USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 508 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 NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 43 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-2.7!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -160:sc= -1.66! USER MOD Single : A 56 THR OG1 : rot 99:sc= 1.19 USER MOD Single : A 57 ASN :FLIP amide:sc=-0.00906 F(o=-2.4!,f=-0.0091) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 67:sc= 1.3 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 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 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.501 K(o=-0.5,f=-1.2) USER MOD Single : A 75 SER OG : rot 79:sc= 0.339 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.53) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.00834 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 28.991 -8.263 2.537 1.00 0.00 N ATOM 2 CA ASP A 28 28.574 -9.479 3.242 1.00 0.00 C ATOM 3 C ASP A 28 28.188 -10.523 2.205 1.00 0.00 C ATOM 4 O ASP A 28 27.546 -10.172 1.218 1.00 0.00 O ATOM 5 CB ASP A 28 27.382 -9.172 4.162 1.00 0.00 C ATOM 6 CG ASP A 28 26.987 -10.336 5.032 1.00 0.00 C ATOM 7 OD1 ASP A 28 27.575 -10.501 6.119 1.00 0.00 O ATOM 8 OD2 ASP A 28 26.080 -11.092 4.664 1.00 0.00 O ATOM 0 HA ASP A 28 29.390 -9.855 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 28 27.631 -8.321 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.528 -8.876 3.553 1.00 0.00 H new ATOM 13 N PRO A 29 28.623 -11.810 2.381 1.00 0.00 N ATOM 14 CA PRO A 29 28.333 -12.894 1.432 1.00 0.00 C ATOM 15 C PRO A 29 26.870 -12.978 1.051 1.00 0.00 C ATOM 16 O PRO A 29 26.004 -13.223 1.897 1.00 0.00 O ATOM 17 CB PRO A 29 28.758 -14.170 2.148 1.00 0.00 C ATOM 18 CG PRO A 29 29.153 -13.765 3.532 1.00 0.00 C ATOM 19 CD PRO A 29 29.439 -12.290 3.497 1.00 0.00 C ATOM 0 HA PRO A 29 28.864 -12.726 0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 29 27.942 -14.892 2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 29 29.590 -14.647 1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 29 28.355 -13.986 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 29 30.032 -14.320 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 29 29.163 -11.805 4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 29 30.498 -12.090 3.335 1.00 0.00 H new ATOM 27 N ASN A 30 26.631 -12.804 -0.231 1.00 0.00 N ATOM 28 CA ASN A 30 25.313 -12.727 -0.818 1.00 0.00 C ATOM 29 C ASN A 30 24.394 -11.784 -0.068 1.00 0.00 C ATOM 30 O ASN A 30 23.619 -12.185 0.824 1.00 0.00 O ATOM 31 CB ASN A 30 24.701 -14.098 -1.060 1.00 0.00 C ATOM 32 CG ASN A 30 23.259 -14.051 -1.566 1.00 0.00 C ATOM 33 OD1 ASN A 30 22.299 -14.092 -0.784 1.00 0.00 O ATOM 34 ND2 ASN A 30 23.095 -13.959 -2.855 1.00 0.00 N ATOM 0 H ASN A 30 27.379 -12.709 -0.918 1.00 0.00 H new ATOM 0 HA ASN A 30 25.442 -12.284 -1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.313 -14.636 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 30 24.732 -14.668 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 30 22.155 -13.918 -3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.907 -13.927 -3.471 1.00 0.00 H new ATOM 41 N ALA A 31 24.554 -10.539 -0.367 1.00 0.00 N ATOM 42 CA ALA A 31 23.761 -9.489 0.179 1.00 0.00 C ATOM 43 C ALA A 31 23.905 -8.279 -0.699 1.00 0.00 C ATOM 44 O ALA A 31 24.862 -7.521 -0.569 1.00 0.00 O ATOM 45 CB ALA A 31 24.181 -9.160 1.615 1.00 0.00 C ATOM 0 H ALA A 31 25.265 -10.213 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 31 22.719 -9.808 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 31 23.556 -8.355 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.062 -10.044 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 31 25.225 -8.846 1.626 1.00 0.00 H new ATOM 51 N GLU A 32 23.005 -8.139 -1.657 1.00 0.00 N ATOM 52 CA GLU A 32 22.999 -6.995 -2.519 1.00 0.00 C ATOM 53 C GLU A 32 22.437 -5.824 -1.747 1.00 0.00 C ATOM 54 O GLU A 32 22.664 -4.651 -2.069 1.00 0.00 O ATOM 55 CB GLU A 32 22.159 -7.236 -3.781 1.00 0.00 C ATOM 56 CG GLU A 32 22.636 -8.351 -4.727 1.00 0.00 C ATOM 57 CD GLU A 32 22.546 -9.731 -4.135 1.00 0.00 C ATOM 58 OE1 GLU A 32 21.428 -10.274 -4.059 1.00 0.00 O ATOM 59 OE2 GLU A 32 23.573 -10.278 -3.714 1.00 0.00 O ATOM 0 H GLU A 32 22.267 -8.816 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 32 24.020 -6.793 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.139 -7.465 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 32 22.119 -6.305 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 32 22.042 -8.318 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 32 23.670 -8.155 -5.012 1.00 0.00 H new ATOM 66 N PHE A 33 21.710 -6.172 -0.730 1.00 0.00 N ATOM 67 CA PHE A 33 21.104 -5.256 0.170 1.00 0.00 C ATOM 68 C PHE A 33 22.092 -4.936 1.286 1.00 0.00 C ATOM 69 O PHE A 33 22.847 -5.814 1.715 1.00 0.00 O ATOM 70 CB PHE A 33 19.808 -5.894 0.746 1.00 0.00 C ATOM 71 CG PHE A 33 20.017 -7.216 1.462 1.00 0.00 C ATOM 72 CD1 PHE A 33 19.974 -8.413 0.764 1.00 0.00 C ATOM 73 CD2 PHE A 33 20.257 -7.255 2.830 1.00 0.00 C ATOM 74 CE1 PHE A 33 20.174 -9.617 1.412 1.00 0.00 C ATOM 75 CE2 PHE A 33 20.454 -8.459 3.479 1.00 0.00 C ATOM 76 CZ PHE A 33 20.411 -9.640 2.765 1.00 0.00 C ATOM 0 H PHE A 33 21.518 -7.147 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 33 20.840 -4.331 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.349 -5.189 1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.100 -6.046 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.782 -8.404 -0.299 1.00 0.00 H new ATOM 0 HD2 PHE A 33 20.290 -6.334 3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.144 -10.541 0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 33 20.641 -8.476 4.543 1.00 0.00 H new ATOM 0 HZ PHE A 33 20.564 -10.582 3.270 1.00 0.00 H new ATOM 86 N ASP A 34 22.119 -3.690 1.707 1.00 0.00 N ATOM 87 CA ASP A 34 22.948 -3.272 2.834 1.00 0.00 C ATOM 88 C ASP A 34 22.499 -4.022 4.089 1.00 0.00 C ATOM 89 O ASP A 34 21.329 -3.958 4.460 1.00 0.00 O ATOM 90 CB ASP A 34 22.821 -1.762 3.068 1.00 0.00 C ATOM 91 CG ASP A 34 23.733 -1.268 4.171 1.00 0.00 C ATOM 92 OD1 ASP A 34 23.347 -1.304 5.327 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.861 -0.826 3.875 1.00 0.00 O ATOM 0 H ASP A 34 21.574 -2.938 1.286 1.00 0.00 H new ATOM 0 HA ASP A 34 23.990 -3.502 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 34 23.054 -1.233 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.788 -1.522 3.320 1.00 0.00 H new ATOM 98 N PRO A 35 23.409 -4.742 4.755 1.00 0.00 N ATOM 99 CA PRO A 35 23.067 -5.563 5.929 1.00 0.00 C ATOM 100 C PRO A 35 22.738 -4.741 7.187 1.00 0.00 C ATOM 101 O PRO A 35 22.187 -5.268 8.165 1.00 0.00 O ATOM 102 CB PRO A 35 24.329 -6.402 6.149 1.00 0.00 C ATOM 103 CG PRO A 35 25.434 -5.578 5.578 1.00 0.00 C ATOM 104 CD PRO A 35 24.845 -4.836 4.413 1.00 0.00 C ATOM 0 HA PRO A 35 22.163 -6.146 5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 35 24.491 -6.603 7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 35 24.255 -7.367 5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.827 -4.885 6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.264 -6.208 5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.295 -3.850 4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.000 -5.371 3.476 1.00 0.00 H new ATOM 112 N ASP A 36 23.048 -3.469 7.150 1.00 0.00 N ATOM 113 CA ASP A 36 22.825 -2.580 8.280 1.00 0.00 C ATOM 114 C ASP A 36 21.434 -1.962 8.190 1.00 0.00 C ATOM 115 O ASP A 36 20.840 -1.558 9.196 1.00 0.00 O ATOM 116 CB ASP A 36 23.905 -1.510 8.291 1.00 0.00 C ATOM 117 CG ASP A 36 23.777 -0.499 9.401 1.00 0.00 C ATOM 118 OD1 ASP A 36 24.227 -0.779 10.534 1.00 0.00 O ATOM 119 OD2 ASP A 36 23.281 0.615 9.146 1.00 0.00 O ATOM 0 H ASP A 36 23.463 -3.013 6.338 1.00 0.00 H new ATOM 0 HA ASP A 36 22.880 -3.141 9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.878 -1.995 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.887 -0.985 7.336 1.00 0.00 H new ATOM 124 N LEU A 37 20.923 -1.886 6.988 1.00 0.00 N ATOM 125 CA LEU A 37 19.560 -1.436 6.754 1.00 0.00 C ATOM 126 C LEU A 37 18.624 -2.627 6.609 1.00 0.00 C ATOM 127 O LEU A 37 19.027 -3.669 6.097 1.00 0.00 O ATOM 128 CB LEU A 37 19.439 -0.539 5.504 1.00 0.00 C ATOM 129 CG LEU A 37 19.870 0.930 5.608 1.00 0.00 C ATOM 130 CD1 LEU A 37 21.342 1.073 5.876 1.00 0.00 C ATOM 131 CD2 LEU A 37 19.473 1.686 4.354 1.00 0.00 C ATOM 0 H LEU A 37 21.433 -2.132 6.140 1.00 0.00 H new ATOM 0 HA LEU A 37 19.276 -0.841 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.024 -1.000 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.397 -0.556 5.184 1.00 0.00 H new ATOM 0 HG LEU A 37 19.349 1.364 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.599 2.130 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.590 0.581 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.906 0.612 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.785 2.727 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.957 1.234 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.391 1.641 4.229 1.00 0.00 H new ATOM 143 N PRO A 38 17.361 -2.511 7.069 1.00 0.00 N ATOM 144 CA PRO A 38 16.374 -3.581 6.912 1.00 0.00 C ATOM 145 C PRO A 38 16.102 -3.837 5.436 1.00 0.00 C ATOM 146 O PRO A 38 15.567 -2.969 4.732 1.00 0.00 O ATOM 147 CB PRO A 38 15.115 -3.039 7.608 1.00 0.00 C ATOM 148 CG PRO A 38 15.606 -1.937 8.483 1.00 0.00 C ATOM 149 CD PRO A 38 16.794 -1.349 7.778 1.00 0.00 C ATOM 0 HA PRO A 38 16.709 -4.528 7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.389 -2.674 6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.620 -3.816 8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.831 -1.185 8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.883 -2.314 9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.504 -0.557 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.507 -0.916 8.479 1.00 0.00 H new ATOM 157 N GLY A 39 16.536 -4.999 4.961 1.00 0.00 N ATOM 158 CA GLY A 39 16.388 -5.351 3.569 1.00 0.00 C ATOM 159 C GLY A 39 17.173 -4.412 2.687 1.00 0.00 C ATOM 160 O GLY A 39 16.780 -4.130 1.547 1.00 0.00 O ATOM 0 H GLY A 39 16.994 -5.711 5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.729 -6.374 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.334 -5.320 3.292 1.00 0.00 H new ATOM 164 N GLY A 40 18.267 -3.880 3.247 1.00 0.00 N ATOM 165 CA GLY A 40 19.116 -2.929 2.550 1.00 0.00 C ATOM 166 C GLY A 40 18.425 -1.622 2.297 1.00 0.00 C ATOM 167 O GLY A 40 18.944 -0.759 1.580 1.00 0.00 O ATOM 0 H GLY A 40 18.580 -4.101 4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.017 -2.752 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.434 -3.358 1.600 1.00 0.00 H new ATOM 171 N GLY A 41 17.245 -1.470 2.880 1.00 0.00 N ATOM 172 CA GLY A 41 16.447 -0.307 2.648 1.00 0.00 C ATOM 173 C GLY A 41 15.958 -0.247 1.213 1.00 0.00 C ATOM 174 O GLY A 41 15.548 0.799 0.739 1.00 0.00 O ATOM 0 H GLY A 41 16.830 -2.149 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.593 -0.309 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.030 0.586 2.873 1.00 0.00 H new ATOM 178 N LEU A 42 16.031 -1.370 0.522 1.00 0.00 N ATOM 179 CA LEU A 42 15.625 -1.449 -0.854 1.00 0.00 C ATOM 180 C LEU A 42 14.155 -1.755 -0.931 1.00 0.00 C ATOM 181 O LEU A 42 13.468 -1.363 -1.862 1.00 0.00 O ATOM 182 CB LEU A 42 16.418 -2.539 -1.557 1.00 0.00 C ATOM 183 CG LEU A 42 17.936 -2.359 -1.607 1.00 0.00 C ATOM 184 CD1 LEU A 42 18.585 -3.552 -2.284 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.305 -1.069 -2.338 1.00 0.00 C ATOM 0 H LEU A 42 16.375 -2.250 0.907 1.00 0.00 H new ATOM 0 HA LEU A 42 15.816 -0.494 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.204 -3.487 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.051 -2.621 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 42 18.307 -2.291 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.665 -3.411 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.352 -4.458 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.204 -3.645 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.389 -0.962 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.922 -1.106 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.867 -0.218 -1.817 1.00 0.00 H new ATOM 197 N HIS A 43 13.682 -2.429 0.075 1.00 0.00 N ATOM 198 CA HIS A 43 12.315 -2.825 0.147 1.00 0.00 C ATOM 199 C HIS A 43 11.634 -1.823 1.014 1.00 0.00 C ATOM 200 O HIS A 43 11.677 -1.917 2.234 1.00 0.00 O ATOM 201 CB HIS A 43 12.167 -4.232 0.748 1.00 0.00 C ATOM 202 CG HIS A 43 13.005 -5.282 0.072 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.686 -5.826 -1.134 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.162 -5.879 0.453 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.595 -6.712 -1.474 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.503 -6.763 -0.531 1.00 0.00 N ATOM 0 H HIS A 43 14.244 -2.720 0.875 1.00 0.00 H new ATOM 0 HA HIS A 43 11.876 -2.863 -0.850 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.435 -4.194 1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.120 -4.529 0.695 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.711 -5.691 1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.594 -7.300 -2.380 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.328 -7.363 -0.531 1.00 0.00 H new ATOM 215 N ARG A 44 11.095 -0.832 0.403 1.00 0.00 N ATOM 216 CA ARG A 44 10.510 0.262 1.121 1.00 0.00 C ATOM 217 C ARG A 44 9.270 0.811 0.484 1.00 0.00 C ATOM 218 O ARG A 44 9.118 0.847 -0.736 1.00 0.00 O ATOM 219 CB ARG A 44 11.522 1.379 1.267 1.00 0.00 C ATOM 220 CG ARG A 44 12.168 1.772 -0.051 1.00 0.00 C ATOM 221 CD ARG A 44 13.186 2.875 0.095 1.00 0.00 C ATOM 222 NE ARG A 44 13.817 3.155 -1.193 1.00 0.00 N ATOM 223 CZ ARG A 44 14.786 4.046 -1.414 1.00 0.00 C ATOM 224 NH1 ARG A 44 15.242 4.824 -0.427 1.00 0.00 N ATOM 225 NH2 ARG A 44 15.293 4.163 -2.639 1.00 0.00 N ATOM 0 H ARG A 44 11.042 -0.748 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 44 10.219 -0.137 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.032 2.251 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.298 1.070 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.649 0.897 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.393 2.091 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.704 3.776 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.943 2.586 0.824 1.00 0.00 H new ATOM 0 HE ARG A 44 13.487 2.621 -1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.849 4.741 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.983 5.500 -0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.941 3.576 -3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.034 4.840 -2.822 1.00 0.00 H new ATOM 239 N CYS A 45 8.392 1.209 1.329 1.00 0.00 N ATOM 240 CA CYS A 45 7.206 1.919 0.943 1.00 0.00 C ATOM 241 C CYS A 45 7.484 3.385 1.130 1.00 0.00 C ATOM 242 O CYS A 45 7.741 3.824 2.255 1.00 0.00 O ATOM 243 CB CYS A 45 5.998 1.472 1.781 1.00 0.00 C ATOM 244 SG CYS A 45 4.468 2.486 1.576 1.00 0.00 S ATOM 0 H CYS A 45 8.470 1.052 2.334 1.00 0.00 H new ATOM 0 HA CYS A 45 6.957 1.709 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.764 0.438 1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.283 1.485 2.833 1.00 0.00 H new ATOM 249 N LEU A 46 7.441 4.137 0.061 1.00 0.00 N ATOM 250 CA LEU A 46 7.741 5.567 0.100 1.00 0.00 C ATOM 251 C LEU A 46 6.711 6.299 0.933 1.00 0.00 C ATOM 252 O LEU A 46 7.025 7.240 1.656 1.00 0.00 O ATOM 253 CB LEU A 46 7.766 6.136 -1.310 1.00 0.00 C ATOM 254 CG LEU A 46 8.783 5.535 -2.261 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.675 6.183 -3.623 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.206 5.655 -1.716 1.00 0.00 C ATOM 0 H LEU A 46 7.199 3.787 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 46 8.722 5.703 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.775 6.012 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.953 7.208 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 46 8.561 4.472 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.411 5.742 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.674 6.022 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.862 7.253 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.906 5.213 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.452 6.707 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.276 5.131 -0.763 1.00 0.00 H new ATOM 268 N ALA A 47 5.490 5.827 0.849 1.00 0.00 N ATOM 269 CA ALA A 47 4.369 6.395 1.577 1.00 0.00 C ATOM 270 C ALA A 47 4.510 6.210 3.098 1.00 0.00 C ATOM 271 O ALA A 47 3.828 6.880 3.873 1.00 0.00 O ATOM 272 CB ALA A 47 3.068 5.791 1.085 1.00 0.00 C ATOM 0 H ALA A 47 5.239 5.028 0.267 1.00 0.00 H new ATOM 0 HA ALA A 47 4.362 7.468 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.234 6.224 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.948 6.002 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.086 4.712 1.241 1.00 0.00 H new ATOM 278 N CYS A 48 5.374 5.289 3.520 1.00 0.00 N ATOM 279 CA CYS A 48 5.591 5.060 4.944 1.00 0.00 C ATOM 280 C CYS A 48 7.013 5.386 5.381 1.00 0.00 C ATOM 281 O CYS A 48 7.296 5.498 6.581 1.00 0.00 O ATOM 282 CB CYS A 48 5.145 3.647 5.372 1.00 0.00 C ATOM 283 SG CYS A 48 3.429 3.411 5.143 1.00 0.00 S ATOM 0 H CYS A 48 5.929 4.696 2.903 1.00 0.00 H new ATOM 0 HA CYS A 48 4.951 5.764 5.476 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.694 2.902 4.796 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.397 3.488 6.421 1.00 0.00 H new ATOM 288 N ALA A 49 7.910 5.524 4.393 1.00 0.00 N ATOM 289 CA ALA A 49 9.325 5.878 4.608 1.00 0.00 C ATOM 290 C ALA A 49 10.055 4.829 5.460 1.00 0.00 C ATOM 291 O ALA A 49 11.155 5.069 5.960 1.00 0.00 O ATOM 292 CB ALA A 49 9.433 7.273 5.232 1.00 0.00 C ATOM 0 H ALA A 49 7.672 5.392 3.410 1.00 0.00 H new ATOM 0 HA ALA A 49 9.818 5.893 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.483 7.523 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.980 8.006 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.913 7.284 6.190 1.00 0.00 H new ATOM 298 N ARG A 50 9.465 3.654 5.567 1.00 0.00 N ATOM 299 CA ARG A 50 10.012 2.597 6.388 1.00 0.00 C ATOM 300 C ARG A 50 10.630 1.538 5.510 1.00 0.00 C ATOM 301 O ARG A 50 10.205 1.347 4.359 1.00 0.00 O ATOM 302 CB ARG A 50 8.927 1.964 7.256 1.00 0.00 C ATOM 303 CG ARG A 50 8.184 2.933 8.153 1.00 0.00 C ATOM 304 CD ARG A 50 7.161 2.202 8.983 1.00 0.00 C ATOM 305 NE ARG A 50 6.315 3.094 9.778 1.00 0.00 N ATOM 306 CZ ARG A 50 5.886 2.825 11.018 1.00 0.00 C ATOM 307 NH1 ARG A 50 6.383 1.788 11.688 1.00 0.00 N ATOM 308 NH2 ARG A 50 4.980 3.606 11.586 1.00 0.00 N ATOM 0 H ARG A 50 8.598 3.408 5.089 1.00 0.00 H new ATOM 0 HA ARG A 50 10.772 3.029 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.206 1.467 6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.382 1.192 7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.889 3.449 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.693 3.695 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.530 1.605 8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.673 1.508 9.650 1.00 0.00 H new ATOM 0 HE ARG A 50 6.033 3.980 9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.093 1.195 11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.054 1.586 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.610 4.410 11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.652 3.403 12.530 1.00 0.00 H new ATOM 322 N TYR A 51 11.604 0.853 6.037 1.00 0.00 N ATOM 323 CA TYR A 51 12.303 -0.147 5.333 1.00 0.00 C ATOM 324 C TYR A 51 11.858 -1.519 5.821 1.00 0.00 C ATOM 325 O TYR A 51 11.679 -1.737 7.030 1.00 0.00 O ATOM 326 CB TYR A 51 13.781 0.035 5.596 1.00 0.00 C ATOM 327 CG TYR A 51 14.305 1.415 5.255 1.00 0.00 C ATOM 328 CD1 TYR A 51 14.336 1.867 3.943 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.774 2.265 6.249 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.817 3.120 3.632 1.00 0.00 C ATOM 331 CE2 TYR A 51 15.256 3.522 5.944 1.00 0.00 C ATOM 332 CZ TYR A 51 15.274 3.943 4.634 1.00 0.00 C ATOM 333 OH TYR A 51 15.754 5.192 4.323 1.00 0.00 O ATOM 0 H TYR A 51 11.931 0.989 6.993 1.00 0.00 H new ATOM 0 HA TYR A 51 12.100 -0.071 4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.979 -0.167 6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.336 -0.705 5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.977 1.225 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.761 1.937 7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.835 3.454 2.605 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.617 4.171 6.728 1.00 0.00 H new ATOM 0 HH TYR A 51 16.037 5.647 5.143 1.00 0.00 H new ATOM 343 N PHE A 52 11.666 -2.419 4.900 1.00 0.00 N ATOM 344 CA PHE A 52 11.217 -3.756 5.199 1.00 0.00 C ATOM 345 C PHE A 52 12.315 -4.741 4.895 1.00 0.00 C ATOM 346 O PHE A 52 13.086 -4.549 3.946 1.00 0.00 O ATOM 347 CB PHE A 52 9.960 -4.098 4.389 1.00 0.00 C ATOM 348 CG PHE A 52 8.789 -3.187 4.665 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.716 -1.930 4.081 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.765 -3.586 5.504 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.653 -1.094 4.330 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.695 -2.752 5.756 1.00 0.00 C ATOM 353 CZ PHE A 52 6.641 -1.504 5.166 1.00 0.00 C ATOM 0 H PHE A 52 11.818 -2.247 3.906 1.00 0.00 H new ATOM 0 HA PHE A 52 10.967 -3.813 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.201 -4.053 3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.668 -5.125 4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.506 -1.604 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.803 -4.561 5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.613 -0.118 3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.901 -3.074 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.804 -0.850 5.361 1.00 0.00 H new ATOM 363 N ILE A 53 12.376 -5.799 5.673 1.00 0.00 N ATOM 364 CA ILE A 53 13.411 -6.782 5.552 1.00 0.00 C ATOM 365 C ILE A 53 13.272 -7.598 4.274 1.00 0.00 C ATOM 366 O ILE A 53 14.267 -7.993 3.670 1.00 0.00 O ATOM 367 CB ILE A 53 13.458 -7.723 6.782 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.135 -8.500 6.961 1.00 0.00 C ATOM 369 CG2 ILE A 53 13.804 -6.935 8.042 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.146 -9.493 8.110 1.00 0.00 C ATOM 0 H ILE A 53 11.700 -5.996 6.411 1.00 0.00 H new ATOM 0 HA ILE A 53 14.352 -6.233 5.505 1.00 0.00 H new ATOM 0 HB ILE A 53 14.242 -8.460 6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.326 -7.786 7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.912 -9.033 6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.833 -7.610 8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.779 -6.463 7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.048 -6.168 8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.180 -9.995 8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.930 -10.232 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.335 -8.966 9.045 1.00 0.00 H new ATOM 382 N ASP A 54 12.047 -7.828 3.841 1.00 0.00 N ATOM 383 CA ASP A 54 11.832 -8.625 2.658 1.00 0.00 C ATOM 384 C ASP A 54 10.735 -8.018 1.809 1.00 0.00 C ATOM 385 O ASP A 54 9.801 -7.398 2.335 1.00 0.00 O ATOM 386 CB ASP A 54 11.509 -10.087 3.035 1.00 0.00 C ATOM 387 CG ASP A 54 11.305 -10.990 1.831 1.00 0.00 C ATOM 388 OD1 ASP A 54 10.183 -11.100 1.358 1.00 0.00 O ATOM 389 OD2 ASP A 54 12.276 -11.598 1.345 1.00 0.00 O ATOM 0 H ASP A 54 11.199 -7.478 4.286 1.00 0.00 H new ATOM 0 HA ASP A 54 12.749 -8.633 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.320 -10.485 3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.609 -10.105 3.650 1.00 0.00 H new ATOM 394 N SER A 55 10.858 -8.186 0.513 1.00 0.00 N ATOM 395 CA SER A 55 9.926 -7.663 -0.466 1.00 0.00 C ATOM 396 C SER A 55 8.517 -8.205 -0.236 1.00 0.00 C ATOM 397 O SER A 55 7.549 -7.491 -0.432 1.00 0.00 O ATOM 398 CB SER A 55 10.432 -8.036 -1.876 1.00 0.00 C ATOM 399 OG SER A 55 9.555 -7.624 -2.894 1.00 0.00 O ATOM 0 H SER A 55 11.631 -8.705 0.096 1.00 0.00 H new ATOM 0 HA SER A 55 9.871 -6.579 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.410 -7.582 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.568 -9.116 -1.935 1.00 0.00 H new ATOM 0 HG SER A 55 9.736 -8.137 -3.709 1.00 0.00 H new ATOM 405 N THR A 56 8.407 -9.447 0.226 1.00 0.00 N ATOM 406 CA THR A 56 7.112 -10.056 0.442 1.00 0.00 C ATOM 407 C THR A 56 6.378 -9.304 1.551 1.00 0.00 C ATOM 408 O THR A 56 5.177 -9.083 1.470 1.00 0.00 O ATOM 409 CB THR A 56 7.259 -11.523 0.840 1.00 0.00 C ATOM 410 OG1 THR A 56 8.228 -12.144 -0.020 1.00 0.00 O ATOM 411 CG2 THR A 56 5.931 -12.261 0.707 1.00 0.00 C ATOM 0 H THR A 56 9.201 -10.045 0.456 1.00 0.00 H new ATOM 0 HA THR A 56 6.545 -10.003 -0.487 1.00 0.00 H new ATOM 0 HB THR A 56 7.581 -11.572 1.880 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.093 -12.185 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.063 -13.303 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.189 -11.796 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.590 -12.212 -0.327 1.00 0.00 H new ATOM 419 N ASN A 57 7.136 -8.875 2.561 1.00 0.00 N ATOM 420 CA ASN A 57 6.617 -8.106 3.662 1.00 0.00 C ATOM 421 C ASN A 57 6.144 -6.763 3.191 1.00 0.00 C ATOM 422 O ASN A 57 5.067 -6.304 3.556 1.00 0.00 O ATOM 423 CB ASN A 57 7.688 -7.953 4.748 1.00 0.00 C ATOM 424 CG ASN A 57 7.823 -9.153 5.661 1.00 0.00 C ATOM 425 OD1 ASN A 57 8.706 -10.065 5.329 1.00 0.00 O flip ATOM 426 ND2 ASN A 57 7.143 -9.245 6.676 1.00 0.00 N flip ATOM 0 H ASN A 57 8.137 -9.061 2.626 1.00 0.00 H new ATOM 0 HA ASN A 57 5.764 -8.635 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.649 -7.764 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.454 -7.076 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.466 -8.517 6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.254 -10.049 7.293 1.00 0.00 H new ATOM 433 N LEU A 58 6.940 -6.159 2.355 1.00 0.00 N ATOM 434 CA LEU A 58 6.636 -4.880 1.780 1.00 0.00 C ATOM 435 C LEU A 58 5.383 -4.963 0.892 1.00 0.00 C ATOM 436 O LEU A 58 4.481 -4.134 0.989 1.00 0.00 O ATOM 437 CB LEU A 58 7.895 -4.353 1.048 1.00 0.00 C ATOM 438 CG LEU A 58 7.781 -3.073 0.234 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.191 -3.320 -1.125 1.00 0.00 C ATOM 440 CD2 LEU A 58 7.010 -2.022 1.002 1.00 0.00 C ATOM 0 H LEU A 58 7.832 -6.548 2.049 1.00 0.00 H new ATOM 0 HA LEU A 58 6.385 -4.157 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.674 -4.202 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.243 -5.140 0.380 1.00 0.00 H new ATOM 0 HG LEU A 58 8.789 -2.694 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.128 -2.379 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.823 -4.017 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.193 -3.744 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.939 -1.114 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.008 -2.392 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.527 -1.802 1.936 1.00 0.00 H new ATOM 452 N LYS A 59 5.353 -5.935 0.043 1.00 0.00 N ATOM 453 CA LYS A 59 4.178 -6.192 -0.808 1.00 0.00 C ATOM 454 C LYS A 59 2.924 -6.493 0.030 1.00 0.00 C ATOM 455 O LYS A 59 1.841 -5.980 -0.258 1.00 0.00 O ATOM 456 CB LYS A 59 4.463 -7.303 -1.818 1.00 0.00 C ATOM 457 CG LYS A 59 5.560 -6.938 -2.804 1.00 0.00 C ATOM 458 CD LYS A 59 5.873 -8.078 -3.745 1.00 0.00 C ATOM 459 CE LYS A 59 6.978 -7.695 -4.715 1.00 0.00 C ATOM 460 NZ LYS A 59 7.333 -8.805 -5.625 1.00 0.00 N ATOM 0 H LYS A 59 6.125 -6.586 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 59 3.973 -5.281 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.749 -8.209 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.549 -7.532 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.254 -6.065 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.461 -6.660 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.175 -8.955 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.976 -8.353 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.661 -6.833 -5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.862 -7.391 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.090 -8.498 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.661 -9.619 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.498 -9.080 -6.180 1.00 0.00 H new ATOM 474 N THR A 60 3.087 -7.296 1.087 1.00 0.00 N ATOM 475 CA THR A 60 2.000 -7.585 2.029 1.00 0.00 C ATOM 476 C THR A 60 1.515 -6.281 2.677 1.00 0.00 C ATOM 477 O THR A 60 0.333 -6.104 2.986 1.00 0.00 O ATOM 478 CB THR A 60 2.479 -8.571 3.113 1.00 0.00 C ATOM 479 OG1 THR A 60 2.866 -9.807 2.505 1.00 0.00 O ATOM 480 CG2 THR A 60 1.419 -8.838 4.170 1.00 0.00 C ATOM 0 H THR A 60 3.967 -7.760 1.312 1.00 0.00 H new ATOM 0 HA THR A 60 1.173 -8.043 1.486 1.00 0.00 H new ATOM 0 HB THR A 60 3.330 -8.109 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.666 -9.666 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.810 -9.539 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.153 -7.903 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.534 -9.264 3.698 1.00 0.00 H new ATOM 488 N HIS A 61 2.434 -5.380 2.840 1.00 0.00 N ATOM 489 CA HIS A 61 2.169 -4.078 3.355 1.00 0.00 C ATOM 490 C HIS A 61 1.201 -3.254 2.441 1.00 0.00 C ATOM 491 O HIS A 61 0.486 -2.381 2.935 1.00 0.00 O ATOM 492 CB HIS A 61 3.508 -3.345 3.671 1.00 0.00 C ATOM 493 CG HIS A 61 3.353 -1.912 3.975 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.869 -1.440 5.159 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.515 -0.840 3.185 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.729 -0.151 5.061 1.00 0.00 C ATOM 497 NE2 HIS A 61 3.116 0.227 3.901 1.00 0.00 N ATOM 0 H HIS A 61 3.415 -5.537 2.611 1.00 0.00 H new ATOM 0 HA HIS A 61 1.628 -4.183 4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.987 -3.835 4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.179 -3.454 2.819 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.653 -2.003 5.982 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.892 -0.834 2.173 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.347 0.498 5.835 1.00 0.00 H new ATOM 505 N PHE A 62 1.170 -3.512 1.125 1.00 0.00 N ATOM 506 CA PHE A 62 0.251 -2.734 0.277 1.00 0.00 C ATOM 507 C PHE A 62 -0.969 -3.542 -0.097 1.00 0.00 C ATOM 508 O PHE A 62 -1.898 -2.999 -0.702 1.00 0.00 O ATOM 509 CB PHE A 62 0.853 -2.266 -1.037 1.00 0.00 C ATOM 510 CG PHE A 62 2.206 -1.700 -0.984 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.484 -0.564 -0.261 1.00 0.00 C ATOM 512 CD2 PHE A 62 3.208 -2.320 -1.670 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.760 -0.062 -0.228 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.471 -1.843 -1.646 1.00 0.00 C ATOM 515 CZ PHE A 62 4.774 -0.717 -0.933 1.00 0.00 C ATOM 0 H PHE A 62 1.735 -4.212 0.644 1.00 0.00 H new ATOM 0 HA PHE A 62 0.007 -1.868 0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.866 -3.112 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.188 -1.516 -1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.695 -0.065 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.988 -3.209 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.979 0.831 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.248 -2.355 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.785 -0.338 -0.914 1.00 0.00 H new ATOM 525 N ARG A 63 -0.988 -4.842 0.227 1.00 0.00 N ATOM 526 CA ARG A 63 -2.126 -5.669 -0.168 1.00 0.00 C ATOM 527 C ARG A 63 -3.377 -5.250 0.593 1.00 0.00 C ATOM 528 O ARG A 63 -4.494 -5.597 0.221 1.00 0.00 O ATOM 529 CB ARG A 63 -1.861 -7.177 -0.032 1.00 0.00 C ATOM 530 CG ARG A 63 -1.774 -7.701 1.381 1.00 0.00 C ATOM 531 CD ARG A 63 -1.541 -9.201 1.390 1.00 0.00 C ATOM 532 NE ARG A 63 -1.553 -9.743 2.748 1.00 0.00 N ATOM 533 CZ ARG A 63 -1.303 -11.016 3.072 1.00 0.00 C ATOM 534 NH1 ARG A 63 -0.924 -11.892 2.138 1.00 0.00 N ATOM 535 NH2 ARG A 63 -1.407 -11.403 4.336 1.00 0.00 N ATOM 0 H ARG A 63 -0.254 -5.327 0.743 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.287 -5.496 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.654 -7.715 -0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.928 -7.411 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.963 -7.200 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.695 -7.469 1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.311 -9.692 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.584 -9.423 0.918 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.769 -9.099 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.823 -11.592 1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.735 -12.861 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.676 -10.731 5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.218 -12.373 4.590 1.00 0.00 H new ATOM 549 N SER A 64 -3.164 -4.504 1.663 1.00 0.00 N ATOM 550 CA SER A 64 -4.221 -3.896 2.386 1.00 0.00 C ATOM 551 C SER A 64 -4.666 -2.657 1.599 1.00 0.00 C ATOM 552 O SER A 64 -3.945 -1.638 1.544 1.00 0.00 O ATOM 553 CB SER A 64 -3.729 -3.510 3.772 1.00 0.00 C ATOM 554 OG SER A 64 -3.190 -4.647 4.445 1.00 0.00 O ATOM 0 H SER A 64 -2.237 -4.313 2.042 1.00 0.00 H new ATOM 0 HA SER A 64 -5.062 -4.579 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.968 -2.733 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.551 -3.092 4.353 1.00 0.00 H new ATOM 0 HG SER A 64 -2.876 -4.382 5.335 1.00 0.00 H new ATOM 560 N LYS A 65 -5.824 -2.766 0.971 1.00 0.00 N ATOM 561 CA LYS A 65 -6.364 -1.736 0.096 1.00 0.00 C ATOM 562 C LYS A 65 -6.546 -0.401 0.814 1.00 0.00 C ATOM 563 O LYS A 65 -6.421 0.664 0.206 1.00 0.00 O ATOM 564 CB LYS A 65 -7.664 -2.218 -0.497 1.00 0.00 C ATOM 565 CG LYS A 65 -8.349 -1.254 -1.461 1.00 0.00 C ATOM 566 CD LYS A 65 -9.602 -1.871 -2.078 1.00 0.00 C ATOM 567 CE LYS A 65 -10.632 -2.256 -1.025 1.00 0.00 C ATOM 568 NZ LYS A 65 -11.830 -2.884 -1.627 1.00 0.00 N ATOM 0 H LYS A 65 -6.426 -3.585 1.055 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.645 -1.556 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.478 -3.156 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.354 -2.440 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.616 -0.339 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.653 -0.974 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.047 -1.163 -2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.325 -2.755 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.181 -2.945 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.929 -1.368 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.507 -3.131 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.276 -2.217 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.550 -3.745 -2.138 1.00 0.00 H new ATOM 582 N ASP A 66 -6.779 -0.481 2.119 1.00 0.00 N ATOM 583 CA ASP A 66 -6.990 0.687 2.991 1.00 0.00 C ATOM 584 C ASP A 66 -5.841 1.679 2.884 1.00 0.00 C ATOM 585 O ASP A 66 -6.046 2.887 2.911 1.00 0.00 O ATOM 586 CB ASP A 66 -7.098 0.219 4.439 1.00 0.00 C ATOM 587 CG ASP A 66 -7.379 1.340 5.420 1.00 0.00 C ATOM 588 OD1 ASP A 66 -8.559 1.665 5.640 1.00 0.00 O ATOM 589 OD2 ASP A 66 -6.431 1.892 6.011 1.00 0.00 O ATOM 0 H ASP A 66 -6.829 -1.370 2.617 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.907 1.183 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.891 -0.525 4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.169 -0.276 4.722 1.00 0.00 H new ATOM 594 N HIS A 67 -4.648 1.158 2.730 1.00 0.00 N ATOM 595 CA HIS A 67 -3.443 1.988 2.659 1.00 0.00 C ATOM 596 C HIS A 67 -3.433 2.823 1.442 1.00 0.00 C ATOM 597 O HIS A 67 -3.329 4.027 1.516 1.00 0.00 O ATOM 598 CB HIS A 67 -2.187 1.128 2.645 1.00 0.00 C ATOM 599 CG HIS A 67 -0.904 1.853 2.623 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.772 3.143 3.098 1.00 0.00 N ATOM 601 CD2 HIS A 67 0.280 1.354 2.538 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.476 3.362 3.345 1.00 0.00 C ATOM 603 NE2 HIS A 67 1.139 2.302 3.028 1.00 0.00 N ATOM 0 H HIS A 67 -4.472 0.156 2.650 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.453 2.625 3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.202 0.485 3.525 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.227 0.476 1.772 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.532 3.810 3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.544 0.379 2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.892 4.274 3.747 1.00 0.00 H new ATOM 611 N LYS A 68 -3.534 2.189 0.342 1.00 0.00 N ATOM 612 CA LYS A 68 -3.426 2.858 -0.902 1.00 0.00 C ATOM 613 C LYS A 68 -4.646 3.735 -1.124 1.00 0.00 C ATOM 614 O LYS A 68 -4.579 4.767 -1.798 1.00 0.00 O ATOM 615 CB LYS A 68 -3.148 1.864 -1.999 1.00 0.00 C ATOM 616 CG LYS A 68 -1.881 1.002 -1.720 1.00 0.00 C ATOM 617 CD LYS A 68 -1.542 0.132 -2.928 1.00 0.00 C ATOM 618 CE LYS A 68 -2.665 -0.845 -3.252 1.00 0.00 C ATOM 619 NZ LYS A 68 -2.367 -1.678 -4.436 1.00 0.00 N ATOM 0 H LYS A 68 -3.695 1.184 0.272 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.574 3.538 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.010 1.208 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.021 2.396 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.038 1.652 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.050 0.371 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.352 0.768 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.624 -0.421 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.839 -1.491 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.587 -0.290 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.161 -2.325 -4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.227 -1.066 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.503 -2.230 -4.263 1.00 0.00 H new ATOM 633 N LYS A 69 -5.760 3.322 -0.531 1.00 0.00 N ATOM 634 CA LYS A 69 -6.931 4.149 -0.477 1.00 0.00 C ATOM 635 C LYS A 69 -6.642 5.417 0.334 1.00 0.00 C ATOM 636 O LYS A 69 -7.061 6.505 -0.054 1.00 0.00 O ATOM 637 CB LYS A 69 -8.109 3.427 0.156 1.00 0.00 C ATOM 638 CG LYS A 69 -9.290 4.353 0.355 1.00 0.00 C ATOM 639 CD LYS A 69 -10.437 3.706 1.102 1.00 0.00 C ATOM 640 CE LYS A 69 -11.052 2.547 0.340 1.00 0.00 C ATOM 641 NZ LYS A 69 -12.197 1.972 1.076 1.00 0.00 N ATOM 0 H LYS A 69 -5.864 2.412 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.191 4.403 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.405 2.590 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.807 3.010 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.962 5.237 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.645 4.693 -0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.081 3.352 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.205 4.454 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.381 2.887 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.299 1.777 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.598 1.182 0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.876 1.626 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.924 2.703 1.212 1.00 0.00 H new ATOM 655 N ARG A 70 -5.919 5.274 1.465 1.00 0.00 N ATOM 656 CA ARG A 70 -5.579 6.422 2.304 1.00 0.00 C ATOM 657 C ARG A 70 -4.800 7.441 1.494 1.00 0.00 C ATOM 658 O ARG A 70 -4.973 8.623 1.655 1.00 0.00 O ATOM 659 CB ARG A 70 -4.769 5.983 3.533 1.00 0.00 C ATOM 660 CG ARG A 70 -4.356 7.124 4.466 1.00 0.00 C ATOM 661 CD ARG A 70 -5.556 7.838 5.054 1.00 0.00 C ATOM 662 NE ARG A 70 -5.164 8.956 5.918 1.00 0.00 N ATOM 663 CZ ARG A 70 -5.999 9.615 6.725 1.00 0.00 C ATOM 664 NH1 ARG A 70 -7.269 9.225 6.834 1.00 0.00 N ATOM 665 NH2 ARG A 70 -5.562 10.653 7.430 1.00 0.00 N ATOM 0 H ARG A 70 -5.567 4.380 1.808 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.504 6.879 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.357 5.262 4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.871 5.466 3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.739 6.728 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.743 7.838 3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.188 8.208 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.154 7.130 5.627 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.187 9.250 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.604 8.423 6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.906 9.729 7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.588 10.947 7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.200 11.156 8.046 1.00 0.00 H new ATOM 679 N LEU A 71 -3.985 6.948 0.607 1.00 0.00 N ATOM 680 CA LEU A 71 -3.189 7.756 -0.285 1.00 0.00 C ATOM 681 C LEU A 71 -4.067 8.531 -1.261 1.00 0.00 C ATOM 682 O LEU A 71 -3.808 9.705 -1.552 1.00 0.00 O ATOM 683 CB LEU A 71 -2.184 6.856 -1.001 1.00 0.00 C ATOM 684 CG LEU A 71 -0.867 6.546 -0.255 1.00 0.00 C ATOM 685 CD1 LEU A 71 -1.090 5.987 1.135 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.006 5.607 -1.065 1.00 0.00 C ATOM 0 H LEU A 71 -3.849 5.946 0.477 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.641 8.504 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.677 5.910 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.932 7.320 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.353 7.500 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.127 5.790 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.646 6.709 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.657 5.059 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.927 5.404 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.527 4.672 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.247 6.069 -2.023 1.00 0.00 H new ATOM 698 N LYS A 72 -5.116 7.889 -1.744 1.00 0.00 N ATOM 699 CA LYS A 72 -6.077 8.562 -2.612 1.00 0.00 C ATOM 700 C LYS A 72 -6.836 9.611 -1.794 1.00 0.00 C ATOM 701 O LYS A 72 -7.129 10.697 -2.273 1.00 0.00 O ATOM 702 CB LYS A 72 -7.095 7.583 -3.229 1.00 0.00 C ATOM 703 CG LYS A 72 -8.018 8.266 -4.244 1.00 0.00 C ATOM 704 CD LYS A 72 -9.169 7.389 -4.731 1.00 0.00 C ATOM 705 CE LYS A 72 -10.153 7.074 -3.611 1.00 0.00 C ATOM 706 NZ LYS A 72 -11.358 6.382 -4.114 1.00 0.00 N ATOM 0 H LYS A 72 -5.327 6.909 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.520 9.023 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.561 6.768 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.696 7.140 -2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.429 9.169 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.426 8.579 -5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.692 7.894 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.771 6.459 -5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.663 6.452 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.446 7.999 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.002 6.186 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.840 6.986 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.081 5.487 -4.565 1.00 0.00 H new ATOM 720 N GLN A 73 -7.145 9.257 -0.549 1.00 0.00 N ATOM 721 CA GLN A 73 -7.832 10.103 0.370 1.00 0.00 C ATOM 722 C GLN A 73 -6.972 11.343 0.662 1.00 0.00 C ATOM 723 O GLN A 73 -7.478 12.474 0.704 1.00 0.00 O ATOM 724 CB GLN A 73 -8.106 9.264 1.620 1.00 0.00 C ATOM 725 CG GLN A 73 -9.060 9.839 2.623 1.00 0.00 C ATOM 726 CD GLN A 73 -8.539 11.029 3.416 1.00 0.00 C ATOM 727 OE1 GLN A 73 -7.342 11.149 3.690 1.00 0.00 O ATOM 728 NE2 GLN A 73 -9.425 11.909 3.779 1.00 0.00 N ATOM 0 H GLN A 73 -6.909 8.344 -0.160 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.778 10.471 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.491 8.295 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.156 9.080 2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.969 10.141 2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.341 9.053 3.324 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.406 11.776 3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.139 12.732 4.309 1.00 0.00 H new ATOM 737 N LEU A 74 -5.679 11.120 0.835 1.00 0.00 N ATOM 738 CA LEU A 74 -4.726 12.156 1.057 1.00 0.00 C ATOM 739 C LEU A 74 -4.652 13.099 -0.134 1.00 0.00 C ATOM 740 O LEU A 74 -4.469 14.311 0.027 1.00 0.00 O ATOM 741 CB LEU A 74 -3.375 11.534 1.341 1.00 0.00 C ATOM 742 CG LEU A 74 -3.226 10.773 2.665 1.00 0.00 C ATOM 743 CD1 LEU A 74 -1.823 10.212 2.814 1.00 0.00 C ATOM 744 CD2 LEU A 74 -3.575 11.663 3.847 1.00 0.00 C ATOM 0 H LEU A 74 -5.270 10.186 0.822 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.038 12.749 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.139 10.848 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.626 12.325 1.318 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.927 9.938 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.744 9.677 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.616 9.527 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.101 11.028 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.461 11.099 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.908 12.525 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.606 12.004 3.754 1.00 0.00 H new ATOM 756 N SER A 75 -4.838 12.556 -1.307 1.00 0.00 N ATOM 757 CA SER A 75 -4.791 13.331 -2.504 1.00 0.00 C ATOM 758 C SER A 75 -6.186 13.841 -2.869 1.00 0.00 C ATOM 759 O SER A 75 -6.932 13.193 -3.613 1.00 0.00 O ATOM 760 CB SER A 75 -4.195 12.509 -3.645 1.00 0.00 C ATOM 761 OG SER A 75 -2.905 12.021 -3.287 1.00 0.00 O ATOM 0 H SER A 75 -5.026 11.564 -1.453 1.00 0.00 H new ATOM 0 HA SER A 75 -4.150 14.196 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.854 11.673 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.122 13.122 -4.543 1.00 0.00 H new ATOM 0 HG SER A 75 -3.001 11.241 -2.702 1.00 0.00 H new ATOM 767 N VAL A 76 -6.560 14.968 -2.293 1.00 0.00 N ATOM 768 CA VAL A 76 -7.832 15.557 -2.545 1.00 0.00 C ATOM 769 C VAL A 76 -7.808 16.471 -3.760 1.00 0.00 C ATOM 770 O VAL A 76 -8.793 16.552 -4.496 1.00 0.00 O ATOM 771 CB VAL A 76 -8.367 16.308 -1.318 1.00 0.00 C ATOM 772 CG1 VAL A 76 -8.827 15.342 -0.247 1.00 0.00 C ATOM 773 CG2 VAL A 76 -7.320 17.241 -0.737 1.00 0.00 C ATOM 0 H VAL A 76 -5.978 15.491 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.513 14.734 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.217 16.901 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.201 15.901 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.622 14.711 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.989 14.718 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.733 17.756 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.446 16.664 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.028 17.974 -1.489 1.00 0.00 H new ATOM 783 N GLU A 77 -6.687 17.146 -3.953 1.00 0.00 N ATOM 784 CA GLU A 77 -6.471 18.050 -5.092 1.00 0.00 C ATOM 785 C GLU A 77 -6.792 17.376 -6.446 1.00 0.00 C ATOM 786 O GLU A 77 -7.573 17.919 -7.223 1.00 0.00 O ATOM 787 CB GLU A 77 -5.036 18.661 -5.105 1.00 0.00 C ATOM 788 CG GLU A 77 -4.686 19.595 -3.943 1.00 0.00 C ATOM 789 CD GLU A 77 -4.830 18.967 -2.580 1.00 0.00 C ATOM 790 OE1 GLU A 77 -4.440 17.789 -2.402 1.00 0.00 O ATOM 791 OE2 GLU A 77 -5.389 19.624 -1.678 1.00 0.00 O ATOM 0 H GLU A 77 -5.888 17.088 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.175 18.871 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.316 17.843 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.907 19.211 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.659 19.940 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.326 20.476 -3.994 1.00 0.00 H new ATOM 798 N PRO A 78 -6.202 16.196 -6.777 1.00 0.00 N ATOM 799 CA PRO A 78 -6.529 15.507 -7.996 1.00 0.00 C ATOM 800 C PRO A 78 -7.673 14.532 -7.763 1.00 0.00 C ATOM 801 O PRO A 78 -7.504 13.512 -7.096 1.00 0.00 O ATOM 802 CB PRO A 78 -5.236 14.740 -8.341 1.00 0.00 C ATOM 803 CG PRO A 78 -4.342 14.870 -7.131 1.00 0.00 C ATOM 804 CD PRO A 78 -5.189 15.443 -6.031 1.00 0.00 C ATOM 0 HA PRO A 78 -6.850 16.181 -8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.449 13.693 -8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.758 15.159 -9.227 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.937 13.900 -6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.493 15.519 -7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.635 14.664 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.612 16.086 -5.366 1.00 0.00 H new ATOM 812 N TYR A 79 -8.833 14.861 -8.251 1.00 0.00 N ATOM 813 CA TYR A 79 -9.968 13.979 -8.093 1.00 0.00 C ATOM 814 C TYR A 79 -9.982 12.958 -9.211 1.00 0.00 C ATOM 815 O TYR A 79 -9.418 13.196 -10.282 1.00 0.00 O ATOM 816 CB TYR A 79 -11.299 14.764 -8.022 1.00 0.00 C ATOM 817 CG TYR A 79 -11.589 15.649 -9.221 1.00 0.00 C ATOM 818 CD1 TYR A 79 -12.269 15.158 -10.328 1.00 0.00 C ATOM 819 CD2 TYR A 79 -11.188 16.976 -9.234 1.00 0.00 C ATOM 820 CE1 TYR A 79 -12.536 15.967 -11.412 1.00 0.00 C ATOM 821 CE2 TYR A 79 -11.451 17.788 -10.315 1.00 0.00 C ATOM 822 CZ TYR A 79 -12.125 17.282 -11.400 1.00 0.00 C ATOM 823 OH TYR A 79 -12.386 18.095 -12.483 1.00 0.00 O ATOM 0 H TYR A 79 -9.025 15.725 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.868 13.454 -7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.117 14.053 -7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.290 15.384 -7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.593 14.128 -10.340 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.661 17.380 -8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -13.065 15.572 -12.267 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.129 18.819 -10.310 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.030 18.992 -12.312 1.00 0.00 H new ATOM 833 N SER A 80 -10.596 11.837 -8.972 1.00 0.00 N ATOM 834 CA SER A 80 -10.679 10.825 -9.930 1.00 0.00 C ATOM 835 C SER A 80 -12.078 10.869 -10.497 1.00 0.00 C ATOM 836 O SER A 80 -13.022 11.377 -9.845 1.00 0.00 O ATOM 837 CB SER A 80 -10.367 9.463 -9.289 1.00 0.00 C ATOM 838 OG SER A 80 -10.284 8.429 -10.264 1.00 0.00 O ATOM 0 H SER A 80 -11.053 11.617 -8.087 1.00 0.00 H new ATOM 0 HA SER A 80 -9.951 10.970 -10.728 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.426 9.525 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.141 9.217 -8.562 1.00 0.00 H new ATOM 0 HG SER A 80 -10.083 7.578 -9.822 1.00 0.00 H new ATOM 844 N GLN A 81 -12.227 10.370 -11.666 1.00 0.00 N ATOM 845 CA GLN A 81 -13.483 10.434 -12.357 1.00 0.00 C ATOM 846 C GLN A 81 -14.484 9.376 -11.891 1.00 0.00 C ATOM 847 O GLN A 81 -14.709 8.342 -12.541 1.00 0.00 O ATOM 848 CB GLN A 81 -13.329 10.483 -13.882 1.00 0.00 C ATOM 849 CG GLN A 81 -14.650 10.570 -14.622 1.00 0.00 C ATOM 850 CD GLN A 81 -14.494 10.680 -16.113 1.00 0.00 C ATOM 851 OE1 GLN A 81 -13.529 11.250 -16.620 1.00 0.00 O ATOM 852 NE2 GLN A 81 -15.419 10.123 -16.827 1.00 0.00 N ATOM 0 H GLN A 81 -11.484 9.900 -12.184 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.920 11.392 -12.074 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.715 11.343 -14.150 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.794 9.593 -14.214 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.246 9.687 -14.391 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.206 11.434 -14.258 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.205 9.659 -16.372 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.362 10.148 -17.845 1.00 0.00 H new ATOM 861 N GLU A 82 -14.996 9.612 -10.722 1.00 0.00 N ATOM 862 CA GLU A 82 -16.086 8.858 -10.174 1.00 0.00 C ATOM 863 C GLU A 82 -17.060 9.806 -9.480 1.00 0.00 C ATOM 864 O GLU A 82 -18.244 9.510 -9.307 1.00 0.00 O ATOM 865 CB GLU A 82 -15.614 7.651 -9.313 1.00 0.00 C ATOM 866 CG GLU A 82 -14.657 7.947 -8.153 1.00 0.00 C ATOM 867 CD GLU A 82 -15.264 8.788 -7.068 1.00 0.00 C ATOM 868 OE1 GLU A 82 -16.281 8.364 -6.479 1.00 0.00 O ATOM 869 OE2 GLU A 82 -14.723 9.861 -6.770 1.00 0.00 O ATOM 0 H GLU A 82 -14.660 10.352 -10.106 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.636 8.378 -10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.498 7.162 -8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.130 6.933 -9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.319 7.004 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.774 8.454 -8.543 1.00 0.00 H new ATOM 876 N GLU A 83 -16.531 10.948 -9.067 1.00 0.00 N ATOM 877 CA GLU A 83 -17.344 12.040 -8.580 1.00 0.00 C ATOM 878 C GLU A 83 -17.621 12.979 -9.752 1.00 0.00 C ATOM 879 O GLU A 83 -18.620 13.703 -9.784 1.00 0.00 O ATOM 880 CB GLU A 83 -16.636 12.769 -7.425 1.00 0.00 C ATOM 881 CG GLU A 83 -17.421 13.943 -6.866 1.00 0.00 C ATOM 882 CD GLU A 83 -16.819 14.510 -5.613 1.00 0.00 C ATOM 883 OE1 GLU A 83 -15.974 15.420 -5.694 1.00 0.00 O ATOM 884 OE2 GLU A 83 -17.196 14.061 -4.513 1.00 0.00 O ATOM 0 H GLU A 83 -15.529 11.138 -9.062 1.00 0.00 H new ATOM 0 HA GLU A 83 -18.288 11.666 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.444 12.057 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.667 13.125 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.479 14.727 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.443 13.624 -6.659 1.00 0.00 H new ATOM 891 N ALA A 84 -16.734 12.930 -10.722 1.00 0.00 N ATOM 892 CA ALA A 84 -16.872 13.693 -11.932 1.00 0.00 C ATOM 893 C ALA A 84 -17.598 12.845 -12.954 1.00 0.00 C ATOM 894 O ALA A 84 -17.597 11.611 -12.841 1.00 0.00 O ATOM 895 CB ALA A 84 -15.507 14.102 -12.457 1.00 0.00 C ATOM 0 H ALA A 84 -15.893 12.354 -10.688 1.00 0.00 H new ATOM 0 HA ALA A 84 -17.441 14.601 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.628 14.679 -13.374 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.997 14.710 -11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -14.915 13.211 -12.665 1.00 0.00 H new ATOM 901 N GLU A 85 -18.198 13.500 -13.934 1.00 0.00 N ATOM 902 CA GLU A 85 -18.990 12.890 -14.965 1.00 0.00 C ATOM 903 C GLU A 85 -20.311 12.384 -14.419 1.00 0.00 C ATOM 904 O GLU A 85 -20.402 11.313 -13.802 1.00 0.00 O ATOM 905 CB GLU A 85 -18.257 11.816 -15.765 1.00 0.00 C ATOM 906 CG GLU A 85 -19.119 11.268 -16.871 1.00 0.00 C ATOM 907 CD GLU A 85 -18.449 10.215 -17.696 1.00 0.00 C ATOM 908 OE1 GLU A 85 -18.400 9.047 -17.260 1.00 0.00 O ATOM 909 OE2 GLU A 85 -17.965 10.522 -18.801 1.00 0.00 O ATOM 0 H GLU A 85 -18.138 14.514 -14.028 1.00 0.00 H new ATOM 0 HA GLU A 85 -19.198 13.684 -15.683 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.344 12.235 -16.188 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.958 11.006 -15.100 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.028 10.852 -16.437 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.422 12.088 -17.522 1.00 0.00 H new ATOM 916 N ARG A 86 -21.313 13.184 -14.616 1.00 0.00 N ATOM 917 CA ARG A 86 -22.649 12.877 -14.193 1.00 0.00 C ATOM 918 C ARG A 86 -23.599 13.115 -15.337 1.00 0.00 C ATOM 919 O ARG A 86 -23.374 14.001 -16.161 1.00 0.00 O ATOM 920 CB ARG A 86 -23.041 13.714 -12.964 1.00 0.00 C ATOM 921 CG ARG A 86 -22.964 15.223 -13.164 1.00 0.00 C ATOM 922 CD ARG A 86 -23.346 15.951 -11.895 1.00 0.00 C ATOM 923 NE ARG A 86 -23.236 17.407 -12.021 1.00 0.00 N ATOM 924 CZ ARG A 86 -23.324 18.264 -10.988 1.00 0.00 C ATOM 925 NH1 ARG A 86 -23.561 17.812 -9.752 1.00 0.00 N ATOM 926 NH2 ARG A 86 -23.175 19.562 -11.194 1.00 0.00 N ATOM 0 H ARG A 86 -21.226 14.086 -15.084 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.701 11.828 -13.901 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -24.058 13.452 -12.674 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -22.392 13.439 -12.133 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -21.953 15.504 -13.460 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -23.629 15.522 -13.975 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.370 15.690 -11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -22.706 15.612 -11.080 1.00 0.00 H new ATOM 0 HE ARG A 86 -23.083 17.795 -12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -23.676 16.812 -9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.627 18.467 -8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.994 19.912 -12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.241 20.213 -10.412 1.00 0.00 H new ATOM 940 N ALA A 87 -24.640 12.333 -15.403 1.00 0.00 N ATOM 941 CA ALA A 87 -25.600 12.449 -16.476 1.00 0.00 C ATOM 942 C ALA A 87 -26.715 13.408 -16.105 1.00 0.00 C ATOM 943 O ALA A 87 -27.377 13.967 -16.995 1.00 0.00 O ATOM 944 CB ALA A 87 -26.161 11.084 -16.841 1.00 0.00 C ATOM 0 H ALA A 87 -24.850 11.602 -14.723 1.00 0.00 H new ATOM 0 HA ALA A 87 -25.087 12.853 -17.349 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -26.882 11.192 -17.651 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -25.349 10.431 -17.162 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -26.654 10.649 -15.972 1.00 0.00 H new ATOM 950 N ALA A 88 -26.915 13.592 -14.778 1.00 0.00 N ATOM 951 CA ALA A 88 -27.935 14.462 -14.215 1.00 0.00 C ATOM 952 C ALA A 88 -29.300 13.866 -14.436 1.00 0.00 C ATOM 953 O ALA A 88 -29.842 13.909 -15.549 1.00 0.00 O ATOM 954 CB ALA A 88 -27.842 15.902 -14.733 1.00 0.00 C ATOM 0 H ALA A 88 -26.352 13.123 -14.068 1.00 0.00 H new ATOM 0 HA ALA A 88 -27.757 14.530 -13.142 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -28.628 16.504 -14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -26.869 16.320 -14.474 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -27.962 15.907 -15.816 1.00 0.00 H new ATOM 960 N GLY A 89 -29.815 13.264 -13.374 1.00 0.00 N ATOM 961 CA GLY A 89 -31.114 12.595 -13.389 1.00 0.00 C ATOM 962 C GLY A 89 -32.192 13.408 -14.075 1.00 0.00 C ATOM 963 O GLY A 89 -32.605 14.465 -13.580 1.00 0.00 O ATOM 0 H GLY A 89 -29.343 13.224 -12.471 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -31.015 11.634 -13.894 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -31.421 12.387 -12.364 1.00 0.00 H new ATOM 967 N MET A 90 -32.630 12.913 -15.222 1.00 0.00 N ATOM 968 CA MET A 90 -33.627 13.582 -16.047 1.00 0.00 C ATOM 969 C MET A 90 -34.965 13.736 -15.337 1.00 0.00 C ATOM 970 O MET A 90 -35.242 13.062 -14.327 1.00 0.00 O ATOM 971 CB MET A 90 -33.785 12.880 -17.425 1.00 0.00 C ATOM 972 CG MET A 90 -34.159 11.383 -17.395 1.00 0.00 C ATOM 973 SD MET A 90 -35.797 11.031 -16.710 1.00 0.00 S ATOM 974 CE MET A 90 -35.845 9.248 -16.853 1.00 0.00 C ATOM 0 H MET A 90 -32.302 12.029 -15.611 1.00 0.00 H new ATOM 0 HA MET A 90 -33.258 14.591 -16.229 1.00 0.00 H new ATOM 0 HB2 MET A 90 -34.548 13.411 -17.993 1.00 0.00 H new ATOM 0 HB3 MET A 90 -32.848 12.987 -17.972 1.00 0.00 H new ATOM 0 HG2 MET A 90 -34.112 10.989 -18.410 1.00 0.00 H new ATOM 0 HG3 MET A 90 -33.412 10.847 -16.810 1.00 0.00 H new ATOM 0 HE1 MET A 90 -36.796 8.878 -16.470 1.00 0.00 H new ATOM 0 HE2 MET A 90 -35.740 8.964 -17.900 1.00 0.00 H new ATOM 0 HE3 MET A 90 -35.028 8.815 -16.276 1.00 0.00 H new ATOM 984 N GLY A 91 -35.781 14.604 -15.859 1.00 0.00 N ATOM 985 CA GLY A 91 -37.069 14.845 -15.281 1.00 0.00 C ATOM 986 C GLY A 91 -38.139 14.811 -16.320 1.00 0.00 C ATOM 987 O GLY A 91 -39.106 15.571 -16.260 1.00 0.00 O ATOM 0 H GLY A 91 -35.575 15.160 -16.689 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -37.275 14.094 -14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -37.072 15.815 -14.783 1.00 0.00 H new ATOM 991 N SER A 92 -37.972 13.952 -17.280 1.00 0.00 N ATOM 992 CA SER A 92 -38.919 13.820 -18.332 1.00 0.00 C ATOM 993 C SER A 92 -40.001 12.808 -17.958 1.00 0.00 C ATOM 994 O SER A 92 -39.724 11.782 -17.299 1.00 0.00 O ATOM 995 CB SER A 92 -38.202 13.445 -19.630 1.00 0.00 C ATOM 996 OG SER A 92 -37.364 12.316 -19.437 1.00 0.00 O ATOM 0 H SER A 92 -37.171 13.324 -17.351 1.00 0.00 H new ATOM 0 HA SER A 92 -39.419 14.775 -18.492 1.00 0.00 H new ATOM 0 HB2 SER A 92 -38.936 13.230 -20.407 1.00 0.00 H new ATOM 0 HB3 SER A 92 -37.607 14.289 -19.979 1.00 0.00 H new ATOM 0 HG SER A 92 -36.917 12.093 -20.280 1.00 0.00 H new ATOM 1002 N TYR A 93 -41.215 13.108 -18.334 1.00 0.00 N ATOM 1003 CA TYR A 93 -42.340 12.258 -18.065 1.00 0.00 C ATOM 1004 C TYR A 93 -43.400 12.606 -19.085 1.00 0.00 C ATOM 1005 O TYR A 93 -43.485 13.763 -19.486 1.00 0.00 O ATOM 1006 CB TYR A 93 -42.850 12.519 -16.636 1.00 0.00 C ATOM 1007 CG TYR A 93 -43.872 11.531 -16.125 1.00 0.00 C ATOM 1008 CD1 TYR A 93 -43.460 10.360 -15.506 1.00 0.00 C ATOM 1009 CD2 TYR A 93 -45.237 11.765 -16.244 1.00 0.00 C ATOM 1010 CE1 TYR A 93 -44.372 9.453 -15.022 1.00 0.00 C ATOM 1011 CE2 TYR A 93 -46.159 10.861 -15.755 1.00 0.00 C ATOM 1012 CZ TYR A 93 -45.717 9.705 -15.147 1.00 0.00 C ATOM 1013 OH TYR A 93 -46.628 8.803 -14.641 1.00 0.00 O ATOM 0 H TYR A 93 -41.452 13.960 -18.842 1.00 0.00 H new ATOM 0 HA TYR A 93 -42.075 11.203 -18.135 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -41.997 12.518 -15.958 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -43.285 13.518 -16.600 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -42.404 10.158 -15.403 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -45.582 12.668 -16.726 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -44.033 8.545 -14.545 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -47.217 11.058 -15.848 1.00 0.00 H new ATOM 0 HH TYR A 93 -47.537 9.127 -14.809 1.00 0.00 H new ATOM 1023 N VAL A 94 -44.162 11.605 -19.513 1.00 0.00 N ATOM 1024 CA VAL A 94 -45.238 11.727 -20.525 1.00 0.00 C ATOM 1025 C VAL A 94 -44.811 12.505 -21.802 1.00 0.00 C ATOM 1026 O VAL A 94 -44.290 11.861 -22.728 1.00 0.00 O ATOM 1027 CB VAL A 94 -46.642 12.193 -19.945 1.00 0.00 C ATOM 1028 CG1 VAL A 94 -46.628 13.594 -19.338 1.00 0.00 C ATOM 1029 CG2 VAL A 94 -47.740 12.063 -20.995 1.00 0.00 C ATOM 0 H VAL A 94 -44.055 10.653 -19.163 1.00 0.00 H new ATOM 0 HA VAL A 94 -45.407 10.701 -20.852 1.00 0.00 H new ATOM 0 HB VAL A 94 -46.859 11.515 -19.120 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -47.622 13.839 -18.964 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -45.913 13.627 -18.516 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -46.338 14.318 -20.100 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -48.690 12.389 -20.571 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -47.495 12.685 -21.856 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -47.821 11.023 -21.310 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 3.037 2.071 3.337 1.00 0.00 ZN