USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.815 K(o=-0.82,f=-0.11) USER MOD Single : A 8 LYS NZ :NH3+ 156:sc= 0.0545 (180deg=0.0188) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 179:sc= -1.9 (180deg=-1.91) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.015 USER MOD Single : A 18 ASN : amide:sc= -2.02 K(o=-2,f=-3.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.173 X(o=-0.17,f=-0.1) USER MOD Single : A 25 SER OG : rot 137:sc= -1.04 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -50:sc= 0.735 USER MOD Single : A 30 SER OG : rot 180:sc= -0.663 USER MOD Single : A 35 ASN : amide:sc= -0.038 K(o=-0.038,f=-0.56) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 0:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0798 X(o=-0.08,f=0) USER MOD Single : A 51 SER OG : rot -159:sc= -0.484 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.00833 K(o=-0.0083,f=0.5) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 144:sc= 0 (180deg=-0.0636) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.89) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 0.0255 (180deg=-0.287) USER MOD Single : A 69 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 80 ASN : amide:sc= -1.01 K(o=-1,f=-2.8!) USER MOD Single : A 82 SER OG : rot 55:sc= 0.00529 USER MOD Single : A 88 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.36) USER MOD Single : A 91 HIS : no HD1:sc= -0.748 K(o=-0.75,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.402 17.933 -5.805 1.00 0.00 N ATOM 2 CA ALA A 1 -14.351 16.799 -5.988 1.00 0.00 C ATOM 3 C ALA A 1 -13.655 15.487 -5.620 1.00 0.00 C ATOM 4 O ALA A 1 -14.126 14.740 -4.784 1.00 0.00 O ATOM 5 CB ALA A 1 -14.807 16.744 -7.448 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.875 18.825 -6.055 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.094 17.971 -4.812 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.574 17.796 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.218 16.943 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.501 15.914 -7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.304 17.678 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.941 16.600 -8.094 1.00 0.00 H new ATOM 13 N ARG A 2 -12.536 15.203 -6.240 1.00 0.00 N ATOM 14 CA ARG A 2 -11.804 13.940 -5.926 1.00 0.00 C ATOM 15 C ARG A 2 -10.939 14.150 -4.675 1.00 0.00 C ATOM 16 O ARG A 2 -10.775 15.269 -4.227 1.00 0.00 O ATOM 17 CB ARG A 2 -10.913 13.553 -7.109 1.00 0.00 C ATOM 18 CG ARG A 2 -11.778 12.947 -8.220 1.00 0.00 C ATOM 19 CD ARG A 2 -12.026 11.460 -7.938 1.00 0.00 C ATOM 20 NE ARG A 2 -13.485 11.175 -8.045 1.00 0.00 N ATOM 21 CZ ARG A 2 -13.897 9.969 -8.328 1.00 0.00 C ATOM 22 NH1 ARG A 2 -13.698 8.996 -7.481 1.00 0.00 N ATOM 23 NH2 ARG A 2 -14.508 9.737 -9.457 1.00 0.00 N ATOM 0 H ARG A 2 -12.099 15.792 -6.949 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.522 13.141 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.384 14.430 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.157 12.836 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.728 13.477 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.283 13.065 -9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.471 10.846 -8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.665 11.202 -6.942 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.162 11.923 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.221 9.178 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.020 8.054 -7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.664 10.498 -10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.830 8.795 -9.678 1.00 0.00 H new ATOM 37 N PRO A 3 -10.414 13.063 -4.147 1.00 0.00 N ATOM 38 CA PRO A 3 -9.573 13.205 -2.934 1.00 0.00 C ATOM 39 C PRO A 3 -8.092 13.329 -3.314 1.00 0.00 C ATOM 40 O PRO A 3 -7.670 12.899 -4.373 1.00 0.00 O ATOM 41 CB PRO A 3 -9.820 11.923 -2.138 1.00 0.00 C ATOM 42 CG PRO A 3 -10.311 10.875 -3.150 1.00 0.00 C ATOM 43 CD PRO A 3 -10.831 11.651 -4.370 1.00 0.00 C ATOM 0 HA PRO A 3 -9.821 14.099 -2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.907 11.589 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.562 12.087 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.502 10.203 -3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.100 10.259 -2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.409 11.258 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.915 11.570 -4.455 1.00 0.00 H new ATOM 51 N ALA A 4 -7.307 13.921 -2.451 1.00 0.00 N ATOM 52 CA ALA A 4 -5.851 14.094 -2.737 1.00 0.00 C ATOM 53 C ALA A 4 -5.149 12.732 -2.808 1.00 0.00 C ATOM 54 O ALA A 4 -4.063 12.624 -3.343 1.00 0.00 O ATOM 55 CB ALA A 4 -5.218 14.930 -1.623 1.00 0.00 C ATOM 0 H ALA A 4 -7.615 14.295 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.737 14.597 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.155 15.060 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.702 15.906 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.346 14.420 -0.668 1.00 0.00 H new ATOM 61 N PHE A 5 -5.748 11.695 -2.271 1.00 0.00 N ATOM 62 CA PHE A 5 -5.099 10.350 -2.310 1.00 0.00 C ATOM 63 C PHE A 5 -5.285 9.729 -3.696 1.00 0.00 C ATOM 64 O PHE A 5 -4.335 9.296 -4.323 1.00 0.00 O ATOM 65 CB PHE A 5 -5.737 9.441 -1.261 1.00 0.00 C ATOM 66 CG PHE A 5 -4.923 8.176 -1.140 1.00 0.00 C ATOM 67 CD1 PHE A 5 -3.630 8.224 -0.605 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.458 6.956 -1.569 1.00 0.00 C ATOM 69 CE1 PHE A 5 -2.873 7.051 -0.499 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.702 5.783 -1.463 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.409 5.831 -0.929 1.00 0.00 C ATOM 0 H PHE A 5 -6.657 11.724 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.035 10.460 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.783 9.952 -0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.762 9.202 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.217 9.165 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.455 6.920 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.876 7.087 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.116 4.842 -1.793 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.824 4.926 -0.849 1.00 0.00 H new ATOM 81 N VAL A 6 -6.500 9.681 -4.177 1.00 0.00 N ATOM 82 CA VAL A 6 -6.749 9.090 -5.523 1.00 0.00 C ATOM 83 C VAL A 6 -6.052 9.946 -6.592 1.00 0.00 C ATOM 84 O VAL A 6 -5.751 9.473 -7.671 1.00 0.00 O ATOM 85 CB VAL A 6 -8.261 9.036 -5.784 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.532 8.412 -7.159 1.00 0.00 C ATOM 87 CG2 VAL A 6 -8.929 8.186 -4.700 1.00 0.00 C ATOM 0 H VAL A 6 -7.330 10.026 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.347 8.078 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.667 10.047 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.607 8.377 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.055 9.014 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.127 7.401 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.003 8.144 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.518 7.177 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.742 8.631 -3.722 1.00 0.00 H new ATOM 97 N ASN A 7 -5.792 11.200 -6.300 1.00 0.00 N ATOM 98 CA ASN A 7 -5.115 12.081 -7.298 1.00 0.00 C ATOM 99 C ASN A 7 -3.609 11.805 -7.306 1.00 0.00 C ATOM 100 O ASN A 7 -2.997 11.740 -8.355 1.00 0.00 O ATOM 101 CB ASN A 7 -5.362 13.546 -6.932 1.00 0.00 C ATOM 102 CG ASN A 7 -6.759 13.961 -7.397 1.00 0.00 C ATOM 103 OD1 ASN A 7 -7.673 14.056 -6.603 1.00 0.00 O ATOM 104 ND2 ASN A 7 -6.964 14.216 -8.661 1.00 0.00 N ATOM 0 H ASN A 7 -6.021 11.648 -5.413 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.520 11.875 -8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.270 13.683 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.609 14.180 -7.399 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.891 14.495 -8.981 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.197 14.136 -9.328 1.00 0.00 H new ATOM 111 N LYS A 8 -3.005 11.651 -6.151 1.00 0.00 N ATOM 112 CA LYS A 8 -1.533 11.387 -6.111 1.00 0.00 C ATOM 113 C LYS A 8 -1.240 9.965 -6.618 1.00 0.00 C ATOM 114 O LYS A 8 -0.134 9.666 -7.028 1.00 0.00 O ATOM 115 CB LYS A 8 -0.995 11.575 -4.678 1.00 0.00 C ATOM 116 CG LYS A 8 -1.504 10.462 -3.746 1.00 0.00 C ATOM 117 CD LYS A 8 -0.932 10.650 -2.333 1.00 0.00 C ATOM 118 CE LYS A 8 0.576 10.366 -2.326 1.00 0.00 C ATOM 119 NZ LYS A 8 0.810 8.895 -2.267 1.00 0.00 N ATOM 0 H LYS A 8 -3.464 11.696 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.027 12.100 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.095 11.572 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.306 12.546 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.593 10.478 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.212 9.488 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.119 11.668 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.438 9.981 -1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.038 10.782 -3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.044 10.853 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.748 8.677 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.766 8.576 -1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.080 8.405 -2.822 1.00 0.00 H new ATOM 133 N LEU A 9 -2.220 9.091 -6.595 1.00 0.00 N ATOM 134 CA LEU A 9 -1.994 7.697 -7.078 1.00 0.00 C ATOM 135 C LEU A 9 -1.776 7.711 -8.595 1.00 0.00 C ATOM 136 O LEU A 9 -1.102 6.858 -9.140 1.00 0.00 O ATOM 137 CB LEU A 9 -3.215 6.834 -6.751 1.00 0.00 C ATOM 138 CG LEU A 9 -2.851 5.359 -6.923 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.018 4.901 -5.727 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.130 4.521 -7.006 1.00 0.00 C ATOM 0 H LEU A 9 -3.164 9.286 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.114 7.284 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.545 7.022 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.045 7.095 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.275 5.231 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.757 3.850 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.107 5.497 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.595 5.030 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.869 3.470 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.708 4.647 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.725 4.849 -7.858 1.00 0.00 H new ATOM 152 N TRP A 10 -2.343 8.669 -9.279 1.00 0.00 N ATOM 153 CA TRP A 10 -2.174 8.739 -10.762 1.00 0.00 C ATOM 154 C TRP A 10 -0.808 9.349 -11.113 1.00 0.00 C ATOM 155 O TRP A 10 -0.394 9.320 -12.257 1.00 0.00 O ATOM 156 CB TRP A 10 -3.285 9.602 -11.370 1.00 0.00 C ATOM 157 CG TRP A 10 -4.625 9.187 -10.840 1.00 0.00 C ATOM 158 CD1 TRP A 10 -5.623 10.045 -10.536 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.136 7.847 -10.548 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.710 9.328 -10.079 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.462 7.972 -10.067 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.591 6.549 -10.648 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.217 6.858 -9.703 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.352 5.428 -10.280 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.662 5.582 -9.807 1.00 0.00 C ATOM 0 H TRP A 10 -2.918 9.408 -8.875 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.230 7.729 -11.168 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.105 10.652 -11.138 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.272 9.509 -12.456 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.578 11.120 -10.635 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.591 9.750 -9.785 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.582 6.417 -11.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.227 6.982 -9.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.925 4.440 -10.362 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.241 4.715 -9.524 1.00 0.00 H new ATOM 176 N SER A 11 -0.105 9.903 -10.151 1.00 0.00 N ATOM 177 CA SER A 11 1.224 10.514 -10.449 1.00 0.00 C ATOM 178 C SER A 11 2.349 9.553 -10.050 1.00 0.00 C ATOM 179 O SER A 11 3.407 9.545 -10.651 1.00 0.00 O ATOM 180 CB SER A 11 1.370 11.818 -9.665 1.00 0.00 C ATOM 181 OG SER A 11 0.664 12.852 -10.339 1.00 0.00 O ATOM 0 H SER A 11 -0.397 9.956 -9.175 1.00 0.00 H new ATOM 0 HA SER A 11 1.291 10.715 -11.518 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.980 11.694 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.423 12.083 -9.570 1.00 0.00 H new ATOM 0 HG SER A 11 0.754 13.690 -9.838 1.00 0.00 H new ATOM 187 N MET A 12 2.135 8.751 -9.036 1.00 0.00 N ATOM 188 CA MET A 12 3.199 7.798 -8.595 1.00 0.00 C ATOM 189 C MET A 12 3.120 6.503 -9.410 1.00 0.00 C ATOM 190 O MET A 12 4.119 5.847 -9.638 1.00 0.00 O ATOM 191 CB MET A 12 3.022 7.481 -7.103 1.00 0.00 C ATOM 192 CG MET A 12 1.600 6.959 -6.830 1.00 0.00 C ATOM 193 SD MET A 12 1.666 5.252 -6.221 1.00 0.00 S ATOM 194 CE MET A 12 1.981 5.649 -4.486 1.00 0.00 C ATOM 0 H MET A 12 1.271 8.715 -8.496 1.00 0.00 H new ATOM 0 HA MET A 12 4.174 8.258 -8.756 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.755 6.736 -6.794 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.208 8.377 -6.510 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.106 7.596 -6.096 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.006 7.004 -7.743 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.042 4.727 -3.907 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.922 6.193 -4.402 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.169 6.266 -4.101 1.00 0.00 H new ATOM 204 N VAL A 13 1.943 6.123 -9.843 1.00 0.00 N ATOM 205 CA VAL A 13 1.805 4.863 -10.637 1.00 0.00 C ATOM 206 C VAL A 13 1.916 5.159 -12.142 1.00 0.00 C ATOM 207 O VAL A 13 1.827 4.259 -12.957 1.00 0.00 O ATOM 208 CB VAL A 13 0.450 4.195 -10.355 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.534 2.722 -10.745 1.00 0.00 C ATOM 210 CG2 VAL A 13 0.089 4.282 -8.864 1.00 0.00 C ATOM 0 H VAL A 13 1.073 6.630 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 13 2.609 4.190 -10.341 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.315 4.712 -10.934 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.423 2.238 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.771 2.639 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.314 2.235 -10.160 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.874 3.801 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.855 3.778 -8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.030 5.328 -8.564 1.00 0.00 H new ATOM 220 N ASN A 14 2.103 6.403 -12.527 1.00 0.00 N ATOM 221 CA ASN A 14 2.208 6.738 -13.982 1.00 0.00 C ATOM 222 C ASN A 14 3.365 5.967 -14.633 1.00 0.00 C ATOM 223 O ASN A 14 3.417 5.830 -15.839 1.00 0.00 O ATOM 224 CB ASN A 14 2.445 8.241 -14.145 1.00 0.00 C ATOM 225 CG ASN A 14 1.894 8.698 -15.497 1.00 0.00 C ATOM 226 OD1 ASN A 14 2.635 8.851 -16.447 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.615 8.924 -15.624 1.00 0.00 N ATOM 0 H ASN A 14 2.187 7.199 -11.894 1.00 0.00 H new ATOM 0 HA ASN A 14 1.277 6.454 -14.472 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.957 8.787 -13.338 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.511 8.462 -14.081 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.238 9.229 -16.521 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.007 8.795 -14.826 1.00 0.00 H new ATOM 234 N ASP A 15 4.293 5.466 -13.847 1.00 0.00 N ATOM 235 CA ASP A 15 5.457 4.699 -14.409 1.00 0.00 C ATOM 236 C ASP A 15 6.459 5.642 -15.092 1.00 0.00 C ATOM 237 O ASP A 15 7.439 5.191 -15.657 1.00 0.00 O ATOM 238 CB ASP A 15 4.978 3.646 -15.419 1.00 0.00 C ATOM 239 CG ASP A 15 6.068 2.587 -15.605 1.00 0.00 C ATOM 240 OD1 ASP A 15 6.326 1.860 -14.659 1.00 0.00 O ATOM 241 OD2 ASP A 15 6.626 2.523 -16.687 1.00 0.00 O ATOM 0 H ASP A 15 4.294 5.556 -12.831 1.00 0.00 H new ATOM 0 HA ASP A 15 5.953 4.198 -13.577 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.058 3.179 -15.066 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.749 4.120 -16.374 1.00 0.00 H new ATOM 246 N LYS A 16 6.246 6.938 -15.037 1.00 0.00 N ATOM 247 CA LYS A 16 7.214 7.881 -15.673 1.00 0.00 C ATOM 248 C LYS A 16 8.289 8.229 -14.646 1.00 0.00 C ATOM 249 O LYS A 16 9.431 7.831 -14.773 1.00 0.00 O ATOM 250 CB LYS A 16 6.483 9.152 -16.117 1.00 0.00 C ATOM 251 CG LYS A 16 7.463 10.088 -16.828 1.00 0.00 C ATOM 252 CD LYS A 16 6.680 11.124 -17.636 1.00 0.00 C ATOM 253 CE LYS A 16 7.643 11.937 -18.503 1.00 0.00 C ATOM 254 NZ LYS A 16 7.892 11.213 -19.780 1.00 0.00 N ATOM 0 H LYS A 16 5.447 7.378 -14.581 1.00 0.00 H new ATOM 0 HA LYS A 16 7.670 7.419 -16.549 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.660 8.896 -16.785 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.048 9.654 -15.253 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.101 10.586 -16.099 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.117 9.516 -17.486 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.941 10.627 -18.264 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.133 11.786 -16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.223 12.922 -18.707 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.582 12.095 -17.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.547 11.765 -20.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.310 10.283 -19.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.993 11.085 -20.287 1.00 0.00 H new ATOM 268 N SER A 17 7.922 8.947 -13.616 1.00 0.00 N ATOM 269 CA SER A 17 8.910 9.303 -12.559 1.00 0.00 C ATOM 270 C SER A 17 9.171 8.069 -11.682 1.00 0.00 C ATOM 271 O SER A 17 10.194 7.967 -11.033 1.00 0.00 O ATOM 272 CB SER A 17 8.350 10.434 -11.695 1.00 0.00 C ATOM 273 OG SER A 17 7.495 11.250 -12.485 1.00 0.00 O ATOM 0 H SER A 17 6.978 9.302 -13.463 1.00 0.00 H new ATOM 0 HA SER A 17 9.841 9.631 -13.021 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.799 10.022 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.164 11.031 -11.285 1.00 0.00 H new ATOM 0 HG SER A 17 7.133 11.975 -11.933 1.00 0.00 H new ATOM 279 N ASN A 18 8.250 7.132 -11.661 1.00 0.00 N ATOM 280 CA ASN A 18 8.432 5.903 -10.829 1.00 0.00 C ATOM 281 C ASN A 18 8.431 4.682 -11.760 1.00 0.00 C ATOM 282 O ASN A 18 7.793 3.682 -11.491 1.00 0.00 O ATOM 283 CB ASN A 18 7.280 5.763 -9.807 1.00 0.00 C ATOM 284 CG ASN A 18 6.782 7.141 -9.333 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.369 7.961 -10.129 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.789 7.423 -8.059 1.00 0.00 N ATOM 0 H ASN A 18 7.377 7.169 -12.188 1.00 0.00 H new ATOM 0 HA ASN A 18 9.374 5.972 -10.284 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.455 5.212 -10.259 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.620 5.182 -8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.449 8.328 -7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.135 6.738 -7.387 1.00 0.00 H new ATOM 293 N GLU A 19 9.126 4.768 -12.864 1.00 0.00 N ATOM 294 CA GLU A 19 9.155 3.634 -13.836 1.00 0.00 C ATOM 295 C GLU A 19 9.720 2.364 -13.185 1.00 0.00 C ATOM 296 O GLU A 19 9.160 1.293 -13.326 1.00 0.00 O ATOM 297 CB GLU A 19 10.026 4.022 -15.033 1.00 0.00 C ATOM 298 CG GLU A 19 9.952 2.927 -16.100 1.00 0.00 C ATOM 299 CD GLU A 19 10.444 3.483 -17.437 1.00 0.00 C ATOM 300 OE1 GLU A 19 11.648 3.580 -17.608 1.00 0.00 O ATOM 301 OE2 GLU A 19 9.609 3.802 -18.267 1.00 0.00 O ATOM 0 H GLU A 19 9.679 5.581 -13.136 1.00 0.00 H new ATOM 0 HA GLU A 19 8.135 3.428 -14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.688 4.972 -15.448 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.059 4.163 -14.713 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.561 2.073 -15.803 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.927 2.569 -16.198 1.00 0.00 H new ATOM 308 N LYS A 20 10.829 2.467 -12.496 1.00 0.00 N ATOM 309 CA LYS A 20 11.435 1.253 -11.862 1.00 0.00 C ATOM 310 C LYS A 20 10.977 1.125 -10.405 1.00 0.00 C ATOM 311 O LYS A 20 11.665 0.547 -9.584 1.00 0.00 O ATOM 312 CB LYS A 20 12.966 1.364 -11.913 1.00 0.00 C ATOM 313 CG LYS A 20 13.572 0.008 -12.288 1.00 0.00 C ATOM 314 CD LYS A 20 13.458 -0.200 -13.799 1.00 0.00 C ATOM 315 CE LYS A 20 14.670 0.425 -14.498 1.00 0.00 C ATOM 316 NZ LYS A 20 14.563 0.233 -15.978 1.00 0.00 N ATOM 0 H LYS A 20 11.341 3.336 -12.345 1.00 0.00 H new ATOM 0 HA LYS A 20 11.110 0.368 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.261 2.119 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.349 1.689 -10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.617 -0.032 -11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.054 -0.793 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.404 -1.265 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.538 0.253 -14.170 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.727 1.488 -14.264 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.588 -0.032 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.389 0.660 -16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.530 -0.784 -16.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.695 0.689 -16.325 1.00 0.00 H new ATOM 330 N PHE A 21 9.825 1.656 -10.077 1.00 0.00 N ATOM 331 CA PHE A 21 9.331 1.562 -8.669 1.00 0.00 C ATOM 332 C PHE A 21 7.848 1.144 -8.625 1.00 0.00 C ATOM 333 O PHE A 21 7.281 1.011 -7.558 1.00 0.00 O ATOM 334 CB PHE A 21 9.496 2.922 -7.992 1.00 0.00 C ATOM 335 CG PHE A 21 10.949 3.325 -8.039 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.846 2.807 -7.099 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.400 4.213 -9.022 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.195 3.178 -7.141 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.750 4.585 -9.065 1.00 0.00 C ATOM 340 CZ PHE A 21 13.647 4.067 -8.123 1.00 0.00 C ATOM 0 H PHE A 21 9.207 2.149 -10.722 1.00 0.00 H new ATOM 0 HA PHE A 21 9.914 0.804 -8.146 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.882 3.669 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.153 2.871 -6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.498 2.121 -6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.707 4.612 -9.748 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.888 2.778 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.098 5.270 -9.824 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.688 4.353 -8.154 1.00 0.00 H new ATOM 350 N ILE A 22 7.218 0.931 -9.759 1.00 0.00 N ATOM 351 CA ILE A 22 5.778 0.520 -9.761 1.00 0.00 C ATOM 352 C ILE A 22 5.325 0.298 -11.211 1.00 0.00 C ATOM 353 O ILE A 22 5.833 0.918 -12.127 1.00 0.00 O ATOM 354 CB ILE A 22 4.926 1.620 -9.100 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.446 1.217 -9.112 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.094 2.940 -9.853 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.672 2.095 -8.130 1.00 0.00 C ATOM 0 H ILE A 22 7.641 1.025 -10.683 1.00 0.00 H new ATOM 0 HA ILE A 22 5.654 -0.405 -9.198 1.00 0.00 H new ATOM 0 HB ILE A 22 5.260 1.746 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.036 1.327 -10.116 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.342 0.167 -8.838 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.487 3.710 -9.377 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.142 3.240 -9.833 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.773 2.813 -10.887 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.620 1.809 -8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.077 1.963 -7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.766 3.140 -8.424 1.00 0.00 H new ATOM 369 N HIS A 23 4.379 -0.582 -11.422 1.00 0.00 N ATOM 370 CA HIS A 23 3.895 -0.849 -12.808 1.00 0.00 C ATOM 371 C HIS A 23 2.423 -1.266 -12.775 1.00 0.00 C ATOM 372 O HIS A 23 1.919 -1.728 -11.767 1.00 0.00 O ATOM 373 CB HIS A 23 4.721 -1.978 -13.427 1.00 0.00 C ATOM 374 CG HIS A 23 4.666 -1.875 -14.927 1.00 0.00 C ATOM 375 ND1 HIS A 23 3.938 -2.764 -15.703 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.245 -0.996 -15.809 1.00 0.00 C ATOM 377 CE1 HIS A 23 4.095 -2.404 -16.990 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.882 -1.331 -17.111 1.00 0.00 N ATOM 0 H HIS A 23 3.921 -1.127 -10.692 1.00 0.00 H new ATOM 0 HA HIS A 23 4.001 0.058 -13.403 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.754 -1.917 -13.085 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.335 -2.945 -13.104 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.384 -3.549 -15.360 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.885 -0.170 -15.535 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.640 -2.919 -17.823 1.00 0.00 H new ATOM 386 N TRP A 24 1.736 -1.113 -13.879 1.00 0.00 N ATOM 387 CA TRP A 24 0.297 -1.505 -13.940 1.00 0.00 C ATOM 388 C TRP A 24 0.192 -2.994 -14.273 1.00 0.00 C ATOM 389 O TRP A 24 1.129 -3.594 -14.768 1.00 0.00 O ATOM 390 CB TRP A 24 -0.410 -0.698 -15.031 1.00 0.00 C ATOM 391 CG TRP A 24 -0.761 0.662 -14.515 1.00 0.00 C ATOM 392 CD1 TRP A 24 0.069 1.475 -13.823 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.021 1.380 -14.647 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.605 2.647 -13.520 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.897 2.635 -14.008 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.250 1.065 -15.255 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.952 3.547 -13.972 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.315 1.980 -15.222 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.167 3.218 -14.581 1.00 0.00 C ATOM 0 H TRP A 24 2.114 -0.731 -14.746 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.172 -1.306 -12.976 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.235 -0.609 -15.905 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.312 -1.218 -15.353 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.089 1.248 -13.551 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.197 3.424 -13.000 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.375 0.113 -15.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.831 4.500 -13.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.254 1.728 -15.693 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.990 3.917 -14.558 1.00 0.00 H new ATOM 410 N SER A 25 -0.941 -3.591 -14.013 1.00 0.00 N ATOM 411 CA SER A 25 -1.118 -5.041 -14.319 1.00 0.00 C ATOM 412 C SER A 25 -1.566 -5.227 -15.775 1.00 0.00 C ATOM 413 O SER A 25 -1.507 -6.317 -16.310 1.00 0.00 O ATOM 414 CB SER A 25 -2.172 -5.631 -13.384 1.00 0.00 C ATOM 415 OG SER A 25 -3.460 -5.187 -13.792 1.00 0.00 O ATOM 0 H SER A 25 -1.755 -3.135 -13.600 1.00 0.00 H new ATOM 0 HA SER A 25 -0.166 -5.553 -14.174 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.126 -6.720 -13.405 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.977 -5.324 -12.357 1.00 0.00 H new ATOM 0 HG SER A 25 -4.090 -5.937 -13.759 1.00 0.00 H new ATOM 421 N THR A 26 -2.016 -4.174 -16.425 1.00 0.00 N ATOM 422 CA THR A 26 -2.470 -4.289 -17.847 1.00 0.00 C ATOM 423 C THR A 26 -3.706 -5.188 -17.922 1.00 0.00 C ATOM 424 O THR A 26 -3.825 -6.157 -17.198 1.00 0.00 O ATOM 425 CB THR A 26 -1.347 -4.884 -18.704 1.00 0.00 C ATOM 426 OG1 THR A 26 -0.121 -4.241 -18.384 1.00 0.00 O ATOM 427 CG2 THR A 26 -1.664 -4.670 -20.184 1.00 0.00 C ATOM 0 H THR A 26 -2.087 -3.238 -16.027 1.00 0.00 H new ATOM 0 HA THR A 26 -2.722 -3.298 -18.224 1.00 0.00 H new ATOM 0 HB THR A 26 -1.263 -5.952 -18.504 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.599 -4.621 -18.929 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.865 -5.093 -20.792 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.606 -5.161 -20.429 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.748 -3.602 -20.387 1.00 0.00 H new ATOM 435 N SER A 27 -4.631 -4.866 -18.796 1.00 0.00 N ATOM 436 CA SER A 27 -5.873 -5.691 -18.928 1.00 0.00 C ATOM 437 C SER A 27 -6.608 -5.731 -17.584 1.00 0.00 C ATOM 438 O SER A 27 -7.281 -6.691 -17.261 1.00 0.00 O ATOM 439 CB SER A 27 -5.501 -7.114 -19.349 1.00 0.00 C ATOM 440 OG SER A 27 -6.688 -7.853 -19.608 1.00 0.00 O ATOM 0 H SER A 27 -4.578 -4.065 -19.425 1.00 0.00 H new ATOM 0 HA SER A 27 -6.522 -5.248 -19.683 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.873 -7.090 -20.239 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.922 -7.598 -18.563 1.00 0.00 H new ATOM 0 HG SER A 27 -7.307 -7.752 -18.855 1.00 0.00 H new ATOM 446 N GLY A 28 -6.478 -4.690 -16.802 1.00 0.00 N ATOM 447 CA GLY A 28 -7.155 -4.647 -15.474 1.00 0.00 C ATOM 448 C GLY A 28 -6.597 -3.474 -14.668 1.00 0.00 C ATOM 449 O GLY A 28 -5.481 -3.039 -14.888 1.00 0.00 O ATOM 0 H GLY A 28 -5.927 -3.862 -17.030 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.232 -4.536 -15.604 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.993 -5.582 -14.939 1.00 0.00 H new ATOM 453 N GLU A 29 -7.361 -2.954 -13.742 1.00 0.00 N ATOM 454 CA GLU A 29 -6.873 -1.804 -12.926 1.00 0.00 C ATOM 455 C GLU A 29 -6.186 -2.328 -11.660 1.00 0.00 C ATOM 456 O GLU A 29 -6.685 -2.173 -10.559 1.00 0.00 O ATOM 457 CB GLU A 29 -8.053 -0.908 -12.543 1.00 0.00 C ATOM 458 CG GLU A 29 -7.542 0.496 -12.213 1.00 0.00 C ATOM 459 CD GLU A 29 -8.556 1.536 -12.692 1.00 0.00 C ATOM 460 OE1 GLU A 29 -8.699 1.684 -13.894 1.00 0.00 O ATOM 461 OE2 GLU A 29 -9.174 2.166 -11.849 1.00 0.00 O ATOM 0 H GLU A 29 -8.302 -3.277 -13.516 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.158 -1.224 -13.509 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.770 -0.862 -13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.578 -1.327 -11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.385 0.594 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.578 0.665 -12.693 1.00 0.00 H new ATOM 468 N SER A 30 -5.043 -2.948 -11.811 1.00 0.00 N ATOM 469 CA SER A 30 -4.314 -3.485 -10.625 1.00 0.00 C ATOM 470 C SER A 30 -2.887 -2.930 -10.604 1.00 0.00 C ATOM 471 O SER A 30 -2.388 -2.432 -11.595 1.00 0.00 O ATOM 472 CB SER A 30 -4.273 -5.011 -10.699 1.00 0.00 C ATOM 473 OG SER A 30 -5.391 -5.545 -10.002 1.00 0.00 O ATOM 0 H SER A 30 -4.583 -3.105 -12.708 1.00 0.00 H new ATOM 0 HA SER A 30 -4.830 -3.182 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.289 -5.337 -11.739 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.346 -5.383 -10.262 1.00 0.00 H new ATOM 0 HG SER A 30 -5.369 -6.524 -10.049 1.00 0.00 H new ATOM 479 N ILE A 31 -2.232 -3.011 -9.473 1.00 0.00 N ATOM 480 CA ILE A 31 -0.837 -2.490 -9.362 1.00 0.00 C ATOM 481 C ILE A 31 0.068 -3.600 -8.826 1.00 0.00 C ATOM 482 O ILE A 31 -0.379 -4.480 -8.115 1.00 0.00 O ATOM 483 CB ILE A 31 -0.823 -1.304 -8.393 1.00 0.00 C ATOM 484 CG1 ILE A 31 -1.841 -0.260 -8.855 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.571 -0.674 -8.360 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.020 0.797 -7.764 1.00 0.00 C ATOM 0 H ILE A 31 -2.607 -3.419 -8.617 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.479 -2.167 -10.339 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.082 -1.654 -7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.503 0.209 -9.779 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.796 -0.739 -9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.573 0.169 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.298 -1.416 -8.030 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.836 -0.325 -9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.745 1.541 -8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.378 0.321 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.064 1.284 -7.569 1.00 0.00 H new ATOM 498 N VAL A 32 1.334 -3.569 -9.161 1.00 0.00 N ATOM 499 CA VAL A 32 2.265 -4.626 -8.668 1.00 0.00 C ATOM 500 C VAL A 32 3.504 -3.971 -8.054 1.00 0.00 C ATOM 501 O VAL A 32 4.164 -3.163 -8.679 1.00 0.00 O ATOM 502 CB VAL A 32 2.680 -5.529 -9.833 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.481 -6.716 -9.297 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.428 -6.043 -10.547 1.00 0.00 C ATOM 0 H VAL A 32 1.761 -2.857 -9.754 1.00 0.00 H new ATOM 0 HA VAL A 32 1.763 -5.227 -7.910 1.00 0.00 H new ATOM 0 HB VAL A 32 3.294 -4.962 -10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.777 -7.359 -10.126 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.371 -6.352 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.867 -7.284 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.721 -6.686 -11.377 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.817 -6.611 -9.846 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.854 -5.198 -10.928 1.00 0.00 H new ATOM 514 N VAL A 33 3.820 -4.316 -6.831 1.00 0.00 N ATOM 515 CA VAL A 33 5.014 -3.723 -6.160 1.00 0.00 C ATOM 516 C VAL A 33 6.110 -4.791 -6.037 1.00 0.00 C ATOM 517 O VAL A 33 6.182 -5.480 -5.037 1.00 0.00 O ATOM 518 CB VAL A 33 4.621 -3.223 -4.760 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.846 -2.635 -4.044 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.550 -2.140 -4.893 1.00 0.00 C ATOM 0 H VAL A 33 3.298 -4.987 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 33 5.387 -2.886 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 33 4.235 -4.061 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.555 -2.284 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.613 -3.403 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.240 -1.800 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.269 -1.783 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.943 -1.310 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.674 -2.554 -5.392 1.00 0.00 H new ATOM 530 N PRO A 34 6.937 -4.885 -7.055 1.00 0.00 N ATOM 531 CA PRO A 34 8.025 -5.889 -6.984 1.00 0.00 C ATOM 532 C PRO A 34 9.041 -5.479 -5.912 1.00 0.00 C ATOM 533 O PRO A 34 9.715 -6.311 -5.335 1.00 0.00 O ATOM 534 CB PRO A 34 8.662 -5.873 -8.373 1.00 0.00 C ATOM 535 CG PRO A 34 8.319 -4.504 -8.988 1.00 0.00 C ATOM 536 CD PRO A 34 7.094 -3.979 -8.224 1.00 0.00 C ATOM 0 HA PRO A 34 7.666 -6.883 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.741 -6.011 -8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.274 -6.684 -8.989 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.159 -3.815 -8.895 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.101 -4.600 -10.052 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.243 -2.948 -7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.204 -3.992 -8.853 1.00 0.00 H new ATOM 544 N ASN A 35 9.147 -4.201 -5.640 1.00 0.00 N ATOM 545 CA ASN A 35 10.109 -3.724 -4.606 1.00 0.00 C ATOM 546 C ASN A 35 9.392 -2.772 -3.644 1.00 0.00 C ATOM 547 O ASN A 35 9.328 -1.579 -3.877 1.00 0.00 O ATOM 548 CB ASN A 35 11.262 -2.981 -5.290 1.00 0.00 C ATOM 549 CG ASN A 35 12.446 -3.931 -5.481 1.00 0.00 C ATOM 550 OD1 ASN A 35 13.478 -3.766 -4.862 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.342 -4.926 -6.320 1.00 0.00 N ATOM 0 H ASN A 35 8.604 -3.466 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 35 10.501 -4.577 -4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.936 -2.593 -6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.564 -2.125 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.127 -5.563 -6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.476 -5.066 -6.840 1.00 0.00 H new ATOM 558 N ARG A 36 8.856 -3.286 -2.564 1.00 0.00 N ATOM 559 CA ARG A 36 8.148 -2.408 -1.583 1.00 0.00 C ATOM 560 C ARG A 36 9.184 -1.744 -0.656 1.00 0.00 C ATOM 561 O ARG A 36 8.948 -0.694 -0.093 1.00 0.00 O ATOM 562 CB ARG A 36 7.118 -3.252 -0.781 1.00 0.00 C ATOM 563 CG ARG A 36 7.728 -3.868 0.494 1.00 0.00 C ATOM 564 CD ARG A 36 6.658 -4.663 1.247 1.00 0.00 C ATOM 565 NE ARG A 36 6.713 -4.321 2.696 1.00 0.00 N ATOM 566 CZ ARG A 36 6.650 -5.269 3.591 1.00 0.00 C ATOM 567 NH1 ARG A 36 7.695 -6.015 3.827 1.00 0.00 N ATOM 568 NH2 ARG A 36 5.542 -5.470 4.253 1.00 0.00 N ATOM 0 H ARG A 36 8.879 -4.276 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 36 7.603 -1.620 -2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.271 -2.623 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.731 -4.048 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.561 -4.520 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.128 -3.081 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.671 -4.435 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.819 -5.732 1.108 1.00 0.00 H new ATOM 0 HE ARG A 36 6.800 -3.348 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.561 -5.857 3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.645 -6.756 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.726 -4.886 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.493 -6.211 4.952 1.00 0.00 H new ATOM 582 N GLU A 37 10.320 -2.371 -0.491 1.00 0.00 N ATOM 583 CA GLU A 37 11.378 -1.809 0.401 1.00 0.00 C ATOM 584 C GLU A 37 12.059 -0.621 -0.286 1.00 0.00 C ATOM 585 O GLU A 37 12.414 0.353 0.352 1.00 0.00 O ATOM 586 CB GLU A 37 12.420 -2.895 0.693 1.00 0.00 C ATOM 587 CG GLU A 37 13.413 -2.398 1.751 1.00 0.00 C ATOM 588 CD GLU A 37 13.084 -3.028 3.107 1.00 0.00 C ATOM 589 OE1 GLU A 37 12.271 -2.463 3.819 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.653 -4.065 3.409 1.00 0.00 O ATOM 0 H GLU A 37 10.562 -3.255 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 37 10.925 -1.472 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.925 -3.801 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.951 -3.156 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.431 -2.655 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.367 -1.311 1.824 1.00 0.00 H new ATOM 597 N ARG A 38 12.248 -0.700 -1.578 1.00 0.00 N ATOM 598 CA ARG A 38 12.913 0.415 -2.316 1.00 0.00 C ATOM 599 C ARG A 38 11.868 1.452 -2.740 1.00 0.00 C ATOM 600 O ARG A 38 12.156 2.629 -2.848 1.00 0.00 O ATOM 601 CB ARG A 38 13.613 -0.151 -3.558 1.00 0.00 C ATOM 602 CG ARG A 38 15.017 0.445 -3.684 1.00 0.00 C ATOM 603 CD ARG A 38 15.853 -0.423 -4.627 1.00 0.00 C ATOM 604 NE ARG A 38 17.285 -0.025 -4.531 1.00 0.00 N ATOM 605 CZ ARG A 38 17.773 0.862 -5.354 1.00 0.00 C ATOM 606 NH1 ARG A 38 18.223 0.491 -6.520 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.808 2.121 -5.012 1.00 0.00 N ATOM 0 H ARG A 38 11.969 -1.493 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 38 13.647 0.895 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.675 -1.237 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.030 0.078 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.959 1.464 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.491 0.498 -2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.739 -1.475 -4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.501 -0.308 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 38 17.885 -0.446 -3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.193 -0.493 -6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.605 1.184 -7.164 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.454 2.412 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.190 2.814 -5.656 1.00 0.00 H new ATOM 621 N PHE A 39 10.658 1.020 -2.980 1.00 0.00 N ATOM 622 CA PHE A 39 9.586 1.967 -3.400 1.00 0.00 C ATOM 623 C PHE A 39 9.220 2.871 -2.211 1.00 0.00 C ATOM 624 O PHE A 39 9.212 4.082 -2.321 1.00 0.00 O ATOM 625 CB PHE A 39 8.362 1.150 -3.871 1.00 0.00 C ATOM 626 CG PHE A 39 7.111 2.007 -3.911 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.321 2.131 -2.762 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.749 2.672 -5.086 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.167 2.921 -2.789 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.594 3.460 -5.114 1.00 0.00 C ATOM 631 CZ PHE A 39 4.803 3.585 -3.965 1.00 0.00 C ATOM 0 H PHE A 39 10.366 0.046 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 39 9.927 2.598 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.556 0.739 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.206 0.305 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.602 1.617 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.361 2.577 -5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.558 3.018 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.312 3.972 -6.022 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.912 4.194 -3.987 1.00 0.00 H new ATOM 641 N VAL A 40 8.896 2.285 -1.087 1.00 0.00 N ATOM 642 CA VAL A 40 8.506 3.096 0.106 1.00 0.00 C ATOM 643 C VAL A 40 9.602 4.113 0.447 1.00 0.00 C ATOM 644 O VAL A 40 9.314 5.246 0.760 1.00 0.00 O ATOM 645 CB VAL A 40 8.275 2.162 1.305 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.890 2.980 2.544 1.00 0.00 C ATOM 647 CG2 VAL A 40 7.140 1.188 0.982 1.00 0.00 C ATOM 0 H VAL A 40 8.885 1.275 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 40 7.588 3.638 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 40 9.194 1.612 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.729 2.309 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.693 3.677 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.974 3.536 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.976 0.526 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.228 1.748 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.407 0.596 0.107 1.00 0.00 H new ATOM 657 N GLN A 41 10.845 3.710 0.409 1.00 0.00 N ATOM 658 CA GLN A 41 11.952 4.651 0.762 1.00 0.00 C ATOM 659 C GLN A 41 12.209 5.663 -0.360 1.00 0.00 C ATOM 660 O GLN A 41 12.772 6.718 -0.124 1.00 0.00 O ATOM 661 CB GLN A 41 13.231 3.854 1.017 1.00 0.00 C ATOM 662 CG GLN A 41 14.204 4.708 1.831 1.00 0.00 C ATOM 663 CD GLN A 41 15.490 3.919 2.078 1.00 0.00 C ATOM 664 OE1 GLN A 41 15.680 3.363 3.141 1.00 0.00 O ATOM 665 NE2 GLN A 41 16.388 3.846 1.133 1.00 0.00 N ATOM 0 H GLN A 41 11.143 2.770 0.149 1.00 0.00 H new ATOM 0 HA GLN A 41 11.657 5.199 1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.999 2.934 1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.687 3.564 0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.428 5.632 1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.750 4.991 2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 41 16.228 4.313 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 41 17.249 3.322 1.287 1.00 0.00 H new ATOM 674 N GLU A 42 11.831 5.355 -1.576 1.00 0.00 N ATOM 675 CA GLU A 42 12.089 6.310 -2.698 1.00 0.00 C ATOM 676 C GLU A 42 10.778 6.720 -3.377 1.00 0.00 C ATOM 677 O GLU A 42 10.781 7.133 -4.523 1.00 0.00 O ATOM 678 CB GLU A 42 13.006 5.641 -3.726 1.00 0.00 C ATOM 679 CG GLU A 42 14.376 5.375 -3.097 1.00 0.00 C ATOM 680 CD GLU A 42 15.323 6.534 -3.415 1.00 0.00 C ATOM 681 OE1 GLU A 42 14.967 7.662 -3.117 1.00 0.00 O ATOM 682 OE2 GLU A 42 16.388 6.274 -3.951 1.00 0.00 O ATOM 0 H GLU A 42 11.358 4.490 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 42 12.564 7.204 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.564 4.705 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.115 6.281 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.275 5.261 -2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.787 4.441 -3.480 1.00 0.00 H new ATOM 689 N VAL A 43 9.660 6.615 -2.694 1.00 0.00 N ATOM 690 CA VAL A 43 8.362 7.011 -3.331 1.00 0.00 C ATOM 691 C VAL A 43 7.341 7.462 -2.272 1.00 0.00 C ATOM 692 O VAL A 43 6.571 8.374 -2.510 1.00 0.00 O ATOM 693 CB VAL A 43 7.782 5.825 -4.119 1.00 0.00 C ATOM 694 CG1 VAL A 43 6.532 6.280 -4.878 1.00 0.00 C ATOM 695 CG2 VAL A 43 8.815 5.312 -5.126 1.00 0.00 C ATOM 0 H VAL A 43 9.590 6.276 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 43 8.558 7.844 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 43 7.526 5.027 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.120 5.440 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.788 6.644 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.797 7.080 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.397 4.472 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.075 6.111 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.710 4.987 -4.596 1.00 0.00 H new ATOM 705 N LEU A 44 7.301 6.825 -1.126 1.00 0.00 N ATOM 706 CA LEU A 44 6.297 7.217 -0.088 1.00 0.00 C ATOM 707 C LEU A 44 6.544 8.656 0.407 1.00 0.00 C ATOM 708 O LEU A 44 5.633 9.463 0.388 1.00 0.00 O ATOM 709 CB LEU A 44 6.368 6.236 1.088 1.00 0.00 C ATOM 710 CG LEU A 44 5.070 6.295 1.904 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.882 5.871 1.035 1.00 0.00 C ATOM 712 CD2 LEU A 44 5.185 5.347 3.097 1.00 0.00 C ATOM 0 H LEU A 44 7.917 6.055 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 44 5.303 7.181 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.528 5.223 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.218 6.481 1.725 1.00 0.00 H new ATOM 0 HG LEU A 44 4.911 7.316 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.966 5.916 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.798 6.543 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.036 4.852 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.266 5.384 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.347 4.330 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.025 5.650 3.723 1.00 0.00 H new ATOM 724 N PRO A 45 7.755 8.937 0.844 1.00 0.00 N ATOM 725 CA PRO A 45 8.021 10.315 1.341 1.00 0.00 C ATOM 726 C PRO A 45 7.981 11.326 0.192 1.00 0.00 C ATOM 727 O PRO A 45 7.770 12.505 0.405 1.00 0.00 O ATOM 728 CB PRO A 45 9.425 10.256 1.935 1.00 0.00 C ATOM 729 CG PRO A 45 10.122 9.065 1.263 1.00 0.00 C ATOM 730 CD PRO A 45 9.008 8.142 0.749 1.00 0.00 C ATOM 0 HA PRO A 45 7.273 10.633 2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.967 11.182 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.385 10.125 3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.758 9.400 0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.764 8.541 1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.199 7.832 -0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.943 7.234 1.349 1.00 0.00 H new ATOM 738 N LYS A 46 8.190 10.879 -1.022 1.00 0.00 N ATOM 739 CA LYS A 46 8.177 11.815 -2.187 1.00 0.00 C ATOM 740 C LYS A 46 6.830 12.548 -2.262 1.00 0.00 C ATOM 741 O LYS A 46 6.738 13.627 -2.816 1.00 0.00 O ATOM 742 CB LYS A 46 8.410 11.024 -3.480 1.00 0.00 C ATOM 743 CG LYS A 46 9.461 11.737 -4.339 1.00 0.00 C ATOM 744 CD LYS A 46 10.869 11.272 -3.933 1.00 0.00 C ATOM 745 CE LYS A 46 11.469 10.407 -5.044 1.00 0.00 C ATOM 746 NZ LYS A 46 12.741 9.795 -4.567 1.00 0.00 N ATOM 0 H LYS A 46 8.370 9.903 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 46 8.971 12.551 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.743 10.013 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.476 10.930 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.288 11.523 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.375 12.816 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.508 12.135 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.821 10.705 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.764 9.627 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.655 11.013 -5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.148 9.207 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.414 10.546 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.550 9.204 -3.733 1.00 0.00 H new ATOM 760 N TYR A 47 5.790 11.971 -1.713 1.00 0.00 N ATOM 761 CA TYR A 47 4.454 12.633 -1.758 1.00 0.00 C ATOM 762 C TYR A 47 4.052 13.090 -0.353 1.00 0.00 C ATOM 763 O TYR A 47 3.769 14.253 -0.129 1.00 0.00 O ATOM 764 CB TYR A 47 3.419 11.642 -2.293 1.00 0.00 C ATOM 765 CG TYR A 47 3.688 11.381 -3.753 1.00 0.00 C ATOM 766 CD1 TYR A 47 4.760 10.562 -4.131 1.00 0.00 C ATOM 767 CD2 TYR A 47 2.871 11.961 -4.732 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.013 10.322 -5.487 1.00 0.00 C ATOM 769 CE2 TYR A 47 3.124 11.721 -6.088 1.00 0.00 C ATOM 770 CZ TYR A 47 4.194 10.901 -6.466 1.00 0.00 C ATOM 771 OH TYR A 47 4.444 10.663 -7.802 1.00 0.00 O ATOM 0 H TYR A 47 5.811 11.070 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 47 4.502 13.503 -2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.466 10.710 -1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.414 12.042 -2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.391 10.116 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.046 12.594 -4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.839 9.691 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.494 12.168 -6.842 1.00 0.00 H new ATOM 0 HH TYR A 47 5.223 10.075 -7.889 1.00 0.00 H new ATOM 781 N PHE A 48 4.019 12.184 0.593 1.00 0.00 N ATOM 782 CA PHE A 48 3.631 12.563 1.985 1.00 0.00 C ATOM 783 C PHE A 48 4.877 12.968 2.777 1.00 0.00 C ATOM 784 O PHE A 48 5.984 12.930 2.275 1.00 0.00 O ATOM 785 CB PHE A 48 2.961 11.368 2.670 1.00 0.00 C ATOM 786 CG PHE A 48 1.596 11.138 2.065 1.00 0.00 C ATOM 787 CD1 PHE A 48 0.662 12.181 2.013 1.00 0.00 C ATOM 788 CD2 PHE A 48 1.266 9.878 1.553 1.00 0.00 C ATOM 789 CE1 PHE A 48 -0.601 11.962 1.448 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.005 9.660 0.988 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.929 10.701 0.935 1.00 0.00 C ATOM 0 H PHE A 48 4.244 11.198 0.460 1.00 0.00 H new ATOM 0 HA PHE A 48 2.937 13.403 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.577 10.476 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.869 11.554 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.916 13.153 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.985 9.073 1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.322 12.765 1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.248 8.687 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.902 10.532 0.499 1.00 0.00 H new ATOM 801 N LYS A 49 4.696 13.352 4.015 1.00 0.00 N ATOM 802 CA LYS A 49 5.857 13.757 4.859 1.00 0.00 C ATOM 803 C LYS A 49 6.101 12.681 5.918 1.00 0.00 C ATOM 804 O LYS A 49 7.040 11.914 5.831 1.00 0.00 O ATOM 805 CB LYS A 49 5.550 15.097 5.541 1.00 0.00 C ATOM 806 CG LYS A 49 6.359 16.214 4.878 1.00 0.00 C ATOM 807 CD LYS A 49 5.889 16.395 3.433 1.00 0.00 C ATOM 808 CE LYS A 49 7.070 16.824 2.560 1.00 0.00 C ATOM 809 NZ LYS A 49 6.559 17.424 1.295 1.00 0.00 N ATOM 0 H LYS A 49 3.789 13.402 4.478 1.00 0.00 H new ATOM 0 HA LYS A 49 6.747 13.868 4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.485 15.316 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.794 15.040 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.235 17.145 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.421 15.970 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.466 15.463 3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.099 17.145 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.688 17.546 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.703 15.965 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.361 17.716 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.987 16.722 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.972 18.254 1.517 1.00 0.00 H new ATOM 823 N HIS A 50 5.256 12.622 6.916 1.00 0.00 N ATOM 824 CA HIS A 50 5.426 11.598 7.986 1.00 0.00 C ATOM 825 C HIS A 50 4.375 10.500 7.806 1.00 0.00 C ATOM 826 O HIS A 50 3.391 10.444 8.519 1.00 0.00 O ATOM 827 CB HIS A 50 5.257 12.259 9.357 1.00 0.00 C ATOM 828 CG HIS A 50 6.504 13.028 9.698 1.00 0.00 C ATOM 829 ND1 HIS A 50 6.470 14.355 10.097 1.00 0.00 N ATOM 830 CD2 HIS A 50 7.828 12.668 9.704 1.00 0.00 C ATOM 831 CE1 HIS A 50 7.740 14.742 10.326 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.607 13.751 10.101 1.00 0.00 N ATOM 0 H HIS A 50 4.454 13.241 7.034 1.00 0.00 H new ATOM 0 HA HIS A 50 6.422 11.160 7.921 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.396 12.927 9.347 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.064 11.502 10.117 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.208 11.692 9.441 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.023 15.732 10.652 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.622 13.781 10.199 1.00 0.00 H new ATOM 840 N SER A 51 4.580 9.631 6.849 1.00 0.00 N ATOM 841 CA SER A 51 3.602 8.532 6.605 1.00 0.00 C ATOM 842 C SER A 51 4.319 7.182 6.686 1.00 0.00 C ATOM 843 O SER A 51 5.501 7.113 6.966 1.00 0.00 O ATOM 844 CB SER A 51 2.989 8.701 5.215 1.00 0.00 C ATOM 845 OG SER A 51 2.171 9.864 5.200 1.00 0.00 O ATOM 0 H SER A 51 5.386 9.637 6.225 1.00 0.00 H new ATOM 0 HA SER A 51 2.815 8.569 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.776 8.786 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.397 7.823 4.957 1.00 0.00 H new ATOM 0 HG SER A 51 1.531 9.804 4.460 1.00 0.00 H new ATOM 851 N ASN A 52 3.607 6.112 6.443 1.00 0.00 N ATOM 852 CA ASN A 52 4.232 4.757 6.502 1.00 0.00 C ATOM 853 C ASN A 52 3.451 3.806 5.588 1.00 0.00 C ATOM 854 O ASN A 52 2.336 4.093 5.196 1.00 0.00 O ATOM 855 CB ASN A 52 4.190 4.245 7.951 1.00 0.00 C ATOM 856 CG ASN A 52 5.602 3.878 8.418 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.208 2.961 7.901 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.154 4.561 9.385 1.00 0.00 N ATOM 0 H ASN A 52 2.615 6.119 6.205 1.00 0.00 H new ATOM 0 HA ASN A 52 5.269 4.807 6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.770 5.010 8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.538 3.374 8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.093 4.324 9.705 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.646 5.331 9.820 1.00 0.00 H new ATOM 865 N PHE A 53 4.028 2.678 5.239 1.00 0.00 N ATOM 866 CA PHE A 53 3.321 1.708 4.342 1.00 0.00 C ATOM 867 C PHE A 53 1.933 1.369 4.913 1.00 0.00 C ATOM 868 O PHE A 53 0.957 1.288 4.190 1.00 0.00 O ATOM 869 CB PHE A 53 4.162 0.426 4.208 1.00 0.00 C ATOM 870 CG PHE A 53 4.275 -0.279 5.545 1.00 0.00 C ATOM 871 CD1 PHE A 53 5.260 0.097 6.467 1.00 0.00 C ATOM 872 CD2 PHE A 53 3.381 -1.309 5.857 1.00 0.00 C ATOM 873 CE1 PHE A 53 5.349 -0.561 7.702 1.00 0.00 C ATOM 874 CE2 PHE A 53 3.470 -1.966 7.088 1.00 0.00 C ATOM 875 CZ PHE A 53 4.454 -1.592 8.011 1.00 0.00 C ATOM 0 H PHE A 53 4.959 2.388 5.538 1.00 0.00 H new ATOM 0 HA PHE A 53 3.192 2.160 3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.705 -0.241 3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.156 0.674 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.950 0.893 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.621 -1.597 5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.108 -0.273 8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.780 -2.762 7.327 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.523 -2.099 8.962 1.00 0.00 H new ATOM 885 N ALA A 54 1.846 1.176 6.206 1.00 0.00 N ATOM 886 CA ALA A 54 0.533 0.844 6.839 1.00 0.00 C ATOM 887 C ALA A 54 -0.477 1.960 6.546 1.00 0.00 C ATOM 888 O ALA A 54 -1.630 1.701 6.256 1.00 0.00 O ATOM 889 CB ALA A 54 0.717 0.701 8.352 1.00 0.00 C ATOM 0 H ALA A 54 2.632 1.235 6.853 1.00 0.00 H new ATOM 0 HA ALA A 54 0.160 -0.095 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.240 0.459 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.431 -0.096 8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.091 1.638 8.763 1.00 0.00 H new ATOM 895 N SER A 55 -0.048 3.198 6.609 1.00 0.00 N ATOM 896 CA SER A 55 -0.977 4.331 6.325 1.00 0.00 C ATOM 897 C SER A 55 -1.438 4.245 4.868 1.00 0.00 C ATOM 898 O SER A 55 -2.569 4.556 4.547 1.00 0.00 O ATOM 899 CB SER A 55 -0.253 5.660 6.551 1.00 0.00 C ATOM 900 OG SER A 55 -1.180 6.624 7.034 1.00 0.00 O ATOM 0 H SER A 55 0.906 3.470 6.845 1.00 0.00 H new ATOM 0 HA SER A 55 -1.838 4.273 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.558 5.528 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.196 6.005 5.620 1.00 0.00 H new ATOM 0 HG SER A 55 -0.719 7.476 7.181 1.00 0.00 H new ATOM 906 N PHE A 56 -0.568 3.817 3.990 1.00 0.00 N ATOM 907 CA PHE A 56 -0.941 3.695 2.550 1.00 0.00 C ATOM 908 C PHE A 56 -2.050 2.651 2.404 1.00 0.00 C ATOM 909 O PHE A 56 -2.917 2.766 1.556 1.00 0.00 O ATOM 910 CB PHE A 56 0.288 3.258 1.748 1.00 0.00 C ATOM 911 CG PHE A 56 0.114 3.640 0.298 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.737 2.895 -0.526 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.812 4.734 -0.224 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.893 3.247 -1.872 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.659 5.086 -1.571 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.194 4.341 -2.395 1.00 0.00 C ATOM 0 H PHE A 56 0.390 3.545 4.211 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.296 4.655 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.184 3.729 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.427 2.180 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.273 2.048 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.470 5.308 0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.553 2.674 -2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.198 5.931 -1.974 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.312 4.611 -3.434 1.00 0.00 H new ATOM 926 N VAL A 57 -2.024 1.634 3.227 1.00 0.00 N ATOM 927 CA VAL A 57 -3.068 0.570 3.149 1.00 0.00 C ATOM 928 C VAL A 57 -4.416 1.132 3.610 1.00 0.00 C ATOM 929 O VAL A 57 -5.438 0.894 2.996 1.00 0.00 O ATOM 930 CB VAL A 57 -2.677 -0.602 4.056 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.630 -1.781 3.819 1.00 0.00 C ATOM 932 CG2 VAL A 57 -1.239 -1.035 3.748 1.00 0.00 C ATOM 0 H VAL A 57 -1.321 1.495 3.953 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.149 0.226 2.118 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.745 -0.287 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.349 -2.612 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.651 -1.475 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.568 -2.095 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.964 -1.868 4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.168 -1.345 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.562 -0.200 3.925 1.00 0.00 H new ATOM 942 N ARG A 58 -4.423 1.870 4.693 1.00 0.00 N ATOM 943 CA ARG A 58 -5.700 2.448 5.209 1.00 0.00 C ATOM 944 C ARG A 58 -6.310 3.382 4.161 1.00 0.00 C ATOM 945 O ARG A 58 -7.517 3.481 4.037 1.00 0.00 O ATOM 946 CB ARG A 58 -5.421 3.233 6.493 1.00 0.00 C ATOM 947 CG ARG A 58 -5.309 2.265 7.673 1.00 0.00 C ATOM 948 CD ARG A 58 -6.709 1.904 8.179 1.00 0.00 C ATOM 949 NE ARG A 58 -7.118 0.589 7.610 1.00 0.00 N ATOM 950 CZ ARG A 58 -6.910 -0.509 8.286 1.00 0.00 C ATOM 951 NH1 ARG A 58 -7.767 -0.886 9.196 1.00 0.00 N ATOM 952 NH2 ARG A 58 -5.849 -1.229 8.051 1.00 0.00 N ATOM 0 H ARG A 58 -3.595 2.097 5.243 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.401 1.640 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.498 3.804 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.221 3.951 6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.779 1.363 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.728 2.720 8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.713 1.858 9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.422 2.676 7.889 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.561 0.546 6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.598 -0.323 9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.606 -1.743 9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.181 -0.935 7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.687 -2.086 8.579 1.00 0.00 H new ATOM 966 N GLN A 59 -5.487 4.070 3.413 1.00 0.00 N ATOM 967 CA GLN A 59 -6.012 5.004 2.373 1.00 0.00 C ATOM 968 C GLN A 59 -6.731 4.209 1.278 1.00 0.00 C ATOM 969 O GLN A 59 -7.865 4.484 0.943 1.00 0.00 O ATOM 970 CB GLN A 59 -4.849 5.778 1.747 1.00 0.00 C ATOM 971 CG GLN A 59 -4.142 6.612 2.819 1.00 0.00 C ATOM 972 CD GLN A 59 -4.851 7.958 2.972 1.00 0.00 C ATOM 973 OE1 GLN A 59 -4.506 8.918 2.312 1.00 0.00 O ATOM 974 NE2 GLN A 59 -5.834 8.071 3.823 1.00 0.00 N ATOM 0 H GLN A 59 -4.470 4.025 3.478 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.711 5.699 2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.144 5.084 1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.218 6.427 0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.144 6.078 3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.099 6.768 2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.124 7.265 4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.312 8.965 3.934 1.00 0.00 H new ATOM 983 N LEU A 60 -6.069 3.229 0.713 1.00 0.00 N ATOM 984 CA LEU A 60 -6.690 2.414 -0.381 1.00 0.00 C ATOM 985 C LEU A 60 -8.037 1.832 0.061 1.00 0.00 C ATOM 986 O LEU A 60 -8.996 1.842 -0.688 1.00 0.00 O ATOM 987 CB LEU A 60 -5.750 1.263 -0.751 1.00 0.00 C ATOM 988 CG LEU A 60 -4.430 1.823 -1.276 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.374 0.717 -1.285 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.632 2.346 -2.699 1.00 0.00 C ATOM 0 H LEU A 60 -5.119 2.956 0.964 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.855 3.064 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.568 0.635 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.214 0.631 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.097 2.637 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.432 1.117 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.232 0.342 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.705 -0.097 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.691 2.746 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.964 1.531 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.385 3.134 -2.694 1.00 0.00 H new ATOM 1002 N ASN A 61 -8.113 1.312 1.258 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.393 0.709 1.736 1.00 0.00 C ATOM 1004 C ASN A 61 -10.423 1.809 2.033 1.00 0.00 C ATOM 1005 O ASN A 61 -11.616 1.564 2.019 1.00 0.00 O ATOM 1006 CB ASN A 61 -9.122 -0.100 3.013 1.00 0.00 C ATOM 1007 CG ASN A 61 -9.830 -1.455 2.927 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -11.025 -1.542 3.123 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -9.136 -2.522 2.641 1.00 0.00 N ATOM 0 H ASN A 61 -7.343 1.279 1.926 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.793 0.056 0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.050 -0.247 3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.475 0.450 3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.597 -3.430 2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.132 -2.448 2.476 1.00 0.00 H new ATOM 1016 N MET A 62 -9.977 3.006 2.321 1.00 0.00 N ATOM 1017 CA MET A 62 -10.935 4.109 2.641 1.00 0.00 C ATOM 1018 C MET A 62 -11.338 4.891 1.381 1.00 0.00 C ATOM 1019 O MET A 62 -12.001 5.907 1.480 1.00 0.00 O ATOM 1020 CB MET A 62 -10.285 5.071 3.639 1.00 0.00 C ATOM 1021 CG MET A 62 -10.011 4.339 4.955 1.00 0.00 C ATOM 1022 SD MET A 62 -11.500 4.373 5.985 1.00 0.00 S ATOM 1023 CE MET A 62 -11.260 6.024 6.688 1.00 0.00 C ATOM 0 H MET A 62 -8.991 3.267 2.348 1.00 0.00 H new ATOM 0 HA MET A 62 -11.833 3.662 3.068 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.354 5.462 3.228 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.939 5.925 3.816 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.717 3.308 4.756 1.00 0.00 H new ATOM 0 HG3 MET A 62 -9.181 4.812 5.481 1.00 0.00 H new ATOM 0 HE1 MET A 62 -12.227 6.513 6.806 1.00 0.00 H new ATOM 0 HE2 MET A 62 -10.776 5.938 7.661 1.00 0.00 H new ATOM 0 HE3 MET A 62 -10.633 6.616 6.021 1.00 0.00 H new ATOM 1033 N TYR A 63 -10.946 4.449 0.205 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.320 5.208 -1.029 1.00 0.00 C ATOM 1035 C TYR A 63 -12.088 4.320 -2.014 1.00 0.00 C ATOM 1036 O TYR A 63 -13.078 4.746 -2.581 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.057 5.753 -1.689 1.00 0.00 C ATOM 1038 CG TYR A 63 -9.617 6.989 -0.942 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -10.484 8.083 -0.828 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.350 7.037 -0.353 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.080 9.226 -0.127 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -7.946 8.179 0.350 1.00 0.00 C ATOM 1043 CZ TYR A 63 -8.812 9.274 0.463 1.00 0.00 C ATOM 1044 OH TYR A 63 -8.416 10.400 1.155 1.00 0.00 O ATOM 0 H TYR A 63 -10.391 3.607 0.050 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.973 6.034 -0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.268 5.001 -1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.250 5.992 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.464 8.045 -1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.682 6.193 -0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.747 10.071 -0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.967 8.215 0.805 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.509 10.268 1.502 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.657 3.098 -2.232 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.397 2.220 -3.194 1.00 0.00 C ATOM 1056 C GLY A 64 -11.645 0.908 -3.441 1.00 0.00 C ATOM 1057 O GLY A 64 -12.254 -0.122 -3.649 1.00 0.00 O ATOM 0 H GLY A 64 -10.838 2.677 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.391 2.004 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.534 2.746 -4.139 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.333 0.929 -3.432 1.00 0.00 N ATOM 1062 CA TRP A 65 -9.551 -0.330 -3.682 1.00 0.00 C ATOM 1063 C TRP A 65 -9.996 -1.428 -2.708 1.00 0.00 C ATOM 1064 O TRP A 65 -10.400 -1.146 -1.595 1.00 0.00 O ATOM 1065 CB TRP A 65 -8.062 -0.048 -3.486 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.600 0.914 -4.533 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.702 2.260 -4.449 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -6.972 0.628 -5.815 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.175 2.819 -5.600 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -6.712 1.853 -6.472 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.605 -0.565 -6.466 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.110 1.894 -7.731 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -5.999 -0.527 -7.733 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -5.751 0.700 -8.363 1.00 0.00 C ATOM 0 H TRP A 65 -9.768 1.761 -3.263 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.731 -0.666 -4.703 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.886 0.365 -2.493 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -7.493 -0.975 -3.551 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.125 2.808 -3.620 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.134 3.822 -5.782 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.790 -1.516 -5.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.923 2.842 -8.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.723 -1.448 -8.224 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.283 0.723 -9.336 1.00 0.00 H new ATOM 1085 N HIS A 66 -9.934 -2.675 -3.118 1.00 0.00 N ATOM 1086 CA HIS A 66 -10.365 -3.779 -2.205 1.00 0.00 C ATOM 1087 C HIS A 66 -9.215 -4.749 -1.923 1.00 0.00 C ATOM 1088 O HIS A 66 -9.415 -5.786 -1.322 1.00 0.00 O ATOM 1089 CB HIS A 66 -11.525 -4.549 -2.842 1.00 0.00 C ATOM 1090 CG HIS A 66 -12.728 -3.654 -2.973 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -13.775 -3.683 -2.064 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -13.070 -2.708 -3.907 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -14.689 -2.783 -2.470 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -14.309 -2.160 -3.588 1.00 0.00 N ATOM 0 H HIS A 66 -9.606 -2.972 -4.037 1.00 0.00 H new ATOM 0 HA HIS A 66 -10.681 -3.333 -1.262 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -11.230 -4.921 -3.823 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -11.773 -5.418 -2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.469 -2.431 -4.760 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -15.618 -2.588 -1.954 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.817 -1.438 -4.098 1.00 0.00 H new ATOM 1102 N LYS A 67 -8.015 -4.415 -2.332 1.00 0.00 N ATOM 1103 CA LYS A 67 -6.822 -5.305 -2.084 1.00 0.00 C ATOM 1104 C LYS A 67 -7.166 -6.781 -2.371 1.00 0.00 C ATOM 1105 O LYS A 67 -8.143 -7.078 -3.031 1.00 0.00 O ATOM 1106 CB LYS A 67 -6.385 -5.153 -0.624 1.00 0.00 C ATOM 1107 CG LYS A 67 -4.853 -5.208 -0.528 1.00 0.00 C ATOM 1108 CD LYS A 67 -4.292 -3.801 -0.272 1.00 0.00 C ATOM 1109 CE LYS A 67 -3.261 -3.850 0.862 1.00 0.00 C ATOM 1110 NZ LYS A 67 -2.320 -2.701 0.724 1.00 0.00 N ATOM 0 H LYS A 67 -7.802 -3.553 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.014 -5.008 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.749 -4.207 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.825 -5.946 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.555 -5.879 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.437 -5.612 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.829 -3.414 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.101 -3.119 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.764 -3.809 1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.711 -4.791 0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.524 -2.823 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.960 -2.663 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.819 -1.815 0.944 1.00 0.00 H new ATOM 1124 N VAL A 68 -6.383 -7.702 -1.861 1.00 0.00 N ATOM 1125 CA VAL A 68 -6.678 -9.149 -2.081 1.00 0.00 C ATOM 1126 C VAL A 68 -7.859 -9.546 -1.185 1.00 0.00 C ATOM 1127 O VAL A 68 -8.222 -8.821 -0.278 1.00 0.00 O ATOM 1128 CB VAL A 68 -5.441 -9.982 -1.721 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -5.715 -11.462 -1.992 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -4.255 -9.528 -2.575 1.00 0.00 C ATOM 0 H VAL A 68 -5.552 -7.511 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.931 -9.330 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.212 -9.842 -0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.833 -12.048 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.560 -11.792 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.948 -11.602 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.376 -10.119 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.492 -9.667 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.052 -8.474 -2.384 1.00 0.00 H new ATOM 1140 N GLN A 69 -8.470 -10.677 -1.441 1.00 0.00 N ATOM 1141 CA GLN A 69 -9.638 -11.105 -0.612 1.00 0.00 C ATOM 1142 C GLN A 69 -9.225 -12.226 0.351 1.00 0.00 C ATOM 1143 O GLN A 69 -9.926 -13.208 0.504 1.00 0.00 O ATOM 1144 CB GLN A 69 -10.753 -11.598 -1.536 1.00 0.00 C ATOM 1145 CG GLN A 69 -11.440 -10.398 -2.194 1.00 0.00 C ATOM 1146 CD GLN A 69 -12.523 -10.891 -3.154 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -13.654 -10.451 -3.092 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -12.223 -11.794 -4.047 1.00 0.00 N ATOM 0 H GLN A 69 -8.210 -11.321 -2.188 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.993 -10.258 -0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.342 -12.258 -2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.479 -12.180 -0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.880 -9.755 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.708 -9.797 -2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.274 -12.164 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.938 -12.130 -4.692 1.00 0.00 H new ATOM 1157 N ASP A 70 -8.095 -12.070 1.006 1.00 0.00 N ATOM 1158 CA ASP A 70 -7.585 -13.091 1.993 1.00 0.00 C ATOM 1159 C ASP A 70 -7.802 -14.531 1.490 1.00 0.00 C ATOM 1160 O ASP A 70 -8.414 -15.349 2.153 1.00 0.00 O ATOM 1161 CB ASP A 70 -8.272 -12.898 3.355 1.00 0.00 C ATOM 1162 CG ASP A 70 -9.794 -12.920 3.197 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -10.329 -13.984 2.931 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -10.400 -11.872 3.347 1.00 0.00 O ATOM 0 H ASP A 70 -7.488 -11.258 0.897 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.511 -12.937 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.960 -13.686 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.960 -11.951 3.795 1.00 0.00 H new ATOM 1169 N VAL A 71 -7.292 -14.840 0.327 1.00 0.00 N ATOM 1170 CA VAL A 71 -7.446 -16.218 -0.232 1.00 0.00 C ATOM 1171 C VAL A 71 -6.252 -16.527 -1.133 1.00 0.00 C ATOM 1172 O VAL A 71 -5.844 -15.710 -1.936 1.00 0.00 O ATOM 1173 CB VAL A 71 -8.740 -16.315 -1.049 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -9.940 -16.343 -0.100 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -8.857 -15.109 -1.989 1.00 0.00 C ATOM 0 H VAL A 71 -6.771 -14.193 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.491 -16.936 0.587 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.722 -17.229 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.861 -16.412 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.861 -17.207 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.954 -15.430 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.779 -15.185 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.871 -14.190 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.004 -15.093 -2.668 1.00 0.00 H new ATOM 1185 N LYS A 72 -5.684 -17.701 -1.001 1.00 0.00 N ATOM 1186 CA LYS A 72 -4.504 -18.072 -1.843 1.00 0.00 C ATOM 1187 C LYS A 72 -3.361 -17.085 -1.580 1.00 0.00 C ATOM 1188 O LYS A 72 -2.656 -16.682 -2.487 1.00 0.00 O ATOM 1189 CB LYS A 72 -4.891 -18.025 -3.326 1.00 0.00 C ATOM 1190 CG LYS A 72 -4.158 -19.134 -4.083 1.00 0.00 C ATOM 1191 CD LYS A 72 -4.906 -19.446 -5.380 1.00 0.00 C ATOM 1192 CE LYS A 72 -4.834 -18.234 -6.313 1.00 0.00 C ATOM 1193 NZ LYS A 72 -5.805 -18.411 -7.429 1.00 0.00 N ATOM 0 H LYS A 72 -5.988 -18.420 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.181 -19.081 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.969 -18.147 -3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.636 -17.053 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.137 -18.824 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.092 -20.029 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.468 -20.318 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.946 -19.691 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.060 -17.322 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.824 -18.125 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.758 -17.589 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.569 -19.273 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.767 -18.495 -7.042 1.00 0.00 H new ATOM 1207 N SER A 73 -3.181 -16.691 -0.344 1.00 0.00 N ATOM 1208 CA SER A 73 -2.092 -15.725 -0.011 1.00 0.00 C ATOM 1209 C SER A 73 -0.799 -16.482 0.303 1.00 0.00 C ATOM 1210 O SER A 73 0.132 -16.482 -0.480 1.00 0.00 O ATOM 1211 CB SER A 73 -2.502 -14.891 1.205 1.00 0.00 C ATOM 1212 OG SER A 73 -1.391 -14.117 1.639 1.00 0.00 O ATOM 0 H SER A 73 -3.743 -16.998 0.450 1.00 0.00 H new ATOM 0 HA SER A 73 -1.924 -15.069 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.337 -14.239 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.843 -15.543 2.010 1.00 0.00 H new ATOM 0 HG SER A 73 -1.650 -13.580 2.417 1.00 0.00 H new ATOM 1218 N GLY A 74 -0.734 -17.121 1.445 1.00 0.00 N ATOM 1219 CA GLY A 74 0.503 -17.875 1.816 1.00 0.00 C ATOM 1220 C GLY A 74 1.597 -16.880 2.201 1.00 0.00 C ATOM 1221 O GLY A 74 2.761 -17.076 1.911 1.00 0.00 O ATOM 0 H GLY A 74 -1.484 -17.153 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.298 -18.549 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.833 -18.492 0.980 1.00 0.00 H new ATOM 1225 N SER A 75 1.223 -15.803 2.848 1.00 0.00 N ATOM 1226 CA SER A 75 2.218 -14.762 3.261 1.00 0.00 C ATOM 1227 C SER A 75 2.761 -14.014 2.030 1.00 0.00 C ATOM 1228 O SER A 75 3.667 -13.210 2.146 1.00 0.00 O ATOM 1229 CB SER A 75 3.385 -15.410 4.019 1.00 0.00 C ATOM 1230 OG SER A 75 2.879 -16.410 4.895 1.00 0.00 O ATOM 0 H SER A 75 0.259 -15.598 3.111 1.00 0.00 H new ATOM 0 HA SER A 75 1.713 -14.052 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.091 -15.850 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.929 -14.655 4.586 1.00 0.00 H new ATOM 0 HG SER A 75 3.622 -16.827 5.379 1.00 0.00 H new ATOM 1236 N MET A 76 2.213 -14.254 0.854 1.00 0.00 N ATOM 1237 CA MET A 76 2.692 -13.545 -0.378 1.00 0.00 C ATOM 1238 C MET A 76 4.220 -13.620 -0.496 1.00 0.00 C ATOM 1239 O MET A 76 4.845 -12.746 -1.068 1.00 0.00 O ATOM 1240 CB MET A 76 2.263 -12.078 -0.310 1.00 0.00 C ATOM 1241 CG MET A 76 0.737 -11.997 -0.228 1.00 0.00 C ATOM 1242 SD MET A 76 0.175 -10.447 -0.974 1.00 0.00 S ATOM 1243 CE MET A 76 -0.770 -9.843 0.446 1.00 0.00 C ATOM 0 H MET A 76 1.451 -14.914 0.698 1.00 0.00 H new ATOM 0 HA MET A 76 2.254 -14.029 -1.251 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.711 -11.597 0.560 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.620 -11.542 -1.190 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.289 -12.845 -0.745 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.415 -12.051 0.812 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.214 -8.878 0.203 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.559 -10.555 0.687 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.107 -9.732 1.304 1.00 0.00 H new ATOM 1253 N LEU A 77 4.822 -14.652 0.041 1.00 0.00 N ATOM 1254 CA LEU A 77 6.307 -14.773 -0.040 1.00 0.00 C ATOM 1255 C LEU A 77 6.693 -15.530 -1.318 1.00 0.00 C ATOM 1256 O LEU A 77 7.006 -14.926 -2.327 1.00 0.00 O ATOM 1257 CB LEU A 77 6.836 -15.512 1.196 1.00 0.00 C ATOM 1258 CG LEU A 77 7.394 -14.498 2.197 1.00 0.00 C ATOM 1259 CD1 LEU A 77 7.314 -15.075 3.611 1.00 0.00 C ATOM 1260 CD2 LEU A 77 8.855 -14.197 1.853 1.00 0.00 C ATOM 0 H LEU A 77 4.350 -15.413 0.530 1.00 0.00 H new ATOM 0 HA LEU A 77 6.751 -13.778 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.036 -16.091 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.614 -16.218 0.905 1.00 0.00 H new ATOM 0 HG LEU A 77 6.809 -13.580 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.712 -14.351 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.275 -15.292 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.898 -15.994 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.255 -13.475 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.438 -15.117 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.914 -13.785 0.846 1.00 0.00 H new ATOM 1272 N SER A 78 6.684 -16.845 -1.288 1.00 0.00 N ATOM 1273 CA SER A 78 7.057 -17.635 -2.504 1.00 0.00 C ATOM 1274 C SER A 78 8.447 -17.206 -2.996 1.00 0.00 C ATOM 1275 O SER A 78 8.668 -17.003 -4.175 1.00 0.00 O ATOM 1276 CB SER A 78 6.019 -17.391 -3.601 1.00 0.00 C ATOM 1277 OG SER A 78 5.052 -18.432 -3.571 1.00 0.00 O ATOM 0 H SER A 78 6.434 -17.403 -0.472 1.00 0.00 H new ATOM 0 HA SER A 78 7.082 -18.696 -2.257 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.536 -16.425 -3.452 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.504 -17.358 -4.576 1.00 0.00 H new ATOM 0 HG SER A 78 4.384 -18.278 -4.271 1.00 0.00 H new ATOM 1283 N ASN A 79 9.380 -17.062 -2.088 1.00 0.00 N ATOM 1284 CA ASN A 79 10.762 -16.641 -2.471 1.00 0.00 C ATOM 1285 C ASN A 79 10.713 -15.274 -3.168 1.00 0.00 C ATOM 1286 O ASN A 79 11.110 -15.129 -4.310 1.00 0.00 O ATOM 1287 CB ASN A 79 11.378 -17.687 -3.411 1.00 0.00 C ATOM 1288 CG ASN A 79 11.839 -18.898 -2.597 1.00 0.00 C ATOM 1289 OD1 ASN A 79 11.044 -19.542 -1.940 1.00 0.00 O ATOM 1290 ND2 ASN A 79 13.098 -19.240 -2.618 1.00 0.00 N ATOM 0 H ASN A 79 9.242 -17.220 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 79 11.377 -16.561 -1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.647 -17.995 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.222 -17.255 -3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.416 -20.048 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.764 -18.699 -3.169 1.00 0.00 H new ATOM 1297 N ASN A 80 10.231 -14.271 -2.479 1.00 0.00 N ATOM 1298 CA ASN A 80 10.151 -12.906 -3.082 1.00 0.00 C ATOM 1299 C ASN A 80 10.546 -11.866 -2.029 1.00 0.00 C ATOM 1300 O ASN A 80 11.320 -10.967 -2.290 1.00 0.00 O ATOM 1301 CB ASN A 80 8.721 -12.642 -3.559 1.00 0.00 C ATOM 1302 CG ASN A 80 8.475 -13.393 -4.870 1.00 0.00 C ATOM 1303 OD1 ASN A 80 8.385 -14.605 -4.880 1.00 0.00 O ATOM 1304 ND2 ASN A 80 8.362 -12.722 -5.983 1.00 0.00 N ATOM 0 H ASN A 80 9.888 -14.339 -1.521 1.00 0.00 H new ATOM 0 HA ASN A 80 10.830 -12.838 -3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.008 -12.967 -2.802 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.566 -11.573 -3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.198 -13.215 -6.861 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.437 -11.705 -5.975 1.00 0.00 H new ATOM 1311 N ASP A 81 10.025 -11.996 -0.830 1.00 0.00 N ATOM 1312 CA ASP A 81 10.363 -11.036 0.272 1.00 0.00 C ATOM 1313 C ASP A 81 9.752 -9.654 0.014 1.00 0.00 C ATOM 1314 O ASP A 81 10.023 -8.719 0.744 1.00 0.00 O ATOM 1315 CB ASP A 81 11.887 -10.894 0.396 1.00 0.00 C ATOM 1316 CG ASP A 81 12.251 -10.538 1.837 1.00 0.00 C ATOM 1317 OD1 ASP A 81 11.792 -9.511 2.307 1.00 0.00 O ATOM 1318 OD2 ASP A 81 12.984 -11.300 2.447 1.00 0.00 O ATOM 0 H ASP A 81 9.373 -12.734 -0.565 1.00 0.00 H new ATOM 0 HA ASP A 81 9.948 -11.435 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.374 -11.825 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.247 -10.121 -0.283 1.00 0.00 H new ATOM 1323 N SER A 82 8.929 -9.501 -1.003 1.00 0.00 N ATOM 1324 CA SER A 82 8.310 -8.165 -1.280 1.00 0.00 C ATOM 1325 C SER A 82 7.535 -8.220 -2.598 1.00 0.00 C ATOM 1326 O SER A 82 8.085 -7.987 -3.658 1.00 0.00 O ATOM 1327 CB SER A 82 9.400 -7.091 -1.380 1.00 0.00 C ATOM 1328 OG SER A 82 9.542 -6.453 -0.119 1.00 0.00 O ATOM 0 H SER A 82 8.662 -10.243 -1.650 1.00 0.00 H new ATOM 0 HA SER A 82 7.631 -7.915 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.345 -7.542 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.138 -6.359 -2.144 1.00 0.00 H new ATOM 0 HG SER A 82 9.714 -7.127 0.571 1.00 0.00 H new ATOM 1334 N ARG A 83 6.263 -8.523 -2.536 1.00 0.00 N ATOM 1335 CA ARG A 83 5.443 -8.590 -3.781 1.00 0.00 C ATOM 1336 C ARG A 83 3.969 -8.364 -3.439 1.00 0.00 C ATOM 1337 O ARG A 83 3.250 -9.292 -3.116 1.00 0.00 O ATOM 1338 CB ARG A 83 5.606 -9.967 -4.431 1.00 0.00 C ATOM 1339 CG ARG A 83 5.506 -9.835 -5.958 1.00 0.00 C ATOM 1340 CD ARG A 83 4.667 -10.984 -6.530 1.00 0.00 C ATOM 1341 NE ARG A 83 5.469 -11.729 -7.542 1.00 0.00 N ATOM 1342 CZ ARG A 83 5.328 -11.462 -8.812 1.00 0.00 C ATOM 1343 NH1 ARG A 83 4.235 -11.805 -9.435 1.00 0.00 N ATOM 1344 NH2 ARG A 83 6.282 -10.849 -9.458 1.00 0.00 N ATOM 0 H ARG A 83 5.757 -8.727 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 83 5.779 -7.818 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.569 -10.398 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.837 -10.646 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.054 -8.878 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.503 -9.847 -6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.357 -11.656 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.758 -10.592 -6.987 1.00 0.00 H new ATOM 0 HE ARG A 83 6.128 -12.447 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.489 -12.283 -8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.126 -11.596 -10.427 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.136 -10.579 -8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.173 -10.640 -10.450 1.00 0.00 H new ATOM 1358 N TRP A 84 3.514 -7.139 -3.509 1.00 0.00 N ATOM 1359 CA TRP A 84 2.083 -6.846 -3.192 1.00 0.00 C ATOM 1360 C TRP A 84 1.299 -6.676 -4.493 1.00 0.00 C ATOM 1361 O TRP A 84 1.870 -6.578 -5.563 1.00 0.00 O ATOM 1362 CB TRP A 84 1.988 -5.558 -2.376 1.00 0.00 C ATOM 1363 CG TRP A 84 2.580 -5.785 -1.025 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.885 -6.045 -0.792 1.00 0.00 C ATOM 1365 CD2 TRP A 84 1.921 -5.782 0.274 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.071 -6.200 0.568 1.00 0.00 N ATOM 1367 CE2 TRP A 84 2.891 -6.048 1.269 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.591 -5.577 0.682 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.554 -6.106 2.622 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.248 -5.636 2.044 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.228 -5.900 3.011 1.00 0.00 C ATOM 0 H TRP A 84 4.073 -6.327 -3.773 1.00 0.00 H new ATOM 0 HA TRP A 84 1.667 -7.672 -2.616 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.515 -4.751 -2.886 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.947 -5.249 -2.282 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.656 -6.119 -1.545 1.00 0.00 H new ATOM 0 HE1 TRP A 84 4.972 -6.402 1.002 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.171 -5.373 -0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.313 -6.309 3.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.776 -5.477 2.347 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.958 -5.944 4.056 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.006 -6.634 -4.405 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.839 -6.467 -5.631 1.00 0.00 C ATOM 1384 C GLU A 85 -2.203 -5.888 -5.246 1.00 0.00 C ATOM 1385 O GLU A 85 -3.012 -6.552 -4.624 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.031 -7.827 -6.306 1.00 0.00 C ATOM 1387 CG GLU A 85 -1.370 -7.622 -7.784 1.00 0.00 C ATOM 1388 CD GLU A 85 -1.605 -8.980 -8.447 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -2.392 -9.747 -7.917 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -0.994 -9.230 -9.473 1.00 0.00 O ATOM 0 H GLU A 85 -0.531 -6.709 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.339 -5.788 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.124 -8.424 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.830 -8.380 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.259 -6.999 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.557 -7.097 -8.285 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.462 -4.658 -5.612 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.773 -4.032 -5.273 1.00 0.00 C ATOM 1399 C PHE A 86 -4.786 -4.352 -6.374 1.00 0.00 C ATOM 1400 O PHE A 86 -4.541 -4.108 -7.541 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.607 -2.508 -5.158 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.514 -2.127 -4.160 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.996 -3.058 -3.235 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -2.020 -0.814 -4.163 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.998 -2.672 -2.333 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -1.022 -0.433 -3.259 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.511 -1.361 -2.346 1.00 0.00 C ATOM 0 H PHE A 86 -1.820 -4.060 -6.132 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.127 -4.428 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.365 -2.094 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.552 -2.062 -4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.371 -4.071 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.412 -0.094 -4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.604 -3.387 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.646 0.579 -3.266 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.260 -1.065 -1.650 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.919 -4.897 -6.012 1.00 0.00 N ATOM 1418 CA GLU A 87 -6.951 -5.237 -7.036 1.00 0.00 C ATOM 1419 C GLU A 87 -8.115 -4.249 -6.941 1.00 0.00 C ATOM 1420 O GLU A 87 -8.481 -3.802 -5.868 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.467 -6.657 -6.793 1.00 0.00 C ATOM 1422 CG GLU A 87 -6.381 -7.666 -7.173 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.031 -8.993 -7.571 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -7.546 -9.071 -8.674 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -7.001 -9.910 -6.766 1.00 0.00 O ATOM 0 H GLU A 87 -6.174 -5.121 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.505 -5.177 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.743 -6.781 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.366 -6.835 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.784 -7.279 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.703 -7.819 -6.334 1.00 0.00 H new ATOM 1432 N ASN A 88 -8.697 -3.908 -8.062 1.00 0.00 N ATOM 1433 CA ASN A 88 -9.841 -2.950 -8.060 1.00 0.00 C ATOM 1434 C ASN A 88 -11.117 -3.684 -8.477 1.00 0.00 C ATOM 1435 O ASN A 88 -11.071 -4.663 -9.200 1.00 0.00 O ATOM 1436 CB ASN A 88 -9.555 -1.818 -9.051 1.00 0.00 C ATOM 1437 CG ASN A 88 -10.106 -0.502 -8.500 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -9.848 -0.147 -7.367 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -10.859 0.243 -9.262 1.00 0.00 N ATOM 0 H ASN A 88 -8.427 -4.254 -8.983 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.971 -2.535 -7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.482 -1.732 -9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.013 -2.040 -10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.231 1.124 -8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.075 -0.055 -10.213 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.253 -3.213 -8.033 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.537 -3.871 -8.405 1.00 0.00 C ATOM 1448 C GLU A 89 -14.231 -3.035 -9.481 1.00 0.00 C ATOM 1449 O GLU A 89 -15.170 -2.309 -9.213 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.438 -3.990 -7.171 1.00 0.00 C ATOM 1451 CG GLU A 89 -15.199 -5.318 -7.221 1.00 0.00 C ATOM 1452 CD GLU A 89 -15.565 -5.757 -5.802 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -14.711 -5.666 -4.935 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -16.693 -6.179 -5.606 1.00 0.00 O ATOM 0 H GLU A 89 -12.345 -2.398 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.339 -4.871 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.838 -3.936 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.140 -3.157 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.102 -5.208 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.587 -6.081 -7.701 1.00 0.00 H new ATOM 1461 N ARG A 90 -13.762 -3.131 -10.697 1.00 0.00 N ATOM 1462 CA ARG A 90 -14.371 -2.344 -11.809 1.00 0.00 C ATOM 1463 C ARG A 90 -15.460 -3.167 -12.511 1.00 0.00 C ATOM 1464 O ARG A 90 -15.828 -2.876 -13.634 1.00 0.00 O ATOM 1465 CB ARG A 90 -13.284 -1.981 -12.824 1.00 0.00 C ATOM 1466 CG ARG A 90 -12.370 -0.897 -12.241 1.00 0.00 C ATOM 1467 CD ARG A 90 -12.038 0.133 -13.322 1.00 0.00 C ATOM 1468 NE ARG A 90 -13.173 1.089 -13.460 1.00 0.00 N ATOM 1469 CZ ARG A 90 -13.004 2.348 -13.162 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -12.504 3.166 -14.047 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -13.333 2.789 -11.979 1.00 0.00 N ATOM 0 H ARG A 90 -12.978 -3.725 -10.969 1.00 0.00 H new ATOM 0 HA ARG A 90 -14.819 -1.439 -11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.699 -2.866 -13.076 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.740 -1.626 -13.748 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.860 -0.409 -11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.453 -1.347 -11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.126 0.670 -13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.852 -0.368 -14.272 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.081 0.759 -13.787 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.245 2.821 -14.971 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.372 4.150 -13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.723 2.149 -11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.201 3.773 -11.747 1.00 0.00 H new ATOM 1485 N HIS A 91 -15.981 -4.184 -11.865 1.00 0.00 N ATOM 1486 CA HIS A 91 -17.046 -5.011 -12.502 1.00 0.00 C ATOM 1487 C HIS A 91 -18.074 -5.421 -11.446 1.00 0.00 C ATOM 1488 O HIS A 91 -17.726 -5.801 -10.344 1.00 0.00 O ATOM 1489 CB HIS A 91 -16.422 -6.262 -13.130 1.00 0.00 C ATOM 1490 CG HIS A 91 -15.649 -7.030 -12.090 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -16.036 -8.291 -11.666 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -14.510 -6.730 -11.385 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -15.144 -8.702 -10.745 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -14.194 -7.787 -10.535 1.00 0.00 N ATOM 0 H HIS A 91 -15.712 -4.474 -10.925 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.540 -4.429 -13.280 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.202 -6.893 -13.555 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -15.762 -5.977 -13.949 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.945 -5.814 -11.476 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.191 -9.655 -10.238 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -13.406 -7.849 -9.890 1.00 0.00 H new ATOM 1502 N ALA A 92 -19.340 -5.349 -11.777 1.00 0.00 N ATOM 1503 CA ALA A 92 -20.405 -5.734 -10.801 1.00 0.00 C ATOM 1504 C ALA A 92 -20.314 -4.845 -9.559 1.00 0.00 C ATOM 1505 O ALA A 92 -21.032 -5.113 -8.609 1.00 0.00 O ATOM 1506 CB ALA A 92 -20.222 -7.199 -10.392 1.00 0.00 C ATOM 1507 OXT ALA A 92 -19.528 -3.912 -9.578 1.00 0.00 O ATOM 0 H ALA A 92 -19.682 -5.038 -12.686 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.382 -5.605 -11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -20.999 -7.478 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -20.293 -7.835 -11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -19.243 -7.328 -9.930 1.00 0.00 H new TER 1513 ALA A 92