USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 849 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 2 GLN : amide:sc= -0.558 K(o=-1.3,f=-0.53) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.741 K(o=-1.3,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 31:sc= 0.262 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc=-0.00979 (180deg=-0.00979) USER MOD Single : A 11 HIS : no HD1:sc= -0.516 K(o=-0.52,f=-1.5) USER MOD Single : A 13 THR OG1 : rot 11:sc= -0.527 USER MOD Single : A 15 THR OG1 : rot 30:sc= 0.234 USER MOD Single : A 22 ASN : amide:sc=-0.00535 X(o=-0.0054,f=-0.14) USER MOD Single : A 24 MET CE :methyl 139:sc= 0 (180deg=-0.218) USER MOD Single : A 26 THR OG1 : rot 92:sc= 0.0813 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -5.66! C(o=-5.7!,f=-9.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.174 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.332 USER MOD Single : A 61 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.017) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.46 K(o=-2.5,f=-7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 0.35 (180deg=0.215) USER MOD Single : A 79 TYR OH : rot -98:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 33:sc= 0.847 USER MOD Single : A 85 SER OG : rot 35:sc= 0.978 USER MOD Single : A 86 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.56) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.984 15.677 0.152 1.00 0.00 N ATOM 2 CA MET A 1 -6.696 14.683 1.005 1.00 0.00 C ATOM 3 C MET A 1 -6.310 13.269 0.568 1.00 0.00 C ATOM 4 O MET A 1 -6.320 12.954 -0.612 1.00 0.00 O ATOM 5 CB MET A 1 -8.207 14.865 0.850 1.00 0.00 C ATOM 6 CG MET A 1 -8.917 14.360 2.110 1.00 0.00 C ATOM 7 SD MET A 1 -9.304 15.761 3.188 1.00 0.00 S ATOM 8 CE MET A 1 -11.007 16.011 2.628 1.00 0.00 C ATOM 0 H1 MET A 1 -6.246 16.639 0.448 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.957 15.550 0.255 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.252 15.536 -0.843 1.00 0.00 H new ATOM 0 HA MET A 1 -6.416 14.834 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.442 15.916 0.685 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.562 14.318 -0.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.832 13.833 1.838 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.283 13.647 2.636 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.450 16.845 3.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.010 16.231 1.560 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.588 15.107 2.814 1.00 0.00 H new ATOM 20 N GLN A 2 -5.976 12.423 1.517 1.00 0.00 N ATOM 21 CA GLN A 2 -5.586 11.013 1.197 1.00 0.00 C ATOM 22 C GLN A 2 -6.762 10.305 0.520 1.00 0.00 C ATOM 23 O GLN A 2 -7.794 10.089 1.135 1.00 0.00 O ATOM 24 CB GLN A 2 -5.232 10.283 2.494 1.00 0.00 C ATOM 25 CG GLN A 2 -3.724 10.371 2.736 1.00 0.00 C ATOM 26 CD GLN A 2 -3.324 9.378 3.828 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.678 9.741 4.790 1.00 0.00 O ATOM 28 NE2 GLN A 2 -3.688 8.129 3.719 1.00 0.00 N ATOM 0 H GLN A 2 -5.957 12.654 2.510 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.725 11.011 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.772 10.726 3.331 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.540 9.239 2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.184 10.152 1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.451 11.384 3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.231 7.825 2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.430 7.458 4.442 1.00 0.00 H new ATOM 37 N ASP A 3 -6.609 9.951 -0.740 1.00 0.00 N ATOM 38 CA ASP A 3 -7.711 9.260 -1.483 1.00 0.00 C ATOM 39 C ASP A 3 -7.149 8.074 -2.277 1.00 0.00 C ATOM 40 O ASP A 3 -6.039 7.627 -2.041 1.00 0.00 O ATOM 41 CB ASP A 3 -8.371 10.257 -2.445 1.00 0.00 C ATOM 42 CG ASP A 3 -9.884 10.026 -2.470 1.00 0.00 C ATOM 43 OD1 ASP A 3 -10.285 8.897 -2.701 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.613 10.981 -2.260 1.00 0.00 O ATOM 0 H ASP A 3 -5.762 10.114 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.449 8.889 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.155 11.278 -2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.959 10.138 -3.447 1.00 0.00 H new ATOM 49 N TRP A 4 -7.924 7.573 -3.220 1.00 0.00 N ATOM 50 CA TRP A 4 -7.491 6.415 -4.071 1.00 0.00 C ATOM 51 C TRP A 4 -6.125 6.722 -4.707 1.00 0.00 C ATOM 52 O TRP A 4 -5.358 5.821 -4.992 1.00 0.00 O ATOM 53 CB TRP A 4 -8.546 6.193 -5.170 1.00 0.00 C ATOM 54 CG TRP A 4 -8.120 5.097 -6.100 1.00 0.00 C ATOM 55 CD1 TRP A 4 -7.802 5.265 -7.405 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.963 3.679 -5.822 1.00 0.00 C ATOM 57 NE1 TRP A 4 -7.461 4.040 -7.942 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.544 3.029 -7.007 1.00 0.00 C ATOM 59 CE3 TRP A 4 -8.142 2.901 -4.668 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.313 1.655 -7.042 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -7.909 1.516 -4.700 1.00 0.00 C ATOM 62 CH2 TRP A 4 -7.494 0.894 -5.884 1.00 0.00 C ATOM 0 H TRP A 4 -8.856 7.927 -3.437 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.398 5.516 -3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.504 5.939 -4.716 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.694 7.116 -5.731 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.813 6.204 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.181 3.899 -8.913 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.461 3.370 -3.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.996 1.181 -7.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.051 0.927 -3.806 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.314 -0.171 -5.902 1.00 0.00 H new ATOM 73 N ALA A 5 -5.835 7.987 -4.930 1.00 0.00 N ATOM 74 CA ALA A 5 -4.531 8.384 -5.550 1.00 0.00 C ATOM 75 C ALA A 5 -3.375 8.001 -4.615 1.00 0.00 C ATOM 76 O ALA A 5 -2.389 7.411 -5.044 1.00 0.00 O ATOM 77 CB ALA A 5 -4.527 9.900 -5.793 1.00 0.00 C ATOM 0 H ALA A 5 -6.454 8.766 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.404 7.865 -6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.579 10.194 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.345 10.163 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.654 10.421 -4.844 1.00 0.00 H new ATOM 83 N THR A 6 -3.502 8.323 -3.342 1.00 0.00 N ATOM 84 CA THR A 6 -2.430 7.985 -2.355 1.00 0.00 C ATOM 85 C THR A 6 -2.377 6.472 -2.196 1.00 0.00 C ATOM 86 O THR A 6 -1.318 5.875 -2.236 1.00 0.00 O ATOM 87 CB THR A 6 -2.742 8.635 -1.002 1.00 0.00 C ATOM 88 OG1 THR A 6 -4.144 8.617 -0.767 1.00 0.00 O ATOM 89 CG2 THR A 6 -2.241 10.080 -0.999 1.00 0.00 C ATOM 0 H THR A 6 -4.309 8.808 -2.948 1.00 0.00 H new ATOM 0 HA THR A 6 -1.469 8.358 -2.710 1.00 0.00 H new ATOM 0 HB THR A 6 -2.240 8.075 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.539 7.833 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.464 10.540 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.164 10.092 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.738 10.639 -1.792 1.00 0.00 H new ATOM 97 N PHE A 7 -3.528 5.861 -2.033 1.00 0.00 N ATOM 98 CA PHE A 7 -3.608 4.375 -1.882 1.00 0.00 C ATOM 99 C PHE A 7 -3.053 3.714 -3.152 1.00 0.00 C ATOM 100 O PHE A 7 -2.554 2.603 -3.106 1.00 0.00 O ATOM 101 CB PHE A 7 -5.082 3.984 -1.677 1.00 0.00 C ATOM 102 CG PHE A 7 -5.241 2.479 -1.647 1.00 0.00 C ATOM 103 CD1 PHE A 7 -5.018 1.768 -0.463 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.622 1.800 -2.809 1.00 0.00 C ATOM 105 CE1 PHE A 7 -5.171 0.376 -0.443 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.779 0.409 -2.790 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.553 -0.303 -1.606 1.00 0.00 C ATOM 0 H PHE A 7 -4.428 6.339 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.022 4.042 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.450 4.411 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.689 4.402 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.728 2.292 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.795 2.350 -3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.994 -0.174 0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.074 -0.114 -3.688 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.673 -1.376 -1.590 1.00 0.00 H new ATOM 117 N LYS A 8 -3.140 4.396 -4.277 1.00 0.00 N ATOM 118 CA LYS A 8 -2.624 3.828 -5.560 1.00 0.00 C ATOM 119 C LYS A 8 -1.112 3.640 -5.453 1.00 0.00 C ATOM 120 O LYS A 8 -0.596 2.570 -5.728 1.00 0.00 O ATOM 121 CB LYS A 8 -2.939 4.785 -6.714 1.00 0.00 C ATOM 122 CG LYS A 8 -2.845 4.032 -8.048 1.00 0.00 C ATOM 123 CD LYS A 8 -4.023 4.420 -8.948 1.00 0.00 C ATOM 124 CE LYS A 8 -4.008 3.566 -10.220 1.00 0.00 C ATOM 125 NZ LYS A 8 -3.787 4.444 -11.404 1.00 0.00 N ATOM 0 H LYS A 8 -3.550 5.327 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.103 2.867 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.938 5.203 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.240 5.622 -6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.904 4.268 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.850 2.957 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.963 4.277 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.961 5.477 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.220 2.816 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.951 3.030 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.777 3.865 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.554 5.144 -11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.876 4.936 -11.306 1.00 0.00 H new ATOM 139 N LYS A 9 -0.403 4.674 -5.051 1.00 0.00 N ATOM 140 CA LYS A 9 1.088 4.570 -4.916 1.00 0.00 C ATOM 141 C LYS A 9 1.453 3.885 -3.592 1.00 0.00 C ATOM 142 O LYS A 9 2.560 3.398 -3.429 1.00 0.00 O ATOM 143 CB LYS A 9 1.702 5.970 -4.937 1.00 0.00 C ATOM 144 CG LYS A 9 1.717 6.505 -6.371 1.00 0.00 C ATOM 145 CD LYS A 9 2.020 8.005 -6.351 1.00 0.00 C ATOM 146 CE LYS A 9 2.358 8.479 -7.766 1.00 0.00 C ATOM 147 NZ LYS A 9 3.836 8.447 -7.960 1.00 0.00 N ATOM 0 H LYS A 9 -0.794 5.585 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 9 1.476 3.980 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.129 6.639 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.716 5.939 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.469 5.979 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.754 6.324 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.160 8.555 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.854 8.209 -5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.870 7.840 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.982 9.490 -7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.067 8.769 -8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.291 9.074 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.183 7.475 -7.828 1.00 0.00 H new ATOM 161 N LYS A 10 0.539 3.875 -2.644 1.00 0.00 N ATOM 162 CA LYS A 10 0.812 3.263 -1.307 1.00 0.00 C ATOM 163 C LYS A 10 0.596 1.744 -1.308 1.00 0.00 C ATOM 164 O LYS A 10 1.441 1.007 -0.826 1.00 0.00 O ATOM 165 CB LYS A 10 -0.123 3.901 -0.277 1.00 0.00 C ATOM 166 CG LYS A 10 0.578 5.091 0.383 1.00 0.00 C ATOM 167 CD LYS A 10 -0.466 6.107 0.852 1.00 0.00 C ATOM 168 CE LYS A 10 0.088 6.898 2.038 1.00 0.00 C ATOM 169 NZ LYS A 10 0.809 8.103 1.542 1.00 0.00 N ATOM 0 H LYS A 10 -0.395 4.271 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 10 1.857 3.446 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.043 4.230 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.404 3.167 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.175 4.751 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.264 5.559 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.721 6.784 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.384 5.594 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.724 7.195 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.763 6.272 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.185 8.640 2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.594 7.809 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.152 8.703 1.003 1.00 0.00 H new ATOM 183 N HIS A 11 -0.543 1.276 -1.784 1.00 0.00 N ATOM 184 CA HIS A 11 -0.837 -0.199 -1.747 1.00 0.00 C ATOM 185 C HIS A 11 -0.902 -0.818 -3.153 1.00 0.00 C ATOM 186 O HIS A 11 -0.925 -2.032 -3.276 1.00 0.00 O ATOM 187 CB HIS A 11 -2.189 -0.415 -1.059 1.00 0.00 C ATOM 188 CG HIS A 11 -2.016 -0.507 0.437 1.00 0.00 C ATOM 189 ND1 HIS A 11 -0.989 0.133 1.114 1.00 0.00 N ATOM 190 CD2 HIS A 11 -2.751 -1.153 1.402 1.00 0.00 C ATOM 191 CE1 HIS A 11 -1.135 -0.137 2.424 1.00 0.00 C ATOM 192 NE2 HIS A 11 -2.192 -0.916 2.655 1.00 0.00 N ATOM 0 H HIS A 11 -1.278 1.851 -2.195 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.027 -0.684 -1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.862 0.407 -1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.652 -1.328 -1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.629 -1.754 1.217 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.476 0.233 3.195 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.521 -1.264 3.556 1.00 0.00 H new ATOM 200 N LEU A 12 -0.957 -0.021 -4.204 1.00 0.00 N ATOM 201 CA LEU A 12 -1.049 -0.615 -5.586 1.00 0.00 C ATOM 202 C LEU A 12 0.262 -0.448 -6.355 1.00 0.00 C ATOM 203 O LEU A 12 0.815 0.635 -6.441 1.00 0.00 O ATOM 204 CB LEU A 12 -2.180 0.045 -6.382 1.00 0.00 C ATOM 205 CG LEU A 12 -3.452 0.096 -5.536 1.00 0.00 C ATOM 206 CD1 LEU A 12 -4.531 0.880 -6.286 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.944 -1.330 -5.271 1.00 0.00 C ATOM 0 H LEU A 12 -0.942 0.998 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.254 -1.679 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.888 1.053 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.365 -0.514 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.240 0.589 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.439 0.917 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.179 1.894 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.745 0.388 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.851 -1.296 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.157 -1.823 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.174 -1.887 -4.737 1.00 0.00 H new ATOM 219 N THR A 13 0.735 -1.533 -6.933 1.00 0.00 N ATOM 220 CA THR A 13 1.993 -1.506 -7.742 1.00 0.00 C ATOM 221 C THR A 13 1.901 -2.590 -8.817 1.00 0.00 C ATOM 222 O THR A 13 1.331 -3.645 -8.586 1.00 0.00 O ATOM 223 CB THR A 13 3.201 -1.775 -6.844 1.00 0.00 C ATOM 224 OG1 THR A 13 2.911 -2.857 -5.971 1.00 0.00 O ATOM 225 CG2 THR A 13 3.518 -0.521 -6.028 1.00 0.00 C ATOM 0 H THR A 13 0.291 -2.449 -6.874 1.00 0.00 H new ATOM 0 HA THR A 13 2.114 -0.526 -8.204 1.00 0.00 H new ATOM 0 HB THR A 13 4.064 -2.032 -7.459 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.084 -3.297 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.379 -0.712 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.744 0.305 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.658 -0.261 -5.411 1.00 0.00 H new ATOM 233 N ASP A 14 2.449 -2.331 -9.985 1.00 0.00 N ATOM 234 CA ASP A 14 2.398 -3.331 -11.097 1.00 0.00 C ATOM 235 C ASP A 14 3.793 -3.925 -11.331 1.00 0.00 C ATOM 236 O ASP A 14 4.094 -4.415 -12.410 1.00 0.00 O ATOM 237 CB ASP A 14 1.898 -2.640 -12.370 1.00 0.00 C ATOM 238 CG ASP A 14 0.428 -2.253 -12.193 1.00 0.00 C ATOM 239 OD1 ASP A 14 -0.416 -3.112 -12.379 1.00 0.00 O ATOM 240 OD2 ASP A 14 0.172 -1.103 -11.872 1.00 0.00 O ATOM 0 H ASP A 14 2.932 -1.462 -10.214 1.00 0.00 H new ATOM 0 HA ASP A 14 1.717 -4.139 -10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.497 -1.753 -12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.010 -3.305 -13.226 1.00 0.00 H new ATOM 245 N THR A 15 4.635 -3.893 -10.317 1.00 0.00 N ATOM 246 CA THR A 15 6.016 -4.458 -10.442 1.00 0.00 C ATOM 247 C THR A 15 6.412 -5.129 -9.125 1.00 0.00 C ATOM 248 O THR A 15 6.411 -4.499 -8.080 1.00 0.00 O ATOM 249 CB THR A 15 7.006 -3.332 -10.753 1.00 0.00 C ATOM 250 OG1 THR A 15 6.818 -2.270 -9.828 1.00 0.00 O ATOM 251 CG2 THR A 15 6.773 -2.821 -12.174 1.00 0.00 C ATOM 0 H THR A 15 4.418 -3.495 -9.403 1.00 0.00 H new ATOM 0 HA THR A 15 6.034 -5.191 -11.248 1.00 0.00 H new ATOM 0 HB THR A 15 8.025 -3.711 -10.670 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.495 -2.631 -8.976 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.479 -2.020 -12.393 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.919 -3.636 -12.882 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.755 -2.442 -12.262 1.00 0.00 H new ATOM 259 N TRP A 16 6.758 -6.399 -9.181 1.00 0.00 N ATOM 260 CA TRP A 16 7.172 -7.141 -7.949 1.00 0.00 C ATOM 261 C TRP A 16 8.453 -6.510 -7.403 1.00 0.00 C ATOM 262 O TRP A 16 8.674 -6.475 -6.203 1.00 0.00 O ATOM 263 CB TRP A 16 7.434 -8.612 -8.304 1.00 0.00 C ATOM 264 CG TRP A 16 7.792 -9.390 -7.070 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.193 -9.259 -5.862 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.819 -10.413 -6.906 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.785 -10.136 -4.970 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.792 -10.867 -5.566 1.00 0.00 C ATOM 269 CE3 TRP A 16 9.763 -10.984 -7.780 1.00 0.00 C ATOM 270 CZ2 TRP A 16 9.668 -11.854 -5.111 1.00 0.00 C ATOM 271 CZ3 TRP A 16 10.646 -11.976 -7.323 1.00 0.00 C ATOM 272 CH2 TRP A 16 10.598 -12.411 -5.991 1.00 0.00 C ATOM 0 H TRP A 16 6.770 -6.954 -10.037 1.00 0.00 H new ATOM 0 HA TRP A 16 6.384 -7.088 -7.198 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.549 -9.044 -8.770 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.243 -8.679 -9.032 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.385 -8.580 -5.632 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.511 -10.230 -3.992 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.809 -10.657 -8.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 9.627 -12.185 -4.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 11.367 -12.407 -8.002 1.00 0.00 H new ATOM 0 HH2 TRP A 16 11.279 -13.175 -5.646 1.00 0.00 H new ATOM 283 N ASP A 17 9.289 -6.015 -8.289 1.00 0.00 N ATOM 284 CA ASP A 17 10.572 -5.374 -7.872 1.00 0.00 C ATOM 285 C ASP A 17 10.398 -3.854 -7.884 1.00 0.00 C ATOM 286 O ASP A 17 10.435 -3.227 -8.932 1.00 0.00 O ATOM 287 CB ASP A 17 11.673 -5.778 -8.853 1.00 0.00 C ATOM 288 CG ASP A 17 12.211 -7.158 -8.472 1.00 0.00 C ATOM 289 OD1 ASP A 17 11.418 -8.083 -8.405 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.406 -7.267 -8.251 1.00 0.00 O ATOM 0 H ASP A 17 9.130 -6.030 -9.296 1.00 0.00 H new ATOM 0 HA ASP A 17 10.845 -5.698 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.281 -5.796 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.478 -5.044 -8.835 1.00 0.00 H new ATOM 295 N VAL A 18 10.201 -3.266 -6.723 1.00 0.00 N ATOM 296 CA VAL A 18 10.011 -1.788 -6.629 1.00 0.00 C ATOM 297 C VAL A 18 11.348 -1.119 -6.311 1.00 0.00 C ATOM 298 O VAL A 18 12.278 -1.757 -5.845 1.00 0.00 O ATOM 299 CB VAL A 18 8.995 -1.482 -5.519 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.800 0.032 -5.377 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.655 -2.131 -5.874 1.00 0.00 C ATOM 0 H VAL A 18 10.164 -3.757 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 18 9.639 -1.402 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 18 9.368 -1.881 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.077 0.233 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.752 0.499 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.432 0.441 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.928 -1.918 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.295 -1.729 -6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.786 -3.209 -5.964 1.00 0.00 H new ATOM 311 N ASP A 19 11.429 0.167 -6.560 1.00 0.00 N ATOM 312 CA ASP A 19 12.677 0.935 -6.282 1.00 0.00 C ATOM 313 C ASP A 19 12.460 1.789 -5.033 1.00 0.00 C ATOM 314 O ASP A 19 11.835 2.837 -5.087 1.00 0.00 O ATOM 315 CB ASP A 19 12.998 1.833 -7.475 1.00 0.00 C ATOM 316 CG ASP A 19 13.830 1.051 -8.495 1.00 0.00 C ATOM 317 OD1 ASP A 19 14.977 0.763 -8.196 1.00 0.00 O ATOM 318 OD2 ASP A 19 13.304 0.752 -9.553 1.00 0.00 O ATOM 0 H ASP A 19 10.668 0.723 -6.951 1.00 0.00 H new ATOM 0 HA ASP A 19 13.510 0.251 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.076 2.186 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.546 2.715 -7.143 1.00 0.00 H new ATOM 323 N CYS A 20 12.967 1.334 -3.911 1.00 0.00 N ATOM 324 CA CYS A 20 12.804 2.082 -2.624 1.00 0.00 C ATOM 325 C CYS A 20 13.599 3.390 -2.681 1.00 0.00 C ATOM 326 O CYS A 20 13.080 4.455 -2.388 1.00 0.00 O ATOM 327 CB CYS A 20 13.336 1.231 -1.468 1.00 0.00 C ATOM 328 SG CYS A 20 12.694 -0.462 -1.576 1.00 0.00 S ATOM 0 H CYS A 20 13.494 0.464 -3.832 1.00 0.00 H new ATOM 0 HA CYS A 20 11.747 2.300 -2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.426 1.215 -1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 20 13.045 1.677 -0.517 1.00 0.00 H new ATOM 333 N ASP A 21 14.861 3.297 -3.034 1.00 0.00 N ATOM 334 CA ASP A 21 15.751 4.503 -3.100 1.00 0.00 C ATOM 335 C ASP A 21 15.244 5.522 -4.130 1.00 0.00 C ATOM 336 O ASP A 21 15.464 6.713 -3.973 1.00 0.00 O ATOM 337 CB ASP A 21 17.164 4.057 -3.485 1.00 0.00 C ATOM 338 CG ASP A 21 17.112 3.249 -4.783 1.00 0.00 C ATOM 339 OD1 ASP A 21 16.785 2.075 -4.715 1.00 0.00 O ATOM 340 OD2 ASP A 21 17.400 3.817 -5.824 1.00 0.00 O ATOM 0 H ASP A 21 15.320 2.421 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 21 15.752 4.983 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.809 4.927 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.596 3.454 -2.686 1.00 0.00 H new ATOM 345 N ASN A 22 14.584 5.069 -5.179 1.00 0.00 N ATOM 346 CA ASN A 22 14.075 6.013 -6.229 1.00 0.00 C ATOM 347 C ASN A 22 12.858 6.767 -5.693 1.00 0.00 C ATOM 348 O ASN A 22 12.748 7.971 -5.858 1.00 0.00 O ATOM 349 CB ASN A 22 13.691 5.226 -7.486 1.00 0.00 C ATOM 350 CG ASN A 22 13.794 6.133 -8.714 1.00 0.00 C ATOM 351 OD1 ASN A 22 14.849 6.657 -9.010 1.00 0.00 O ATOM 352 ND2 ASN A 22 12.737 6.335 -9.450 1.00 0.00 N ATOM 0 H ASN A 22 14.378 4.085 -5.350 1.00 0.00 H new ATOM 0 HA ASN A 22 14.856 6.730 -6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.348 4.364 -7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.676 4.842 -7.390 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.796 6.933 -10.274 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.851 5.895 -9.202 1.00 0.00 H new ATOM 359 N LEU A 23 11.958 6.063 -5.045 1.00 0.00 N ATOM 360 CA LEU A 23 10.734 6.711 -4.471 1.00 0.00 C ATOM 361 C LEU A 23 11.007 7.206 -3.044 1.00 0.00 C ATOM 362 O LEU A 23 10.107 7.683 -2.380 1.00 0.00 O ATOM 363 CB LEU A 23 9.596 5.681 -4.430 1.00 0.00 C ATOM 364 CG LEU A 23 8.895 5.599 -5.794 1.00 0.00 C ATOM 365 CD1 LEU A 23 8.267 6.953 -6.138 1.00 0.00 C ATOM 366 CD2 LEU A 23 9.907 5.209 -6.877 1.00 0.00 C ATOM 0 H LEU A 23 12.020 5.057 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 23 10.458 7.561 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.993 4.703 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.875 5.957 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 23 8.112 4.842 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.771 6.889 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.537 7.220 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.045 7.715 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.403 5.153 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.697 5.958 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.341 4.238 -6.637 1.00 0.00 H new ATOM 378 N MET A 24 12.229 7.081 -2.563 1.00 0.00 N ATOM 379 CA MET A 24 12.561 7.518 -1.171 1.00 0.00 C ATOM 380 C MET A 24 12.477 9.060 -1.009 1.00 0.00 C ATOM 381 O MET A 24 11.913 9.512 -0.027 1.00 0.00 O ATOM 382 CB MET A 24 13.971 7.006 -0.808 1.00 0.00 C ATOM 383 CG MET A 24 14.402 7.532 0.566 1.00 0.00 C ATOM 384 SD MET A 24 15.343 9.065 0.357 1.00 0.00 S ATOM 385 CE MET A 24 16.969 8.304 0.124 1.00 0.00 C ATOM 0 H MET A 24 13.014 6.691 -3.085 1.00 0.00 H new ATOM 0 HA MET A 24 11.825 7.092 -0.489 1.00 0.00 H new ATOM 0 HB2 MET A 24 13.978 5.916 -0.804 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.686 7.326 -1.566 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.526 7.712 1.189 1.00 0.00 H new ATOM 0 HG3 MET A 24 15.010 6.786 1.078 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.507 8.829 -0.665 1.00 0.00 H new ATOM 0 HE2 MET A 24 17.536 8.366 1.053 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.844 7.258 -0.156 1.00 0.00 H new ATOM 395 N PRO A 25 13.063 9.833 -1.922 1.00 0.00 N ATOM 396 CA PRO A 25 13.075 11.311 -1.804 1.00 0.00 C ATOM 397 C PRO A 25 11.770 11.971 -2.280 1.00 0.00 C ATOM 398 O PRO A 25 11.625 13.178 -2.162 1.00 0.00 O ATOM 399 CB PRO A 25 14.224 11.735 -2.721 1.00 0.00 C ATOM 400 CG PRO A 25 14.416 10.587 -3.743 1.00 0.00 C ATOM 401 CD PRO A 25 13.764 9.336 -3.133 1.00 0.00 C ATOM 0 HA PRO A 25 13.186 11.617 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.991 12.671 -3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.136 11.902 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.953 10.838 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.475 10.415 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.068 8.871 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.511 8.584 -2.878 1.00 0.00 H new ATOM 409 N THR A 26 10.838 11.217 -2.829 1.00 0.00 N ATOM 410 CA THR A 26 9.565 11.830 -3.328 1.00 0.00 C ATOM 411 C THR A 26 8.810 12.482 -2.170 1.00 0.00 C ATOM 412 O THR A 26 9.234 12.433 -1.027 1.00 0.00 O ATOM 413 CB THR A 26 8.663 10.774 -3.986 1.00 0.00 C ATOM 414 OG1 THR A 26 9.440 9.666 -4.430 1.00 0.00 O ATOM 415 CG2 THR A 26 7.936 11.392 -5.186 1.00 0.00 C ATOM 0 H THR A 26 10.907 10.207 -2.951 1.00 0.00 H new ATOM 0 HA THR A 26 9.825 12.583 -4.072 1.00 0.00 H new ATOM 0 HB THR A 26 7.936 10.429 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.477 8.988 -3.723 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.297 10.641 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.325 12.230 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.668 11.745 -5.912 1.00 0.00 H new ATOM 423 N SER A 27 7.694 13.090 -2.485 1.00 0.00 N ATOM 424 CA SER A 27 6.850 13.776 -1.451 1.00 0.00 C ATOM 425 C SER A 27 5.895 12.775 -0.787 1.00 0.00 C ATOM 426 O SER A 27 5.414 13.012 0.309 1.00 0.00 O ATOM 427 CB SER A 27 6.040 14.893 -2.115 1.00 0.00 C ATOM 428 OG SER A 27 6.718 16.132 -1.942 1.00 0.00 O ATOM 0 H SER A 27 7.323 13.142 -3.434 1.00 0.00 H new ATOM 0 HA SER A 27 7.503 14.197 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.910 14.682 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.044 14.946 -1.676 1.00 0.00 H new ATOM 0 HG SER A 27 6.203 16.849 -2.367 1.00 0.00 H new ATOM 434 N LEU A 28 5.623 11.663 -1.444 1.00 0.00 N ATOM 435 CA LEU A 28 4.699 10.632 -0.868 1.00 0.00 C ATOM 436 C LEU A 28 5.467 9.842 0.180 1.00 0.00 C ATOM 437 O LEU A 28 4.967 9.564 1.258 1.00 0.00 O ATOM 438 CB LEU A 28 4.226 9.689 -1.980 1.00 0.00 C ATOM 439 CG LEU A 28 3.177 8.723 -1.426 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.800 9.386 -1.463 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.152 7.453 -2.282 1.00 0.00 C ATOM 0 H LEU A 28 6.006 11.428 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 28 3.829 11.111 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.805 10.265 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.072 9.131 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 28 3.429 8.466 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.054 8.697 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.816 10.291 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.548 9.644 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.405 6.764 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.900 7.712 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.133 6.978 -2.257 1.00 0.00 H new ATOM 453 N PHE A 29 6.688 9.505 -0.143 1.00 0.00 N ATOM 454 CA PHE A 29 7.562 8.750 0.793 1.00 0.00 C ATOM 455 C PHE A 29 8.291 9.759 1.686 1.00 0.00 C ATOM 456 O PHE A 29 8.339 9.607 2.892 1.00 0.00 O ATOM 457 CB PHE A 29 8.580 7.956 -0.034 1.00 0.00 C ATOM 458 CG PHE A 29 8.376 6.467 0.145 1.00 0.00 C ATOM 459 CD1 PHE A 29 7.096 5.904 0.040 1.00 0.00 C ATOM 460 CD2 PHE A 29 9.479 5.648 0.403 1.00 0.00 C ATOM 461 CE1 PHE A 29 6.928 4.520 0.191 1.00 0.00 C ATOM 462 CE2 PHE A 29 9.309 4.269 0.554 1.00 0.00 C ATOM 463 CZ PHE A 29 8.036 3.705 0.448 1.00 0.00 C ATOM 0 H PHE A 29 7.123 9.728 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 29 6.980 8.066 1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.481 8.217 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.591 8.228 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.242 6.535 -0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.465 6.082 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.944 4.083 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.163 3.639 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.907 2.639 0.564 1.00 0.00 H new ATOM 473 N ASP A 30 8.851 10.794 1.080 1.00 0.00 N ATOM 474 CA ASP A 30 9.595 11.858 1.850 1.00 0.00 C ATOM 475 C ASP A 30 10.541 11.206 2.887 1.00 0.00 C ATOM 476 O ASP A 30 10.564 11.577 4.055 1.00 0.00 O ATOM 477 CB ASP A 30 8.581 12.779 2.546 1.00 0.00 C ATOM 478 CG ASP A 30 9.280 14.067 2.984 1.00 0.00 C ATOM 479 OD1 ASP A 30 9.881 14.710 2.139 1.00 0.00 O ATOM 480 OD2 ASP A 30 9.200 14.392 4.157 1.00 0.00 O ATOM 0 H ASP A 30 8.823 10.947 0.072 1.00 0.00 H new ATOM 0 HA ASP A 30 10.202 12.448 1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.759 13.011 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.149 12.275 3.410 1.00 0.00 H new ATOM 485 N CYS A 31 11.309 10.224 2.454 1.00 0.00 N ATOM 486 CA CYS A 31 12.253 9.512 3.376 1.00 0.00 C ATOM 487 C CYS A 31 11.431 8.828 4.485 1.00 0.00 C ATOM 488 O CYS A 31 11.863 8.715 5.622 1.00 0.00 O ATOM 489 CB CYS A 31 13.239 10.522 3.984 1.00 0.00 C ATOM 490 SG CYS A 31 14.933 10.045 3.551 1.00 0.00 S ATOM 0 H CYS A 31 11.319 9.886 1.492 1.00 0.00 H new ATOM 0 HA CYS A 31 12.823 8.761 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.025 11.524 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.124 10.552 5.067 1.00 0.00 H new ATOM 495 N LYS A 32 10.238 8.383 4.142 1.00 0.00 N ATOM 496 CA LYS A 32 9.333 7.713 5.133 1.00 0.00 C ATOM 497 C LYS A 32 10.042 6.524 5.787 1.00 0.00 C ATOM 498 O LYS A 32 11.209 6.270 5.540 1.00 0.00 O ATOM 499 CB LYS A 32 8.070 7.220 4.413 1.00 0.00 C ATOM 500 CG LYS A 32 6.901 8.166 4.707 1.00 0.00 C ATOM 501 CD LYS A 32 6.142 7.676 5.941 1.00 0.00 C ATOM 502 CE LYS A 32 5.277 6.469 5.566 1.00 0.00 C ATOM 503 NZ LYS A 32 5.225 5.520 6.714 1.00 0.00 N ATOM 0 H LYS A 32 9.851 8.459 3.201 1.00 0.00 H new ATOM 0 HA LYS A 32 9.064 8.431 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.249 7.171 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.824 6.210 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.272 9.177 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.230 8.209 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.845 7.402 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.516 8.476 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.271 6.796 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.689 5.972 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.638 4.700 6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.187 5.199 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.813 5.998 7.541 1.00 0.00 H new ATOM 517 N ASP A 33 9.322 5.807 6.621 1.00 0.00 N ATOM 518 CA ASP A 33 9.895 4.618 7.329 1.00 0.00 C ATOM 519 C ASP A 33 9.864 3.399 6.403 1.00 0.00 C ATOM 520 O ASP A 33 10.899 2.894 5.999 1.00 0.00 O ATOM 521 CB ASP A 33 9.066 4.324 8.580 1.00 0.00 C ATOM 522 CG ASP A 33 9.394 5.350 9.667 1.00 0.00 C ATOM 523 OD1 ASP A 33 9.356 6.533 9.368 1.00 0.00 O ATOM 524 OD2 ASP A 33 9.677 4.935 10.778 1.00 0.00 O ATOM 0 H ASP A 33 8.345 6.001 6.843 1.00 0.00 H new ATOM 0 HA ASP A 33 10.926 4.830 7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.003 4.360 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.278 3.317 8.940 1.00 0.00 H new ATOM 529 N LYS A 34 8.677 2.923 6.080 1.00 0.00 N ATOM 530 CA LYS A 34 8.550 1.730 5.185 1.00 0.00 C ATOM 531 C LYS A 34 7.133 1.650 4.604 1.00 0.00 C ATOM 532 O LYS A 34 6.189 2.154 5.190 1.00 0.00 O ATOM 533 CB LYS A 34 8.844 0.458 5.989 1.00 0.00 C ATOM 534 CG LYS A 34 7.869 0.353 7.168 1.00 0.00 C ATOM 535 CD LYS A 34 8.560 -0.328 8.362 1.00 0.00 C ATOM 536 CE LYS A 34 8.666 0.646 9.542 1.00 0.00 C ATOM 537 NZ LYS A 34 8.076 0.015 10.756 1.00 0.00 N ATOM 0 H LYS A 34 7.792 3.314 6.401 1.00 0.00 H new ATOM 0 HA LYS A 34 9.263 1.823 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.750 -0.419 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.871 0.477 6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.524 1.346 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.988 -0.218 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.997 -1.212 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.554 -0.667 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.709 0.904 9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.144 1.574 9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.146 0.673 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.076 -0.210 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.593 -0.859 10.979 1.00 0.00 H new ATOM 551 N ASN A 35 6.990 1.003 3.464 1.00 0.00 N ATOM 552 CA ASN A 35 5.643 0.853 2.823 1.00 0.00 C ATOM 553 C ASN A 35 5.535 -0.538 2.192 1.00 0.00 C ATOM 554 O ASN A 35 6.486 -1.041 1.615 1.00 0.00 O ATOM 555 CB ASN A 35 5.455 1.918 1.733 1.00 0.00 C ATOM 556 CG ASN A 35 4.068 1.765 1.090 1.00 0.00 C ATOM 557 OD1 ASN A 35 3.752 0.727 0.545 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.221 2.755 1.133 1.00 0.00 N ATOM 0 H ASN A 35 7.757 0.571 2.949 1.00 0.00 H new ATOM 0 HA ASN A 35 4.871 0.979 3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.559 2.914 2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.231 1.816 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.298 2.655 0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.481 3.629 1.590 1.00 0.00 H new ATOM 565 N THR A 36 4.368 -1.139 2.282 1.00 0.00 N ATOM 566 CA THR A 36 4.141 -2.485 1.675 1.00 0.00 C ATOM 567 C THR A 36 3.259 -2.312 0.442 1.00 0.00 C ATOM 568 O THR A 36 2.154 -1.802 0.536 1.00 0.00 O ATOM 569 CB THR A 36 3.439 -3.404 2.679 1.00 0.00 C ATOM 570 OG1 THR A 36 4.115 -3.347 3.927 1.00 0.00 O ATOM 571 CG2 THR A 36 3.453 -4.840 2.150 1.00 0.00 C ATOM 0 H THR A 36 3.556 -0.745 2.757 1.00 0.00 H new ATOM 0 HA THR A 36 5.096 -2.933 1.401 1.00 0.00 H new ATOM 0 HB THR A 36 2.408 -3.078 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.665 -3.934 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.954 -5.495 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.932 -4.881 1.194 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.484 -5.168 2.016 1.00 0.00 H new ATOM 579 N PHE A 37 3.746 -2.720 -0.709 1.00 0.00 N ATOM 580 CA PHE A 37 2.955 -2.578 -1.970 1.00 0.00 C ATOM 581 C PHE A 37 2.273 -3.907 -2.299 1.00 0.00 C ATOM 582 O PHE A 37 2.702 -4.959 -1.852 1.00 0.00 O ATOM 583 CB PHE A 37 3.882 -2.186 -3.123 1.00 0.00 C ATOM 584 CG PHE A 37 4.745 -1.010 -2.722 1.00 0.00 C ATOM 585 CD1 PHE A 37 4.158 0.159 -2.219 1.00 0.00 C ATOM 586 CD2 PHE A 37 6.137 -1.090 -2.857 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.963 1.246 -1.852 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.940 -0.004 -2.491 1.00 0.00 C ATOM 589 CZ PHE A 37 6.354 1.163 -1.987 1.00 0.00 C ATOM 0 H PHE A 37 4.664 -3.148 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 37 2.201 -1.803 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.512 -3.032 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.292 -1.930 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.085 0.222 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.591 -1.990 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.511 2.147 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.013 -0.066 -2.597 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.975 1.999 -1.702 1.00 0.00 H new ATOM 599 N ILE A 38 1.215 -3.855 -3.080 1.00 0.00 N ATOM 600 CA ILE A 38 0.470 -5.094 -3.466 1.00 0.00 C ATOM 601 C ILE A 38 0.676 -5.354 -4.960 1.00 0.00 C ATOM 602 O ILE A 38 0.609 -4.438 -5.767 1.00 0.00 O ATOM 603 CB ILE A 38 -1.024 -4.891 -3.180 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.224 -4.396 -1.735 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.766 -6.213 -3.378 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.663 -5.414 -0.736 1.00 0.00 C ATOM 0 H ILE A 38 0.834 -2.993 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 38 0.837 -5.945 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.420 -4.144 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.727 -3.435 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.285 -4.236 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.827 -6.069 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.636 -6.553 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.364 -6.962 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.813 -5.048 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.179 -6.366 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.403 -5.553 -0.918 1.00 0.00 H new ATOM 618 N TYR A 39 0.923 -6.596 -5.326 1.00 0.00 N ATOM 619 CA TYR A 39 1.138 -6.945 -6.766 1.00 0.00 C ATOM 620 C TYR A 39 -0.179 -7.464 -7.357 1.00 0.00 C ATOM 621 O TYR A 39 -0.460 -8.655 -7.346 1.00 0.00 O ATOM 622 CB TYR A 39 2.226 -8.019 -6.883 1.00 0.00 C ATOM 623 CG TYR A 39 2.616 -8.183 -8.333 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.528 -7.297 -8.919 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.065 -9.224 -9.091 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.888 -7.451 -10.264 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.425 -9.378 -10.435 1.00 0.00 C ATOM 628 CZ TYR A 39 3.336 -8.492 -11.022 1.00 0.00 C ATOM 629 OH TYR A 39 3.691 -8.644 -12.347 1.00 0.00 O ATOM 0 H TYR A 39 0.984 -7.384 -4.682 1.00 0.00 H new ATOM 0 HA TYR A 39 1.459 -6.060 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.096 -7.737 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.862 -8.966 -6.484 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.954 -6.495 -8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.362 -9.908 -8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.591 -6.767 -10.717 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.000 -10.181 -11.019 1.00 0.00 H new ATOM 0 HH TYR A 39 3.219 -9.415 -12.726 1.00 0.00 H new ATOM 639 N SER A 40 -0.988 -6.561 -7.864 1.00 0.00 N ATOM 640 CA SER A 40 -2.304 -6.945 -8.461 1.00 0.00 C ATOM 641 C SER A 40 -2.834 -5.790 -9.313 1.00 0.00 C ATOM 642 O SER A 40 -2.228 -4.730 -9.378 1.00 0.00 O ATOM 643 CB SER A 40 -3.297 -7.251 -7.341 1.00 0.00 C ATOM 644 OG SER A 40 -4.524 -7.691 -7.906 1.00 0.00 O ATOM 0 H SER A 40 -0.787 -5.561 -7.888 1.00 0.00 H new ATOM 0 HA SER A 40 -2.177 -7.828 -9.087 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.892 -8.018 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.462 -6.361 -6.733 1.00 0.00 H new ATOM 0 HG SER A 40 -5.162 -7.889 -7.189 1.00 0.00 H new ATOM 650 N LEU A 41 -3.954 -5.998 -9.967 1.00 0.00 N ATOM 651 CA LEU A 41 -4.551 -4.934 -10.833 1.00 0.00 C ATOM 652 C LEU A 41 -5.609 -4.148 -10.032 1.00 0.00 C ATOM 653 O LEU A 41 -6.254 -4.719 -9.170 1.00 0.00 O ATOM 654 CB LEU A 41 -5.210 -5.583 -12.053 1.00 0.00 C ATOM 655 CG LEU A 41 -4.184 -6.446 -12.793 1.00 0.00 C ATOM 656 CD1 LEU A 41 -4.877 -7.680 -13.373 1.00 0.00 C ATOM 657 CD2 LEU A 41 -3.558 -5.633 -13.929 1.00 0.00 C ATOM 0 H LEU A 41 -4.484 -6.869 -9.936 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.768 -4.251 -11.162 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.056 -6.195 -11.740 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.602 -4.814 -12.719 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.406 -6.760 -12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.146 -8.294 -13.900 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.323 -8.260 -12.565 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.656 -7.367 -14.068 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.828 -6.247 -14.456 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.337 -5.319 -14.624 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.063 -4.753 -13.517 1.00 0.00 H new ATOM 669 N PRO A 42 -5.767 -2.862 -10.333 1.00 0.00 N ATOM 670 CA PRO A 42 -6.747 -2.003 -9.633 1.00 0.00 C ATOM 671 C PRO A 42 -8.175 -2.285 -10.118 1.00 0.00 C ATOM 672 O PRO A 42 -9.131 -1.828 -9.514 1.00 0.00 O ATOM 673 CB PRO A 42 -6.314 -0.579 -9.996 1.00 0.00 C ATOM 674 CG PRO A 42 -5.484 -0.689 -11.295 1.00 0.00 C ATOM 675 CD PRO A 42 -5.001 -2.148 -11.388 1.00 0.00 C ATOM 0 HA PRO A 42 -6.762 -2.176 -8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.181 0.064 -10.144 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.722 -0.137 -9.194 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.087 -0.425 -12.163 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.638 -0.002 -11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.197 -2.569 -12.374 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.927 -2.222 -11.218 1.00 0.00 H new ATOM 683 N GLY A 43 -8.324 -3.032 -11.196 1.00 0.00 N ATOM 684 CA GLY A 43 -9.686 -3.351 -11.727 1.00 0.00 C ATOM 685 C GLY A 43 -10.399 -4.327 -10.774 1.00 0.00 C ATOM 686 O GLY A 43 -11.463 -4.006 -10.274 1.00 0.00 O ATOM 0 H GLY A 43 -7.553 -3.433 -11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.270 -2.436 -11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.605 -3.792 -12.721 1.00 0.00 H new ATOM 690 N PRO A 44 -9.805 -5.496 -10.546 1.00 0.00 N ATOM 691 CA PRO A 44 -10.395 -6.520 -9.658 1.00 0.00 C ATOM 692 C PRO A 44 -10.206 -6.139 -8.187 1.00 0.00 C ATOM 693 O PRO A 44 -11.014 -6.504 -7.346 1.00 0.00 O ATOM 694 CB PRO A 44 -9.617 -7.794 -9.996 1.00 0.00 C ATOM 695 CG PRO A 44 -8.278 -7.334 -10.616 1.00 0.00 C ATOM 696 CD PRO A 44 -8.505 -5.905 -11.140 1.00 0.00 C ATOM 0 HA PRO A 44 -11.469 -6.634 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.446 -8.394 -9.102 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.175 -8.417 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.480 -7.352 -9.873 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.976 -8.000 -11.424 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.700 -5.237 -10.833 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.541 -5.882 -12.229 1.00 0.00 H new ATOM 704 N VAL A 45 -9.157 -5.405 -7.878 1.00 0.00 N ATOM 705 CA VAL A 45 -8.910 -4.986 -6.462 1.00 0.00 C ATOM 706 C VAL A 45 -9.925 -3.901 -6.101 1.00 0.00 C ATOM 707 O VAL A 45 -10.657 -4.028 -5.133 1.00 0.00 O ATOM 708 CB VAL A 45 -7.474 -4.462 -6.322 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.236 -3.943 -4.899 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.498 -5.608 -6.604 1.00 0.00 C ATOM 0 H VAL A 45 -8.462 -5.079 -8.550 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.027 -5.831 -5.784 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.319 -3.648 -7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.214 -3.574 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.933 -3.133 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.391 -4.753 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.474 -5.246 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.667 -6.414 -5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.657 -5.981 -7.616 1.00 0.00 H new ATOM 720 N LYS A 46 -9.983 -2.854 -6.894 1.00 0.00 N ATOM 721 CA LYS A 46 -10.963 -1.752 -6.642 1.00 0.00 C ATOM 722 C LYS A 46 -12.383 -2.314 -6.763 1.00 0.00 C ATOM 723 O LYS A 46 -13.314 -1.789 -6.173 1.00 0.00 O ATOM 724 CB LYS A 46 -10.765 -0.637 -7.671 1.00 0.00 C ATOM 725 CG LYS A 46 -11.582 0.587 -7.256 1.00 0.00 C ATOM 726 CD LYS A 46 -11.245 1.765 -8.171 1.00 0.00 C ATOM 727 CE LYS A 46 -12.060 2.988 -7.745 1.00 0.00 C ATOM 728 NZ LYS A 46 -13.354 3.005 -8.484 1.00 0.00 N ATOM 0 H LYS A 46 -9.387 -2.717 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.808 -1.345 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.709 -0.376 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.076 -0.978 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.647 0.362 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.367 0.846 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.179 1.988 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.466 1.510 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.243 2.960 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.500 3.901 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.908 3.836 -8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.169 3.051 -9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.889 2.140 -8.267 1.00 0.00 H new ATOM 742 N ALA A 47 -12.546 -3.382 -7.524 1.00 0.00 N ATOM 743 CA ALA A 47 -13.893 -4.008 -7.704 1.00 0.00 C ATOM 744 C ALA A 47 -14.442 -4.441 -6.340 1.00 0.00 C ATOM 745 O ALA A 47 -15.636 -4.367 -6.098 1.00 0.00 O ATOM 746 CB ALA A 47 -13.764 -5.229 -8.617 1.00 0.00 C ATOM 0 H ALA A 47 -11.791 -3.846 -8.030 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.575 -3.287 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.743 -5.688 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.373 -4.919 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.083 -5.951 -8.165 1.00 0.00 H new ATOM 752 N LEU A 48 -13.572 -4.889 -5.454 1.00 0.00 N ATOM 753 CA LEU A 48 -14.014 -5.332 -4.094 1.00 0.00 C ATOM 754 C LEU A 48 -14.697 -4.168 -3.375 1.00 0.00 C ATOM 755 O LEU A 48 -15.660 -4.359 -2.647 1.00 0.00 O ATOM 756 CB LEU A 48 -12.798 -5.790 -3.283 1.00 0.00 C ATOM 757 CG LEU A 48 -12.129 -6.979 -3.981 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.862 -7.369 -3.218 1.00 0.00 C ATOM 759 CD2 LEU A 48 -13.092 -8.169 -4.006 1.00 0.00 C ATOM 0 H LEU A 48 -12.569 -4.965 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.716 -6.160 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.088 -4.970 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.106 -6.073 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.871 -6.700 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.385 -8.215 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.174 -6.524 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.123 -7.647 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.614 -9.013 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.352 -8.448 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.997 -7.894 -4.548 1.00 0.00 H new ATOM 771 N CYS A 49 -14.204 -2.966 -3.584 1.00 0.00 N ATOM 772 CA CYS A 49 -14.806 -1.757 -2.936 1.00 0.00 C ATOM 773 C CYS A 49 -16.061 -1.320 -3.702 1.00 0.00 C ATOM 774 O CYS A 49 -16.859 -0.551 -3.190 1.00 0.00 O ATOM 775 CB CYS A 49 -13.786 -0.618 -2.930 1.00 0.00 C ATOM 776 SG CYS A 49 -12.915 -0.598 -1.342 1.00 0.00 S ATOM 0 H CYS A 49 -13.401 -2.772 -4.183 1.00 0.00 H new ATOM 0 HA CYS A 49 -15.083 -2.003 -1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.075 -0.748 -3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.288 0.335 -3.094 1.00 0.00 H new ATOM 781 N ARG A 50 -16.245 -1.810 -4.920 1.00 0.00 N ATOM 782 CA ARG A 50 -17.451 -1.438 -5.728 1.00 0.00 C ATOM 783 C ARG A 50 -18.718 -1.790 -4.936 1.00 0.00 C ATOM 784 O ARG A 50 -19.200 -2.912 -4.979 1.00 0.00 O ATOM 785 CB ARG A 50 -17.432 -2.206 -7.055 1.00 0.00 C ATOM 786 CG ARG A 50 -18.293 -1.470 -8.085 1.00 0.00 C ATOM 787 CD ARG A 50 -17.648 -0.125 -8.437 1.00 0.00 C ATOM 788 NE ARG A 50 -17.631 0.041 -9.918 1.00 0.00 N ATOM 789 CZ ARG A 50 -16.791 0.873 -10.471 1.00 0.00 C ATOM 790 NH1 ARG A 50 -16.723 2.105 -10.048 1.00 0.00 N ATOM 791 NH2 ARG A 50 -16.025 0.476 -11.450 1.00 0.00 N ATOM 0 H ARG A 50 -15.604 -2.454 -5.383 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.442 -0.368 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.409 -2.297 -7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.809 -3.218 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.401 -2.078 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.295 -1.310 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.205 0.690 -7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.633 -0.081 -8.043 1.00 0.00 H new ATOM 0 HE ARG A 50 -18.275 -0.495 -10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.326 2.417 -9.286 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.067 2.757 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.082 -0.486 -11.784 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.369 1.128 -11.881 1.00 0.00 H new ATOM 805 N GLY A 51 -19.242 -0.830 -4.205 1.00 0.00 N ATOM 806 CA GLY A 51 -20.468 -1.063 -3.382 1.00 0.00 C ATOM 807 C GLY A 51 -20.331 -0.296 -2.068 1.00 0.00 C ATOM 808 O GLY A 51 -21.307 0.201 -1.529 1.00 0.00 O ATOM 0 H GLY A 51 -18.864 0.116 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.354 -0.731 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.595 -2.128 -3.186 1.00 0.00 H new ATOM 812 N VAL A 52 -19.118 -0.193 -1.563 1.00 0.00 N ATOM 813 CA VAL A 52 -18.875 0.549 -0.288 1.00 0.00 C ATOM 814 C VAL A 52 -19.112 2.039 -0.535 1.00 0.00 C ATOM 815 O VAL A 52 -18.609 2.596 -1.498 1.00 0.00 O ATOM 816 CB VAL A 52 -17.431 0.320 0.165 1.00 0.00 C ATOM 817 CG1 VAL A 52 -17.205 0.987 1.523 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.174 -1.184 0.288 1.00 0.00 C ATOM 0 H VAL A 52 -18.283 -0.597 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.552 0.194 0.489 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.748 0.752 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.176 0.822 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.391 2.058 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.886 0.557 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.146 -1.352 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.859 -1.611 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.333 -1.661 -0.679 1.00 0.00 H new ATOM 828 N ILE A 53 -19.883 2.676 0.319 1.00 0.00 N ATOM 829 CA ILE A 53 -20.183 4.134 0.144 1.00 0.00 C ATOM 830 C ILE A 53 -19.551 4.933 1.284 1.00 0.00 C ATOM 831 O ILE A 53 -19.054 6.028 1.077 1.00 0.00 O ATOM 832 CB ILE A 53 -21.701 4.351 0.160 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.398 3.342 -0.772 1.00 0.00 C ATOM 834 CG2 ILE A 53 -22.017 5.779 -0.295 1.00 0.00 C ATOM 835 CD1 ILE A 53 -21.859 3.472 -2.203 1.00 0.00 C ATOM 0 H ILE A 53 -20.319 2.244 1.134 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.773 4.471 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.069 4.200 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.236 2.328 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.474 3.515 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.096 5.934 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.541 6.490 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.639 5.931 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.362 2.752 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -22.045 4.481 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -20.787 3.276 -2.207 1.00 0.00 H new ATOM 847 N PHE A 54 -19.577 4.388 2.479 1.00 0.00 N ATOM 848 CA PHE A 54 -18.991 5.095 3.661 1.00 0.00 C ATOM 849 C PHE A 54 -17.742 4.356 4.145 1.00 0.00 C ATOM 850 O PHE A 54 -17.418 3.283 3.663 1.00 0.00 O ATOM 851 CB PHE A 54 -20.027 5.150 4.784 1.00 0.00 C ATOM 852 CG PHE A 54 -21.042 6.223 4.470 1.00 0.00 C ATOM 853 CD1 PHE A 54 -22.064 5.970 3.546 1.00 0.00 C ATOM 854 CD2 PHE A 54 -20.959 7.472 5.097 1.00 0.00 C ATOM 855 CE1 PHE A 54 -23.002 6.964 3.250 1.00 0.00 C ATOM 856 CE2 PHE A 54 -21.899 8.467 4.801 1.00 0.00 C ATOM 857 CZ PHE A 54 -22.920 8.214 3.878 1.00 0.00 C ATOM 0 H PHE A 54 -19.983 3.475 2.686 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.712 6.109 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -20.521 4.184 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -19.539 5.361 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -22.128 5.007 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -20.171 7.668 5.809 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -23.790 6.768 2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -21.836 9.430 5.285 1.00 0.00 H new ATOM 0 HZ PHE A 54 -23.644 8.982 3.650 1.00 0.00 H new ATOM 867 N SER A 55 -17.040 4.942 5.092 1.00 0.00 N ATOM 868 CA SER A 55 -15.793 4.321 5.638 1.00 0.00 C ATOM 869 C SER A 55 -16.119 2.985 6.304 1.00 0.00 C ATOM 870 O SER A 55 -17.014 2.897 7.129 1.00 0.00 O ATOM 871 CB SER A 55 -15.173 5.260 6.671 1.00 0.00 C ATOM 872 OG SER A 55 -14.909 6.516 6.066 1.00 0.00 O ATOM 0 H SER A 55 -17.286 5.838 5.513 1.00 0.00 H new ATOM 0 HA SER A 55 -15.092 4.151 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.849 5.386 7.517 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.250 4.831 7.062 1.00 0.00 H new ATOM 0 HG SER A 55 -14.513 7.121 6.727 1.00 0.00 H new ATOM 878 N ALA A 56 -15.380 1.955 5.952 1.00 0.00 N ATOM 879 CA ALA A 56 -15.598 0.601 6.550 1.00 0.00 C ATOM 880 C ALA A 56 -14.295 -0.186 6.455 1.00 0.00 C ATOM 881 O ALA A 56 -13.537 -0.012 5.518 1.00 0.00 O ATOM 882 CB ALA A 56 -16.701 -0.131 5.783 1.00 0.00 C ATOM 0 H ALA A 56 -14.626 1.999 5.266 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.900 0.698 7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.857 -1.117 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.626 0.442 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.407 -0.241 4.739 1.00 0.00 H new ATOM 888 N ASP A 57 -14.029 -1.041 7.416 1.00 0.00 N ATOM 889 CA ASP A 57 -12.761 -1.838 7.399 1.00 0.00 C ATOM 890 C ASP A 57 -13.019 -3.206 6.764 1.00 0.00 C ATOM 891 O ASP A 57 -13.886 -3.946 7.200 1.00 0.00 O ATOM 892 CB ASP A 57 -12.263 -2.032 8.831 1.00 0.00 C ATOM 893 CG ASP A 57 -12.015 -0.667 9.475 1.00 0.00 C ATOM 894 OD1 ASP A 57 -12.965 0.089 9.599 1.00 0.00 O ATOM 895 OD2 ASP A 57 -10.880 -0.403 9.836 1.00 0.00 O ATOM 0 H ASP A 57 -14.639 -1.221 8.214 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.009 -1.305 6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.998 -2.591 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.344 -2.618 8.831 1.00 0.00 H new ATOM 900 N VAL A 58 -12.262 -3.533 5.738 1.00 0.00 N ATOM 901 CA VAL A 58 -12.425 -4.845 5.039 1.00 0.00 C ATOM 902 C VAL A 58 -11.056 -5.520 4.922 1.00 0.00 C ATOM 903 O VAL A 58 -10.030 -4.861 4.916 1.00 0.00 O ATOM 904 CB VAL A 58 -13.007 -4.603 3.638 1.00 0.00 C ATOM 905 CG1 VAL A 58 -13.083 -5.921 2.856 1.00 0.00 C ATOM 906 CG2 VAL A 58 -14.411 -4.011 3.772 1.00 0.00 C ATOM 0 H VAL A 58 -11.530 -2.936 5.354 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.101 -5.488 5.603 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.360 -3.911 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.497 -5.733 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.083 -6.343 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.723 -6.624 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.829 -3.837 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.049 -4.707 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.358 -3.067 4.314 1.00 0.00 H new ATOM 916 N LEU A 59 -11.054 -6.830 4.819 1.00 0.00 N ATOM 917 CA LEU A 59 -9.777 -7.594 4.687 1.00 0.00 C ATOM 918 C LEU A 59 -9.847 -8.454 3.422 1.00 0.00 C ATOM 919 O LEU A 59 -10.834 -9.133 3.189 1.00 0.00 O ATOM 920 CB LEU A 59 -9.596 -8.492 5.916 1.00 0.00 C ATOM 921 CG LEU A 59 -8.587 -7.856 6.872 1.00 0.00 C ATOM 922 CD1 LEU A 59 -8.816 -8.391 8.287 1.00 0.00 C ATOM 923 CD2 LEU A 59 -7.168 -8.203 6.417 1.00 0.00 C ATOM 0 H LEU A 59 -11.896 -7.406 4.821 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.933 -6.908 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.552 -8.632 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.250 -9.479 5.610 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.715 -6.774 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.096 -7.937 8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.827 -8.144 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.688 -9.473 8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.447 -7.750 7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.040 -9.285 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.005 -7.821 5.409 1.00 0.00 H new ATOM 935 N SER A 60 -8.809 -8.427 2.609 1.00 0.00 N ATOM 936 CA SER A 60 -8.800 -9.239 1.349 1.00 0.00 C ATOM 937 C SER A 60 -8.749 -10.726 1.707 1.00 0.00 C ATOM 938 O SER A 60 -7.878 -11.161 2.442 1.00 0.00 O ATOM 939 CB SER A 60 -7.580 -8.869 0.505 1.00 0.00 C ATOM 940 OG SER A 60 -6.423 -8.855 1.327 1.00 0.00 O ATOM 0 H SER A 60 -7.967 -7.874 2.768 1.00 0.00 H new ATOM 0 HA SER A 60 -9.704 -9.033 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.454 -9.586 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.725 -7.891 0.046 1.00 0.00 H new ATOM 0 HG SER A 60 -5.640 -8.620 0.786 1.00 0.00 H new ATOM 946 N ASN A 61 -9.683 -11.499 1.190 1.00 0.00 N ATOM 947 CA ASN A 61 -9.723 -12.969 1.485 1.00 0.00 C ATOM 948 C ASN A 61 -8.589 -13.675 0.737 1.00 0.00 C ATOM 949 O ASN A 61 -8.067 -14.677 1.197 1.00 0.00 O ATOM 950 CB ASN A 61 -11.071 -13.544 1.032 1.00 0.00 C ATOM 951 CG ASN A 61 -11.990 -13.729 2.244 1.00 0.00 C ATOM 952 OD1 ASN A 61 -12.710 -14.704 2.331 1.00 0.00 O ATOM 953 ND2 ASN A 61 -11.989 -12.832 3.191 1.00 0.00 N ATOM 0 H ASN A 61 -10.424 -11.169 0.572 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.601 -13.126 2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.538 -12.875 0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.919 -14.500 0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.593 -12.949 4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.385 -12.014 3.118 1.00 0.00 H new ATOM 960 N SER A 62 -8.218 -13.155 -0.412 1.00 0.00 N ATOM 961 CA SER A 62 -7.122 -13.775 -1.222 1.00 0.00 C ATOM 962 C SER A 62 -5.785 -13.119 -0.870 1.00 0.00 C ATOM 963 O SER A 62 -5.716 -11.922 -0.651 1.00 0.00 O ATOM 964 CB SER A 62 -7.419 -13.566 -2.708 1.00 0.00 C ATOM 965 OG SER A 62 -8.068 -14.720 -3.224 1.00 0.00 O ATOM 0 H SER A 62 -8.633 -12.320 -0.825 1.00 0.00 H new ATOM 0 HA SER A 62 -7.065 -14.841 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.050 -12.688 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.493 -13.381 -3.253 1.00 0.00 H new ATOM 0 HG SER A 62 -8.261 -14.589 -4.176 1.00 0.00 H new ATOM 971 N GLU A 63 -4.726 -13.904 -0.823 1.00 0.00 N ATOM 972 CA GLU A 63 -3.372 -13.356 -0.494 1.00 0.00 C ATOM 973 C GLU A 63 -2.629 -13.048 -1.792 1.00 0.00 C ATOM 974 O GLU A 63 -2.610 -13.858 -2.705 1.00 0.00 O ATOM 975 CB GLU A 63 -2.576 -14.388 0.307 1.00 0.00 C ATOM 976 CG GLU A 63 -3.357 -14.775 1.563 1.00 0.00 C ATOM 977 CD GLU A 63 -2.899 -16.155 2.039 1.00 0.00 C ATOM 978 OE1 GLU A 63 -1.942 -16.212 2.794 1.00 0.00 O ATOM 979 OE2 GLU A 63 -3.510 -17.132 1.639 1.00 0.00 O ATOM 0 H GLU A 63 -4.747 -14.908 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.483 -12.447 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.388 -15.271 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.604 -13.979 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.196 -14.035 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.426 -14.787 1.351 1.00 0.00 H new ATOM 986 N PHE A 64 -2.018 -11.886 -1.870 1.00 0.00 N ATOM 987 CA PHE A 64 -1.258 -11.499 -3.105 1.00 0.00 C ATOM 988 C PHE A 64 0.212 -11.307 -2.752 1.00 0.00 C ATOM 989 O PHE A 64 0.594 -11.354 -1.591 1.00 0.00 O ATOM 990 CB PHE A 64 -1.794 -10.181 -3.683 1.00 0.00 C ATOM 991 CG PHE A 64 -3.308 -10.185 -3.695 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.018 -9.954 -2.510 1.00 0.00 C ATOM 993 CD2 PHE A 64 -3.999 -10.417 -4.891 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.418 -9.952 -2.522 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.400 -10.416 -4.902 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.109 -10.185 -3.717 1.00 0.00 C ATOM 0 H PHE A 64 -2.013 -11.186 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.377 -12.291 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.431 -9.342 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.417 -10.041 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.486 -9.777 -1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.452 -10.597 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.965 -9.771 -1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.933 -10.593 -5.824 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.189 -10.187 -3.725 1.00 0.00 H new ATOM 1006 N TYR A 65 1.026 -11.063 -3.753 1.00 0.00 N ATOM 1007 CA TYR A 65 2.479 -10.828 -3.514 1.00 0.00 C ATOM 1008 C TYR A 65 2.621 -9.441 -2.902 1.00 0.00 C ATOM 1009 O TYR A 65 1.829 -8.556 -3.190 1.00 0.00 O ATOM 1010 CB TYR A 65 3.247 -10.901 -4.833 1.00 0.00 C ATOM 1011 CG TYR A 65 3.648 -12.331 -5.092 1.00 0.00 C ATOM 1012 CD1 TYR A 65 4.759 -12.873 -4.438 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.906 -13.113 -5.983 1.00 0.00 C ATOM 1014 CE1 TYR A 65 5.128 -14.201 -4.674 1.00 0.00 C ATOM 1015 CE2 TYR A 65 3.275 -14.441 -6.219 1.00 0.00 C ATOM 1016 CZ TYR A 65 4.386 -14.986 -5.564 1.00 0.00 C ATOM 1017 OH TYR A 65 4.749 -16.297 -5.796 1.00 0.00 O ATOM 0 H TYR A 65 0.740 -11.017 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 65 2.886 -11.587 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.628 -10.530 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.131 -10.265 -4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.331 -12.267 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.049 -12.692 -6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.986 -14.621 -4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.703 -15.046 -6.907 1.00 0.00 H new ATOM 0 HH TYR A 65 4.128 -16.699 -6.439 1.00 0.00 H new ATOM 1027 N LEU A 66 3.597 -9.255 -2.047 1.00 0.00 N ATOM 1028 CA LEU A 66 3.776 -7.929 -1.386 1.00 0.00 C ATOM 1029 C LEU A 66 5.220 -7.461 -1.514 1.00 0.00 C ATOM 1030 O LEU A 66 6.121 -8.036 -0.922 1.00 0.00 O ATOM 1031 CB LEU A 66 3.418 -8.041 0.100 1.00 0.00 C ATOM 1032 CG LEU A 66 2.081 -8.769 0.268 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.857 -9.087 1.744 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.947 -7.876 -0.235 1.00 0.00 C ATOM 0 H LEU A 66 4.277 -9.966 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 66 3.121 -7.208 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.203 -8.579 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.357 -7.047 0.543 1.00 0.00 H new ATOM 0 HG LEU A 66 2.098 -9.695 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.906 -9.605 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.665 -9.723 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.840 -8.160 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.004 -8.394 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.931 -6.950 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.105 -7.646 -1.289 1.00 0.00 H new ATOM 1046 N ALA A 67 5.425 -6.397 -2.255 1.00 0.00 N ATOM 1047 CA ALA A 67 6.791 -5.818 -2.416 1.00 0.00 C ATOM 1048 C ALA A 67 6.883 -4.645 -1.451 1.00 0.00 C ATOM 1049 O ALA A 67 6.271 -3.612 -1.672 1.00 0.00 O ATOM 1050 CB ALA A 67 6.986 -5.326 -3.853 1.00 0.00 C ATOM 0 H ALA A 67 4.691 -5.901 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 67 7.560 -6.562 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.986 -4.905 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.868 -6.162 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.244 -4.561 -4.079 1.00 0.00 H new ATOM 1056 N GLU A 68 7.612 -4.810 -0.369 1.00 0.00 N ATOM 1057 CA GLU A 68 7.716 -3.714 0.645 1.00 0.00 C ATOM 1058 C GLU A 68 9.089 -3.064 0.607 1.00 0.00 C ATOM 1059 O GLU A 68 10.089 -3.690 0.296 1.00 0.00 O ATOM 1060 CB GLU A 68 7.445 -4.238 2.067 1.00 0.00 C ATOM 1061 CG GLU A 68 8.031 -5.642 2.262 1.00 0.00 C ATOM 1062 CD GLU A 68 7.745 -6.120 3.687 1.00 0.00 C ATOM 1063 OE1 GLU A 68 6.625 -6.535 3.937 1.00 0.00 O ATOM 1064 OE2 GLU A 68 8.649 -6.061 4.505 1.00 0.00 O ATOM 0 H GLU A 68 8.138 -5.656 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 68 6.959 -2.972 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.879 -3.555 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.371 -4.261 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.595 -6.333 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.106 -5.628 2.080 1.00 0.00 H new ATOM 1071 N CYS A 69 9.115 -1.801 0.944 1.00 0.00 N ATOM 1072 CA CYS A 69 10.379 -1.019 0.975 1.00 0.00 C ATOM 1073 C CYS A 69 10.593 -0.553 2.415 1.00 0.00 C ATOM 1074 O CYS A 69 9.930 0.366 2.867 1.00 0.00 O ATOM 1075 CB CYS A 69 10.229 0.197 0.053 1.00 0.00 C ATOM 1076 SG CYS A 69 10.687 -0.250 -1.639 1.00 0.00 S ATOM 0 H CYS A 69 8.286 -1.267 1.206 1.00 0.00 H new ATOM 0 HA CYS A 69 11.226 -1.618 0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.201 0.557 0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.861 1.012 0.406 1.00 0.00 H new ATOM 1081 N ASN A 70 11.481 -1.196 3.147 1.00 0.00 N ATOM 1082 CA ASN A 70 11.706 -0.809 4.580 1.00 0.00 C ATOM 1083 C ASN A 70 13.129 -0.299 4.790 1.00 0.00 C ATOM 1084 O ASN A 70 14.073 -0.831 4.227 1.00 0.00 O ATOM 1085 CB ASN A 70 11.477 -2.027 5.474 1.00 0.00 C ATOM 1086 CG ASN A 70 10.103 -2.627 5.182 1.00 0.00 C ATOM 1087 OD1 ASN A 70 9.813 -2.995 4.060 1.00 0.00 O ATOM 1088 ND2 ASN A 70 9.238 -2.747 6.151 1.00 0.00 N ATOM 0 H ASN A 70 12.057 -1.969 2.813 1.00 0.00 H new ATOM 0 HA ASN A 70 11.007 -0.013 4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.254 -2.771 5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.543 -1.738 6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.319 -3.149 5.967 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.481 -2.438 7.092 1.00 0.00 H new ATOM 1095 N VAL A 71 13.281 0.722 5.614 1.00 0.00 N ATOM 1096 CA VAL A 71 14.640 1.279 5.894 1.00 0.00 C ATOM 1097 C VAL A 71 15.272 0.530 7.067 1.00 0.00 C ATOM 1098 O VAL A 71 14.740 0.529 8.165 1.00 0.00 O ATOM 1099 CB VAL A 71 14.562 2.779 6.226 1.00 0.00 C ATOM 1100 CG1 VAL A 71 13.924 3.524 5.064 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.729 3.017 7.493 1.00 0.00 C ATOM 0 H VAL A 71 12.517 1.189 6.102 1.00 0.00 H new ATOM 0 HA VAL A 71 15.253 1.153 5.001 1.00 0.00 H new ATOM 0 HB VAL A 71 15.574 3.146 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.869 4.587 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.526 3.382 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.919 3.138 4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.689 4.085 7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.718 2.639 7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.188 2.496 8.333 1.00 0.00 H new ATOM 1111 N LYS A 72 16.408 -0.093 6.837 1.00 0.00 N ATOM 1112 CA LYS A 72 17.110 -0.841 7.926 1.00 0.00 C ATOM 1113 C LYS A 72 17.493 0.153 9.039 1.00 0.00 C ATOM 1114 O LYS A 72 17.657 1.327 8.761 1.00 0.00 O ATOM 1115 CB LYS A 72 18.372 -1.498 7.356 1.00 0.00 C ATOM 1116 CG LYS A 72 18.096 -2.977 7.055 1.00 0.00 C ATOM 1117 CD LYS A 72 18.647 -3.846 8.190 1.00 0.00 C ATOM 1118 CE LYS A 72 19.040 -5.223 7.645 1.00 0.00 C ATOM 1119 NZ LYS A 72 20.517 -5.281 7.462 1.00 0.00 N ATOM 0 H LYS A 72 16.880 -0.113 5.933 1.00 0.00 H new ATOM 0 HA LYS A 72 16.459 -1.615 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.682 -0.984 6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.193 -1.409 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.024 -3.142 6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 72 18.560 -3.259 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.513 -3.363 8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.897 -3.955 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.717 -6.004 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.538 -5.407 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.785 -6.215 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.813 -4.545 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.987 -5.123 8.376 1.00 0.00 H new ATOM 1133 N PRO A 73 17.618 -0.332 10.271 1.00 0.00 N ATOM 1134 CA PRO A 73 17.971 0.527 11.421 1.00 0.00 C ATOM 1135 C PRO A 73 19.461 0.876 11.381 1.00 0.00 C ATOM 1136 O PRO A 73 20.240 0.199 10.730 1.00 0.00 O ATOM 1137 CB PRO A 73 17.631 -0.333 12.641 1.00 0.00 C ATOM 1138 CG PRO A 73 17.640 -1.800 12.158 1.00 0.00 C ATOM 1139 CD PRO A 73 17.430 -1.760 10.632 1.00 0.00 C ATOM 0 HA PRO A 73 17.438 1.478 11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.360 -0.182 13.437 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.656 -0.064 13.046 1.00 0.00 H new ATOM 0 HG2 PRO A 73 18.584 -2.285 12.407 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.850 -2.373 12.643 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.147 -2.398 10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.435 -2.111 10.358 1.00 0.00 H new ATOM 1147 N ARG A 74 19.846 1.941 12.055 1.00 0.00 N ATOM 1148 CA ARG A 74 21.279 2.380 12.060 1.00 0.00 C ATOM 1149 C ARG A 74 21.681 2.755 10.625 1.00 0.00 C ATOM 1150 O ARG A 74 22.834 2.640 10.237 1.00 0.00 O ATOM 1151 CB ARG A 74 22.168 1.242 12.583 1.00 0.00 C ATOM 1152 CG ARG A 74 22.427 1.437 14.078 1.00 0.00 C ATOM 1153 CD ARG A 74 23.225 0.248 14.615 1.00 0.00 C ATOM 1154 NE ARG A 74 23.932 0.651 15.863 1.00 0.00 N ATOM 1155 CZ ARG A 74 24.878 -0.104 16.351 1.00 0.00 C ATOM 1156 NH1 ARG A 74 25.852 -0.510 15.582 1.00 0.00 N ATOM 1157 NH2 ARG A 74 24.849 -0.450 17.608 1.00 0.00 N ATOM 0 H ARG A 74 19.220 2.528 12.606 1.00 0.00 H new ATOM 0 HA ARG A 74 21.406 3.244 12.713 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.684 0.281 12.410 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.113 1.226 12.039 1.00 0.00 H new ATOM 0 HG2 ARG A 74 22.977 2.363 14.245 1.00 0.00 H new ATOM 0 HG3 ARG A 74 21.482 1.526 14.613 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.558 -0.591 14.816 1.00 0.00 H new ATOM 0 HD3 ARG A 74 23.945 -0.088 13.869 1.00 0.00 H new ATOM 0 HE ARG A 74 23.676 1.518 16.336 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.874 -0.237 14.599 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.591 -1.100 15.964 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.088 -0.131 18.207 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.587 -1.040 17.992 1.00 0.00 H new ATOM 1171 N LYS A 75 20.721 3.213 9.845 1.00 0.00 N ATOM 1172 CA LYS A 75 20.988 3.617 8.430 1.00 0.00 C ATOM 1173 C LYS A 75 20.115 4.852 8.104 1.00 0.00 C ATOM 1174 O LYS A 75 18.927 4.823 8.371 1.00 0.00 O ATOM 1175 CB LYS A 75 20.612 2.455 7.498 1.00 0.00 C ATOM 1176 CG LYS A 75 21.881 1.830 6.895 1.00 0.00 C ATOM 1177 CD LYS A 75 22.169 0.483 7.564 1.00 0.00 C ATOM 1178 CE LYS A 75 23.668 0.183 7.491 1.00 0.00 C ATOM 1179 NZ LYS A 75 23.872 -1.270 7.237 1.00 0.00 N ATOM 0 H LYS A 75 19.751 3.323 10.140 1.00 0.00 H new ATOM 0 HA LYS A 75 22.042 3.860 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.053 1.700 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.960 2.814 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.754 1.692 5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.728 2.502 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.843 0.505 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.605 -0.308 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.129 0.770 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.153 0.472 8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.891 -1.474 7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.446 -1.821 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.422 -1.531 6.336 1.00 0.00 H new ATOM 1193 N PRO A 76 20.713 5.911 7.555 1.00 0.00 N ATOM 1194 CA PRO A 76 19.970 7.149 7.226 1.00 0.00 C ATOM 1195 C PRO A 76 19.162 6.997 5.926 1.00 0.00 C ATOM 1196 O PRO A 76 19.644 7.276 4.839 1.00 0.00 O ATOM 1197 CB PRO A 76 21.071 8.207 7.079 1.00 0.00 C ATOM 1198 CG PRO A 76 22.376 7.442 6.765 1.00 0.00 C ATOM 1199 CD PRO A 76 22.158 5.985 7.217 1.00 0.00 C ATOM 0 HA PRO A 76 19.235 7.409 7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 76 20.831 8.908 6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 76 21.174 8.790 7.994 1.00 0.00 H new ATOM 0 HG2 PRO A 76 22.603 7.486 5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.221 7.887 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.417 5.281 6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 76 22.780 5.740 8.078 1.00 0.00 H new ATOM 1207 N CYS A 77 17.921 6.575 6.054 1.00 0.00 N ATOM 1208 CA CYS A 77 17.018 6.413 4.869 1.00 0.00 C ATOM 1209 C CYS A 77 17.581 5.379 3.871 1.00 0.00 C ATOM 1210 O CYS A 77 17.454 5.536 2.664 1.00 0.00 O ATOM 1211 CB CYS A 77 16.839 7.778 4.184 1.00 0.00 C ATOM 1212 SG CYS A 77 15.427 8.643 4.919 1.00 0.00 S ATOM 0 H CYS A 77 17.492 6.333 6.947 1.00 0.00 H new ATOM 0 HA CYS A 77 16.052 6.043 5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.744 8.375 4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.679 7.642 3.114 1.00 0.00 H new ATOM 1217 N LYS A 78 18.159 4.304 4.369 1.00 0.00 N ATOM 1218 CA LYS A 78 18.691 3.228 3.465 1.00 0.00 C ATOM 1219 C LYS A 78 17.622 2.142 3.394 1.00 0.00 C ATOM 1220 O LYS A 78 17.283 1.549 4.400 1.00 0.00 O ATOM 1221 CB LYS A 78 19.996 2.655 4.024 1.00 0.00 C ATOM 1222 CG LYS A 78 20.948 3.802 4.389 1.00 0.00 C ATOM 1223 CD LYS A 78 21.317 4.586 3.123 1.00 0.00 C ATOM 1224 CE LYS A 78 22.238 5.753 3.488 1.00 0.00 C ATOM 1225 NZ LYS A 78 21.795 6.982 2.770 1.00 0.00 N ATOM 0 H LYS A 78 18.285 4.127 5.366 1.00 0.00 H new ATOM 0 HA LYS A 78 18.909 3.627 2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.790 2.046 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.463 2.002 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.475 4.464 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.848 3.406 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 78 21.813 3.929 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.415 4.960 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 78 22.219 5.922 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 78 23.267 5.515 3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 22.567 7.679 2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 21.542 6.740 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.967 7.386 3.252 1.00 0.00 H new ATOM 1239 N TYR A 79 17.057 1.929 2.223 1.00 0.00 N ATOM 1240 CA TYR A 79 15.942 0.937 2.076 1.00 0.00 C ATOM 1241 C TYR A 79 16.426 -0.445 1.635 1.00 0.00 C ATOM 1242 O TYR A 79 17.543 -0.627 1.181 1.00 0.00 O ATOM 1243 CB TYR A 79 14.963 1.457 1.026 1.00 0.00 C ATOM 1244 CG TYR A 79 14.179 2.614 1.591 1.00 0.00 C ATOM 1245 CD1 TYR A 79 14.821 3.818 1.896 1.00 0.00 C ATOM 1246 CD2 TYR A 79 12.805 2.477 1.815 1.00 0.00 C ATOM 1247 CE1 TYR A 79 14.087 4.889 2.424 1.00 0.00 C ATOM 1248 CE2 TYR A 79 12.072 3.545 2.343 1.00 0.00 C ATOM 1249 CZ TYR A 79 12.711 4.750 2.648 1.00 0.00 C ATOM 1250 OH TYR A 79 11.988 5.801 3.172 1.00 0.00 O ATOM 0 H TYR A 79 17.324 2.403 1.360 1.00 0.00 H new ATOM 0 HA TYR A 79 15.475 0.827 3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.505 1.773 0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.285 0.660 0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.882 3.923 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.310 1.546 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 79 14.582 5.820 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.011 3.438 2.515 1.00 0.00 H new ATOM 0 HH TYR A 79 11.875 5.672 4.137 1.00 0.00 H new ATOM 1260 N LYS A 80 15.542 -1.412 1.769 1.00 0.00 N ATOM 1261 CA LYS A 80 15.829 -2.823 1.377 1.00 0.00 C ATOM 1262 C LYS A 80 14.541 -3.420 0.790 1.00 0.00 C ATOM 1263 O LYS A 80 13.454 -3.143 1.276 1.00 0.00 O ATOM 1264 CB LYS A 80 16.249 -3.618 2.618 1.00 0.00 C ATOM 1265 CG LYS A 80 17.301 -4.661 2.233 1.00 0.00 C ATOM 1266 CD LYS A 80 16.619 -6.006 1.979 1.00 0.00 C ATOM 1267 CE LYS A 80 17.467 -6.831 1.012 1.00 0.00 C ATOM 1268 NZ LYS A 80 17.303 -8.279 1.325 1.00 0.00 N ATOM 0 H LYS A 80 14.605 -1.269 2.147 1.00 0.00 H new ATOM 0 HA LYS A 80 16.634 -2.864 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.651 -2.944 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.381 -4.109 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.837 -4.339 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.038 -4.760 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.491 -6.544 2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.624 -5.849 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.164 -6.633 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.516 -6.546 1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.879 -8.844 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.613 -8.460 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.303 -8.545 1.224 1.00 0.00 H new ATOM 1282 N LEU A 81 14.660 -4.212 -0.257 1.00 0.00 N ATOM 1283 CA LEU A 81 13.451 -4.821 -0.910 1.00 0.00 C ATOM 1284 C LEU A 81 13.083 -6.142 -0.225 1.00 0.00 C ATOM 1285 O LEU A 81 13.938 -6.973 0.032 1.00 0.00 O ATOM 1286 CB LEU A 81 13.756 -5.084 -2.388 1.00 0.00 C ATOM 1287 CG LEU A 81 12.486 -4.892 -3.224 1.00 0.00 C ATOM 1288 CD1 LEU A 81 12.870 -4.626 -4.682 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.630 -6.158 -3.149 1.00 0.00 C ATOM 0 H LEU A 81 15.549 -4.463 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 81 12.612 -4.131 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.536 -4.405 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.136 -6.098 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 81 11.921 -4.045 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.967 -4.489 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.482 -3.726 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.435 -5.473 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.727 -6.022 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.197 -7.004 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.356 -6.351 -2.112 1.00 0.00 H new ATOM 1301 N LYS A 82 11.806 -6.335 0.057 1.00 0.00 N ATOM 1302 CA LYS A 82 11.341 -7.601 0.715 1.00 0.00 C ATOM 1303 C LYS A 82 10.030 -8.066 0.065 1.00 0.00 C ATOM 1304 O LYS A 82 9.116 -7.280 -0.124 1.00 0.00 O ATOM 1305 CB LYS A 82 11.109 -7.350 2.210 1.00 0.00 C ATOM 1306 CG LYS A 82 12.298 -7.886 3.016 1.00 0.00 C ATOM 1307 CD LYS A 82 11.968 -9.277 3.565 1.00 0.00 C ATOM 1308 CE LYS A 82 12.378 -10.341 2.544 1.00 0.00 C ATOM 1309 NZ LYS A 82 12.489 -11.664 3.221 1.00 0.00 N ATOM 0 H LYS A 82 11.066 -5.663 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 82 12.102 -8.372 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.984 -6.283 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.189 -7.839 2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.185 -7.935 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.529 -7.207 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.491 -9.441 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.901 -9.352 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.643 -10.392 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.331 -10.074 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.768 -12.387 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.206 -11.611 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.571 -11.919 3.637 1.00 0.00 H new ATOM 1323 N LYS A 83 9.945 -9.337 -0.273 1.00 0.00 N ATOM 1324 CA LYS A 83 8.708 -9.893 -0.915 1.00 0.00 C ATOM 1325 C LYS A 83 7.951 -10.759 0.093 1.00 0.00 C ATOM 1326 O LYS A 83 8.548 -11.331 0.992 1.00 0.00 O ATOM 1327 CB LYS A 83 9.104 -10.756 -2.116 1.00 0.00 C ATOM 1328 CG LYS A 83 10.165 -11.784 -1.694 1.00 0.00 C ATOM 1329 CD LYS A 83 11.524 -11.401 -2.289 1.00 0.00 C ATOM 1330 CE LYS A 83 12.544 -12.510 -2.009 1.00 0.00 C ATOM 1331 NZ LYS A 83 13.541 -12.019 -1.019 1.00 0.00 N ATOM 0 H LYS A 83 10.690 -10.018 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 83 8.071 -9.071 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.227 -11.268 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.494 -10.126 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.232 -11.825 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.876 -12.779 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.430 -11.244 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.868 -10.461 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.039 -13.397 -1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.044 -12.802 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.236 -12.768 -0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.029 -11.185 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.056 -11.761 -0.136 1.00 0.00 H new ATOM 1345 N SER A 84 6.643 -10.857 -0.054 1.00 0.00 N ATOM 1346 CA SER A 84 5.826 -11.687 0.891 1.00 0.00 C ATOM 1347 C SER A 84 4.471 -12.034 0.263 1.00 0.00 C ATOM 1348 O SER A 84 4.151 -11.596 -0.826 1.00 0.00 O ATOM 1349 CB SER A 84 5.597 -10.898 2.180 1.00 0.00 C ATOM 1350 OG SER A 84 6.683 -11.129 3.070 1.00 0.00 O ATOM 0 H SER A 84 6.109 -10.395 -0.790 1.00 0.00 H new ATOM 0 HA SER A 84 6.362 -12.611 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.513 -9.834 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.659 -11.202 2.645 1.00 0.00 H new ATOM 0 HG SER A 84 7.507 -11.258 2.555 1.00 0.00 H new ATOM 1356 N SER A 85 3.680 -12.815 0.968 1.00 0.00 N ATOM 1357 CA SER A 85 2.324 -13.217 0.473 1.00 0.00 C ATOM 1358 C SER A 85 1.340 -13.103 1.639 1.00 0.00 C ATOM 1359 O SER A 85 1.482 -13.796 2.634 1.00 0.00 O ATOM 1360 CB SER A 85 2.365 -14.663 -0.025 1.00 0.00 C ATOM 1361 OG SER A 85 2.734 -15.519 1.047 1.00 0.00 O ATOM 0 H SER A 85 3.924 -13.196 1.882 1.00 0.00 H new ATOM 0 HA SER A 85 2.015 -12.571 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.390 -14.952 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.079 -14.758 -0.843 1.00 0.00 H new ATOM 0 HG SER A 85 2.359 -15.175 1.884 1.00 0.00 H new ATOM 1367 N ASN A 86 0.363 -12.220 1.535 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.618 -12.040 2.657 1.00 0.00 C ATOM 1369 C ASN A 86 -1.773 -11.130 2.217 1.00 0.00 C ATOM 1370 O ASN A 86 -1.745 -10.554 1.140 1.00 0.00 O ATOM 1371 CB ASN A 86 0.117 -11.390 3.835 1.00 0.00 C ATOM 1372 CG ASN A 86 -0.622 -11.675 5.141 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -0.577 -12.777 5.652 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -1.308 -10.721 5.706 1.00 0.00 N ATOM 0 H ASN A 86 0.207 -11.621 0.724 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.029 -13.008 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.135 -11.774 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.191 -10.314 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.807 -10.899 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.345 -9.797 5.277 1.00 0.00 H new ATOM 1381 N ARG A 87 -2.778 -10.995 3.063 1.00 0.00 N ATOM 1382 CA ARG A 87 -3.952 -10.116 2.751 1.00 0.00 C ATOM 1383 C ARG A 87 -3.752 -8.756 3.435 1.00 0.00 C ATOM 1384 O ARG A 87 -2.748 -8.538 4.099 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.238 -10.766 3.267 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.071 -11.139 4.744 1.00 0.00 C ATOM 1387 CD ARG A 87 -4.755 -12.631 4.867 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.029 -13.399 4.945 1.00 0.00 N ATOM 1389 CZ ARG A 87 -6.160 -14.362 5.817 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -5.982 -14.120 7.087 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -6.467 -15.567 5.419 1.00 0.00 N ATOM 0 H ARG A 87 -2.830 -11.465 3.967 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.031 -9.980 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.077 -10.080 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.468 -11.656 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.269 -10.550 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.982 -10.904 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.169 -12.962 4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.151 -12.815 5.756 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.800 -13.172 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.741 -13.179 7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.084 -14.872 7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.605 -15.757 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.569 -16.319 6.101 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.690 -7.839 3.274 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.536 -6.486 3.904 1.00 0.00 C ATOM 1407 C ILE A 88 -5.878 -5.957 4.412 1.00 0.00 C ATOM 1408 O ILE A 88 -6.919 -6.197 3.823 1.00 0.00 O ATOM 1409 CB ILE A 88 -3.984 -5.511 2.861 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.874 -5.544 1.615 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.562 -5.921 2.478 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.459 -4.428 0.655 1.00 0.00 C ATOM 0 H ILE A 88 -5.547 -7.972 2.737 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.855 -6.575 4.750 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.971 -4.504 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.789 -6.512 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.919 -5.422 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.170 -5.226 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.927 -5.902 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.573 -6.928 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.094 -4.455 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.567 -3.463 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.419 -4.570 0.360 1.00 0.00 H new ATOM 1424 N CYS A 89 -5.833 -5.211 5.495 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.067 -4.601 6.078 1.00 0.00 C ATOM 1426 C CYS A 89 -7.084 -3.122 5.685 1.00 0.00 C ATOM 1427 O CYS A 89 -6.167 -2.387 6.009 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.029 -4.735 7.602 1.00 0.00 C ATOM 1429 SG CYS A 89 -8.692 -4.509 8.276 1.00 0.00 S ATOM 0 H CYS A 89 -4.976 -4.998 6.005 1.00 0.00 H new ATOM 0 HA CYS A 89 -7.961 -5.102 5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.643 -5.716 7.881 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.351 -3.994 8.025 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.100 -2.695 4.961 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.164 -1.265 4.503 1.00 0.00 C ATOM 1436 C ILE A 90 -9.504 -0.621 4.875 1.00 0.00 C ATOM 1437 O ILE A 90 -10.494 -1.301 5.088 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.998 -1.227 2.981 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -9.045 -2.144 2.332 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.592 -1.709 2.613 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -8.938 -2.068 0.803 1.00 0.00 C ATOM 0 H ILE A 90 -8.886 -3.276 4.669 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.367 -0.707 4.995 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.137 -0.208 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.896 -3.171 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -10.045 -1.849 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.470 -1.683 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.851 -1.058 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.452 -2.729 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.685 -2.722 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.110 -1.042 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.943 -2.386 0.492 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.526 0.698 4.919 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.781 1.450 5.233 1.00 0.00 C ATOM 1455 C ARG A 91 -11.347 1.953 3.907 1.00 0.00 C ATOM 1456 O ARG A 91 -10.746 2.798 3.260 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.455 2.632 6.149 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.747 3.200 6.750 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.901 2.718 8.195 1.00 0.00 C ATOM 1460 NE ARG A 91 -10.967 3.478 9.073 1.00 0.00 N ATOM 1461 CZ ARG A 91 -11.432 4.350 9.926 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -12.370 5.182 9.563 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -10.955 4.391 11.140 1.00 0.00 N ATOM 0 H ARG A 91 -8.712 1.288 4.747 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.504 0.814 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.784 2.311 6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.935 3.407 5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.725 4.289 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.605 2.883 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.929 2.860 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.690 1.651 8.258 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.962 3.316 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.740 5.151 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.733 5.863 10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.220 3.742 11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.317 5.072 11.808 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.467 1.406 3.478 1.00 0.00 N ATOM 1478 CA CYS A 92 -13.051 1.803 2.158 1.00 0.00 C ATOM 1479 C CYS A 92 -14.244 2.742 2.308 1.00 0.00 C ATOM 1480 O CYS A 92 -15.067 2.602 3.196 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.492 0.549 1.403 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.734 0.957 -0.344 1.00 0.00 S ATOM 0 H CYS A 92 -12.999 0.701 3.989 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.278 2.337 1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.740 -0.234 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.417 0.160 1.829 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.330 3.683 1.398 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.451 4.669 1.369 1.00 0.00 C ATOM 1489 C GLU A 93 -15.512 5.233 -0.046 1.00 0.00 C ATOM 1490 O GLU A 93 -14.485 5.435 -0.664 1.00 0.00 O ATOM 1491 CB GLU A 93 -15.201 5.805 2.363 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.775 6.337 2.198 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.510 7.410 3.253 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -14.198 8.417 3.232 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -12.624 7.206 4.068 1.00 0.00 O ATOM 0 H GLU A 93 -13.646 3.810 0.652 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.387 4.185 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.919 6.608 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.350 5.448 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.057 5.524 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.643 6.753 1.199 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.698 5.457 -0.564 1.00 0.00 N ATOM 1503 CA HIS A 94 -16.845 5.984 -1.959 1.00 0.00 C ATOM 1504 C HIS A 94 -16.246 4.962 -2.943 1.00 0.00 C ATOM 1505 O HIS A 94 -15.796 5.314 -4.022 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.122 7.332 -2.087 1.00 0.00 C ATOM 1507 CG HIS A 94 -16.760 8.333 -1.164 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.020 8.861 -1.401 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.326 8.911 0.001 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.296 9.714 -0.399 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.296 9.783 0.483 1.00 0.00 N ATOM 0 H HIS A 94 -17.578 5.295 -0.075 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.900 6.135 -2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.067 7.215 -1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -16.172 7.687 -3.116 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.374 8.718 0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.215 10.275 -0.317 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.253 10.353 1.328 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.257 3.693 -2.569 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.712 2.608 -3.450 1.00 0.00 C ATOM 1521 C GLU A 95 -14.193 2.785 -3.632 1.00 0.00 C ATOM 1522 O GLU A 95 -13.650 2.515 -4.697 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.420 2.652 -4.815 1.00 0.00 C ATOM 1524 CG GLU A 95 -17.936 2.670 -4.610 1.00 0.00 C ATOM 1525 CD GLU A 95 -18.631 2.269 -5.913 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.538 3.024 -6.867 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.244 1.215 -5.935 1.00 0.00 O ATOM 0 H GLU A 95 -16.627 3.365 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.894 1.640 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.108 3.537 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.134 1.786 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.214 1.983 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.261 3.664 -4.303 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.503 3.224 -2.596 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.016 3.413 -2.693 1.00 0.00 C ATOM 1536 C LEU A 96 -11.378 3.436 -1.285 1.00 0.00 C ATOM 1537 O LEU A 96 -11.749 4.267 -0.475 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.686 4.733 -3.422 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.596 5.878 -2.950 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -11.929 6.638 -1.796 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -12.840 6.839 -4.117 1.00 0.00 C ATOM 0 H LEU A 96 -13.908 3.459 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.607 2.576 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.644 4.998 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.801 4.595 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.544 5.465 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.581 7.447 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.752 5.955 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.979 7.052 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.485 7.654 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.888 7.245 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.321 6.303 -4.935 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.416 2.544 -1.026 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.717 2.501 0.275 1.00 0.00 C ATOM 1555 C PRO A 97 -8.746 3.675 0.365 1.00 0.00 C ATOM 1556 O PRO A 97 -7.786 3.755 -0.386 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.975 1.164 0.262 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.829 0.765 -1.222 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.942 1.509 -1.981 1.00 0.00 C ATOM 0 HA PRO A 97 -10.386 2.579 1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.999 1.256 0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.529 0.406 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.846 1.041 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.928 -0.313 -1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.564 1.959 -2.899 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.748 0.833 -2.266 1.00 0.00 H new ATOM 1567 N VAL A 98 -9.014 4.591 1.264 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.144 5.799 1.418 1.00 0.00 C ATOM 1569 C VAL A 98 -7.090 5.572 2.506 1.00 0.00 C ATOM 1570 O VAL A 98 -6.068 6.239 2.524 1.00 0.00 O ATOM 1571 CB VAL A 98 -9.021 6.995 1.797 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -10.022 7.260 0.673 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.787 6.688 3.089 1.00 0.00 C ATOM 0 H VAL A 98 -9.807 4.552 1.904 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.630 5.991 0.476 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.390 7.871 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.649 8.111 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.484 7.479 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.648 6.379 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.410 7.542 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.418 5.812 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.079 6.491 3.894 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.342 4.652 3.417 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.370 4.385 4.522 1.00 0.00 C ATOM 1585 C HIS A 99 -6.181 2.882 4.711 1.00 0.00 C ATOM 1586 O HIS A 99 -6.839 2.080 4.068 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.905 4.992 5.818 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.572 6.456 5.856 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -7.509 7.436 5.569 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -5.408 7.123 6.142 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -6.898 8.628 5.687 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -5.615 8.494 6.035 1.00 0.00 N ATOM 0 H HIS A 99 -8.183 4.076 3.438 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.410 4.833 4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.984 4.851 5.880 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.467 4.485 6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.473 6.654 6.410 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.385 9.578 5.521 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.934 9.237 6.189 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.287 2.508 5.600 1.00 0.00 N ATOM 1601 CA PHE A 100 -5.024 1.062 5.876 1.00 0.00 C ATOM 1602 C PHE A 100 -5.323 0.774 7.348 1.00 0.00 C ATOM 1603 O PHE A 100 -4.667 1.296 8.233 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.560 0.724 5.563 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.639 1.734 6.210 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.368 2.946 5.565 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -2.056 1.456 7.452 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -1.513 3.881 6.160 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.200 2.391 8.047 1.00 0.00 C ATOM 1610 CZ PHE A 100 -0.929 3.604 7.403 1.00 0.00 C ATOM 0 H PHE A 100 -4.723 3.155 6.151 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.665 0.447 5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.325 -0.277 5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.404 0.718 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.819 3.160 4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.266 0.521 7.951 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.304 4.816 5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.748 2.176 9.004 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.271 4.325 7.864 1.00 0.00 H new ATOM 1620 N ALA A 101 -6.317 -0.049 7.601 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.697 -0.393 9.006 1.00 0.00 C ATOM 1622 C ALA A 101 -5.628 -1.298 9.614 1.00 0.00 C ATOM 1623 O ALA A 101 -5.297 -1.178 10.782 1.00 0.00 O ATOM 1624 CB ALA A 101 -8.040 -1.125 9.006 1.00 0.00 C ATOM 0 H ALA A 101 -6.885 -0.500 6.884 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.780 0.521 9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.318 -1.376 10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.805 -0.482 8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.956 -2.039 8.418 1.00 0.00 H new ATOM 1630 N GLY A 102 -5.095 -2.200 8.819 1.00 0.00 N ATOM 1631 CA GLY A 102 -4.042 -3.139 9.313 1.00 0.00 C ATOM 1632 C GLY A 102 -3.675 -4.131 8.207 1.00 0.00 C ATOM 1633 O GLY A 102 -3.761 -3.818 7.031 1.00 0.00 O ATOM 0 H GLY A 102 -5.350 -2.324 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.158 -2.580 9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.402 -3.675 10.191 1.00 0.00 H new ATOM 1637 N VAL A 103 -3.265 -5.323 8.588 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.875 -6.374 7.590 1.00 0.00 C ATOM 1639 C VAL A 103 -3.148 -7.754 8.191 1.00 0.00 C ATOM 1640 O VAL A 103 -3.085 -7.927 9.398 1.00 0.00 O ATOM 1641 CB VAL A 103 -1.382 -6.244 7.262 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -1.046 -7.113 6.050 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -1.043 -4.784 6.944 1.00 0.00 C ATOM 0 H VAL A 103 -3.184 -5.614 9.562 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.455 -6.247 6.676 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.800 -6.572 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.015 -7.020 5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.278 -8.154 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.635 -6.786 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.019 -4.699 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.629 -4.453 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.277 -4.160 7.807 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.444 -8.734 7.359 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.721 -10.115 7.872 1.00 0.00 C ATOM 1655 C GLY A 104 -5.063 -10.133 8.606 1.00 0.00 C ATOM 1656 O GLY A 104 -6.049 -10.635 8.088 1.00 0.00 O ATOM 0 H GLY A 104 -3.505 -8.632 6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.739 -10.824 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.923 -10.430 8.545 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.096 -9.594 9.805 1.00 0.00 N ATOM 1661 CA ILE A 105 -6.359 -9.568 10.607 1.00 0.00 C ATOM 1662 C ILE A 105 -6.630 -8.141 11.092 1.00 0.00 C ATOM 1663 O ILE A 105 -5.732 -7.315 11.134 1.00 0.00 O ATOM 1664 CB ILE A 105 -6.212 -10.499 11.813 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -4.974 -10.098 12.622 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -6.051 -11.942 11.328 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -4.985 -10.826 13.966 1.00 0.00 C ATOM 0 H ILE A 105 -4.291 -9.167 10.264 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.191 -9.902 9.987 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.100 -10.420 12.440 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.069 -10.347 12.069 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.964 -9.020 12.781 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.946 -12.605 12.187 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.929 -12.232 10.751 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.163 -12.018 10.701 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.104 -10.541 14.541 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.884 -10.554 14.520 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.975 -11.903 13.797 1.00 0.00 H new ATOM 1679 N CYS A 106 -7.863 -7.857 11.460 1.00 0.00 N ATOM 1680 CA CYS A 106 -8.229 -6.494 11.955 1.00 0.00 C ATOM 1681 C CYS A 106 -8.926 -6.627 13.324 1.00 0.00 C ATOM 1682 O CYS A 106 -9.633 -7.596 13.541 1.00 0.00 O ATOM 1683 CB CYS A 106 -9.178 -5.826 10.950 1.00 0.00 C ATOM 1684 SG CYS A 106 -8.390 -4.347 10.267 1.00 0.00 S ATOM 0 H CYS A 106 -8.636 -8.522 11.436 1.00 0.00 H new ATOM 0 HA CYS A 106 -7.333 -5.883 12.061 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.425 -6.522 10.149 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -10.114 -5.559 11.440 1.00 0.00 H new ATOM 1689 N PRO A 107 -8.715 -5.661 14.216 1.00 0.00 N ATOM 1690 CA PRO A 107 -9.326 -5.684 15.563 1.00 0.00 C ATOM 1691 C PRO A 107 -10.787 -5.224 15.493 1.00 0.00 C ATOM 1692 O PRO A 107 -11.561 -5.640 16.340 1.00 0.00 O ATOM 1693 CB PRO A 107 -8.485 -4.685 16.363 1.00 0.00 C ATOM 1694 CG PRO A 107 -7.842 -3.733 15.330 1.00 0.00 C ATOM 1695 CD PRO A 107 -7.860 -4.469 13.977 1.00 0.00 C ATOM 1696 OXT PRO A 107 -11.105 -4.464 14.593 1.00 0.00 O ATOM 0 HA PRO A 107 -9.336 -6.679 16.009 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.105 -4.132 17.068 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -7.721 -5.199 16.946 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -8.397 -2.797 15.269 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.822 -3.480 15.619 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.269 -3.839 13.187 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.855 -4.756 13.668 1.00 0.00 H new TER 1704 PRO A 107