USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= -3.25! C(o=-2.3!,f=-3!) USER MOD Set 1.2: A 85 THR OG1 : rot -67:sc= 0.94 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 137:sc= 1.22 (180deg=-0.703!) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 23 MET CE :methyl -139:sc= -4.76 (180deg=-1.39) USER MOD Set 3.2: A 34 ASN : amide:sc= -7.2! C(o=-12!,f=-23!) USER MOD Set 4.1: A 9 LYS NZ :NH3+ -177:sc= 0.0655! (180deg=0) USER MOD Set 4.2: A 10 HIS : no HE2:sc= -6.69! C(o=-6.6!,f=-28!) USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.617 USER MOD Single : A 7 GLN : amide:sc= -5.27! C(o=-5.3!,f=-5!) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : A 12 THR OG1 : rot 100:sc= -2.15! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= -1.55! (180deg=-2.34!) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0677) USER MOD Single : A 31 LYS NZ :NH3+ 137:sc= -1.75 (180deg=-2.89!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= -3.39! (180deg=-6!) USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= -0.133 (180deg=-0.926) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 54 ASN : amide:sc= -6.28! K(o=-6.3!,f=-1.2) USER MOD Single : A 55 THR OG1 : rot -55:sc= -0.254 USER MOD Single : A 59 SER OG : rot 122:sc= 1.77 USER MOD Single : A 67 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0913 X(o=-0.091,f=-0.22) USER MOD Single : A 77 TYR OH : rot -87:sc= -1.29 USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.0193 (180deg=-0.271) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.54 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 87 CYS SG : rot 180:sc= -3.22! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 93 GLN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.51) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.477 10.693 -0.889 1.00 1.00 N ATOM 16 CA ASP A 2 -6.776 10.921 -2.330 1.00 1.00 C ATOM 17 C ASP A 2 -6.288 9.711 -3.128 1.00 1.00 C ATOM 18 O ASP A 2 -5.154 9.294 -3.009 1.00 1.00 O ATOM 19 CB ASP A 2 -6.055 12.184 -2.814 1.00 1.00 C ATOM 20 CG ASP A 2 -6.679 12.655 -4.129 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.457 11.905 -4.697 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.370 13.759 -4.546 1.00 1.00 O ATOM 0 HA ASP A 2 -7.849 11.051 -2.471 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -6.130 12.969 -2.062 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -4.994 11.978 -2.956 1.00 1.00 H new ATOM 27 N TRP A 3 -7.138 9.135 -3.934 1.00 1.00 N ATOM 28 CA TRP A 3 -6.721 7.943 -4.724 1.00 1.00 C ATOM 29 C TRP A 3 -5.367 8.219 -5.388 1.00 1.00 C ATOM 30 O TRP A 3 -4.587 7.318 -5.621 1.00 1.00 O ATOM 31 CB TRP A 3 -7.790 7.638 -5.783 1.00 1.00 C ATOM 32 CG TRP A 3 -7.224 6.796 -6.886 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.369 7.062 -8.203 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.444 5.563 -6.803 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.724 6.083 -8.935 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.138 5.137 -8.119 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.973 4.780 -5.731 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.395 3.980 -8.361 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.226 3.616 -5.973 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.936 3.218 -7.284 1.00 1.00 C ATOM 0 H TRP A 3 -8.101 9.438 -4.079 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.618 7.078 -4.068 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.630 7.121 -5.319 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.177 8.570 -6.194 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.903 7.904 -8.617 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.686 6.062 -9.954 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.188 5.077 -4.715 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.177 3.676 -9.374 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.873 3.023 -5.142 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.358 2.323 -7.462 1.00 1.00 H new ATOM 51 N GLU A 4 -5.078 9.455 -5.685 1.00 1.00 N ATOM 52 CA GLU A 4 -3.773 9.777 -6.324 1.00 1.00 C ATOM 53 C GLU A 4 -2.633 9.437 -5.359 1.00 1.00 C ATOM 54 O GLU A 4 -2.011 8.401 -5.464 1.00 1.00 O ATOM 55 CB GLU A 4 -3.725 11.268 -6.666 1.00 1.00 C ATOM 56 CG GLU A 4 -4.617 11.542 -7.878 1.00 1.00 C ATOM 57 CD GLU A 4 -6.072 11.234 -7.522 1.00 1.00 C ATOM 58 OE1 GLU A 4 -6.752 12.135 -7.058 1.00 1.00 O ATOM 59 OE2 GLU A 4 -6.483 10.102 -7.719 1.00 1.00 O ATOM 0 H GLU A 4 -5.688 10.254 -5.513 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.662 9.192 -7.237 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.060 11.859 -5.813 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.700 11.570 -6.880 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.520 12.583 -8.186 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.300 10.929 -8.722 1.00 1.00 H new ATOM 66 N THR A 5 -2.354 10.297 -4.420 1.00 1.00 N ATOM 67 CA THR A 5 -1.252 10.013 -3.456 1.00 1.00 C ATOM 68 C THR A 5 -1.408 8.597 -2.909 1.00 1.00 C ATOM 69 O THR A 5 -0.467 7.830 -2.869 1.00 1.00 O ATOM 70 CB THR A 5 -1.302 11.017 -2.308 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.138 10.874 -1.506 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.550 10.775 -1.457 1.00 1.00 C ATOM 0 H THR A 5 -2.839 11.183 -4.277 1.00 1.00 H new ATOM 0 HA THR A 5 -0.293 10.100 -3.966 1.00 1.00 H new ATOM 0 HB THR A 5 -1.342 12.028 -2.714 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.087 11.617 -0.868 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.578 11.496 -0.640 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.440 10.892 -2.075 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.522 9.765 -1.049 1.00 1.00 H new ATOM 80 N PHE A 6 -2.590 8.238 -2.495 1.00 1.00 N ATOM 81 CA PHE A 6 -2.795 6.866 -1.964 1.00 1.00 C ATOM 82 C PHE A 6 -2.281 5.869 -2.999 1.00 1.00 C ATOM 83 O PHE A 6 -1.898 4.763 -2.678 1.00 1.00 O ATOM 84 CB PHE A 6 -4.287 6.631 -1.711 1.00 1.00 C ATOM 85 CG PHE A 6 -4.523 5.181 -1.354 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.559 4.209 -2.362 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.709 4.809 -0.018 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.782 2.867 -2.033 1.00 1.00 C ATOM 89 CE2 PHE A 6 -4.930 3.467 0.311 1.00 1.00 C ATOM 90 CZ PHE A 6 -4.968 2.496 -0.696 1.00 1.00 C ATOM 0 H PHE A 6 -3.418 8.833 -2.502 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.256 6.740 -1.025 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.634 7.275 -0.903 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.862 6.895 -2.599 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.415 4.495 -3.393 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.682 5.558 0.760 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.811 2.118 -2.810 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.071 3.180 1.343 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.141 1.461 -0.442 1.00 1.00 H new ATOM 100 N GLN A 7 -2.264 6.261 -4.243 1.00 1.00 N ATOM 101 CA GLN A 7 -1.769 5.348 -5.306 1.00 1.00 C ATOM 102 C GLN A 7 -0.263 5.554 -5.488 1.00 1.00 C ATOM 103 O GLN A 7 0.421 4.721 -6.050 1.00 1.00 O ATOM 104 CB GLN A 7 -2.489 5.656 -6.624 1.00 1.00 C ATOM 105 CG GLN A 7 -1.939 4.763 -7.742 1.00 1.00 C ATOM 106 CD GLN A 7 -0.665 5.385 -8.322 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.319 4.703 -8.526 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.644 6.660 -8.598 1.00 1.00 N ATOM 0 H GLN A 7 -2.573 7.177 -4.568 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.966 4.315 -5.020 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.560 5.492 -6.510 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.354 6.705 -6.886 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.724 3.768 -7.353 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.687 4.644 -8.526 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -1.471 7.233 -8.427 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.199 7.084 -8.985 1.00 1.00 H new ATOM 117 N LYS A 8 0.261 6.667 -5.037 1.00 1.00 N ATOM 118 CA LYS A 8 1.721 6.920 -5.215 1.00 1.00 C ATOM 119 C LYS A 8 2.526 6.385 -4.021 1.00 1.00 C ATOM 120 O LYS A 8 3.504 5.685 -4.195 1.00 1.00 O ATOM 121 CB LYS A 8 1.954 8.426 -5.352 1.00 1.00 C ATOM 122 CG LYS A 8 1.005 8.995 -6.413 1.00 1.00 C ATOM 123 CD LYS A 8 1.587 10.290 -6.985 1.00 1.00 C ATOM 124 CE LYS A 8 0.554 10.954 -7.897 1.00 1.00 C ATOM 125 NZ LYS A 8 0.383 10.139 -9.132 1.00 1.00 N ATOM 0 H LYS A 8 -0.255 7.405 -4.558 1.00 1.00 H new ATOM 0 HA LYS A 8 2.057 6.401 -6.113 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.785 8.920 -4.395 1.00 1.00 H new ATOM 0 HB3 LYS A 8 2.989 8.621 -5.632 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.858 8.267 -7.211 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.026 9.188 -5.973 1.00 1.00 H new ATOM 0 HD2 LYS A 8 1.862 10.967 -6.176 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.498 10.076 -7.544 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -0.399 11.048 -7.376 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.877 11.962 -8.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -0.200 10.663 -9.816 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 1.315 9.942 -9.550 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -0.086 9.242 -8.894 1.00 1.00 H new ATOM 139 N LYS A 9 2.153 6.730 -2.817 1.00 1.00 N ATOM 140 CA LYS A 9 2.937 6.257 -1.636 1.00 1.00 C ATOM 141 C LYS A 9 2.480 4.865 -1.170 1.00 1.00 C ATOM 142 O LYS A 9 3.287 3.976 -0.992 1.00 1.00 O ATOM 143 CB LYS A 9 2.781 7.260 -0.485 1.00 1.00 C ATOM 144 CG LYS A 9 1.350 7.802 -0.448 1.00 1.00 C ATOM 145 CD LYS A 9 1.091 8.464 0.910 1.00 1.00 C ATOM 146 CE LYS A 9 -0.376 8.895 1.011 1.00 1.00 C ATOM 147 NZ LYS A 9 -0.771 8.973 2.446 1.00 1.00 N ATOM 0 H LYS A 9 1.346 7.314 -2.600 1.00 1.00 H new ATOM 0 HA LYS A 9 3.983 6.184 -1.934 1.00 1.00 H new ATOM 0 HB2 LYS A 9 3.020 6.777 0.463 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.486 8.082 -0.611 1.00 1.00 H new ATOM 0 HG2 LYS A 9 1.202 8.524 -1.251 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.639 6.993 -0.612 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.331 7.769 1.714 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.742 9.329 1.032 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.516 9.863 0.531 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.013 8.183 0.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.780 9.216 2.516 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -0.604 8.054 2.903 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.205 9.704 2.923 1.00 1.00 H new ATOM 161 N HIS A 10 1.210 4.667 -0.938 1.00 1.00 N ATOM 162 CA HIS A 10 0.741 3.333 -0.447 1.00 1.00 C ATOM 163 C HIS A 10 0.850 2.267 -1.537 1.00 1.00 C ATOM 164 O HIS A 10 0.774 1.097 -1.249 1.00 1.00 O ATOM 165 CB HIS A 10 -0.715 3.432 0.013 1.00 1.00 C ATOM 166 CG HIS A 10 -0.882 4.637 0.897 1.00 1.00 C ATOM 167 ND1 HIS A 10 -2.129 5.084 1.310 1.00 1.00 N ATOM 168 CD2 HIS A 10 0.030 5.498 1.459 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.937 6.169 2.084 1.00 1.00 C ATOM 170 NE2 HIS A 10 -0.640 6.460 2.206 1.00 1.00 N ATOM 0 H HIS A 10 0.478 5.366 -1.066 1.00 1.00 H new ATOM 0 HA HIS A 10 1.380 3.042 0.387 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.376 3.507 -0.851 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -0.999 2.529 0.554 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -3.028 4.666 1.071 1.00 1.00 H new ATOM 0 HD2 HIS A 10 1.102 5.437 1.339 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -2.733 6.733 2.548 1.00 1.00 H new ATOM 179 N LEU A 11 1.016 2.638 -2.778 1.00 1.00 N ATOM 180 CA LEU A 11 1.110 1.596 -3.852 1.00 1.00 C ATOM 181 C LEU A 11 2.441 1.719 -4.594 1.00 1.00 C ATOM 182 O LEU A 11 2.978 2.796 -4.757 1.00 1.00 O ATOM 183 CB LEU A 11 -0.041 1.784 -4.849 1.00 1.00 C ATOM 184 CG LEU A 11 -1.215 0.879 -4.470 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.768 1.291 -3.102 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.315 1.009 -5.524 1.00 1.00 C ATOM 0 H LEU A 11 1.090 3.604 -3.096 1.00 1.00 H new ATOM 0 HA LEU A 11 1.047 0.610 -3.392 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.361 2.826 -4.855 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.299 1.549 -5.858 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.873 -0.155 -4.422 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.604 0.643 -2.837 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.985 1.198 -2.350 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.110 2.325 -3.144 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.153 0.365 -5.257 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.653 2.044 -5.571 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.924 0.710 -6.497 1.00 1.00 H new ATOM 198 N THR A 12 2.963 0.614 -5.063 1.00 1.00 N ATOM 199 CA THR A 12 4.252 0.652 -5.820 1.00 1.00 C ATOM 200 C THR A 12 4.103 -0.177 -7.096 1.00 1.00 C ATOM 201 O THR A 12 3.014 -0.578 -7.459 1.00 1.00 O ATOM 202 CB THR A 12 5.388 0.082 -4.967 1.00 1.00 C ATOM 203 OG1 THR A 12 6.518 -0.143 -5.796 1.00 1.00 O ATOM 204 CG2 THR A 12 4.958 -1.240 -4.319 1.00 1.00 C ATOM 0 H THR A 12 2.552 -0.313 -4.955 1.00 1.00 H new ATOM 0 HA THR A 12 4.491 1.685 -6.072 1.00 1.00 H new ATOM 0 HB THR A 12 5.636 0.793 -4.179 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.154 0.595 -5.690 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.777 -1.633 -3.716 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.089 -1.068 -3.684 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.702 -1.960 -5.096 1.00 1.00 H new ATOM 212 N ASP A 13 5.183 -0.425 -7.791 1.00 1.00 N ATOM 213 CA ASP A 13 5.096 -1.216 -9.055 1.00 1.00 C ATOM 214 C ASP A 13 5.948 -2.486 -8.962 1.00 1.00 C ATOM 215 O ASP A 13 6.218 -3.123 -9.960 1.00 1.00 O ATOM 216 CB ASP A 13 5.602 -0.360 -10.218 1.00 1.00 C ATOM 217 CG ASP A 13 4.911 1.005 -10.185 1.00 1.00 C ATOM 218 OD1 ASP A 13 3.719 1.037 -9.927 1.00 1.00 O ATOM 219 OD2 ASP A 13 5.585 1.994 -10.419 1.00 1.00 O ATOM 0 H ASP A 13 6.121 -0.114 -7.538 1.00 1.00 H new ATOM 0 HA ASP A 13 4.057 -1.502 -9.217 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.682 -0.234 -10.148 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.400 -0.859 -11.166 1.00 1.00 H new ATOM 224 N THR A 14 6.383 -2.871 -7.788 1.00 1.00 N ATOM 225 CA THR A 14 7.217 -4.106 -7.694 1.00 1.00 C ATOM 226 C THR A 14 7.013 -4.784 -6.338 1.00 1.00 C ATOM 227 O THR A 14 6.704 -4.147 -5.351 1.00 1.00 O ATOM 228 CB THR A 14 8.691 -3.733 -7.856 1.00 1.00 C ATOM 229 OG1 THR A 14 9.481 -4.913 -7.837 1.00 1.00 O ATOM 230 CG2 THR A 14 9.112 -2.816 -6.709 1.00 1.00 C ATOM 0 H THR A 14 6.201 -2.393 -6.906 1.00 1.00 H new ATOM 0 HA THR A 14 6.918 -4.796 -8.483 1.00 1.00 H new ATOM 0 HB THR A 14 8.835 -3.216 -8.805 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.426 -4.676 -7.942 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.163 -2.549 -6.823 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.504 -1.911 -6.725 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.970 -3.332 -5.760 1.00 1.00 H new ATOM 238 N LYS A 15 7.196 -6.077 -6.285 1.00 1.00 N ATOM 239 CA LYS A 15 7.029 -6.805 -4.997 1.00 1.00 C ATOM 240 C LYS A 15 8.240 -6.525 -4.109 1.00 1.00 C ATOM 241 O LYS A 15 8.222 -6.763 -2.918 1.00 1.00 O ATOM 242 CB LYS A 15 6.931 -8.308 -5.270 1.00 1.00 C ATOM 243 CG LYS A 15 5.702 -8.591 -6.137 1.00 1.00 C ATOM 244 CD LYS A 15 5.802 -10.003 -6.720 1.00 1.00 C ATOM 245 CE LYS A 15 4.574 -10.285 -7.587 1.00 1.00 C ATOM 246 NZ LYS A 15 4.654 -9.481 -8.839 1.00 1.00 N ATOM 0 H LYS A 15 7.454 -6.660 -7.081 1.00 1.00 H new ATOM 0 HA LYS A 15 6.120 -6.470 -4.497 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.833 -8.656 -5.774 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.860 -8.855 -4.330 1.00 1.00 H new ATOM 0 HG2 LYS A 15 4.794 -8.495 -5.542 1.00 1.00 H new ATOM 0 HG3 LYS A 15 5.634 -7.858 -6.941 1.00 1.00 H new ATOM 0 HD2 LYS A 15 6.710 -10.099 -7.315 1.00 1.00 H new ATOM 0 HD3 LYS A 15 5.869 -10.736 -5.916 1.00 1.00 H new ATOM 0 HE2 LYS A 15 4.521 -11.347 -7.827 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.665 -10.036 -7.040 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.375 -10.071 -9.649 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 4.014 -8.664 -8.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 5.629 -9.146 -8.975 1.00 1.00 H new ATOM 260 N LYS A 16 9.296 -6.013 -4.688 1.00 1.00 N ATOM 261 CA LYS A 16 10.522 -5.699 -3.898 1.00 1.00 C ATOM 262 C LYS A 16 10.843 -4.213 -4.063 1.00 1.00 C ATOM 263 O LYS A 16 11.836 -3.842 -4.656 1.00 1.00 O ATOM 264 CB LYS A 16 11.697 -6.535 -4.418 1.00 1.00 C ATOM 265 CG LYS A 16 11.330 -8.028 -4.382 1.00 1.00 C ATOM 266 CD LYS A 16 10.760 -8.461 -5.741 1.00 1.00 C ATOM 267 CE LYS A 16 11.904 -8.837 -6.687 1.00 1.00 C ATOM 268 NZ LYS A 16 11.341 -9.288 -7.991 1.00 1.00 N ATOM 0 H LYS A 16 9.361 -5.798 -5.683 1.00 1.00 H new ATOM 0 HA LYS A 16 10.355 -5.932 -2.846 1.00 1.00 H new ATOM 0 HB2 LYS A 16 11.945 -6.236 -5.437 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.582 -6.354 -3.808 1.00 1.00 H new ATOM 0 HG2 LYS A 16 12.212 -8.622 -4.142 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.598 -8.212 -3.596 1.00 1.00 H new ATOM 0 HD2 LYS A 16 10.090 -9.311 -5.611 1.00 1.00 H new ATOM 0 HD3 LYS A 16 10.170 -7.653 -6.172 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.561 -7.981 -6.839 1.00 1.00 H new ATOM 0 HE3 LYS A 16 12.509 -9.629 -6.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 12.117 -9.544 -8.634 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 10.731 -10.116 -7.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 10.781 -8.519 -8.412 1.00 1.00 H new ATOM 282 N VAL A 17 9.999 -3.359 -3.551 1.00 1.00 N ATOM 283 CA VAL A 17 10.243 -1.895 -3.686 1.00 1.00 C ATOM 284 C VAL A 17 11.642 -1.553 -3.219 1.00 1.00 C ATOM 285 O VAL A 17 12.299 -2.324 -2.548 1.00 1.00 O ATOM 286 CB VAL A 17 9.252 -1.118 -2.820 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.838 -1.332 -3.348 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.351 -1.599 -1.363 1.00 1.00 C ATOM 0 H VAL A 17 9.151 -3.612 -3.045 1.00 1.00 H new ATOM 0 HA VAL A 17 10.121 -1.626 -4.735 1.00 1.00 H new ATOM 0 HB VAL A 17 9.489 -0.055 -2.858 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.131 -0.778 -2.730 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.776 -0.978 -4.377 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.594 -2.394 -3.315 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.643 -1.043 -0.748 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.117 -2.663 -1.314 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.363 -1.432 -0.993 1.00 1.00 H new ATOM 298 N LYS A 18 12.088 -0.378 -3.548 1.00 1.00 N ATOM 299 CA LYS A 18 13.433 0.053 -3.105 1.00 1.00 C ATOM 300 C LYS A 18 13.259 0.879 -1.837 1.00 1.00 C ATOM 301 O LYS A 18 13.508 2.066 -1.815 1.00 1.00 O ATOM 302 CB LYS A 18 14.099 0.893 -4.199 1.00 1.00 C ATOM 303 CG LYS A 18 13.045 1.763 -4.887 1.00 1.00 C ATOM 304 CD LYS A 18 13.734 2.777 -5.804 1.00 1.00 C ATOM 305 CE LYS A 18 14.617 2.043 -6.815 1.00 1.00 C ATOM 306 NZ LYS A 18 13.926 0.805 -7.275 1.00 1.00 N ATOM 0 H LYS A 18 11.575 0.304 -4.107 1.00 1.00 H new ATOM 0 HA LYS A 18 14.068 -0.811 -2.909 1.00 1.00 H new ATOM 0 HB2 LYS A 18 14.878 1.521 -3.767 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.582 0.243 -4.928 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.365 1.138 -5.466 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.444 2.282 -4.141 1.00 1.00 H new ATOM 0 HD2 LYS A 18 12.987 3.375 -6.326 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.337 3.465 -5.212 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.829 2.691 -7.666 1.00 1.00 H new ATOM 0 HE3 LYS A 18 15.575 1.790 -6.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.315 0.511 -8.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 14.072 0.047 -6.578 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 12.908 0.992 -7.375 1.00 1.00 H new ATOM 320 N CYS A 19 12.804 0.248 -0.789 1.00 1.00 N ATOM 321 CA CYS A 19 12.570 0.961 0.498 1.00 1.00 C ATOM 322 C CYS A 19 13.592 2.089 0.688 1.00 1.00 C ATOM 323 O CYS A 19 13.271 3.159 1.171 1.00 1.00 O ATOM 324 CB CYS A 19 12.710 -0.035 1.650 1.00 1.00 C ATOM 325 SG CYS A 19 11.298 -1.163 1.642 1.00 1.00 S ATOM 0 H CYS A 19 12.581 -0.747 -0.771 1.00 1.00 H new ATOM 0 HA CYS A 19 11.569 1.393 0.483 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.639 -0.596 1.549 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.760 0.496 2.601 1.00 1.00 H new ATOM 330 N ASP A 20 14.822 1.852 0.316 1.00 1.00 N ATOM 331 CA ASP A 20 15.873 2.897 0.481 1.00 1.00 C ATOM 332 C ASP A 20 15.346 4.242 -0.013 1.00 1.00 C ATOM 333 O ASP A 20 15.560 5.269 0.601 1.00 1.00 O ATOM 334 CB ASP A 20 17.110 2.505 -0.330 1.00 1.00 C ATOM 335 CG ASP A 20 18.145 3.630 -0.262 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.637 3.889 0.824 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.427 4.212 -1.295 1.00 1.00 O ATOM 0 H ASP A 20 15.144 0.977 -0.096 1.00 1.00 H new ATOM 0 HA ASP A 20 16.137 2.980 1.535 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.536 1.581 0.061 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.832 2.314 -1.367 1.00 1.00 H new ATOM 342 N VAL A 21 14.649 4.242 -1.113 1.00 1.00 N ATOM 343 CA VAL A 21 14.096 5.515 -1.654 1.00 1.00 C ATOM 344 C VAL A 21 12.600 5.579 -1.337 1.00 1.00 C ATOM 345 O VAL A 21 12.062 6.628 -1.054 1.00 1.00 O ATOM 346 CB VAL A 21 14.309 5.548 -3.171 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.273 6.996 -3.697 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.666 4.915 -3.499 1.00 1.00 C ATOM 0 H VAL A 21 14.437 3.411 -1.664 1.00 1.00 H new ATOM 0 HA VAL A 21 14.600 6.369 -1.201 1.00 1.00 H new ATOM 0 HB VAL A 21 13.508 4.988 -3.653 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.426 6.995 -4.776 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.305 7.442 -3.468 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.062 7.576 -3.219 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.825 4.934 -4.577 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.459 5.477 -3.005 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.680 3.883 -3.149 1.00 1.00 H new ATOM 358 N GLU A 22 11.926 4.460 -1.363 1.00 1.00 N ATOM 359 CA GLU A 22 10.471 4.469 -1.048 1.00 1.00 C ATOM 360 C GLU A 22 10.271 5.110 0.328 1.00 1.00 C ATOM 361 O GLU A 22 9.161 5.338 0.767 1.00 1.00 O ATOM 362 CB GLU A 22 9.934 3.030 -1.040 1.00 1.00 C ATOM 363 CG GLU A 22 8.614 2.970 -1.816 1.00 1.00 C ATOM 364 CD GLU A 22 7.903 1.654 -1.508 1.00 1.00 C ATOM 365 OE1 GLU A 22 8.514 0.812 -0.874 1.00 1.00 O ATOM 366 OE2 GLU A 22 6.760 1.510 -1.911 1.00 1.00 O ATOM 0 H GLU A 22 12.319 3.546 -1.588 1.00 1.00 H new ATOM 0 HA GLU A 22 9.930 5.040 -1.802 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.663 2.356 -1.490 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.780 2.694 -0.015 1.00 1.00 H new ATOM 0 HG2 GLU A 22 7.979 3.812 -1.541 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.805 3.051 -2.886 1.00 1.00 H new ATOM 373 N MET A 23 11.350 5.400 1.006 1.00 1.00 N ATOM 374 CA MET A 23 11.254 6.029 2.357 1.00 1.00 C ATOM 375 C MET A 23 12.177 7.248 2.418 1.00 1.00 C ATOM 376 O MET A 23 11.810 8.290 2.922 1.00 1.00 O ATOM 377 CB MET A 23 11.687 5.020 3.421 1.00 1.00 C ATOM 378 CG MET A 23 10.824 3.764 3.317 1.00 1.00 C ATOM 379 SD MET A 23 11.454 2.511 4.460 1.00 1.00 S ATOM 380 CE MET A 23 10.585 3.079 5.943 1.00 1.00 C ATOM 0 H MET A 23 12.301 5.227 0.680 1.00 1.00 H new ATOM 0 HA MET A 23 10.225 6.337 2.540 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.738 4.764 3.287 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.590 5.459 4.414 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.787 4.001 3.554 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.839 3.382 2.296 1.00 1.00 H new ATOM 0 HE1 MET A 23 11.253 3.019 6.802 1.00 1.00 H new ATOM 0 HE2 MET A 23 10.265 4.112 5.804 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.713 2.449 6.117 1.00 1.00 H new ATOM 390 N ALA A 24 13.375 7.128 1.914 1.00 1.00 N ATOM 391 CA ALA A 24 14.309 8.286 1.951 1.00 1.00 C ATOM 392 C ALA A 24 13.876 9.319 0.908 1.00 1.00 C ATOM 393 O ALA A 24 14.526 10.325 0.707 1.00 1.00 O ATOM 394 CB ALA A 24 15.729 7.807 1.648 1.00 1.00 C ATOM 0 H ALA A 24 13.745 6.282 1.480 1.00 1.00 H new ATOM 0 HA ALA A 24 14.289 8.742 2.941 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.413 8.655 1.675 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.032 7.073 2.394 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.756 7.351 0.658 1.00 1.00 H new ATOM 400 N LYS A 25 12.777 9.076 0.244 1.00 1.00 N ATOM 401 CA LYS A 25 12.292 10.041 -0.784 1.00 1.00 C ATOM 402 C LYS A 25 12.106 11.418 -0.138 1.00 1.00 C ATOM 403 O LYS A 25 12.624 11.690 0.928 1.00 1.00 O ATOM 404 CB LYS A 25 10.947 9.552 -1.341 1.00 1.00 C ATOM 405 CG LYS A 25 11.179 8.683 -2.589 1.00 1.00 C ATOM 406 CD LYS A 25 10.142 7.553 -2.647 1.00 1.00 C ATOM 407 CE LYS A 25 8.879 8.046 -3.357 1.00 1.00 C ATOM 408 NZ LYS A 25 9.108 8.050 -4.829 1.00 1.00 N ATOM 0 H LYS A 25 12.194 8.249 0.370 1.00 1.00 H new ATOM 0 HA LYS A 25 13.019 10.113 -1.593 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.417 8.978 -0.581 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.317 10.405 -1.594 1.00 1.00 H new ATOM 0 HG2 LYS A 25 11.109 9.297 -3.487 1.00 1.00 H new ATOM 0 HG3 LYS A 25 12.185 8.263 -2.567 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.556 6.694 -3.175 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.897 7.219 -1.639 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.035 7.401 -3.111 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.624 9.049 -3.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 8.195 8.118 -5.322 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 9.702 8.864 -5.086 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 9.588 7.170 -5.108 1.00 1.00 H new ATOM 422 N ALA A 26 11.364 12.286 -0.774 1.00 1.00 N ATOM 423 CA ALA A 26 11.133 13.642 -0.201 1.00 1.00 C ATOM 424 C ALA A 26 9.751 13.692 0.457 1.00 1.00 C ATOM 425 O ALA A 26 9.460 14.574 1.240 1.00 1.00 O ATOM 426 CB ALA A 26 11.199 14.684 -1.320 1.00 1.00 C ATOM 0 H ALA A 26 10.907 12.112 -1.669 1.00 1.00 H new ATOM 0 HA ALA A 26 11.899 13.856 0.545 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.030 15.677 -0.903 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.181 14.650 -1.791 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.432 14.468 -2.064 1.00 1.00 H new ATOM 432 N LEU A 27 8.892 12.752 0.146 1.00 1.00 N ATOM 433 CA LEU A 27 7.529 12.757 0.759 1.00 1.00 C ATOM 434 C LEU A 27 7.520 11.858 1.998 1.00 1.00 C ATOM 435 O LEU A 27 6.530 11.758 2.695 1.00 1.00 O ATOM 436 CB LEU A 27 6.497 12.257 -0.263 1.00 1.00 C ATOM 437 CG LEU A 27 6.646 10.738 -0.488 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.571 9.976 0.300 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.479 10.420 -1.979 1.00 1.00 C ATOM 0 H LEU A 27 9.075 11.986 -0.502 1.00 1.00 H new ATOM 0 HA LEU A 27 7.269 13.774 1.054 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.490 12.481 0.090 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.628 12.784 -1.208 1.00 1.00 H new ATOM 0 HG LEU A 27 7.635 10.431 -0.146 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.687 8.905 0.132 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.679 10.191 1.363 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.583 10.290 -0.035 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.585 9.347 -2.136 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.491 10.740 -2.311 1.00 1.00 H new ATOM 0 HD23 LEU A 27 7.242 10.947 -2.551 1.00 1.00 H new ATOM 451 N PHE A 28 8.622 11.212 2.283 1.00 1.00 N ATOM 452 CA PHE A 28 8.691 10.322 3.483 1.00 1.00 C ATOM 453 C PHE A 28 9.736 10.873 4.461 1.00 1.00 C ATOM 454 O PHE A 28 9.506 10.942 5.650 1.00 1.00 O ATOM 455 CB PHE A 28 9.100 8.908 3.050 1.00 1.00 C ATOM 456 CG PHE A 28 7.877 8.096 2.677 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.878 7.854 3.629 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.749 7.577 1.382 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.753 7.095 3.286 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.624 6.817 1.041 1.00 1.00 C ATOM 461 CZ PHE A 28 5.626 6.577 1.992 1.00 1.00 C ATOM 0 H PHE A 28 9.480 11.262 1.734 1.00 1.00 H new ATOM 0 HA PHE A 28 7.715 10.287 3.967 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.781 8.963 2.200 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.639 8.415 3.859 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.976 8.253 4.628 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.518 7.763 0.647 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.983 6.909 4.020 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.526 6.416 0.043 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.758 5.992 1.727 1.00 1.00 H new ATOM 471 N ASP A 29 10.880 11.264 3.966 1.00 1.00 N ATOM 472 CA ASP A 29 11.950 11.813 4.857 1.00 1.00 C ATOM 473 C ASP A 29 12.665 10.665 5.580 1.00 1.00 C ATOM 474 O ASP A 29 13.024 10.775 6.735 1.00 1.00 O ATOM 475 CB ASP A 29 11.343 12.775 5.886 1.00 1.00 C ATOM 476 CG ASP A 29 10.184 13.548 5.250 1.00 1.00 C ATOM 477 OD1 ASP A 29 10.260 13.817 4.063 1.00 1.00 O ATOM 478 OD2 ASP A 29 9.244 13.856 5.962 1.00 1.00 O ATOM 0 H ASP A 29 11.123 11.227 2.976 1.00 1.00 H new ATOM 0 HA ASP A 29 12.670 12.358 4.246 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.989 12.218 6.754 1.00 1.00 H new ATOM 0 HB3 ASP A 29 12.104 13.470 6.242 1.00 1.00 H new ATOM 483 N CYS A 30 12.885 9.569 4.904 1.00 1.00 N ATOM 484 CA CYS A 30 13.590 8.418 5.540 1.00 1.00 C ATOM 485 C CYS A 30 12.913 8.042 6.864 1.00 1.00 C ATOM 486 O CYS A 30 13.480 8.204 7.927 1.00 1.00 O ATOM 487 CB CYS A 30 15.049 8.804 5.808 1.00 1.00 C ATOM 488 SG CYS A 30 15.893 7.448 6.662 1.00 1.00 S ATOM 0 H CYS A 30 12.605 9.421 3.934 1.00 1.00 H new ATOM 0 HA CYS A 30 13.548 7.562 4.867 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.555 9.026 4.868 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.090 9.709 6.413 1.00 1.00 H new ATOM 493 N LYS A 31 11.709 7.536 6.812 1.00 1.00 N ATOM 494 CA LYS A 31 11.010 7.148 8.072 1.00 1.00 C ATOM 495 C LYS A 31 11.720 5.945 8.700 1.00 1.00 C ATOM 496 O LYS A 31 12.932 5.864 8.720 1.00 1.00 O ATOM 497 CB LYS A 31 9.560 6.754 7.766 1.00 1.00 C ATOM 498 CG LYS A 31 8.889 7.810 6.881 1.00 1.00 C ATOM 499 CD LYS A 31 8.645 9.106 7.666 1.00 1.00 C ATOM 500 CE LYS A 31 7.780 8.829 8.904 1.00 1.00 C ATOM 501 NZ LYS A 31 8.659 8.532 10.070 1.00 1.00 N ATOM 0 H LYS A 31 11.181 7.375 5.954 1.00 1.00 H new ATOM 0 HA LYS A 31 11.025 7.995 8.758 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.538 5.786 7.266 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.003 6.645 8.697 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.517 8.017 6.015 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.942 7.425 6.503 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.598 9.539 7.970 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.152 9.838 7.027 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.150 9.692 9.121 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.114 7.988 8.714 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.299 9.026 10.911 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.666 7.507 10.247 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 9.626 8.855 9.866 1.00 1.00 H new ATOM 515 N LYS A 32 10.965 5.008 9.210 1.00 1.00 N ATOM 516 CA LYS A 32 11.574 3.798 9.838 1.00 1.00 C ATOM 517 C LYS A 32 10.738 2.565 9.470 1.00 1.00 C ATOM 518 O LYS A 32 11.253 1.477 9.318 1.00 1.00 O ATOM 519 CB LYS A 32 11.589 3.966 11.359 1.00 1.00 C ATOM 520 CG LYS A 32 10.152 4.042 11.880 1.00 1.00 C ATOM 521 CD LYS A 32 10.159 4.502 13.339 1.00 1.00 C ATOM 522 CE LYS A 32 10.876 3.461 14.203 1.00 1.00 C ATOM 523 NZ LYS A 32 10.508 3.665 15.632 1.00 1.00 N ATOM 0 H LYS A 32 9.945 5.029 9.219 1.00 1.00 H new ATOM 0 HA LYS A 32 12.595 3.672 9.477 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.111 3.129 11.823 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.133 4.871 11.630 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.570 4.735 11.272 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.673 3.067 11.798 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.659 5.467 13.424 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.137 4.641 13.692 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.600 2.456 13.885 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.955 3.550 14.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.994 2.958 16.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.793 4.620 15.931 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.479 3.560 15.744 1.00 1.00 H new ATOM 537 N THR A 33 9.451 2.734 9.321 1.00 1.00 N ATOM 538 CA THR A 33 8.573 1.582 8.956 1.00 1.00 C ATOM 539 C THR A 33 7.583 2.037 7.883 1.00 1.00 C ATOM 540 O THR A 33 6.908 3.036 8.037 1.00 1.00 O ATOM 541 CB THR A 33 7.805 1.111 10.194 1.00 1.00 C ATOM 542 OG1 THR A 33 8.715 0.922 11.269 1.00 1.00 O ATOM 543 CG2 THR A 33 7.096 -0.209 9.885 1.00 1.00 C ATOM 0 H THR A 33 8.967 3.624 9.437 1.00 1.00 H new ATOM 0 HA THR A 33 9.179 0.760 8.576 1.00 1.00 H new ATOM 0 HB THR A 33 7.065 1.862 10.471 1.00 1.00 H new ATOM 0 HG1 THR A 33 8.225 0.622 12.063 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.550 -0.544 10.767 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.399 -0.063 9.060 1.00 1.00 H new ATOM 0 HG23 THR A 33 7.834 -0.962 9.608 1.00 1.00 H new ATOM 551 N ASN A 34 7.494 1.320 6.793 1.00 1.00 N ATOM 552 CA ASN A 34 6.551 1.727 5.710 1.00 1.00 C ATOM 553 C ASN A 34 5.873 0.494 5.109 1.00 1.00 C ATOM 554 O ASN A 34 6.411 -0.595 5.121 1.00 1.00 O ATOM 555 CB ASN A 34 7.325 2.458 4.611 1.00 1.00 C ATOM 556 CG ASN A 34 7.675 3.872 5.081 1.00 1.00 C ATOM 557 OD1 ASN A 34 7.987 4.082 6.236 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.637 4.858 4.227 1.00 1.00 N ATOM 0 H ASN A 34 8.031 0.473 6.607 1.00 1.00 H new ATOM 0 HA ASN A 34 5.791 2.385 6.132 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.235 1.910 4.367 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.727 2.504 3.701 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.869 5.804 4.530 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.375 4.683 3.257 1.00 1.00 H new ATOM 565 N THR A 35 4.693 0.669 4.579 1.00 1.00 N ATOM 566 CA THR A 35 3.956 -0.473 3.964 1.00 1.00 C ATOM 567 C THR A 35 3.361 -0.018 2.629 1.00 1.00 C ATOM 568 O THR A 35 3.094 1.150 2.427 1.00 1.00 O ATOM 569 CB THR A 35 2.831 -0.917 4.904 1.00 1.00 C ATOM 570 OG1 THR A 35 3.393 -1.546 6.047 1.00 1.00 O ATOM 571 CG2 THR A 35 1.908 -1.901 4.181 1.00 1.00 C ATOM 0 H THR A 35 4.203 1.563 4.545 1.00 1.00 H new ATOM 0 HA THR A 35 4.636 -1.308 3.798 1.00 1.00 H new ATOM 0 HB THR A 35 2.254 -0.045 5.212 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.675 -1.829 6.651 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.110 -2.213 4.855 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.475 -1.418 3.305 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.481 -2.774 3.868 1.00 1.00 H new ATOM 579 N PHE A 36 3.141 -0.927 1.717 1.00 1.00 N ATOM 580 CA PHE A 36 2.553 -0.531 0.401 1.00 1.00 C ATOM 581 C PHE A 36 1.790 -1.722 -0.181 1.00 1.00 C ATOM 582 O PHE A 36 1.799 -2.794 0.381 1.00 1.00 O ATOM 583 CB PHE A 36 3.657 -0.118 -0.583 1.00 1.00 C ATOM 584 CG PHE A 36 4.877 0.369 0.159 1.00 1.00 C ATOM 585 CD1 PHE A 36 4.967 1.704 0.562 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.930 -0.513 0.419 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.110 2.155 1.229 1.00 1.00 C ATOM 588 CE2 PHE A 36 7.071 -0.064 1.080 1.00 1.00 C ATOM 589 CZ PHE A 36 7.164 1.270 1.486 1.00 1.00 C ATOM 0 H PHE A 36 3.341 -1.921 1.824 1.00 1.00 H new ATOM 0 HA PHE A 36 1.883 0.315 0.555 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.924 -0.965 -1.215 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.288 0.668 -1.242 1.00 1.00 H new ATOM 0 HD1 PHE A 36 4.155 2.386 0.359 1.00 1.00 H new ATOM 0 HD2 PHE A 36 5.859 -1.544 0.107 1.00 1.00 H new ATOM 0 HE1 PHE A 36 6.180 3.185 1.546 1.00 1.00 H new ATOM 0 HE2 PHE A 36 7.884 -0.747 1.279 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.049 1.618 1.998 1.00 1.00 H new ATOM 599 N ILE A 37 1.128 -1.540 -1.298 1.00 1.00 N ATOM 600 CA ILE A 37 0.360 -2.661 -1.913 1.00 1.00 C ATOM 601 C ILE A 37 0.840 -2.890 -3.349 1.00 1.00 C ATOM 602 O ILE A 37 1.041 -1.955 -4.108 1.00 1.00 O ATOM 603 CB ILE A 37 -1.131 -2.302 -1.919 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.593 -1.965 -0.482 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.936 -3.492 -2.450 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.590 -0.799 -0.499 1.00 1.00 C ATOM 0 H ILE A 37 1.088 -0.659 -1.810 1.00 1.00 H new ATOM 0 HA ILE A 37 0.517 -3.572 -1.336 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.293 -1.435 -2.560 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -2.056 -2.841 -0.028 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.731 -1.705 0.132 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.997 -3.240 -2.456 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.613 -3.726 -3.464 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.772 -4.358 -1.808 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.905 -0.575 0.520 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.114 0.080 -0.934 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.460 -1.073 -1.096 1.00 1.00 H new ATOM 618 N TYR A 38 1.027 -4.132 -3.731 1.00 1.00 N ATOM 619 CA TYR A 38 1.490 -4.422 -5.123 1.00 1.00 C ATOM 620 C TYR A 38 0.274 -4.691 -6.013 1.00 1.00 C ATOM 621 O TYR A 38 -0.292 -5.766 -5.998 1.00 1.00 O ATOM 622 CB TYR A 38 2.395 -5.656 -5.123 1.00 1.00 C ATOM 623 CG TYR A 38 2.801 -5.985 -6.541 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.642 -5.117 -7.246 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.336 -7.159 -7.149 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.018 -5.422 -8.560 1.00 1.00 C ATOM 627 CE2 TYR A 38 2.713 -7.462 -8.462 1.00 1.00 C ATOM 628 CZ TYR A 38 3.554 -6.594 -9.167 1.00 1.00 C ATOM 629 OH TYR A 38 3.925 -6.893 -10.462 1.00 1.00 O ATOM 0 H TYR A 38 0.880 -4.952 -3.142 1.00 1.00 H new ATOM 0 HA TYR A 38 2.047 -3.566 -5.503 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.280 -5.471 -4.514 1.00 1.00 H new ATOM 0 HB3 TYR A 38 1.873 -6.503 -4.677 1.00 1.00 H new ATOM 0 HD1 TYR A 38 4.001 -4.213 -6.777 1.00 1.00 H new ATOM 0 HD2 TYR A 38 1.687 -7.829 -6.605 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.667 -4.752 -9.105 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.355 -8.366 -8.931 1.00 1.00 H new ATOM 0 HH TYR A 38 3.517 -7.742 -10.731 1.00 1.00 H new ATOM 639 N ALA A 39 -0.134 -3.723 -6.788 1.00 1.00 N ATOM 640 CA ALA A 39 -1.313 -3.927 -7.677 1.00 1.00 C ATOM 641 C ALA A 39 -1.294 -2.878 -8.791 1.00 1.00 C ATOM 642 O ALA A 39 -0.723 -1.815 -8.645 1.00 1.00 O ATOM 643 CB ALA A 39 -2.598 -3.782 -6.861 1.00 1.00 C ATOM 0 H ALA A 39 0.298 -2.801 -6.844 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.273 -4.925 -8.114 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.460 -3.931 -7.511 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.610 -4.527 -6.066 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.641 -2.784 -6.424 1.00 1.00 H new ATOM 649 N LEU A 40 -1.913 -3.165 -9.905 1.00 1.00 N ATOM 650 CA LEU A 40 -1.925 -2.182 -11.026 1.00 1.00 C ATOM 651 C LEU A 40 -3.168 -1.280 -10.895 1.00 1.00 C ATOM 652 O LEU A 40 -4.214 -1.719 -10.458 1.00 1.00 O ATOM 653 CB LEU A 40 -1.894 -2.949 -12.365 1.00 1.00 C ATOM 654 CG LEU A 40 -3.300 -3.118 -12.960 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.612 -1.930 -13.870 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.350 -4.406 -13.788 1.00 1.00 C ATOM 0 H LEU A 40 -2.410 -4.037 -10.087 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.047 -1.538 -10.991 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.261 -2.416 -13.074 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.444 -3.930 -12.211 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.031 -3.168 -12.153 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.609 -2.048 -14.293 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.570 -1.007 -13.291 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -2.879 -1.886 -14.675 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.347 -4.528 -14.211 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.618 -4.349 -14.594 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.120 -5.259 -13.149 1.00 1.00 H new ATOM 668 N PRO A 41 -3.045 -0.022 -11.246 1.00 1.00 N ATOM 669 CA PRO A 41 -4.160 0.962 -11.144 1.00 1.00 C ATOM 670 C PRO A 41 -5.526 0.375 -11.524 1.00 1.00 C ATOM 671 O PRO A 41 -6.473 0.443 -10.767 1.00 1.00 O ATOM 672 CB PRO A 41 -3.771 2.054 -12.143 1.00 1.00 C ATOM 673 CG PRO A 41 -2.281 1.977 -12.289 1.00 1.00 C ATOM 674 CD PRO A 41 -1.824 0.603 -11.778 1.00 1.00 C ATOM 0 HA PRO A 41 -4.279 1.310 -10.118 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.265 1.898 -13.102 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.077 3.037 -11.784 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -1.993 2.111 -13.332 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.801 2.774 -11.721 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.391 0.006 -12.581 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.061 0.701 -11.006 1.00 1.00 H new ATOM 682 N GLY A 42 -5.636 -0.181 -12.696 1.00 1.00 N ATOM 683 CA GLY A 42 -6.945 -0.749 -13.134 1.00 1.00 C ATOM 684 C GLY A 42 -7.475 -1.736 -12.091 1.00 1.00 C ATOM 685 O GLY A 42 -8.594 -1.628 -11.641 1.00 1.00 O ATOM 0 H GLY A 42 -4.877 -0.268 -13.372 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.666 0.055 -13.282 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.827 -1.253 -14.093 1.00 1.00 H new ATOM 689 N ARG A 43 -6.686 -2.701 -11.713 1.00 1.00 N ATOM 690 CA ARG A 43 -7.148 -3.702 -10.709 1.00 1.00 C ATOM 691 C ARG A 43 -7.443 -3.012 -9.373 1.00 1.00 C ATOM 692 O ARG A 43 -8.253 -3.475 -8.593 1.00 1.00 O ATOM 693 CB ARG A 43 -6.052 -4.751 -10.503 1.00 1.00 C ATOM 694 CG ARG A 43 -5.987 -5.671 -11.724 1.00 1.00 C ATOM 695 CD ARG A 43 -5.022 -6.824 -11.444 1.00 1.00 C ATOM 696 NE ARG A 43 -5.511 -7.608 -10.274 1.00 1.00 N ATOM 697 CZ ARG A 43 -6.466 -8.484 -10.430 1.00 1.00 C ATOM 698 NH1 ARG A 43 -6.991 -8.674 -11.610 1.00 1.00 N ATOM 699 NH2 ARG A 43 -6.894 -9.172 -9.407 1.00 1.00 N ATOM 0 H ARG A 43 -5.736 -2.841 -12.057 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.058 -4.179 -11.073 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.090 -4.262 -10.352 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -6.257 -5.335 -9.606 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.979 -6.061 -11.952 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -5.656 -5.110 -12.598 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -4.944 -7.468 -12.320 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -4.023 -6.436 -11.244 1.00 1.00 H new ATOM 0 HE ARG A 43 -5.100 -7.460 -9.352 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -6.655 -8.138 -12.410 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -7.737 -9.359 -11.732 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -6.482 -9.025 -8.485 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -7.640 -9.857 -9.529 1.00 1.00 H new ATOM 713 N VAL A 44 -6.790 -1.917 -9.096 1.00 1.00 N ATOM 714 CA VAL A 44 -7.030 -1.214 -7.804 1.00 1.00 C ATOM 715 C VAL A 44 -8.341 -0.428 -7.875 1.00 1.00 C ATOM 716 O VAL A 44 -9.242 -0.635 -7.087 1.00 1.00 O ATOM 717 CB VAL A 44 -5.873 -0.255 -7.524 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.142 0.504 -6.221 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.570 -1.054 -7.395 1.00 1.00 C ATOM 0 H VAL A 44 -6.101 -1.479 -9.708 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.097 -1.949 -7.002 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.782 0.457 -8.344 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.317 1.188 -6.021 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.068 1.071 -6.315 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.232 -0.206 -5.399 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.743 -0.372 -7.195 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.659 -1.766 -6.574 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.380 -1.592 -8.323 1.00 1.00 H new ATOM 729 N LYS A 45 -8.456 0.471 -8.812 1.00 1.00 N ATOM 730 CA LYS A 45 -9.712 1.262 -8.929 1.00 1.00 C ATOM 731 C LYS A 45 -10.854 0.325 -9.323 1.00 1.00 C ATOM 732 O LYS A 45 -12.017 0.628 -9.143 1.00 1.00 O ATOM 733 CB LYS A 45 -9.540 2.345 -9.999 1.00 1.00 C ATOM 734 CG LYS A 45 -9.456 1.695 -11.384 1.00 1.00 C ATOM 735 CD LYS A 45 -8.971 2.727 -12.412 1.00 1.00 C ATOM 736 CE LYS A 45 -9.577 2.417 -13.787 1.00 1.00 C ATOM 737 NZ LYS A 45 -9.760 0.945 -13.932 1.00 1.00 N ATOM 0 H LYS A 45 -7.736 0.692 -9.500 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.939 1.737 -7.975 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.378 3.041 -9.964 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.637 2.923 -9.803 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.773 0.846 -11.357 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.433 1.309 -11.675 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -9.257 3.730 -12.096 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -7.883 2.710 -12.472 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -10.535 2.925 -13.896 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -8.925 2.792 -14.576 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -9.349 0.631 -14.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -9.284 0.457 -13.147 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -10.775 0.718 -13.916 1.00 1.00 H new ATOM 751 N ALA A 46 -10.522 -0.814 -9.863 1.00 1.00 N ATOM 752 CA ALA A 46 -11.568 -1.786 -10.280 1.00 1.00 C ATOM 753 C ALA A 46 -12.157 -2.469 -9.045 1.00 1.00 C ATOM 754 O ALA A 46 -13.347 -2.698 -8.961 1.00 1.00 O ATOM 755 CB ALA A 46 -10.934 -2.840 -11.192 1.00 1.00 C ATOM 0 H ALA A 46 -9.563 -1.115 -10.034 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.362 -1.264 -10.814 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.694 -3.557 -11.503 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.513 -2.354 -12.072 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.143 -3.361 -10.652 1.00 1.00 H new ATOM 761 N LEU A 47 -11.335 -2.803 -8.088 1.00 1.00 N ATOM 762 CA LEU A 47 -11.855 -3.478 -6.864 1.00 1.00 C ATOM 763 C LEU A 47 -12.622 -2.470 -6.002 1.00 1.00 C ATOM 764 O LEU A 47 -13.142 -2.809 -4.958 1.00 1.00 O ATOM 765 CB LEU A 47 -10.680 -4.064 -6.064 1.00 1.00 C ATOM 766 CG LEU A 47 -10.587 -5.576 -6.300 1.00 1.00 C ATOM 767 CD1 LEU A 47 -10.187 -5.845 -7.752 1.00 1.00 C ATOM 768 CD2 LEU A 47 -9.533 -6.175 -5.366 1.00 1.00 C ATOM 0 H LEU A 47 -10.328 -2.638 -8.100 1.00 1.00 H new ATOM 0 HA LEU A 47 -12.531 -4.283 -7.153 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.749 -3.583 -6.364 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.816 -3.861 -5.002 1.00 1.00 H new ATOM 0 HG LEU A 47 -11.556 -6.032 -6.099 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -10.121 -6.920 -7.918 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -10.936 -5.420 -8.420 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -9.219 -5.387 -7.953 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.467 -7.250 -5.534 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.565 -5.716 -5.568 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -9.815 -5.986 -4.330 1.00 1.00 H new ATOM 780 N CYS A 48 -12.706 -1.236 -6.431 1.00 1.00 N ATOM 781 CA CYS A 48 -13.452 -0.215 -5.636 1.00 1.00 C ATOM 782 C CYS A 48 -14.769 0.089 -6.351 1.00 1.00 C ATOM 783 O CYS A 48 -15.684 0.649 -5.785 1.00 1.00 O ATOM 784 CB CYS A 48 -12.611 1.067 -5.520 1.00 1.00 C ATOM 785 SG CYS A 48 -11.833 1.138 -3.886 1.00 1.00 S ATOM 0 H CYS A 48 -12.290 -0.892 -7.297 1.00 1.00 H new ATOM 0 HA CYS A 48 -13.653 -0.593 -4.634 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -11.848 1.085 -6.298 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.242 1.943 -5.672 1.00 1.00 H new ATOM 790 N LYS A 49 -14.864 -0.281 -7.596 1.00 1.00 N ATOM 791 CA LYS A 49 -16.114 -0.019 -8.361 1.00 1.00 C ATOM 792 C LYS A 49 -17.271 -0.821 -7.757 1.00 1.00 C ATOM 793 O LYS A 49 -17.067 -1.803 -7.070 1.00 1.00 O ATOM 794 CB LYS A 49 -15.896 -0.429 -9.823 1.00 1.00 C ATOM 795 CG LYS A 49 -16.124 -1.937 -9.988 1.00 1.00 C ATOM 796 CD LYS A 49 -15.495 -2.411 -11.299 1.00 1.00 C ATOM 797 CE LYS A 49 -15.783 -3.901 -11.493 1.00 1.00 C ATOM 798 NZ LYS A 49 -17.256 -4.126 -11.500 1.00 1.00 N ATOM 0 H LYS A 49 -14.128 -0.755 -8.119 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.362 1.041 -8.312 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.579 0.123 -10.469 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.884 -0.170 -10.134 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.686 -2.475 -9.147 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.192 -2.156 -9.985 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.898 -1.840 -12.135 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.419 -2.237 -11.283 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.347 -4.247 -12.430 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -15.320 -4.479 -10.693 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -17.469 -5.012 -12.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -17.602 -4.190 -10.521 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.726 -3.334 -11.982 1.00 1.00 H new ATOM 812 N ASN A 50 -18.482 -0.410 -8.014 1.00 1.00 N ATOM 813 CA ASN A 50 -19.662 -1.143 -7.467 1.00 1.00 C ATOM 814 C ASN A 50 -19.726 -0.975 -5.946 1.00 1.00 C ATOM 815 O ASN A 50 -20.694 -1.350 -5.315 1.00 1.00 O ATOM 816 CB ASN A 50 -19.549 -2.631 -7.818 1.00 1.00 C ATOM 817 CG ASN A 50 -20.944 -3.264 -7.830 1.00 1.00 C ATOM 818 OD1 ASN A 50 -21.410 -3.755 -6.822 1.00 1.00 O ATOM 819 ND2 ASN A 50 -21.632 -3.271 -8.940 1.00 1.00 N ATOM 0 H ASN A 50 -18.708 0.406 -8.582 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.571 -0.734 -7.907 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.076 -2.750 -8.793 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -18.914 -3.139 -7.092 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -22.562 -3.689 -8.961 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.239 -2.858 -9.786 1.00 1.00 H new ATOM 826 N ILE A 51 -18.708 -0.420 -5.346 1.00 1.00 N ATOM 827 CA ILE A 51 -18.732 -0.241 -3.867 1.00 1.00 C ATOM 828 C ILE A 51 -19.610 0.957 -3.512 1.00 1.00 C ATOM 829 O ILE A 51 -20.075 1.678 -4.373 1.00 1.00 O ATOM 830 CB ILE A 51 -17.308 -0.005 -3.354 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.432 -1.222 -3.679 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.328 0.220 -1.839 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.043 -2.494 -3.076 1.00 1.00 C ATOM 0 H ILE A 51 -17.866 -0.085 -5.813 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.139 -1.138 -3.401 1.00 1.00 H new ATOM 0 HB ILE A 51 -16.898 0.879 -3.842 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.338 -1.333 -4.759 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.427 -1.071 -3.285 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.312 0.387 -1.483 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -17.941 1.091 -1.609 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -17.746 -0.658 -1.346 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.411 -3.350 -3.314 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.114 -2.386 -1.994 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.039 -2.651 -3.491 1.00 1.00 H new ATOM 845 N ARG A 52 -19.841 1.169 -2.248 1.00 1.00 N ATOM 846 CA ARG A 52 -20.693 2.316 -1.820 1.00 1.00 C ATOM 847 C ARG A 52 -19.800 3.515 -1.484 1.00 1.00 C ATOM 848 O ARG A 52 -18.700 3.643 -1.983 1.00 1.00 O ATOM 849 CB ARG A 52 -21.509 1.900 -0.580 1.00 1.00 C ATOM 850 CG ARG A 52 -22.986 2.272 -0.767 1.00 1.00 C ATOM 851 CD ARG A 52 -23.145 3.793 -0.730 1.00 1.00 C ATOM 852 NE ARG A 52 -24.564 4.150 -1.010 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.041 4.032 -2.217 1.00 1.00 C ATOM 854 NH1 ARG A 52 -24.274 3.604 -3.183 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.285 4.344 -2.463 1.00 1.00 N ATOM 0 H ARG A 52 -19.475 0.596 -1.488 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.374 2.596 -2.624 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.415 0.826 -0.417 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -21.112 2.393 0.307 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.351 1.882 -1.717 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -23.588 1.815 0.018 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -22.848 4.177 0.246 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -22.490 4.256 -1.468 1.00 1.00 H new ATOM 0 HE ARG A 52 -25.163 4.487 -0.256 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -23.302 3.362 -2.993 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -24.647 3.512 -4.128 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.885 4.681 -1.710 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -26.657 4.251 -3.408 1.00 1.00 H new ATOM 869 N ASP A 53 -20.267 4.396 -0.641 1.00 1.00 N ATOM 870 CA ASP A 53 -19.456 5.590 -0.268 1.00 1.00 C ATOM 871 C ASP A 53 -18.294 5.176 0.622 1.00 1.00 C ATOM 872 O ASP A 53 -17.762 4.087 0.519 1.00 1.00 O ATOM 873 CB ASP A 53 -20.341 6.588 0.481 1.00 1.00 C ATOM 874 CG ASP A 53 -20.769 5.987 1.821 1.00 1.00 C ATOM 875 OD1 ASP A 53 -20.783 4.772 1.926 1.00 1.00 O ATOM 876 OD2 ASP A 53 -21.076 6.753 2.720 1.00 1.00 O ATOM 0 H ASP A 53 -21.181 4.339 -0.192 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.062 6.052 -1.173 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -19.799 7.519 0.645 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.219 6.832 -0.117 1.00 1.00 H new ATOM 881 N ASN A 54 -17.887 6.055 1.484 1.00 1.00 N ATOM 882 CA ASN A 54 -16.742 5.755 2.385 1.00 1.00 C ATOM 883 C ASN A 54 -17.106 4.604 3.322 1.00 1.00 C ATOM 884 O ASN A 54 -17.979 4.719 4.161 1.00 1.00 O ATOM 885 CB ASN A 54 -16.407 6.998 3.214 1.00 1.00 C ATOM 886 CG ASN A 54 -17.594 7.344 4.114 1.00 1.00 C ATOM 887 OD1 ASN A 54 -17.455 7.421 5.319 1.00 1.00 O ATOM 888 ND2 ASN A 54 -18.764 7.558 3.578 1.00 1.00 N ATOM 0 H ASN A 54 -18.301 6.979 1.607 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.878 5.470 1.784 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.519 6.816 3.819 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.179 7.837 2.556 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -19.562 7.790 4.170 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -18.881 7.494 2.567 1.00 1.00 H new ATOM 895 N THR A 55 -16.434 3.495 3.184 1.00 1.00 N ATOM 896 CA THR A 55 -16.718 2.324 4.059 1.00 1.00 C ATOM 897 C THR A 55 -15.468 1.446 4.130 1.00 1.00 C ATOM 898 O THR A 55 -14.565 1.573 3.327 1.00 1.00 O ATOM 899 CB THR A 55 -17.887 1.517 3.479 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.759 2.391 2.776 1.00 1.00 O ATOM 901 CG2 THR A 55 -18.656 0.832 4.612 1.00 1.00 C ATOM 0 H THR A 55 -15.694 3.349 2.497 1.00 1.00 H new ATOM 0 HA THR A 55 -16.986 2.665 5.059 1.00 1.00 H new ATOM 0 HB THR A 55 -17.500 0.759 2.798 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.038 3.121 3.368 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.485 0.260 4.195 1.00 1.00 H new ATOM 0 HG22 THR A 55 -17.988 0.161 5.152 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.043 1.586 5.297 1.00 1.00 H new ATOM 909 N ASP A 56 -15.404 0.558 5.083 1.00 1.00 N ATOM 910 CA ASP A 56 -14.206 -0.322 5.206 1.00 1.00 C ATOM 911 C ASP A 56 -14.435 -1.619 4.428 1.00 1.00 C ATOM 912 O ASP A 56 -15.339 -2.376 4.718 1.00 1.00 O ATOM 913 CB ASP A 56 -13.966 -0.652 6.680 1.00 1.00 C ATOM 914 CG ASP A 56 -15.253 -1.203 7.297 1.00 1.00 C ATOM 915 OD1 ASP A 56 -16.315 -0.742 6.914 1.00 1.00 O ATOM 916 OD2 ASP A 56 -15.153 -2.077 8.143 1.00 1.00 O ATOM 0 H ASP A 56 -16.130 0.403 5.783 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.337 0.195 4.799 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.163 -1.383 6.774 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.647 0.242 7.216 1.00 1.00 H new ATOM 921 N VAL A 57 -13.615 -1.883 3.443 1.00 1.00 N ATOM 922 CA VAL A 57 -13.773 -3.136 2.646 1.00 1.00 C ATOM 923 C VAL A 57 -12.681 -4.131 3.047 1.00 1.00 C ATOM 924 O VAL A 57 -11.745 -3.792 3.745 1.00 1.00 O ATOM 925 CB VAL A 57 -13.658 -2.814 1.154 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.631 -1.687 0.801 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.230 -2.371 0.833 1.00 1.00 C ATOM 0 H VAL A 57 -12.841 -1.283 3.156 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.752 -3.573 2.842 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.901 -3.703 0.572 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.551 -1.456 -0.261 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.650 -2.001 1.028 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -14.387 -0.799 1.385 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.150 -2.142 -0.230 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.985 -1.482 1.415 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.535 -3.172 1.085 1.00 1.00 H new ATOM 937 N LEU A 58 -12.802 -5.360 2.617 1.00 1.00 N ATOM 938 CA LEU A 58 -11.784 -6.396 2.976 1.00 1.00 C ATOM 939 C LEU A 58 -11.391 -7.174 1.716 1.00 1.00 C ATOM 940 O LEU A 58 -12.237 -7.553 0.929 1.00 1.00 O ATOM 941 CB LEU A 58 -12.412 -7.360 4.004 1.00 1.00 C ATOM 942 CG LEU A 58 -11.442 -7.653 5.158 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.210 -8.393 4.631 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.011 -6.342 5.832 1.00 1.00 C ATOM 0 H LEU A 58 -13.566 -5.694 2.029 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.896 -5.926 3.399 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.330 -6.926 4.399 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.687 -8.293 3.511 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.949 -8.280 5.892 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.527 -8.597 5.456 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.518 -9.333 4.174 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.706 -7.776 3.887 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.323 -6.562 6.649 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.514 -5.703 5.101 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.889 -5.829 6.225 1.00 1.00 H new ATOM 956 N SER A 59 -10.124 -7.423 1.511 1.00 1.00 N ATOM 957 CA SER A 59 -9.724 -8.184 0.293 1.00 1.00 C ATOM 958 C SER A 59 -10.496 -9.507 0.259 1.00 1.00 C ATOM 959 O SER A 59 -10.934 -10.007 1.277 1.00 1.00 O ATOM 960 CB SER A 59 -8.213 -8.437 0.301 1.00 1.00 C ATOM 961 OG SER A 59 -7.953 -9.777 -0.095 1.00 1.00 O ATOM 0 H SER A 59 -9.360 -7.137 2.124 1.00 1.00 H new ATOM 0 HA SER A 59 -9.963 -7.606 -0.600 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.714 -7.744 -0.376 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.809 -8.256 1.297 1.00 1.00 H new ATOM 0 HG SER A 59 -7.370 -9.778 -0.883 1.00 1.00 H new ATOM 967 N ARG A 60 -10.698 -10.058 -0.907 1.00 1.00 N ATOM 968 CA ARG A 60 -11.478 -11.327 -1.013 1.00 1.00 C ATOM 969 C ARG A 60 -10.581 -12.542 -0.753 1.00 1.00 C ATOM 970 O ARG A 60 -11.026 -13.670 -0.821 1.00 1.00 O ATOM 971 CB ARG A 60 -12.077 -11.430 -2.421 1.00 1.00 C ATOM 972 CG ARG A 60 -13.256 -12.407 -2.413 1.00 1.00 C ATOM 973 CD ARG A 60 -13.919 -12.416 -3.792 1.00 1.00 C ATOM 974 NE ARG A 60 -14.940 -13.500 -3.845 1.00 1.00 N ATOM 975 CZ ARG A 60 -16.116 -13.316 -3.308 1.00 1.00 C ATOM 976 NH1 ARG A 60 -16.397 -12.182 -2.726 1.00 1.00 N ATOM 977 NH2 ARG A 60 -17.010 -14.266 -3.354 1.00 1.00 N ATOM 0 H ARG A 60 -10.357 -9.685 -1.793 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.270 -11.316 -0.264 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -12.409 -10.448 -2.758 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -11.317 -11.768 -3.126 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -12.911 -13.409 -2.157 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -13.979 -12.115 -1.652 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.387 -11.451 -3.989 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.168 -12.570 -4.567 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.720 -14.386 -4.301 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -15.698 -11.440 -2.691 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -17.315 -12.038 -2.306 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -16.790 -15.152 -3.809 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -17.929 -14.123 -2.935 1.00 1.00 H new ATOM 991 N ASP A 61 -9.329 -12.337 -0.455 1.00 1.00 N ATOM 992 CA ASP A 61 -8.442 -13.506 -0.199 1.00 1.00 C ATOM 993 C ASP A 61 -7.099 -13.036 0.354 1.00 1.00 C ATOM 994 O ASP A 61 -6.915 -12.920 1.549 1.00 1.00 O ATOM 995 CB ASP A 61 -8.215 -14.267 -1.507 1.00 1.00 C ATOM 996 CG ASP A 61 -7.252 -15.431 -1.259 1.00 1.00 C ATOM 997 OD1 ASP A 61 -6.941 -15.681 -0.106 1.00 1.00 O ATOM 998 OD2 ASP A 61 -6.842 -16.051 -2.227 1.00 1.00 O ATOM 0 H ASP A 61 -8.885 -11.422 -0.378 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.918 -14.161 0.531 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -9.164 -14.641 -1.892 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.806 -13.597 -2.264 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.153 -12.771 -0.506 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.818 -12.319 -0.024 1.00 1.00 C ATOM 1005 C ALA A 62 -4.229 -11.307 -1.006 1.00 1.00 C ATOM 1006 O ALA A 62 -4.651 -11.208 -2.140 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.884 -13.527 0.085 1.00 1.00 C ATOM 0 H ALA A 62 -6.247 -12.848 -1.519 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.926 -11.849 0.953 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.906 -13.200 0.438 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.301 -14.247 0.789 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.779 -13.995 -0.894 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.250 -10.558 -0.576 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.625 -9.553 -1.480 1.00 1.00 C ATOM 1015 C PHE A 63 -1.145 -9.411 -1.124 1.00 1.00 C ATOM 1016 O PHE A 63 -0.786 -9.254 0.027 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.328 -8.200 -1.315 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.535 -8.148 -2.223 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.739 -8.738 -1.822 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.447 -7.512 -3.466 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.855 -8.693 -2.666 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.563 -7.467 -4.310 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.766 -8.057 -3.910 1.00 1.00 C ATOM 0 H PHE A 63 -2.856 -10.599 0.364 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.723 -9.881 -2.515 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.633 -8.060 -0.278 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.641 -7.389 -1.557 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.807 -9.228 -0.862 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.518 -7.056 -3.774 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.784 -9.149 -2.358 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.495 -6.977 -5.270 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.627 -8.022 -4.561 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.289 -9.474 -2.105 1.00 1.00 N ATOM 1034 CA LEU A 64 1.171 -9.349 -1.840 1.00 1.00 C ATOM 1035 C LEU A 64 1.531 -7.877 -1.656 1.00 1.00 C ATOM 1036 O LEU A 64 1.466 -7.096 -2.585 1.00 1.00 O ATOM 1037 CB LEU A 64 1.947 -9.913 -3.034 1.00 1.00 C ATOM 1038 CG LEU A 64 3.411 -10.155 -2.645 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.093 -10.984 -3.736 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.143 -8.813 -2.490 1.00 1.00 C ATOM 0 H LEU A 64 -0.540 -9.607 -3.085 1.00 1.00 H new ATOM 0 HA LEU A 64 1.428 -9.902 -0.936 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.492 -10.846 -3.365 1.00 1.00 H new ATOM 0 HB3 LEU A 64 1.895 -9.218 -3.872 1.00 1.00 H new ATOM 0 HG LEU A 64 3.446 -10.691 -1.697 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.134 -11.158 -3.463 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.580 -11.940 -3.840 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.051 -10.445 -4.682 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.182 -8.995 -2.214 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.109 -8.269 -3.434 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.659 -8.222 -1.712 1.00 1.00 H new ATOM 1052 N LEU A 65 1.914 -7.484 -0.469 1.00 1.00 N ATOM 1053 CA LEU A 65 2.283 -6.056 -0.246 1.00 1.00 C ATOM 1054 C LEU A 65 3.730 -5.964 0.252 1.00 1.00 C ATOM 1055 O LEU A 65 4.081 -6.566 1.247 1.00 1.00 O ATOM 1056 CB LEU A 65 1.370 -5.406 0.807 1.00 1.00 C ATOM 1057 CG LEU A 65 0.380 -6.410 1.387 1.00 1.00 C ATOM 1058 CD1 LEU A 65 -0.096 -5.880 2.741 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.816 -6.545 0.436 1.00 1.00 C ATOM 0 H LEU A 65 1.987 -8.087 0.351 1.00 1.00 H new ATOM 0 HA LEU A 65 2.170 -5.532 -1.195 1.00 1.00 H new ATOM 0 HB2 LEU A 65 1.978 -4.989 1.609 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.826 -4.577 0.355 1.00 1.00 H new ATOM 0 HG LEU A 65 0.850 -7.386 1.510 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.807 -6.582 3.177 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.758 -5.767 3.408 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.579 -4.913 2.604 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.528 -7.262 0.846 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.302 -5.576 0.323 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.470 -6.893 -0.537 1.00 1.00 H new ATOM 1071 N PRO A 66 4.554 -5.186 -0.402 1.00 1.00 N ATOM 1072 CA PRO A 66 5.961 -4.990 0.030 1.00 1.00 C ATOM 1073 C PRO A 66 6.006 -4.079 1.255 1.00 1.00 C ATOM 1074 O PRO A 66 5.180 -3.199 1.403 1.00 1.00 O ATOM 1075 CB PRO A 66 6.636 -4.331 -1.176 1.00 1.00 C ATOM 1076 CG PRO A 66 5.535 -3.673 -1.945 1.00 1.00 C ATOM 1077 CD PRO A 66 4.241 -4.414 -1.614 1.00 1.00 C ATOM 0 HA PRO A 66 6.456 -5.918 0.317 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.381 -3.602 -0.858 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.154 -5.070 -1.788 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.454 -2.620 -1.675 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.737 -3.713 -3.015 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.420 -3.719 -1.440 1.00 1.00 H new ATOM 0 HD3 PRO A 66 3.938 -5.067 -2.432 1.00 1.00 H new ATOM 1085 N GLN A 67 6.931 -4.281 2.151 1.00 1.00 N ATOM 1086 CA GLN A 67 6.970 -3.412 3.361 1.00 1.00 C ATOM 1087 C GLN A 67 8.413 -3.185 3.807 1.00 1.00 C ATOM 1088 O GLN A 67 9.257 -4.052 3.694 1.00 1.00 O ATOM 1089 CB GLN A 67 6.188 -4.081 4.497 1.00 1.00 C ATOM 1090 CG GLN A 67 4.930 -4.747 3.936 1.00 1.00 C ATOM 1091 CD GLN A 67 4.108 -5.333 5.084 1.00 1.00 C ATOM 1092 OE1 GLN A 67 4.609 -5.512 6.177 1.00 1.00 O ATOM 1093 NE2 GLN A 67 2.856 -5.642 4.882 1.00 1.00 N ATOM 0 H GLN A 67 7.653 -5.000 2.101 1.00 1.00 H new ATOM 0 HA GLN A 67 6.519 -2.450 3.117 1.00 1.00 H new ATOM 0 HB2 GLN A 67 6.813 -4.823 4.994 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.915 -3.340 5.248 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.336 -4.019 3.384 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.205 -5.533 3.233 1.00 1.00 H new ATOM 0 HE21 GLN A 67 2.435 -5.492 3.965 1.00 1.00 H new ATOM 0 HE22 GLN A 67 2.298 -6.033 5.641 1.00 1.00 H new ATOM 1102 N CYS A 68 8.695 -2.018 4.322 1.00 1.00 N ATOM 1103 CA CYS A 68 10.080 -1.713 4.790 1.00 1.00 C ATOM 1104 C CYS A 68 10.139 -1.811 6.317 1.00 1.00 C ATOM 1105 O CYS A 68 9.196 -1.471 7.004 1.00 1.00 O ATOM 1106 CB CYS A 68 10.453 -0.295 4.367 1.00 1.00 C ATOM 1107 SG CYS A 68 9.985 -0.043 2.639 1.00 1.00 S ATOM 0 H CYS A 68 8.023 -1.259 4.439 1.00 1.00 H new ATOM 0 HA CYS A 68 10.776 -2.427 4.351 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.946 0.431 5.002 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.524 -0.136 4.492 1.00 1.00 H new ATOM 1112 N ASP A 69 11.241 -2.270 6.853 1.00 1.00 N ATOM 1113 CA ASP A 69 11.359 -2.385 8.339 1.00 1.00 C ATOM 1114 C ASP A 69 12.761 -1.962 8.789 1.00 1.00 C ATOM 1115 O ASP A 69 13.740 -2.627 8.511 1.00 1.00 O ATOM 1116 CB ASP A 69 11.109 -3.837 8.756 1.00 1.00 C ATOM 1117 CG ASP A 69 11.084 -3.934 10.282 1.00 1.00 C ATOM 1118 OD1 ASP A 69 10.733 -2.950 10.912 1.00 1.00 O ATOM 1119 OD2 ASP A 69 11.415 -4.990 10.795 1.00 1.00 O ATOM 0 H ASP A 69 12.063 -2.570 6.328 1.00 1.00 H new ATOM 0 HA ASP A 69 10.622 -1.733 8.808 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.163 -4.187 8.343 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.890 -4.482 8.353 1.00 1.00 H new ATOM 1124 N ARG A 70 12.866 -0.862 9.490 1.00 1.00 N ATOM 1125 CA ARG A 70 14.202 -0.396 9.967 1.00 1.00 C ATOM 1126 C ARG A 70 14.527 -1.080 11.299 1.00 1.00 C ATOM 1127 O ARG A 70 13.776 -0.992 12.249 1.00 1.00 O ATOM 1128 CB ARG A 70 14.167 1.126 10.162 1.00 1.00 C ATOM 1129 CG ARG A 70 15.577 1.709 10.026 1.00 1.00 C ATOM 1130 CD ARG A 70 16.479 1.164 11.137 1.00 1.00 C ATOM 1131 NE ARG A 70 15.705 1.044 12.404 1.00 1.00 N ATOM 1132 CZ ARG A 70 15.417 2.112 13.097 1.00 1.00 C ATOM 1133 NH1 ARG A 70 15.809 3.285 12.681 1.00 1.00 N ATOM 1134 NH2 ARG A 70 14.738 2.006 14.207 1.00 1.00 N ATOM 0 H ARG A 70 12.082 -0.265 9.753 1.00 1.00 H new ATOM 0 HA ARG A 70 14.967 -0.649 9.233 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.505 1.579 9.424 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.760 1.365 11.145 1.00 1.00 H new ATOM 0 HG2 ARG A 70 15.992 1.454 9.051 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.536 2.797 10.080 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.877 0.191 10.850 1.00 1.00 H new ATOM 0 HD3 ARG A 70 17.332 1.827 11.283 1.00 1.00 H new ATOM 0 HE ARG A 70 15.400 0.127 12.730 1.00 1.00 H new ATOM 0 HH11 ARG A 70 16.340 3.367 11.814 1.00 1.00 H new ATOM 0 HH12 ARG A 70 15.584 4.120 13.223 1.00 1.00 H new ATOM 0 HH21 ARG A 70 14.433 1.089 14.532 1.00 1.00 H new ATOM 0 HH22 ARG A 70 14.513 2.840 14.749 1.00 1.00 H new ATOM 1148 N ILE A 71 15.640 -1.763 11.372 1.00 1.00 N ATOM 1149 CA ILE A 71 16.017 -2.459 12.639 1.00 1.00 C ATOM 1150 C ILE A 71 17.458 -2.101 13.018 1.00 1.00 C ATOM 1151 O ILE A 71 17.858 -2.230 14.158 1.00 1.00 O ATOM 1152 CB ILE A 71 15.904 -3.973 12.437 1.00 1.00 C ATOM 1153 CG1 ILE A 71 14.426 -4.366 12.272 1.00 1.00 C ATOM 1154 CG2 ILE A 71 16.507 -4.701 13.643 1.00 1.00 C ATOM 1155 CD1 ILE A 71 13.769 -4.570 13.644 1.00 1.00 C ATOM 0 H ILE A 71 16.306 -1.869 10.607 1.00 1.00 H new ATOM 0 HA ILE A 71 15.347 -2.144 13.439 1.00 1.00 H new ATOM 0 HB ILE A 71 16.451 -4.259 11.538 1.00 1.00 H new ATOM 0 HG12 ILE A 71 13.896 -3.589 11.720 1.00 1.00 H new ATOM 0 HG13 ILE A 71 14.350 -5.282 11.686 1.00 1.00 H new ATOM 0 HG21 ILE A 71 16.425 -5.778 13.496 1.00 1.00 H new ATOM 0 HG22 ILE A 71 17.557 -4.428 13.745 1.00 1.00 H new ATOM 0 HG23 ILE A 71 15.968 -4.416 14.547 1.00 1.00 H new ATOM 0 HD11 ILE A 71 12.724 -4.848 13.509 1.00 1.00 H new ATOM 0 HD12 ILE A 71 14.289 -5.363 14.182 1.00 1.00 H new ATOM 0 HD13 ILE A 71 13.828 -3.644 14.217 1.00 1.00 H new ATOM 1167 N LYS A 72 18.245 -1.658 12.074 1.00 1.00 N ATOM 1168 CA LYS A 72 19.659 -1.302 12.391 1.00 1.00 C ATOM 1169 C LYS A 72 20.160 -0.249 11.394 1.00 1.00 C ATOM 1170 O LYS A 72 19.477 0.098 10.451 1.00 1.00 O ATOM 1171 CB LYS A 72 20.526 -2.567 12.304 1.00 1.00 C ATOM 1172 CG LYS A 72 21.737 -2.436 13.233 1.00 1.00 C ATOM 1173 CD LYS A 72 22.674 -3.632 13.034 1.00 1.00 C ATOM 1174 CE LYS A 72 22.069 -4.883 13.679 1.00 1.00 C ATOM 1175 NZ LYS A 72 23.123 -5.928 13.816 1.00 1.00 N ATOM 0 H LYS A 72 17.971 -1.528 11.100 1.00 1.00 H new ATOM 0 HA LYS A 72 19.721 -0.890 13.398 1.00 1.00 H new ATOM 0 HB2 LYS A 72 19.937 -3.441 12.581 1.00 1.00 H new ATOM 0 HB3 LYS A 72 20.859 -2.720 11.278 1.00 1.00 H new ATOM 0 HG2 LYS A 72 22.268 -1.507 13.025 1.00 1.00 H new ATOM 0 HG3 LYS A 72 21.408 -2.389 14.271 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.837 -3.804 11.970 1.00 1.00 H new ATOM 0 HD3 LYS A 72 23.648 -3.419 13.476 1.00 1.00 H new ATOM 0 HE2 LYS A 72 21.655 -4.638 14.657 1.00 1.00 H new ATOM 0 HE3 LYS A 72 21.246 -5.258 13.070 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 22.714 -6.778 14.254 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 23.498 -6.169 12.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 23.894 -5.567 14.414 1.00 1.00 H new ATOM 1189 N LEU A 73 21.343 0.270 11.606 1.00 1.00 N ATOM 1190 CA LEU A 73 21.894 1.311 10.686 1.00 1.00 C ATOM 1191 C LEU A 73 21.005 2.564 10.771 1.00 1.00 C ATOM 1192 O LEU A 73 19.990 2.551 11.437 1.00 1.00 O ATOM 1193 CB LEU A 73 21.922 0.764 9.250 1.00 1.00 C ATOM 1194 CG LEU A 73 22.440 -0.680 9.252 1.00 1.00 C ATOM 1195 CD1 LEU A 73 22.754 -1.113 7.818 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.714 -0.770 10.097 1.00 1.00 C ATOM 0 H LEU A 73 21.954 0.016 12.382 1.00 1.00 H new ATOM 0 HA LEU A 73 22.912 1.572 10.975 1.00 1.00 H new ATOM 0 HB2 LEU A 73 20.922 0.800 8.818 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.562 1.388 8.626 1.00 1.00 H new ATOM 0 HG LEU A 73 21.677 -1.334 9.674 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.122 -2.139 7.820 1.00 1.00 H new ATOM 0 HD12 LEU A 73 21.849 -1.053 7.213 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.515 -0.455 7.398 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.079 -1.797 10.096 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.476 -0.113 9.677 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.495 -0.464 11.120 1.00 1.00 H new ATOM 1208 N PRO A 74 21.375 3.643 10.116 1.00 1.00 N ATOM 1209 CA PRO A 74 20.588 4.906 10.149 1.00 1.00 C ATOM 1210 C PRO A 74 19.384 4.881 9.200 1.00 1.00 C ATOM 1211 O PRO A 74 18.250 4.776 9.626 1.00 1.00 O ATOM 1212 CB PRO A 74 21.591 5.995 9.717 1.00 1.00 C ATOM 1213 CG PRO A 74 22.877 5.292 9.379 1.00 1.00 C ATOM 1214 CD PRO A 74 22.571 3.797 9.284 1.00 1.00 C ATOM 0 HA PRO A 74 20.165 5.077 11.139 1.00 1.00 H new ATOM 0 HB2 PRO A 74 21.215 6.548 8.856 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.745 6.718 10.518 1.00 1.00 H new ATOM 0 HG2 PRO A 74 23.280 5.662 8.436 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.630 5.482 10.144 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.387 3.489 8.255 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.399 3.193 9.655 1.00 1.00 H new ATOM 1222 N CYS A 75 19.620 4.995 7.919 1.00 1.00 N ATOM 1223 CA CYS A 75 18.491 4.999 6.942 1.00 1.00 C ATOM 1224 C CYS A 75 18.521 3.721 6.098 1.00 1.00 C ATOM 1225 O CYS A 75 18.473 3.769 4.884 1.00 1.00 O ATOM 1226 CB CYS A 75 18.629 6.219 6.028 1.00 1.00 C ATOM 1227 SG CYS A 75 17.039 6.565 5.233 1.00 1.00 S ATOM 0 H CYS A 75 20.548 5.086 7.506 1.00 1.00 H new ATOM 0 HA CYS A 75 17.545 5.043 7.481 1.00 1.00 H new ATOM 0 HB2 CYS A 75 18.954 7.084 6.606 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.393 6.035 5.272 1.00 1.00 H new ATOM 1232 N HIS A 76 18.588 2.579 6.732 1.00 1.00 N ATOM 1233 CA HIS A 76 18.607 1.291 5.973 1.00 1.00 C ATOM 1234 C HIS A 76 17.424 0.435 6.432 1.00 1.00 C ATOM 1235 O HIS A 76 17.287 0.129 7.600 1.00 1.00 O ATOM 1236 CB HIS A 76 19.920 0.549 6.255 1.00 1.00 C ATOM 1237 CG HIS A 76 20.334 -0.232 5.036 1.00 1.00 C ATOM 1238 ND1 HIS A 76 20.727 0.388 3.857 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.422 -1.582 4.797 1.00 1.00 C ATOM 1240 CE1 HIS A 76 21.029 -0.579 2.971 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.861 -1.795 3.495 1.00 1.00 N ATOM 0 H HIS A 76 18.631 2.482 7.746 1.00 1.00 H new ATOM 0 HA HIS A 76 18.531 1.487 4.903 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.700 1.261 6.525 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.794 -0.123 7.104 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.187 -2.358 5.510 1.00 1.00 H new ATOM 0 HE1 HIS A 76 21.365 -0.394 1.962 1.00 1.00 H new ATOM 0 HE2 HIS A 76 21.021 -2.692 3.037 1.00 1.00 H new ATOM 1250 N TYR A 77 16.560 0.058 5.527 1.00 1.00 N ATOM 1251 CA TYR A 77 15.378 -0.766 5.917 1.00 1.00 C ATOM 1252 C TYR A 77 15.527 -2.193 5.386 1.00 1.00 C ATOM 1253 O TYR A 77 16.355 -2.471 4.541 1.00 1.00 O ATOM 1254 CB TYR A 77 14.110 -0.142 5.331 1.00 1.00 C ATOM 1255 CG TYR A 77 14.233 1.362 5.344 1.00 1.00 C ATOM 1256 CD1 TYR A 77 14.939 2.017 4.328 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.639 2.100 6.372 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.050 3.413 4.342 1.00 1.00 C ATOM 1259 CE2 TYR A 77 13.749 3.495 6.387 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.454 4.151 5.371 1.00 1.00 C ATOM 1261 OH TYR A 77 14.560 5.525 5.384 1.00 1.00 O ATOM 0 H TYR A 77 16.622 0.285 4.534 1.00 1.00 H new ATOM 0 HA TYR A 77 15.312 -0.796 7.005 1.00 1.00 H new ATOM 0 HB2 TYR A 77 13.956 -0.496 4.311 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.240 -0.451 5.910 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.398 1.446 3.534 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.095 1.593 7.155 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.595 3.920 3.559 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.290 4.065 7.182 1.00 1.00 H new ATOM 0 HH TYR A 77 15.384 5.785 5.846 1.00 1.00 H new ATOM 1271 N LYS A 78 14.718 -3.094 5.875 1.00 1.00 N ATOM 1272 CA LYS A 78 14.784 -4.508 5.406 1.00 1.00 C ATOM 1273 C LYS A 78 13.570 -4.789 4.519 1.00 1.00 C ATOM 1274 O LYS A 78 12.529 -4.177 4.668 1.00 1.00 O ATOM 1275 CB LYS A 78 14.762 -5.450 6.613 1.00 1.00 C ATOM 1276 CG LYS A 78 15.795 -4.989 7.645 1.00 1.00 C ATOM 1277 CD LYS A 78 17.198 -5.056 7.035 1.00 1.00 C ATOM 1278 CE LYS A 78 18.244 -5.038 8.152 1.00 1.00 C ATOM 1279 NZ LYS A 78 18.272 -6.366 8.828 1.00 1.00 N ATOM 0 H LYS A 78 14.009 -2.909 6.585 1.00 1.00 H new ATOM 0 HA LYS A 78 15.703 -4.669 4.842 1.00 1.00 H new ATOM 0 HB2 LYS A 78 13.768 -5.462 7.059 1.00 1.00 H new ATOM 0 HB3 LYS A 78 14.981 -6.469 6.295 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.575 -3.970 7.964 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.743 -5.620 8.533 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.303 -5.962 6.439 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.354 -4.212 6.363 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.227 -4.806 7.741 1.00 1.00 H new ATOM 0 HE3 LYS A 78 18.008 -4.256 8.873 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.187 -6.493 9.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.505 -6.415 9.529 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.143 -7.118 8.121 1.00 1.00 H new ATOM 1293 N LEU A 79 13.698 -5.702 3.595 1.00 1.00 N ATOM 1294 CA LEU A 79 12.554 -6.016 2.691 1.00 1.00 C ATOM 1295 C LEU A 79 11.673 -7.095 3.328 1.00 1.00 C ATOM 1296 O LEU A 79 12.141 -8.152 3.703 1.00 1.00 O ATOM 1297 CB LEU A 79 13.096 -6.520 1.349 1.00 1.00 C ATOM 1298 CG LEU A 79 11.945 -7.023 0.468 1.00 1.00 C ATOM 1299 CD1 LEU A 79 10.870 -5.938 0.347 1.00 1.00 C ATOM 1300 CD2 LEU A 79 12.487 -7.360 -0.924 1.00 1.00 C ATOM 0 H LEU A 79 14.545 -6.244 3.427 1.00 1.00 H new ATOM 0 HA LEU A 79 11.958 -5.117 2.531 1.00 1.00 H new ATOM 0 HB2 LEU A 79 13.630 -5.718 0.840 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.813 -7.324 1.517 1.00 1.00 H new ATOM 0 HG LEU A 79 11.506 -7.913 0.919 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.055 -6.301 -0.280 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.485 -5.695 1.337 1.00 1.00 H new ATOM 0 HD13 LEU A 79 11.304 -5.045 -0.103 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.673 -7.718 -1.554 1.00 1.00 H new ATOM 0 HD22 LEU A 79 12.925 -6.467 -1.370 1.00 1.00 H new ATOM 0 HD23 LEU A 79 13.249 -8.135 -0.840 1.00 1.00 H new ATOM 1312 N SER A 80 10.399 -6.835 3.448 1.00 1.00 N ATOM 1313 CA SER A 80 9.478 -7.841 4.052 1.00 1.00 C ATOM 1314 C SER A 80 8.121 -7.762 3.348 1.00 1.00 C ATOM 1315 O SER A 80 7.464 -6.740 3.364 1.00 1.00 O ATOM 1316 CB SER A 80 9.301 -7.539 5.540 1.00 1.00 C ATOM 1317 OG SER A 80 8.071 -8.094 5.988 1.00 1.00 O ATOM 0 H SER A 80 9.955 -5.966 3.153 1.00 1.00 H new ATOM 0 HA SER A 80 9.895 -8.841 3.934 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.131 -7.958 6.109 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.310 -6.462 5.708 1.00 1.00 H new ATOM 0 HG SER A 80 7.955 -7.904 6.942 1.00 1.00 H new ATOM 1323 N SER A 81 7.698 -8.830 2.725 1.00 1.00 N ATOM 1324 CA SER A 81 6.386 -8.813 2.013 1.00 1.00 C ATOM 1325 C SER A 81 5.645 -10.130 2.262 1.00 1.00 C ATOM 1326 O SER A 81 6.243 -11.141 2.570 1.00 1.00 O ATOM 1327 CB SER A 81 6.629 -8.640 0.511 1.00 1.00 C ATOM 1328 OG SER A 81 7.781 -7.831 0.314 1.00 1.00 O ATOM 0 H SER A 81 8.205 -9.714 2.678 1.00 1.00 H new ATOM 0 HA SER A 81 5.782 -7.986 2.385 1.00 1.00 H new ATOM 0 HB2 SER A 81 6.768 -9.612 0.039 1.00 1.00 H new ATOM 0 HB3 SER A 81 5.761 -8.178 0.041 1.00 1.00 H new ATOM 0 HG SER A 81 7.942 -7.719 -0.646 1.00 1.00 H new ATOM 1334 N SER A 82 4.347 -10.124 2.126 1.00 1.00 N ATOM 1335 CA SER A 82 3.567 -11.373 2.349 1.00 1.00 C ATOM 1336 C SER A 82 2.184 -11.226 1.726 1.00 1.00 C ATOM 1337 O SER A 82 1.751 -10.139 1.398 1.00 1.00 O ATOM 1338 CB SER A 82 3.432 -11.633 3.850 1.00 1.00 C ATOM 1339 OG SER A 82 2.654 -10.598 4.437 1.00 1.00 O ATOM 0 H SER A 82 3.793 -9.307 1.870 1.00 1.00 H new ATOM 0 HA SER A 82 4.085 -12.212 1.885 1.00 1.00 H new ATOM 0 HB2 SER A 82 2.961 -12.601 4.022 1.00 1.00 H new ATOM 0 HB3 SER A 82 4.417 -11.671 4.314 1.00 1.00 H new ATOM 0 HG SER A 82 2.564 -10.762 5.399 1.00 1.00 H new ATOM 1345 N THR A 83 1.496 -12.319 1.540 1.00 1.00 N ATOM 1346 CA THR A 83 0.155 -12.267 0.922 1.00 1.00 C ATOM 1347 C THR A 83 -0.920 -12.492 1.987 1.00 1.00 C ATOM 1348 O THR A 83 -0.984 -13.532 2.611 1.00 1.00 O ATOM 1349 CB THR A 83 0.087 -13.370 -0.130 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.084 -14.344 0.151 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.338 -12.770 -1.512 1.00 1.00 C ATOM 0 H THR A 83 1.816 -13.253 1.795 1.00 1.00 H new ATOM 0 HA THR A 83 -0.018 -11.293 0.465 1.00 1.00 H new ATOM 0 HB THR A 83 -0.898 -13.836 -0.111 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.044 -15.056 -0.521 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.290 -13.557 -2.265 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.421 -12.017 -1.725 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.325 -12.307 -1.534 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.768 -11.523 2.195 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.843 -11.683 3.217 1.00 1.00 C ATOM 1361 C ASN A 84 -3.963 -10.677 2.941 1.00 1.00 C ATOM 1362 O ASN A 84 -3.753 -9.668 2.296 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.265 -11.431 4.611 1.00 1.00 C ATOM 1364 CG ASN A 84 -3.384 -11.508 5.650 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -4.288 -12.311 5.528 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -3.363 -10.699 6.674 1.00 1.00 N ATOM 0 H ASN A 84 -1.764 -10.629 1.704 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.243 -12.696 3.167 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -1.495 -12.169 4.836 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.788 -10.451 4.647 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -4.105 -10.741 7.372 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -2.604 -10.025 6.776 1.00 1.00 H new ATOM 1373 N THR A 85 -5.150 -10.938 3.423 1.00 1.00 N ATOM 1374 CA THR A 85 -6.268 -9.987 3.187 1.00 1.00 C ATOM 1375 C THR A 85 -5.941 -8.673 3.899 1.00 1.00 C ATOM 1376 O THR A 85 -5.056 -8.616 4.729 1.00 1.00 O ATOM 1377 CB THR A 85 -7.571 -10.587 3.748 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.328 -11.922 4.168 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.661 -10.586 2.672 1.00 1.00 C ATOM 0 H THR A 85 -5.390 -11.766 3.968 1.00 1.00 H new ATOM 0 HA THR A 85 -6.397 -9.803 2.120 1.00 1.00 H new ATOM 0 HB THR A 85 -7.906 -9.985 4.593 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.136 -12.481 3.386 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.577 -11.013 3.081 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.851 -9.563 2.347 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.332 -11.182 1.820 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.633 -7.615 3.582 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.334 -6.313 4.245 1.00 1.00 C ATOM 1389 C ILE A 86 -7.615 -5.482 4.340 1.00 1.00 C ATOM 1390 O ILE A 86 -8.596 -5.758 3.681 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.249 -5.560 3.437 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.873 -4.524 2.485 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.434 -6.557 2.609 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -6.725 -5.227 1.421 1.00 1.00 C ATOM 0 H ILE A 86 -7.388 -7.594 2.897 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.958 -6.487 5.253 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.608 -5.041 4.149 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.489 -3.825 3.050 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -5.087 -3.941 2.005 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.672 -6.022 2.042 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.954 -7.276 3.274 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.095 -7.084 1.921 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -7.161 -4.483 0.754 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -6.099 -5.908 0.845 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -7.522 -5.790 1.907 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.607 -4.459 5.154 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.810 -3.595 5.295 1.00 1.00 C ATOM 1408 C CYS A 87 -8.464 -2.202 4.770 1.00 1.00 C ATOM 1409 O CYS A 87 -7.435 -1.645 5.097 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.206 -3.525 6.774 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.251 -2.080 7.071 1.00 1.00 S ATOM 0 H CYS A 87 -6.811 -4.185 5.730 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.647 -4.001 4.727 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.738 -4.433 7.059 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -8.312 -3.471 7.395 1.00 1.00 H new ATOM 0 HG CYS A 87 -10.581 -2.034 8.328 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.296 -1.645 3.935 1.00 1.00 N ATOM 1417 CA ILE A 88 -8.994 -0.296 3.375 1.00 1.00 C ATOM 1418 C ILE A 88 -10.299 0.496 3.243 1.00 1.00 C ATOM 1419 O ILE A 88 -11.371 -0.070 3.158 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.306 -0.469 2.005 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.828 0.559 0.997 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.580 -1.872 1.462 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.969 0.524 -0.273 1.00 1.00 C ATOM 0 H ILE A 88 -10.170 -2.063 3.616 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.324 0.255 4.035 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.235 -0.320 2.144 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.868 0.344 0.750 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -8.804 1.557 1.436 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.092 -1.989 0.494 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.189 -2.614 2.158 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.654 -2.014 1.346 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.345 1.257 -0.987 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -6.936 0.761 -0.020 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -8.015 -0.471 -0.716 1.00 1.00 H new ATOM 1435 N THR A 89 -10.220 1.803 3.232 1.00 1.00 N ATOM 1436 CA THR A 89 -11.457 2.627 3.110 1.00 1.00 C ATOM 1437 C THR A 89 -11.571 3.160 1.679 1.00 1.00 C ATOM 1438 O THR A 89 -10.654 3.776 1.155 1.00 1.00 O ATOM 1439 CB THR A 89 -11.395 3.789 4.107 1.00 1.00 C ATOM 1440 OG1 THR A 89 -11.838 3.337 5.379 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.291 4.939 3.636 1.00 1.00 C ATOM 0 H THR A 89 -9.352 2.333 3.302 1.00 1.00 H new ATOM 0 HA THR A 89 -12.333 2.017 3.332 1.00 1.00 H new ATOM 0 HB THR A 89 -10.368 4.146 4.176 1.00 1.00 H new ATOM 0 HG1 THR A 89 -11.799 4.076 6.021 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.238 5.758 4.353 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.952 5.288 2.660 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.321 4.590 3.559 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.695 2.919 1.051 1.00 1.00 N ATOM 1450 CA CYS A 90 -12.911 3.390 -0.350 1.00 1.00 C ATOM 1451 C CYS A 90 -14.240 4.149 -0.431 1.00 1.00 C ATOM 1452 O CYS A 90 -15.169 3.863 0.298 1.00 1.00 O ATOM 1453 CB CYS A 90 -12.956 2.175 -1.281 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.755 2.711 -2.997 1.00 1.00 S ATOM 0 H CYS A 90 -13.481 2.410 1.455 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.099 4.053 -0.649 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.167 1.472 -1.015 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -13.904 1.650 -1.163 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.338 5.114 -1.307 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.604 5.892 -1.430 1.00 1.00 C ATOM 1461 C VAL A 91 -16.488 5.266 -2.516 1.00 1.00 C ATOM 1462 O VAL A 91 -16.514 4.063 -2.686 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.269 7.352 -1.780 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.889 7.475 -3.266 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -16.480 8.251 -1.470 1.00 1.00 C ATOM 0 H VAL A 91 -13.593 5.397 -1.944 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.147 5.871 -0.485 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.419 7.672 -1.177 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -14.655 8.514 -3.497 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.018 6.853 -3.472 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -15.724 7.145 -3.884 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -16.239 9.284 -1.719 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -17.336 7.925 -2.061 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -16.723 8.181 -0.410 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.213 6.066 -3.249 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.097 5.513 -4.316 1.00 1.00 C ATOM 1477 C ASN A 92 -17.335 4.488 -5.144 1.00 1.00 C ATOM 1478 O ASN A 92 -17.846 3.443 -5.494 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.575 6.649 -5.222 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.650 7.463 -4.498 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -19.344 8.272 -3.644 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.905 7.283 -4.806 1.00 1.00 N ATOM 0 H ASN A 92 -17.232 7.082 -3.155 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.956 5.029 -3.852 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.736 7.292 -5.490 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -18.975 6.243 -6.151 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.629 7.821 -4.330 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -21.162 6.604 -5.523 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.117 4.785 -5.452 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.293 3.841 -6.260 1.00 1.00 C ATOM 1491 C GLN A 93 -13.863 4.374 -6.374 1.00 1.00 C ATOM 1492 O GLN A 93 -13.290 4.419 -7.444 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.897 3.695 -7.659 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.038 5.075 -8.307 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.955 4.975 -9.527 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -16.544 5.253 -10.636 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -18.192 4.585 -9.368 1.00 1.00 N ATOM 0 H GLN A 93 -15.644 5.647 -5.180 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.279 2.868 -5.770 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.263 3.057 -8.274 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -16.872 3.211 -7.596 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -16.447 5.786 -7.589 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.059 5.450 -8.605 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -18.537 4.351 -8.437 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -18.812 4.514 -10.175 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.283 4.771 -5.274 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.887 5.301 -5.298 1.00 1.00 C ATOM 1508 C LEU A 94 -11.221 5.003 -3.944 1.00 1.00 C ATOM 1509 O LEU A 94 -11.605 5.561 -2.934 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.913 6.824 -5.508 1.00 1.00 C ATOM 1511 CG LEU A 94 -12.237 7.166 -6.976 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -13.716 7.549 -7.109 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -11.373 8.349 -7.427 1.00 1.00 C ATOM 0 H LEU A 94 -13.719 4.751 -4.352 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.333 4.829 -6.110 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.658 7.274 -4.852 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.948 7.250 -5.234 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.029 6.295 -7.598 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -13.938 7.789 -8.149 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -14.338 6.713 -6.789 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.925 8.417 -6.484 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -11.601 8.592 -8.465 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.583 9.214 -6.798 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.319 8.084 -7.340 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.233 4.140 -3.909 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.529 3.795 -2.641 1.00 1.00 C ATOM 1527 C PRO A 95 -8.594 4.924 -2.206 1.00 1.00 C ATOM 1528 O PRO A 95 -7.801 5.407 -2.990 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.743 2.528 -2.990 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.529 2.582 -4.470 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.677 3.407 -5.062 1.00 1.00 C ATOM 0 HA PRO A 95 -10.215 3.645 -1.807 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.792 2.497 -2.457 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.296 1.633 -2.706 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.567 3.038 -4.704 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.518 1.578 -4.894 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.320 4.090 -5.832 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.428 2.768 -5.526 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.694 5.380 -0.979 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.820 6.505 -0.547 1.00 1.00 C ATOM 1541 C ILE A 96 -7.251 6.277 0.859 1.00 1.00 C ATOM 1542 O ILE A 96 -6.388 7.015 1.288 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.644 7.798 -0.563 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.865 7.647 0.366 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.128 8.077 -1.995 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.543 8.185 1.763 1.00 1.00 C ATOM 0 H ILE A 96 -9.335 5.024 -0.270 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.978 6.573 -1.236 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.024 8.625 -0.216 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.716 8.186 -0.051 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.153 6.598 0.431 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.714 8.996 -2.008 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.268 8.186 -2.655 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.746 7.247 -2.338 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.415 8.071 2.407 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.706 7.627 2.184 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.278 9.240 1.694 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.708 5.291 1.599 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.137 5.103 2.971 1.00 1.00 C ATOM 1560 C HIS A 97 -6.808 3.628 3.220 1.00 1.00 C ATOM 1561 O HIS A 97 -7.622 2.752 3.015 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.146 5.603 4.016 1.00 1.00 C ATOM 1563 CG HIS A 97 -7.632 6.861 4.665 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -6.318 6.989 5.094 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -8.243 8.054 4.966 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -6.182 8.219 5.624 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -7.325 8.905 5.569 1.00 1.00 N ATOM 0 H HIS A 97 -8.431 4.627 1.322 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.214 5.677 3.053 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.108 5.795 3.542 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.311 4.835 4.772 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -9.277 8.293 4.765 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -5.263 8.602 6.041 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -7.490 9.855 5.900 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.612 3.358 3.674 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.207 1.950 3.956 1.00 1.00 C ATOM 1578 C PHE A 98 -5.391 1.672 5.450 1.00 1.00 C ATOM 1579 O PHE A 98 -4.723 2.247 6.286 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.734 1.761 3.577 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.244 0.421 4.072 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.732 -0.759 3.499 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.297 0.357 5.104 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.276 -2.002 3.956 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.840 -0.885 5.559 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.330 -2.065 4.985 1.00 1.00 C ATOM 0 H PHE A 98 -4.894 4.058 3.863 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.820 1.262 3.375 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.617 1.824 2.495 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.133 2.560 4.010 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.461 -0.711 2.704 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -1.920 1.267 5.548 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.655 -2.912 3.514 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.109 -0.934 6.353 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.978 -3.023 5.337 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.298 0.800 5.792 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.530 0.494 7.232 1.00 1.00 C ATOM 1598 C ALA A 99 -5.316 -0.242 7.809 1.00 1.00 C ATOM 1599 O ALA A 99 -4.605 0.280 8.645 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.776 -0.388 7.365 1.00 1.00 C ATOM 0 H ALA A 99 -6.888 0.286 5.138 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.677 1.424 7.782 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -7.950 -0.615 8.417 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.640 0.139 6.959 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.625 -1.316 6.814 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.077 -1.448 7.373 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.911 -2.213 7.900 1.00 1.00 C ATOM 1608 C GLY A 100 -3.780 -3.535 7.142 1.00 1.00 C ATOM 1609 O GLY A 100 -4.227 -3.664 6.020 1.00 1.00 O ATOM 0 H GLY A 100 -5.638 -1.937 6.675 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -2.999 -1.627 7.790 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.040 -2.404 8.965 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.168 -4.519 7.747 1.00 1.00 N ATOM 1614 CA VAL A 101 -3.001 -5.839 7.067 1.00 1.00 C ATOM 1615 C VAL A 101 -3.933 -6.869 7.710 1.00 1.00 C ATOM 1616 O VAL A 101 -4.091 -6.912 8.914 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.552 -6.305 7.214 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -1.387 -7.678 6.559 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.623 -5.300 6.529 1.00 1.00 C ATOM 0 H VAL A 101 -2.775 -4.466 8.687 1.00 1.00 H new ATOM 0 HA VAL A 101 -3.248 -5.736 6.010 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.299 -6.375 8.272 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.354 -8.010 6.664 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -2.049 -8.395 7.045 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.640 -7.609 5.501 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.410 -5.631 6.633 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -0.878 -5.231 5.471 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.739 -4.321 6.994 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.552 -7.700 6.915 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.473 -8.728 7.479 1.00 1.00 C ATOM 1631 C GLY A 102 -6.856 -8.112 7.698 1.00 1.00 C ATOM 1632 O GLY A 102 -7.156 -7.045 7.201 1.00 1.00 O ATOM 0 H GLY A 102 -4.459 -7.711 5.899 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -5.545 -9.578 6.800 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -5.079 -9.106 8.422 1.00 1.00 H new ATOM 1636 N SER A 103 -7.702 -8.777 8.436 1.00 1.00 N ATOM 1637 CA SER A 103 -9.065 -8.231 8.684 1.00 1.00 C ATOM 1638 C SER A 103 -8.960 -6.921 9.467 1.00 1.00 C ATOM 1639 O SER A 103 -8.160 -6.790 10.373 1.00 1.00 O ATOM 1640 CB SER A 103 -9.881 -9.243 9.491 1.00 1.00 C ATOM 1641 OG SER A 103 -9.238 -9.477 10.736 1.00 1.00 O ATOM 0 H SER A 103 -7.507 -9.675 8.878 1.00 1.00 H new ATOM 0 HA SER A 103 -9.558 -8.043 7.730 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.890 -8.866 9.655 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.976 -10.176 8.936 1.00 1.00 H new ATOM 0 HG SER A 103 -9.759 -10.124 11.257 1.00 1.00 H new