.984 -7.358 1.00 0.00 H new ATOM 1387 N ARG A 90 -3.511 -5.448 -9.970 1.00 0.00 N ATOM 1388 CA ARG A 90 -2.520 -4.685 -10.717 1.00 0.00 C ATOM 1389 C ARG A 90 -2.686 -3.188 -10.461 1.00 0.00 C ATOM 1390 O ARG A 90 -2.776 -2.400 -11.401 1.00 0.00 O ATOM 1391 CB ARG A 90 -2.666 -4.973 -12.224 1.00 0.00 C ATOM 1392 CG ARG A 90 -1.410 -4.479 -12.999 1.00 0.00 C ATOM 1393 CD ARG A 90 -0.333 -5.577 -13.035 1.00 0.00 C ATOM 1394 NE ARG A 90 0.887 -5.062 -13.649 1.00 0.00 N ATOM 1395 CZ ARG A 90 1.733 -4.289 -12.968 1.00 0.00 C ATOM 1396 NH1 ARG A 90 2.824 -3.855 -13.538 1.00 0.00 N ATOM 1397 NH2 ARG A 90 1.466 -3.962 -11.733 1.00 0.00 N ATOM 0 H ARG A 90 -3.119 -6.139 -9.330 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.528 -4.987 -10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.802 -6.043 -12.384 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.557 -4.477 -12.610 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.689 -4.201 -14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.010 -3.584 -12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.122 -5.924 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.698 -6.437 -13.597 1.00 0.00 H new ATOM 0 HE ARG A 90 1.096 -5.298 -14.619 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.029 -4.107 -14.505 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.471 -3.264 -13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.611 -4.298 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.113 -3.371 -11.211 1.00 0.00 H new ATOM 1411 N VAL A 91 -2.734 -2.806 -9.184 1.00 0.00 N ATOM 1412 CA VAL A 91 -2.900 -1.398 -8.793 1.00 0.00 C ATOM 1413 C VAL A 91 -1.605 -0.844 -8.221 1.00 0.00 C ATOM 1414 O VAL A 91 -1.585 0.241 -7.642 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.013 -1.284 -7.752 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.330 -1.759 -8.368 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.676 -2.156 -6.538 1.00 0.00 C ATOM 0 H VAL A 91 -2.660 -3.451 -8.398 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.164 -0.819 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.108 -0.246 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.127 -1.679 -7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.572 -1.139 -9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.230 -2.798 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.472 -2.072 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.580 -3.195 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.736 -1.821 -6.099 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.522 -1.603 -8.380 1.00 0.00 N ATOM 1428 CA LEU A 92 0.792 -1.198 -7.867 1.00 0.00 C ATOM 1429 C LEU A 92 1.886 -1.515 -8.888 1.00 0.00 C ATOM 1430 O LEU A 92 1.611 -2.039 -9.966 1.00 0.00 O ATOM 1431 CB LEU A 92 1.070 -1.913 -6.523 1.00 0.00 C ATOM 1432 CG LEU A 92 0.606 -3.378 -6.575 1.00 0.00 C ATOM 1433 CD1 LEU A 92 1.376 -4.152 -7.668 1.00 0.00 C ATOM 1434 CD2 LEU A 92 0.861 -4.016 -5.206 1.00 0.00 C ATOM 0 H LEU A 92 -0.525 -2.503 -8.860 1.00 0.00 H new ATOM 0 HA LEU A 92 0.793 -0.121 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.136 -1.873 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.554 -1.392 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.456 -3.417 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.034 -5.187 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.194 -3.689 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.443 -4.127 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.538 -5.057 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.925 -3.971 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.302 -3.475 -4.443 1.00 0.00 H new ATOM 1446 N GLU A 93 3.128 -1.186 -8.537 1.00 0.00 N ATOM 1447 CA GLU A 93 4.273 -1.431 -9.422 1.00 0.00 C ATOM 1448 C GLU A 93 5.549 -1.620 -8.606 1.00 0.00 C ATOM 1449 O GLU A 93 5.549 -1.450 -7.388 1.00 0.00 O ATOM 1450 CB GLU A 93 4.444 -0.260 -10.394 1.00 0.00 C ATOM 1451 CG GLU A 93 4.589 1.048 -9.614 1.00 0.00 C ATOM 1452 CD GLU A 93 4.692 2.220 -10.582 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.985 2.206 -11.577 1.00 0.00 O ATOM 1454 OE2 GLU A 93 5.479 3.114 -10.318 1.00 0.00 O ATOM 0 H GLU A 93 3.370 -0.749 -7.648 1.00 0.00 H new ATOM 0 HA GLU A 93 4.084 -2.342 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.323 -0.420 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.584 -0.202 -11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.733 1.185 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.476 1.008 -8.982 1.00 0.00 H new ATOM 1461 N ARG A 94 6.633 -1.976 -9.290 1.00 0.00 N ATOM 1462 CA ARG A 94 7.913 -2.190 -8.624 1.00 0.00 C ATOM 1463 C ARG A 94 9.019 -2.410 -9.651 1.00 0.00 C ATOM 1464 O ARG A 94 8.703 -2.462 -10.828 1.00 0.00 O ATOM 1465 CB ARG A 94 7.824 -3.406 -7.695 1.00 0.00 C ATOM 1466 CG ARG A 94 7.359 -4.632 -8.489 1.00 0.00 C ATOM 1467 CD ARG A 94 7.226 -5.832 -7.548 1.00 0.00 C ATOM 1468 NE ARG A 94 8.537 -6.219 -7.036 1.00 0.00 N ATOM 1469 CZ ARG A 94 9.427 -6.836 -7.810 1.00 0.00 C ATOM 1470 NH1 ARG A 94 10.592 -7.172 -7.327 1.00 0.00 N ATOM 1471 NH2 ARG A 94 9.135 -7.105 -9.054 1.00 0.00 N ATOM 1472 OXT ARG A 94 10.164 -2.523 -9.246 1.00 0.00 O ATOM 0 H ARG A 94 6.650 -2.122 -10.299 1.00 0.00 H new ATOM 0 HA ARG A 94 8.149 -1.303 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.796 -3.602 -7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.128 -3.203 -6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.402 -4.426 -8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.072 -4.856 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.563 -5.582 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.772 -6.670 -8.077 1.00 0.00 H new ATOM 0 HE ARG A 94 8.776 -6.013 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.821 -6.962 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.273 -7.645 -7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.225 -6.842 -9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.817 -7.578 -9.647 1.00 0.00 H new TER 1486 ARG A 94