USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -144:sc= 1.77 USER MOD Single : A 13 GLN : amide:sc= -0.0628 K(o=-0.063,f=-2.8!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.104) USER MOD Single : A 24 ASN : amide:sc= 1.75 K(o=1.8,f=-5.2!) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0868) USER MOD Single : A 28 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 29 TYR OH : rot -132:sc= 1.22 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.69 K(o=0.69,f=-3.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 140:sc= -0.377 USER MOD Single : A 42 MET CE :methyl 177:sc= 0 (180deg=-0.0151) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 130:sc= 0.108 (180deg=-0.0406) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= -0.146 (180deg=-0.178) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.78 USER MOD Single : A 61 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.5!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -55:sc= 0.591 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -55:sc= 0.995 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= -0.211 (180deg=-1.13) USER MOD Single : A 90 ASN : amide:sc= -0.829 X(o=-0.83,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.846 -11.283 -1.155 1.00 0.00 N ATOM 2 CA GLY A 1 8.900 -10.740 -2.034 1.00 0.00 C ATOM 3 C GLY A 1 8.582 -11.008 -3.503 1.00 0.00 C ATOM 4 O GLY A 1 8.318 -10.085 -4.273 1.00 0.00 O ATOM 0 H1 GLY A 1 8.087 -11.087 -0.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.936 -10.834 -1.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.771 -12.311 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.998 -9.667 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.859 -11.190 -1.778 1.00 0.00 H new ATOM 10 N GLU A 2 8.552 -12.284 -3.885 1.00 0.00 N ATOM 11 CA GLU A 2 8.150 -12.721 -5.213 1.00 0.00 C ATOM 12 C GLU A 2 6.617 -12.749 -5.270 1.00 0.00 C ATOM 13 O GLU A 2 6.028 -13.809 -5.458 1.00 0.00 O ATOM 14 CB GLU A 2 8.768 -14.098 -5.521 1.00 0.00 C ATOM 15 CG GLU A 2 10.306 -14.070 -5.577 1.00 0.00 C ATOM 16 CD GLU A 2 10.979 -13.837 -4.226 1.00 0.00 C ATOM 17 OE1 GLU A 2 10.406 -14.290 -3.208 1.00 0.00 O ATOM 18 OE2 GLU A 2 12.044 -13.188 -4.229 1.00 0.00 O ATOM 0 H GLU A 2 8.811 -13.053 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 2 8.513 -12.031 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.451 -14.811 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.382 -14.458 -6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.660 -15.015 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.619 -13.285 -6.266 1.00 0.00 H new ATOM 25 N TRP A 3 6.005 -11.573 -5.081 1.00 0.00 N ATOM 26 CA TRP A 3 4.576 -11.352 -4.877 1.00 0.00 C ATOM 27 C TRP A 3 4.020 -12.208 -3.732 1.00 0.00 C ATOM 28 O TRP A 3 3.681 -13.371 -3.936 1.00 0.00 O ATOM 29 CB TRP A 3 3.797 -11.585 -6.177 1.00 0.00 C ATOM 30 CG TRP A 3 3.644 -10.421 -7.108 1.00 0.00 C ATOM 31 CD1 TRP A 3 4.025 -10.399 -8.403 1.00 0.00 C ATOM 32 CD2 TRP A 3 3.043 -9.113 -6.848 1.00 0.00 C ATOM 33 NE1 TRP A 3 3.739 -9.166 -8.951 1.00 0.00 N ATOM 34 CE2 TRP A 3 3.149 -8.324 -8.031 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.452 -8.496 -5.720 1.00 0.00 C ATOM 36 CZ2 TRP A 3 2.708 -6.993 -8.090 1.00 0.00 C ATOM 37 CZ3 TRP A 3 2.067 -7.142 -5.749 1.00 0.00 C ATOM 38 CH2 TRP A 3 2.176 -6.396 -6.937 1.00 0.00 C ATOM 0 H TRP A 3 6.531 -10.699 -5.066 1.00 0.00 H new ATOM 0 HA TRP A 3 4.445 -10.310 -4.585 1.00 0.00 H new ATOM 0 HB2 TRP A 3 4.287 -12.391 -6.723 1.00 0.00 H new ATOM 0 HB3 TRP A 3 2.800 -11.939 -5.913 1.00 0.00 H new ATOM 0 HD1 TRP A 3 4.484 -11.222 -8.930 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.939 -8.908 -9.917 1.00 0.00 H new ATOM 0 HE3 TRP A 3 2.294 -9.074 -4.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.777 -6.435 -9.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.686 -6.673 -4.854 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.851 -5.366 -6.961 1.00 0.00 H new ATOM 49 N GLU A 4 3.875 -11.635 -2.530 1.00 0.00 N ATOM 50 CA GLU A 4 3.316 -12.363 -1.392 1.00 0.00 C ATOM 51 C GLU A 4 2.451 -11.443 -0.534 1.00 0.00 C ATOM 52 O GLU A 4 2.641 -10.227 -0.541 1.00 0.00 O ATOM 53 CB GLU A 4 4.468 -13.003 -0.602 1.00 0.00 C ATOM 54 CG GLU A 4 4.067 -13.944 0.545 1.00 0.00 C ATOM 55 CD GLU A 4 3.145 -15.069 0.092 1.00 0.00 C ATOM 56 OE1 GLU A 4 1.920 -14.816 0.092 1.00 0.00 O ATOM 57 OE2 GLU A 4 3.677 -16.146 -0.255 1.00 0.00 O ATOM 0 H GLU A 4 4.138 -10.671 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 4 2.658 -13.159 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.093 -13.561 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.085 -12.205 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.966 -14.373 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.572 -13.367 1.326 1.00 0.00 H new ATOM 64 N ILE A 5 1.491 -12.033 0.185 1.00 0.00 N ATOM 65 CA ILE A 5 0.648 -11.335 1.150 1.00 0.00 C ATOM 66 C ILE A 5 1.480 -11.104 2.411 1.00 0.00 C ATOM 67 O ILE A 5 2.227 -11.992 2.818 1.00 0.00 O ATOM 68 CB ILE A 5 -0.613 -12.153 1.478 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.358 -12.658 0.226 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.596 -11.343 2.338 1.00 0.00 C ATOM 71 CD1 ILE A 5 -1.637 -14.161 0.323 1.00 0.00 C ATOM 0 H ILE A 5 1.277 -13.027 0.108 1.00 0.00 H new ATOM 0 HA ILE A 5 0.313 -10.385 0.733 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.253 -13.021 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.297 -12.117 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.763 -12.451 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.476 -11.949 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.113 -11.060 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.896 -10.445 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.163 -14.492 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.694 -14.701 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.252 -14.361 1.200 1.00 0.00 H new ATOM 83 N ILE A 6 1.355 -9.937 3.039 1.00 0.00 N ATOM 84 CA ILE A 6 2.039 -9.626 4.283 1.00 0.00 C ATOM 85 C ILE A 6 1.032 -9.554 5.432 1.00 0.00 C ATOM 86 O ILE A 6 -0.159 -9.328 5.220 1.00 0.00 O ATOM 87 CB ILE A 6 2.855 -8.332 4.137 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.980 -7.142 3.719 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.006 -8.545 3.144 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.632 -5.799 4.048 1.00 0.00 C ATOM 0 H ILE A 6 0.770 -9.177 2.692 1.00 0.00 H new ATOM 0 HA ILE A 6 2.745 -10.423 4.519 1.00 0.00 H new ATOM 0 HB ILE A 6 3.271 -8.088 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.785 -7.196 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.016 -7.208 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.578 -7.622 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.657 -9.340 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.601 -8.824 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.975 -4.989 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.803 -5.731 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.584 -5.718 3.523 1.00 0.00 H new ATOM 102 N ASP A 7 1.518 -9.755 6.658 1.00 0.00 N ATOM 103 CA ASP A 7 0.714 -9.713 7.864 1.00 0.00 C ATOM 104 C ASP A 7 0.123 -8.318 8.042 1.00 0.00 C ATOM 105 O ASP A 7 0.836 -7.317 7.978 1.00 0.00 O ATOM 106 CB ASP A 7 1.573 -10.069 9.084 1.00 0.00 C ATOM 107 CG ASP A 7 2.190 -11.458 8.973 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.204 -11.562 8.250 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.637 -12.385 9.602 1.00 0.00 O ATOM 0 H ASP A 7 2.502 -9.955 6.836 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.094 -10.439 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.366 -9.330 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.961 -10.017 9.984 1.00 0.00 H new ATOM 114 N ILE A 8 -1.178 -8.257 8.302 1.00 0.00 N ATOM 115 CA ILE A 8 -1.848 -7.060 8.743 1.00 0.00 C ATOM 116 C ILE A 8 -1.645 -6.925 10.257 1.00 0.00 C ATOM 117 O ILE A 8 -1.979 -7.827 11.019 1.00 0.00 O ATOM 118 CB ILE A 8 -3.320 -7.075 8.303 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.022 -8.443 8.168 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.442 -6.370 6.944 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.114 -9.255 9.461 1.00 0.00 C ATOM 0 H ILE A 8 -1.801 -9.059 8.207 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.422 -6.172 8.277 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.829 -6.574 9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.030 -8.281 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.491 -9.035 7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.484 -6.376 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.096 -5.340 7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.833 -6.893 6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.623 -10.198 9.263 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.111 -9.456 9.837 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.674 -8.690 10.206 1.00 0.00 H new ATOM 133 N GLY A 9 -1.041 -5.821 10.697 1.00 0.00 N ATOM 134 CA GLY A 9 -0.636 -5.609 12.078 1.00 0.00 C ATOM 135 C GLY A 9 -0.180 -4.159 12.261 1.00 0.00 C ATOM 136 O GLY A 9 -0.449 -3.347 11.378 1.00 0.00 O ATOM 0 H GLY A 9 -0.817 -5.035 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.467 -5.827 12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.173 -6.291 12.340 1.00 0.00 H new ATOM 140 N PRO A 10 0.501 -3.807 13.368 1.00 0.00 N ATOM 141 CA PRO A 10 0.899 -2.432 13.677 1.00 0.00 C ATOM 142 C PRO A 10 1.696 -1.777 12.539 1.00 0.00 C ATOM 143 O PRO A 10 1.422 -0.644 12.148 1.00 0.00 O ATOM 144 CB PRO A 10 1.680 -2.500 14.995 1.00 0.00 C ATOM 145 CG PRO A 10 2.048 -3.976 15.153 1.00 0.00 C ATOM 146 CD PRO A 10 0.915 -4.705 14.434 1.00 0.00 C ATOM 0 HA PRO A 10 0.025 -1.789 13.784 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.570 -1.872 14.961 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.075 -2.151 15.832 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.016 -4.198 14.705 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.109 -4.264 16.202 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.253 -5.661 14.035 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.089 -4.917 15.113 1.00 0.00 H new ATOM 154 N PHE A 11 2.668 -2.509 11.990 1.00 0.00 N ATOM 155 CA PHE A 11 3.424 -2.127 10.803 1.00 0.00 C ATOM 156 C PHE A 11 2.486 -1.644 9.688 1.00 0.00 C ATOM 157 O PHE A 11 2.590 -0.530 9.173 1.00 0.00 O ATOM 158 CB PHE A 11 4.232 -3.359 10.359 1.00 0.00 C ATOM 159 CG PHE A 11 4.967 -3.221 9.041 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.288 -2.739 9.020 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.370 -3.684 7.852 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.017 -2.738 7.818 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.090 -3.657 6.646 1.00 0.00 C ATOM 164 CZ PHE A 11 6.418 -3.196 6.631 1.00 0.00 C ATOM 0 H PHE A 11 2.956 -3.409 12.373 1.00 0.00 H new ATOM 0 HA PHE A 11 4.095 -1.297 11.026 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.959 -3.594 11.137 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.554 -4.210 10.289 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.742 -2.370 9.927 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.358 -4.060 7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.038 -2.385 7.806 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.623 -3.990 5.731 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.978 -3.194 5.708 1.00 0.00 H new ATOM 174 N THR A 12 1.550 -2.508 9.316 1.00 0.00 N ATOM 175 CA THR A 12 0.634 -2.320 8.211 1.00 0.00 C ATOM 176 C THR A 12 -0.350 -1.182 8.531 1.00 0.00 C ATOM 177 O THR A 12 -0.640 -0.354 7.671 1.00 0.00 O ATOM 178 CB THR A 12 -0.029 -3.683 7.934 1.00 0.00 C ATOM 179 OG1 THR A 12 0.592 -4.699 8.715 1.00 0.00 O ATOM 180 CG2 THR A 12 0.077 -4.048 6.453 1.00 0.00 C ATOM 0 H THR A 12 1.407 -3.394 9.800 1.00 0.00 H new ATOM 0 HA THR A 12 1.138 -2.003 7.298 1.00 0.00 H new ATOM 0 HB THR A 12 -1.082 -3.607 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.622 -5.533 8.202 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.398 -5.014 6.281 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.423 -3.287 5.854 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.127 -4.104 6.166 1.00 0.00 H new ATOM 188 N GLN A 13 -0.823 -1.110 9.780 1.00 0.00 N ATOM 189 CA GLN A 13 -1.597 -0.005 10.337 1.00 0.00 C ATOM 190 C GLN A 13 -0.883 1.320 10.068 1.00 0.00 C ATOM 191 O GLN A 13 -1.487 2.239 9.523 1.00 0.00 O ATOM 192 CB GLN A 13 -1.775 -0.223 11.853 1.00 0.00 C ATOM 193 CG GLN A 13 -3.120 -0.835 12.267 1.00 0.00 C ATOM 194 CD GLN A 13 -4.222 0.205 12.436 1.00 0.00 C ATOM 195 OE1 GLN A 13 -3.955 1.395 12.564 1.00 0.00 O ATOM 196 NE2 GLN A 13 -5.478 -0.227 12.447 1.00 0.00 N ATOM 0 H GLN A 13 -0.667 -1.856 10.458 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.578 0.030 9.863 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.974 -0.871 12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.658 0.735 12.359 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.428 -1.563 11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.993 -1.377 13.204 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.676 -1.222 12.339 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.244 0.436 12.564 1.00 0.00 H new ATOM 205 N ASN A 14 0.396 1.422 10.447 1.00 0.00 N ATOM 206 CA ASN A 14 1.182 2.636 10.249 1.00 0.00 C ATOM 207 C ASN A 14 1.165 3.070 8.781 1.00 0.00 C ATOM 208 O ASN A 14 0.894 4.233 8.474 1.00 0.00 O ATOM 209 CB ASN A 14 2.619 2.432 10.736 1.00 0.00 C ATOM 210 CG ASN A 14 3.439 3.700 10.534 1.00 0.00 C ATOM 211 OD1 ASN A 14 4.111 3.857 9.520 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.393 4.619 11.494 1.00 0.00 N ATOM 0 H ASN A 14 0.910 0.665 10.898 1.00 0.00 H new ATOM 0 HA ASN A 14 0.728 3.432 10.839 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.616 2.159 11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.078 1.605 10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.926 5.483 11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.825 4.460 12.326 1.00 0.00 H new ATOM 219 N LEU A 15 1.432 2.134 7.866 1.00 0.00 N ATOM 220 CA LEU A 15 1.383 2.455 6.445 1.00 0.00 C ATOM 221 C LEU A 15 -0.028 2.845 6.010 1.00 0.00 C ATOM 222 O LEU A 15 -0.184 3.798 5.252 1.00 0.00 O ATOM 223 CB LEU A 15 1.946 1.320 5.581 1.00 0.00 C ATOM 224 CG LEU A 15 3.476 1.194 5.672 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.921 0.068 4.732 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.203 2.488 5.268 1.00 0.00 C ATOM 0 H LEU A 15 1.679 1.168 8.081 1.00 0.00 H new ATOM 0 HA LEU A 15 2.026 3.321 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.491 0.378 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.662 1.488 4.542 1.00 0.00 H new ATOM 0 HG LEU A 15 3.734 0.985 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.005 -0.039 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.450 -0.867 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.625 0.308 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.280 2.341 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.950 2.741 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.895 3.299 5.928 1.00 0.00 H new ATOM 238 N GLY A 16 -1.055 2.144 6.488 1.00 0.00 N ATOM 239 CA GLY A 16 -2.442 2.483 6.205 1.00 0.00 C ATOM 240 C GLY A 16 -2.742 3.932 6.599 1.00 0.00 C ATOM 241 O GLY A 16 -3.257 4.712 5.796 1.00 0.00 O ATOM 0 H GLY A 16 -0.945 1.323 7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.646 2.341 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.104 1.809 6.750 1.00 0.00 H new ATOM 245 N LYS A 17 -2.396 4.300 7.835 1.00 0.00 N ATOM 246 CA LYS A 17 -2.514 5.647 8.332 1.00 0.00 C ATOM 247 C LYS A 17 -1.795 6.624 7.414 1.00 0.00 C ATOM 248 O LYS A 17 -2.422 7.538 6.897 1.00 0.00 O ATOM 249 CB LYS A 17 -1.909 5.689 9.732 1.00 0.00 C ATOM 250 CG LYS A 17 -2.874 5.235 10.822 1.00 0.00 C ATOM 251 CD LYS A 17 -2.113 5.273 12.150 1.00 0.00 C ATOM 252 CE LYS A 17 -3.046 5.124 13.356 1.00 0.00 C ATOM 253 NZ LYS A 17 -3.898 6.314 13.536 1.00 0.00 N ATOM 0 H LYS A 17 -2.020 3.646 8.522 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.563 5.940 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.022 5.056 9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.581 6.706 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.746 5.889 10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.239 4.229 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.372 4.474 12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.569 6.214 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.674 4.243 13.224 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.454 4.961 14.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.351 6.278 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.315 7.172 13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.630 6.332 12.797 1.00 0.00 H new ATOM 267 N PHE A 18 -0.490 6.441 7.220 1.00 0.00 N ATOM 268 CA PHE A 18 0.312 7.279 6.339 1.00 0.00 C ATOM 269 C PHE A 18 -0.337 7.434 4.965 1.00 0.00 C ATOM 270 O PHE A 18 -0.403 8.538 4.435 1.00 0.00 O ATOM 271 CB PHE A 18 1.730 6.705 6.217 1.00 0.00 C ATOM 272 CG PHE A 18 2.594 7.381 5.168 1.00 0.00 C ATOM 273 CD1 PHE A 18 2.835 8.766 5.243 1.00 0.00 C ATOM 274 CD2 PHE A 18 3.087 6.648 4.070 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.586 9.408 4.244 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.855 7.287 3.081 1.00 0.00 C ATOM 277 CZ PHE A 18 4.115 8.666 3.176 1.00 0.00 C ATOM 0 H PHE A 18 0.042 5.700 7.675 1.00 0.00 H new ATOM 0 HA PHE A 18 0.372 8.275 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.225 6.785 7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.660 5.643 5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.441 9.337 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.874 5.592 3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.756 10.473 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.245 6.720 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.722 9.154 2.427 1.00 0.00 H new ATOM 287 N ALA A 19 -0.836 6.340 4.396 1.00 0.00 N ATOM 288 CA ALA A 19 -1.480 6.364 3.091 1.00 0.00 C ATOM 289 C ALA A 19 -2.675 7.316 3.109 1.00 0.00 C ATOM 290 O ALA A 19 -2.788 8.207 2.263 1.00 0.00 O ATOM 291 CB ALA A 19 -1.881 4.950 2.664 1.00 0.00 C ATOM 0 H ALA A 19 -0.804 5.416 4.827 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.772 6.737 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.361 4.988 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.993 4.321 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.576 4.533 3.393 1.00 0.00 H new ATOM 297 N VAL A 20 -3.557 7.139 4.095 1.00 0.00 N ATOM 298 CA VAL A 20 -4.715 8.011 4.238 1.00 0.00 C ATOM 299 C VAL A 20 -4.262 9.451 4.501 1.00 0.00 C ATOM 300 O VAL A 20 -4.805 10.382 3.914 1.00 0.00 O ATOM 301 CB VAL A 20 -5.672 7.481 5.319 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.789 8.496 5.598 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.316 6.173 4.842 1.00 0.00 C ATOM 0 H VAL A 20 -3.489 6.404 4.799 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.278 8.015 3.305 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.097 7.313 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.455 8.102 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.352 9.433 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.355 8.675 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.994 5.800 5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.874 6.356 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.539 5.433 4.653 1.00 0.00 H new ATOM 313 N ASP A 21 -3.267 9.643 5.371 1.00 0.00 N ATOM 314 CA ASP A 21 -2.753 10.949 5.736 1.00 0.00 C ATOM 315 C ASP A 21 -2.237 11.670 4.497 1.00 0.00 C ATOM 316 O ASP A 21 -2.543 12.836 4.289 1.00 0.00 O ATOM 317 CB ASP A 21 -1.654 10.805 6.791 1.00 0.00 C ATOM 318 CG ASP A 21 -1.033 12.159 7.118 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.680 12.909 7.880 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.073 12.418 6.597 1.00 0.00 O ATOM 0 H ASP A 21 -2.793 8.875 5.846 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.557 11.546 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.069 10.363 7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.883 10.125 6.429 1.00 0.00 H new ATOM 325 N GLU A 22 -1.467 10.974 3.664 1.00 0.00 N ATOM 326 CA GLU A 22 -0.892 11.513 2.448 1.00 0.00 C ATOM 327 C GLU A 22 -2.016 11.890 1.478 1.00 0.00 C ATOM 328 O GLU A 22 -2.056 13.017 0.976 1.00 0.00 O ATOM 329 CB GLU A 22 0.122 10.505 1.880 1.00 0.00 C ATOM 330 CG GLU A 22 0.954 11.085 0.729 1.00 0.00 C ATOM 331 CD GLU A 22 2.343 10.451 0.666 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.432 9.281 0.235 1.00 0.00 O ATOM 333 OE2 GLU A 22 3.301 11.149 1.060 1.00 0.00 O ATOM 0 H GLU A 22 -1.224 9.997 3.826 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.337 12.432 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.790 10.180 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.409 9.620 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.435 10.921 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.051 12.163 0.856 1.00 0.00 H new ATOM 340 N GLU A 23 -2.967 10.977 1.238 1.00 0.00 N ATOM 341 CA GLU A 23 -4.103 11.297 0.379 1.00 0.00 C ATOM 342 C GLU A 23 -4.867 12.519 0.911 1.00 0.00 C ATOM 343 O GLU A 23 -5.251 13.395 0.134 1.00 0.00 O ATOM 344 CB GLU A 23 -5.029 10.086 0.206 1.00 0.00 C ATOM 345 CG GLU A 23 -5.950 10.373 -0.984 1.00 0.00 C ATOM 346 CD GLU A 23 -7.008 9.311 -1.206 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.625 8.902 -0.203 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.226 8.972 -2.388 1.00 0.00 O ATOM 0 H GLU A 23 -2.970 10.031 1.620 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.716 11.553 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.447 9.181 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.613 9.919 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.440 11.334 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.345 10.465 -1.886 1.00 0.00 H new ATOM 355 N ASN A 24 -5.094 12.577 2.226 1.00 0.00 N ATOM 356 CA ASN A 24 -5.768 13.670 2.905 1.00 0.00 C ATOM 357 C ASN A 24 -4.965 14.963 2.775 1.00 0.00 C ATOM 358 O ASN A 24 -5.547 16.033 2.614 1.00 0.00 O ATOM 359 CB ASN A 24 -5.928 13.322 4.388 1.00 0.00 C ATOM 360 CG ASN A 24 -7.135 12.454 4.718 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.840 11.949 3.848 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.406 12.305 6.010 1.00 0.00 N ATOM 0 H ASN A 24 -4.801 11.836 2.862 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.746 13.817 2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.027 12.809 4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.999 14.249 4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.217 11.760 6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.803 12.736 6.711 1.00 0.00 H new ATOM 369 N LYS A 25 -3.636 14.879 2.871 1.00 0.00 N ATOM 370 CA LYS A 25 -2.751 16.027 2.755 1.00 0.00 C ATOM 371 C LYS A 25 -2.911 16.648 1.368 1.00 0.00 C ATOM 372 O LYS A 25 -3.003 17.866 1.238 1.00 0.00 O ATOM 373 CB LYS A 25 -1.305 15.595 3.035 1.00 0.00 C ATOM 374 CG LYS A 25 -0.374 16.790 3.266 1.00 0.00 C ATOM 375 CD LYS A 25 1.053 16.276 3.504 1.00 0.00 C ATOM 376 CE LYS A 25 2.020 17.410 3.864 1.00 0.00 C ATOM 377 NZ LYS A 25 1.716 17.990 5.184 1.00 0.00 N ATOM 0 H LYS A 25 -3.145 14.000 3.033 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.012 16.786 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.285 14.947 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.935 15.006 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.395 17.455 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.713 17.370 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.044 15.539 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.409 15.767 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.042 17.031 3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.966 18.189 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.484 18.631 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.823 18.521 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.626 17.228 5.886 1.00 0.00 H new ATOM 391 N ILE A 26 -2.963 15.805 0.331 1.00 0.00 N ATOM 392 CA ILE A 26 -3.322 16.252 -1.011 1.00 0.00 C ATOM 393 C ILE A 26 -4.776 16.750 -1.012 1.00 0.00 C ATOM 394 O ILE A 26 -5.102 17.734 -1.673 1.00 0.00 O ATOM 395 CB ILE A 26 -3.087 15.116 -2.028 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.601 14.709 -2.047 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.531 15.557 -3.433 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.354 13.397 -2.799 1.00 0.00 C ATOM 0 H ILE A 26 -2.760 14.808 0.400 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.687 17.085 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.681 14.254 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.017 15.504 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.244 14.608 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.359 14.746 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.592 15.807 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.957 16.432 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.290 13.161 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.913 12.593 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.683 13.503 -3.833 1.00 0.00 H new ATOM 410 N GLY A 27 -5.653 16.044 -0.296 1.00 0.00 N ATOM 411 CA GLY A 27 -7.085 16.277 -0.256 1.00 0.00 C ATOM 412 C GLY A 27 -7.764 15.581 -1.431 1.00 0.00 C ATOM 413 O GLY A 27 -8.883 15.933 -1.798 1.00 0.00 O ATOM 0 H GLY A 27 -5.366 15.263 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.495 15.905 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.288 17.347 -0.291 1.00 0.00 H new ATOM 417 N GLN A 28 -7.100 14.578 -2.021 1.00 0.00 N ATOM 418 CA GLN A 28 -7.521 13.986 -3.288 1.00 0.00 C ATOM 419 C GLN A 28 -8.929 13.397 -3.180 1.00 0.00 C ATOM 420 O GLN A 28 -9.705 13.464 -4.129 1.00 0.00 O ATOM 421 CB GLN A 28 -6.501 12.924 -3.733 1.00 0.00 C ATOM 422 CG GLN A 28 -6.667 12.529 -5.208 1.00 0.00 C ATOM 423 CD GLN A 28 -6.293 13.663 -6.156 1.00 0.00 C ATOM 424 OE1 GLN A 28 -7.151 14.268 -6.785 1.00 0.00 O ATOM 425 NE2 GLN A 28 -5.003 13.961 -6.273 1.00 0.00 N ATOM 0 H GLN A 28 -6.257 14.158 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.557 14.769 -4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.492 13.305 -3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.609 12.037 -3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.045 11.660 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.700 12.233 -5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.309 13.441 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.707 14.710 -6.899 1.00 0.00 H new ATOM 434 N TYR A 29 -9.250 12.828 -2.014 1.00 0.00 N ATOM 435 CA TYR A 29 -10.571 12.298 -1.700 1.00 0.00 C ATOM 436 C TYR A 29 -11.175 13.072 -0.524 1.00 0.00 C ATOM 437 O TYR A 29 -11.899 12.519 0.301 1.00 0.00 O ATOM 438 CB TYR A 29 -10.467 10.782 -1.446 1.00 0.00 C ATOM 439 CG TYR A 29 -11.347 9.943 -2.351 1.00 0.00 C ATOM 440 CD1 TYR A 29 -12.744 10.104 -2.307 1.00 0.00 C ATOM 441 CD2 TYR A 29 -10.774 9.069 -3.294 1.00 0.00 C ATOM 442 CE1 TYR A 29 -13.561 9.421 -3.225 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.596 8.358 -4.187 1.00 0.00 C ATOM 444 CZ TYR A 29 -12.986 8.562 -4.174 1.00 0.00 C ATOM 445 OH TYR A 29 -13.790 7.882 -5.035 1.00 0.00 O ATOM 0 H TYR A 29 -8.582 12.723 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.251 12.433 -2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.430 10.473 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.732 10.579 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.189 10.753 -1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.702 8.944 -3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.632 9.558 -3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.159 7.656 -4.882 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.522 6.940 -5.058 1.00 0.00 H new ATOM 455 N GLY A 30 -10.874 14.369 -0.439 1.00 0.00 N ATOM 456 CA GLY A 30 -11.227 15.165 0.723 1.00 0.00 C ATOM 457 C GLY A 30 -10.477 14.644 1.950 1.00 0.00 C ATOM 458 O GLY A 30 -9.335 14.204 1.836 1.00 0.00 O ATOM 0 H GLY A 30 -10.384 14.887 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.977 16.212 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.302 15.119 0.895 1.00 0.00 H new ATOM 462 N ARG A 31 -11.120 14.707 3.119 1.00 0.00 N ATOM 463 CA ARG A 31 -10.548 14.312 4.397 1.00 0.00 C ATOM 464 C ARG A 31 -11.173 12.985 4.833 1.00 0.00 C ATOM 465 O ARG A 31 -12.180 12.972 5.537 1.00 0.00 O ATOM 466 CB ARG A 31 -10.793 15.439 5.411 1.00 0.00 C ATOM 467 CG ARG A 31 -10.032 15.209 6.724 1.00 0.00 C ATOM 468 CD ARG A 31 -10.362 16.306 7.744 1.00 0.00 C ATOM 469 NE ARG A 31 -9.974 17.638 7.255 1.00 0.00 N ATOM 470 CZ ARG A 31 -10.259 18.790 7.877 1.00 0.00 C ATOM 471 NH1 ARG A 31 -10.903 18.785 9.050 1.00 0.00 N ATOM 472 NH2 ARG A 31 -9.896 19.948 7.317 1.00 0.00 N ATOM 0 H ARG A 31 -12.079 15.044 3.198 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.472 14.157 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.486 16.390 4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.860 15.513 5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.293 14.234 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.959 15.197 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.431 16.294 7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.846 16.098 8.682 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.451 17.688 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.180 17.901 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.117 19.666 9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.406 19.950 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.109 20.829 7.784 1.00 0.00 H new ATOM 486 N LEU A 32 -10.585 11.862 4.417 1.00 0.00 N ATOM 487 CA LEU A 32 -11.032 10.554 4.874 1.00 0.00 C ATOM 488 C LEU A 32 -10.669 10.375 6.350 1.00 0.00 C ATOM 489 O LEU A 32 -9.699 10.956 6.833 1.00 0.00 O ATOM 490 CB LEU A 32 -10.377 9.442 4.045 1.00 0.00 C ATOM 491 CG LEU A 32 -10.672 9.484 2.538 1.00 0.00 C ATOM 492 CD1 LEU A 32 -9.921 8.331 1.866 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.167 9.344 2.242 1.00 0.00 C ATOM 0 H LEU A 32 -9.800 11.836 3.766 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.113 10.491 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.298 9.493 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.706 8.479 4.436 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.346 10.450 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.118 8.344 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.851 8.444 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.259 7.383 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.329 9.379 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.528 8.392 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.710 10.161 2.718 1.00 0.00 H new ATOM 505 N THR A 33 -11.423 9.537 7.065 1.00 0.00 N ATOM 506 CA THR A 33 -11.119 9.162 8.439 1.00 0.00 C ATOM 507 C THR A 33 -10.663 7.709 8.426 1.00 0.00 C ATOM 508 O THR A 33 -11.494 6.815 8.296 1.00 0.00 O ATOM 509 CB THR A 33 -12.355 9.378 9.321 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.756 10.731 9.229 1.00 0.00 O ATOM 511 CG2 THR A 33 -12.067 9.067 10.793 1.00 0.00 C ATOM 0 H THR A 33 -12.268 9.098 6.699 1.00 0.00 H new ATOM 0 HA THR A 33 -10.324 9.779 8.858 1.00 0.00 H new ATOM 0 HB THR A 33 -13.136 8.704 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.547 10.877 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.968 9.233 11.383 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.755 8.027 10.891 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.272 9.720 11.154 1.00 0.00 H new ATOM 519 N PHE A 34 -9.353 7.470 8.522 1.00 0.00 N ATOM 520 CA PHE A 34 -8.803 6.121 8.610 1.00 0.00 C ATOM 521 C PHE A 34 -9.486 5.338 9.731 1.00 0.00 C ATOM 522 O PHE A 34 -9.843 5.905 10.765 1.00 0.00 O ATOM 523 CB PHE A 34 -7.294 6.203 8.861 1.00 0.00 C ATOM 524 CG PHE A 34 -6.611 4.897 9.205 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.123 4.058 8.187 1.00 0.00 C ATOM 526 CD2 PHE A 34 -6.498 4.502 10.550 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.481 2.855 8.517 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.853 3.301 10.877 1.00 0.00 C ATOM 529 CZ PHE A 34 -5.305 2.499 9.861 1.00 0.00 C ATOM 0 H PHE A 34 -8.647 8.206 8.541 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.984 5.599 7.671 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.819 6.616 7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.118 6.908 9.673 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.243 4.340 7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.908 5.124 11.331 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.122 2.203 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.777 2.992 11.909 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.749 1.609 10.116 1.00 0.00 H new ATOM 539 N ASN A 35 -9.678 4.033 9.526 1.00 0.00 N ATOM 540 CA ASN A 35 -10.189 3.137 10.555 1.00 0.00 C ATOM 541 C ASN A 35 -9.184 2.023 10.830 1.00 0.00 C ATOM 542 O ASN A 35 -8.623 1.962 11.921 1.00 0.00 O ATOM 543 CB ASN A 35 -11.559 2.583 10.159 1.00 0.00 C ATOM 544 CG ASN A 35 -12.655 3.632 9.986 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.674 3.346 9.368 1.00 0.00 O ATOM 546 ND2 ASN A 35 -12.492 4.849 10.492 1.00 0.00 N ATOM 0 H ASN A 35 -9.482 3.571 8.638 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.323 3.699 11.479 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.455 2.031 9.225 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.878 1.868 10.917 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.218 5.554 10.368 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.641 5.078 11.005 1.00 0.00 H new ATOM 553 N LYS A 36 -8.946 1.144 9.854 1.00 0.00 N ATOM 554 CA LYS A 36 -7.932 0.104 9.979 1.00 0.00 C ATOM 555 C LYS A 36 -7.553 -0.438 8.606 1.00 0.00 C ATOM 556 O LYS A 36 -8.250 -0.194 7.628 1.00 0.00 O ATOM 557 CB LYS A 36 -8.362 -1.029 10.933 1.00 0.00 C ATOM 558 CG LYS A 36 -9.595 -1.841 10.503 1.00 0.00 C ATOM 559 CD LYS A 36 -10.881 -1.296 11.132 1.00 0.00 C ATOM 560 CE LYS A 36 -12.065 -2.211 10.802 1.00 0.00 C ATOM 561 NZ LYS A 36 -13.294 -1.766 11.485 1.00 0.00 N ATOM 0 H LYS A 36 -9.447 1.135 8.965 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.050 0.562 10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.523 -1.715 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.561 -0.596 11.913 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.684 -1.820 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.463 -2.884 10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.761 -1.221 12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.076 -0.290 10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.229 -2.222 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.831 -3.233 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.077 -2.405 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.143 -1.779 12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.529 -0.799 11.182 1.00 0.00 H new ATOM 575 N VAL A 37 -6.457 -1.191 8.544 1.00 0.00 N ATOM 576 CA VAL A 37 -6.043 -1.936 7.366 1.00 0.00 C ATOM 577 C VAL A 37 -6.632 -3.344 7.448 1.00 0.00 C ATOM 578 O VAL A 37 -6.843 -3.851 8.548 1.00 0.00 O ATOM 579 CB VAL A 37 -4.512 -1.929 7.281 1.00 0.00 C ATOM 580 CG1 VAL A 37 -3.861 -2.623 8.480 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.010 -2.547 5.972 1.00 0.00 C ATOM 0 H VAL A 37 -5.819 -1.300 9.333 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.415 -1.478 6.450 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.213 -0.881 7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.777 -2.592 8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.150 -2.111 9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.192 -3.661 8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.920 -2.522 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.351 -3.580 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.401 -1.979 5.128 1.00 0.00 H new ATOM 591 N ILE A 38 -6.906 -3.961 6.298 1.00 0.00 N ATOM 592 CA ILE A 38 -7.480 -5.299 6.211 1.00 0.00 C ATOM 593 C ILE A 38 -6.887 -6.024 4.997 1.00 0.00 C ATOM 594 O ILE A 38 -6.105 -5.446 4.245 1.00 0.00 O ATOM 595 CB ILE A 38 -9.029 -5.248 6.206 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.639 -4.062 5.439 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.576 -5.195 7.639 1.00 0.00 C ATOM 598 CD1 ILE A 38 -9.333 -4.080 3.944 1.00 0.00 C ATOM 0 H ILE A 38 -6.731 -3.536 5.387 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.216 -5.875 7.098 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.321 -6.161 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.720 -4.066 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.265 -3.132 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.665 -5.160 7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.255 -6.083 8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.197 -4.305 8.141 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.794 -3.215 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.254 -4.045 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.732 -4.993 3.502 1.00 0.00 H new ATOM 610 N ARG A 39 -7.228 -7.303 4.828 1.00 0.00 N ATOM 611 CA ARG A 39 -6.810 -8.085 3.672 1.00 0.00 C ATOM 612 C ARG A 39 -7.640 -7.675 2.443 1.00 0.00 C ATOM 613 O ARG A 39 -8.775 -7.233 2.613 1.00 0.00 O ATOM 614 CB ARG A 39 -6.943 -9.586 3.988 1.00 0.00 C ATOM 615 CG ARG A 39 -8.341 -10.025 4.460 1.00 0.00 C ATOM 616 CD ARG A 39 -8.377 -10.325 5.966 1.00 0.00 C ATOM 617 NE ARG A 39 -9.723 -10.735 6.393 1.00 0.00 N ATOM 618 CZ ARG A 39 -10.244 -11.963 6.249 1.00 0.00 C ATOM 619 NH1 ARG A 39 -9.543 -12.938 5.660 1.00 0.00 N ATOM 620 NH2 ARG A 39 -11.478 -12.211 6.701 1.00 0.00 N ATOM 0 H ARG A 39 -7.802 -7.823 5.492 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.763 -7.888 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.681 -10.155 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.217 -9.847 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.063 -9.241 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.647 -10.913 3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.662 -11.114 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.069 -9.440 6.523 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.309 -10.027 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.601 -12.752 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.950 -13.868 5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.015 -11.470 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.882 -13.142 6.596 1.00 0.00 H new ATOM 634 N PRO A 40 -7.136 -7.853 1.211 1.00 0.00 N ATOM 635 CA PRO A 40 -5.803 -8.328 0.868 1.00 0.00 C ATOM 636 C PRO A 40 -4.755 -7.223 1.051 1.00 0.00 C ATOM 637 O PRO A 40 -5.082 -6.034 1.050 1.00 0.00 O ATOM 638 CB PRO A 40 -5.910 -8.776 -0.592 1.00 0.00 C ATOM 639 CG PRO A 40 -6.975 -7.846 -1.168 1.00 0.00 C ATOM 640 CD PRO A 40 -7.926 -7.632 0.010 1.00 0.00 C ATOM 0 HA PRO A 40 -5.477 -9.142 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.960 -8.672 -1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.204 -9.822 -0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.545 -6.906 -1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.484 -8.296 -2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.342 -6.625 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.766 -8.325 -0.037 1.00 0.00 H new ATOM 648 N CYS A 41 -3.494 -7.634 1.228 1.00 0.00 N ATOM 649 CA CYS A 41 -2.380 -6.734 1.492 1.00 0.00 C ATOM 650 C CYS A 41 -1.081 -7.380 1.012 1.00 0.00 C ATOM 651 O CYS A 41 -0.477 -8.173 1.734 1.00 0.00 O ATOM 652 CB CYS A 41 -2.330 -6.397 2.982 1.00 0.00 C ATOM 653 SG CYS A 41 -0.930 -5.304 3.272 1.00 0.00 S ATOM 0 H CYS A 41 -3.221 -8.616 1.190 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.514 -5.800 0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.257 -5.916 3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.229 -7.307 3.573 1.00 0.00 H new ATOM 0 HG CYS A 41 -1.266 -4.386 4.129 1.00 0.00 H new ATOM 659 N MET A 42 -0.684 -7.068 -0.221 1.00 0.00 N ATOM 660 CA MET A 42 0.402 -7.715 -0.950 1.00 0.00 C ATOM 661 C MET A 42 1.649 -6.837 -0.943 1.00 0.00 C ATOM 662 O MET A 42 1.539 -5.615 -0.851 1.00 0.00 O ATOM 663 CB MET A 42 -0.028 -7.994 -2.395 1.00 0.00 C ATOM 664 CG MET A 42 -0.783 -9.317 -2.550 1.00 0.00 C ATOM 665 SD MET A 42 -2.318 -9.494 -1.620 1.00 0.00 S ATOM 666 CE MET A 42 -3.002 -10.963 -2.419 1.00 0.00 C ATOM 0 H MET A 42 -1.130 -6.326 -0.760 1.00 0.00 H new ATOM 0 HA MET A 42 0.635 -8.658 -0.456 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.661 -7.178 -2.744 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.855 -8.009 -3.034 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.009 -9.457 -3.607 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.114 -10.126 -2.257 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.933 -11.245 -1.927 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.198 -10.748 -3.469 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.289 -11.784 -2.344 1.00 0.00 H new ATOM 676 N LYS A 43 2.820 -7.468 -1.089 1.00 0.00 N ATOM 677 CA LYS A 43 4.106 -6.821 -1.299 1.00 0.00 C ATOM 678 C LYS A 43 4.848 -7.529 -2.434 1.00 0.00 C ATOM 679 O LYS A 43 4.775 -8.758 -2.539 1.00 0.00 O ATOM 680 CB LYS A 43 4.923 -6.881 -0.001 1.00 0.00 C ATOM 681 CG LYS A 43 6.235 -6.088 -0.104 1.00 0.00 C ATOM 682 CD LYS A 43 7.115 -6.258 1.140 1.00 0.00 C ATOM 683 CE LYS A 43 7.788 -7.635 1.183 1.00 0.00 C ATOM 684 NZ LYS A 43 8.705 -7.746 2.331 1.00 0.00 N ATOM 0 H LYS A 43 2.893 -8.485 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 43 3.959 -5.776 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.326 -6.487 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.147 -7.921 0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.787 -6.416 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.008 -5.031 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.879 -5.481 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.508 -6.123 2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.027 -8.413 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.339 -7.802 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.145 -8.688 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.444 -7.018 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.173 -7.610 3.214 1.00 0.00 H new ATOM 698 N LYS A 44 5.580 -6.758 -3.252 1.00 0.00 N ATOM 699 CA LYS A 44 6.522 -7.287 -4.231 1.00 0.00 C ATOM 700 C LYS A 44 7.722 -6.351 -4.423 1.00 0.00 C ATOM 701 O LYS A 44 7.586 -5.132 -4.350 1.00 0.00 O ATOM 702 CB LYS A 44 5.789 -7.566 -5.546 1.00 0.00 C ATOM 703 CG LYS A 44 6.625 -8.324 -6.589 1.00 0.00 C ATOM 704 CD LYS A 44 6.829 -7.477 -7.850 1.00 0.00 C ATOM 705 CE LYS A 44 7.845 -8.129 -8.794 1.00 0.00 C ATOM 706 NZ LYS A 44 7.402 -9.456 -9.256 1.00 0.00 N ATOM 0 H LYS A 44 5.529 -5.739 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 44 6.929 -8.227 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.889 -8.142 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.466 -6.618 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.593 -8.587 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.127 -9.258 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.877 -7.352 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.174 -6.481 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.006 -7.481 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.803 -8.225 -8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.484 -9.508 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.998 -10.191 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.411 -9.607 -8.979 1.00 0.00 H new ATOM 720 N THR A 45 8.903 -6.928 -4.656 1.00 0.00 N ATOM 721 CA THR A 45 10.146 -6.209 -4.914 1.00 0.00 C ATOM 722 C THR A 45 10.084 -5.423 -6.233 1.00 0.00 C ATOM 723 O THR A 45 9.603 -5.955 -7.229 1.00 0.00 O ATOM 724 CB THR A 45 11.274 -7.247 -4.960 1.00 0.00 C ATOM 725 OG1 THR A 45 11.095 -8.170 -3.902 1.00 0.00 O ATOM 726 CG2 THR A 45 12.656 -6.603 -4.838 1.00 0.00 C ATOM 0 H THR A 45 9.021 -7.941 -4.670 1.00 0.00 H new ATOM 0 HA THR A 45 10.320 -5.478 -4.124 1.00 0.00 H new ATOM 0 HB THR A 45 11.227 -7.749 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.812 -8.838 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.423 -7.377 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.806 -5.904 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.726 -6.069 -3.891 1.00 0.00 H new ATOM 734 N ILE A 46 10.613 -4.192 -6.264 1.00 0.00 N ATOM 735 CA ILE A 46 10.695 -3.339 -7.450 1.00 0.00 C ATOM 736 C ILE A 46 12.177 -3.156 -7.816 1.00 0.00 C ATOM 737 O ILE A 46 13.018 -2.813 -6.981 1.00 0.00 O ATOM 738 CB ILE A 46 9.866 -2.055 -7.237 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.575 -2.049 -8.078 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.621 -0.753 -7.523 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.664 -3.254 -7.824 1.00 0.00 C ATOM 0 H ILE A 46 11.008 -3.751 -5.434 1.00 0.00 H new ATOM 0 HA ILE A 46 10.237 -3.794 -8.328 1.00 0.00 H new ATOM 0 HB ILE A 46 9.631 -2.082 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.020 -1.135 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.841 -2.023 -9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.961 0.096 -7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.487 -0.682 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.953 -0.745 -8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.777 -3.178 -8.452 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.200 -4.172 -8.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.366 -3.270 -6.776 1.00 0.00 H new ATOM 753 N TYR A 47 12.519 -3.440 -9.074 1.00 0.00 N ATOM 754 CA TYR A 47 13.896 -3.651 -9.494 1.00 0.00 C ATOM 755 C TYR A 47 14.026 -3.534 -11.007 1.00 0.00 C ATOM 756 O TYR A 47 13.021 -3.355 -11.694 1.00 0.00 O ATOM 757 CB TYR A 47 14.321 -5.047 -9.020 1.00 0.00 C ATOM 758 CG TYR A 47 13.687 -6.231 -9.713 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.465 -6.739 -9.237 1.00 0.00 C ATOM 760 CD2 TYR A 47 14.449 -6.987 -10.625 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.011 -7.994 -9.669 1.00 0.00 C ATOM 762 CE2 TYR A 47 13.992 -8.239 -11.061 1.00 0.00 C ATOM 763 CZ TYR A 47 12.771 -8.746 -10.580 1.00 0.00 C ATOM 764 OH TYR A 47 12.341 -9.982 -10.957 1.00 0.00 O ATOM 0 H TYR A 47 11.841 -3.529 -9.831 1.00 0.00 H new ATOM 0 HA TYR A 47 14.542 -2.890 -9.056 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.402 -5.128 -9.133 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.105 -5.123 -7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.876 -6.163 -8.539 1.00 0.00 H new ATOM 0 HD2 TYR A 47 15.389 -6.601 -10.990 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.074 -8.383 -9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.576 -8.813 -11.765 1.00 0.00 H new ATOM 0 HH TYR A 47 12.978 -10.370 -11.592 1.00 0.00 H new ATOM 774 N GLU A 48 15.254 -3.663 -11.515 1.00 0.00 N ATOM 775 CA GLU A 48 15.546 -3.804 -12.926 1.00 0.00 C ATOM 776 C GLU A 48 16.632 -4.864 -13.100 1.00 0.00 C ATOM 777 O GLU A 48 17.318 -5.254 -12.153 1.00 0.00 O ATOM 778 CB GLU A 48 15.963 -2.462 -13.553 1.00 0.00 C ATOM 779 CG GLU A 48 14.745 -1.722 -14.117 1.00 0.00 C ATOM 780 CD GLU A 48 15.157 -0.455 -14.853 1.00 0.00 C ATOM 781 OE1 GLU A 48 15.769 -0.602 -15.933 1.00 0.00 O ATOM 782 OE2 GLU A 48 14.853 0.636 -14.326 1.00 0.00 O ATOM 0 H GLU A 48 16.090 -3.671 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 48 14.645 -4.122 -13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.455 -1.843 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.688 -2.637 -14.348 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.201 -2.378 -14.796 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.064 -1.468 -13.305 1.00 0.00 H new ATOM 789 N ASN A 49 16.719 -5.328 -14.344 1.00 0.00 N ATOM 790 CA ASN A 49 17.616 -6.368 -14.836 1.00 0.00 C ATOM 791 C ASN A 49 18.611 -5.794 -15.844 1.00 0.00 C ATOM 792 O ASN A 49 19.781 -6.169 -15.853 1.00 0.00 O ATOM 793 CB ASN A 49 16.784 -7.476 -15.484 1.00 0.00 C ATOM 794 CG ASN A 49 17.679 -8.580 -16.033 1.00 0.00 C ATOM 795 OD1 ASN A 49 18.225 -9.373 -15.274 1.00 0.00 O ATOM 796 ND2 ASN A 49 17.831 -8.654 -17.351 1.00 0.00 N ATOM 0 H ASN A 49 16.123 -4.961 -15.086 1.00 0.00 H new ATOM 0 HA ASN A 49 18.185 -6.776 -14.000 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.094 -7.893 -14.751 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.180 -7.058 -16.289 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.415 -9.385 -17.757 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.364 -7.980 -17.957 1.00 0.00 H new ATOM 803 N GLU A 50 18.128 -4.912 -16.727 1.00 0.00 N ATOM 804 CA GLU A 50 18.968 -4.224 -17.696 1.00 0.00 C ATOM 805 C GLU A 50 20.061 -3.432 -16.975 1.00 0.00 C ATOM 806 O GLU A 50 19.874 -2.982 -15.844 1.00 0.00 O ATOM 807 CB GLU A 50 18.115 -3.303 -18.576 1.00 0.00 C ATOM 808 CG GLU A 50 17.101 -4.094 -19.411 1.00 0.00 C ATOM 809 CD GLU A 50 16.338 -3.177 -20.360 1.00 0.00 C ATOM 810 OE1 GLU A 50 16.959 -2.752 -21.358 1.00 0.00 O ATOM 811 OE2 GLU A 50 15.152 -2.913 -20.065 1.00 0.00 O ATOM 0 H GLU A 50 17.141 -4.660 -16.784 1.00 0.00 H new ATOM 0 HA GLU A 50 19.447 -4.962 -18.339 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.588 -2.585 -17.947 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.764 -2.730 -19.239 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.618 -4.865 -19.982 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.400 -4.604 -18.750 1.00 0.00 H new ATOM 818 N GLY A 51 21.219 -3.278 -17.621 1.00 0.00 N ATOM 819 CA GLY A 51 22.401 -2.736 -16.975 1.00 0.00 C ATOM 820 C GLY A 51 22.999 -3.797 -16.062 1.00 0.00 C ATOM 821 O GLY A 51 24.061 -4.344 -16.348 1.00 0.00 O ATOM 0 H GLY A 51 21.356 -3.526 -18.601 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.131 -2.429 -17.724 1.00 0.00 H new ATOM 0 HA3 GLY A 51 22.141 -1.847 -16.400 1.00 0.00 H new ATOM 825 N PHE A 52 22.292 -4.106 -14.977 1.00 0.00 N ATOM 826 CA PHE A 52 22.592 -5.216 -14.095 1.00 0.00 C ATOM 827 C PHE A 52 21.354 -5.566 -13.273 1.00 0.00 C ATOM 828 O PHE A 52 20.443 -4.751 -13.145 1.00 0.00 O ATOM 829 CB PHE A 52 23.768 -4.845 -13.185 1.00 0.00 C ATOM 830 CG PHE A 52 24.484 -6.042 -12.592 1.00 0.00 C ATOM 831 CD1 PHE A 52 25.235 -6.887 -13.432 1.00 0.00 C ATOM 832 CD2 PHE A 52 24.388 -6.329 -11.217 1.00 0.00 C ATOM 833 CE1 PHE A 52 25.876 -8.020 -12.902 1.00 0.00 C ATOM 834 CE2 PHE A 52 25.044 -7.452 -10.687 1.00 0.00 C ATOM 835 CZ PHE A 52 25.779 -8.304 -11.529 1.00 0.00 C ATOM 0 H PHE A 52 21.473 -3.572 -14.685 1.00 0.00 H new ATOM 0 HA PHE A 52 22.873 -6.090 -14.683 1.00 0.00 H new ATOM 0 HB2 PHE A 52 24.483 -4.251 -13.755 1.00 0.00 H new ATOM 0 HB3 PHE A 52 23.403 -4.214 -12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 52 25.318 -6.664 -14.485 1.00 0.00 H new ATOM 0 HD2 PHE A 52 23.810 -5.686 -10.570 1.00 0.00 H new ATOM 0 HE1 PHE A 52 26.443 -8.672 -13.550 1.00 0.00 H new ATOM 0 HE2 PHE A 52 24.983 -7.661 -9.629 1.00 0.00 H new ATOM 0 HZ PHE A 52 26.269 -9.176 -11.121 1.00 0.00 H new ATOM 845 N ARG A 53 21.350 -6.764 -12.686 1.00 0.00 N ATOM 846 CA ARG A 53 20.342 -7.177 -11.723 1.00 0.00 C ATOM 847 C ARG A 53 20.435 -6.275 -10.488 1.00 0.00 C ATOM 848 O ARG A 53 21.417 -6.354 -9.752 1.00 0.00 O ATOM 849 CB ARG A 53 20.504 -8.670 -11.376 1.00 0.00 C ATOM 850 CG ARG A 53 21.947 -9.115 -11.082 1.00 0.00 C ATOM 851 CD ARG A 53 21.980 -10.533 -10.503 1.00 0.00 C ATOM 852 NE ARG A 53 23.359 -10.980 -10.256 1.00 0.00 N ATOM 853 CZ ARG A 53 24.118 -10.621 -9.209 1.00 0.00 C ATOM 854 NH1 ARG A 53 23.655 -9.763 -8.294 1.00 0.00 N ATOM 855 NH2 ARG A 53 25.349 -11.129 -9.085 1.00 0.00 N ATOM 0 H ARG A 53 22.055 -7.477 -12.871 1.00 0.00 H new ATOM 0 HA ARG A 53 19.346 -7.066 -12.151 1.00 0.00 H new ATOM 0 HB2 ARG A 53 19.886 -8.895 -10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.118 -9.264 -12.204 1.00 0.00 H new ATOM 0 HG2 ARG A 53 22.536 -9.079 -11.999 1.00 0.00 H new ATOM 0 HG3 ARG A 53 22.409 -8.421 -10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 53 21.415 -10.560 -9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 53 21.491 -11.221 -11.193 1.00 0.00 H new ATOM 0 HE ARG A 53 23.773 -11.616 -10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 53 22.717 -9.375 -8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 53 24.240 -9.497 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 53 25.703 -11.783 -9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 53 25.933 -10.862 -8.293 1.00 0.00 H new ATOM 869 N GLU A 54 19.443 -5.406 -10.251 1.00 0.00 N ATOM 870 CA GLU A 54 19.479 -4.509 -9.111 1.00 0.00 C ATOM 871 C GLU A 54 18.078 -4.101 -8.645 1.00 0.00 C ATOM 872 O GLU A 54 17.273 -3.583 -9.423 1.00 0.00 O ATOM 873 CB GLU A 54 20.374 -3.294 -9.414 1.00 0.00 C ATOM 874 CG GLU A 54 20.715 -2.480 -8.160 1.00 0.00 C ATOM 875 CD GLU A 54 21.446 -3.313 -7.114 1.00 0.00 C ATOM 876 OE1 GLU A 54 22.691 -3.380 -7.203 1.00 0.00 O ATOM 877 OE2 GLU A 54 20.746 -3.883 -6.251 1.00 0.00 O ATOM 0 H GLU A 54 18.613 -5.313 -10.837 1.00 0.00 H new ATOM 0 HA GLU A 54 19.921 -5.049 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.297 -3.636 -9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.871 -2.649 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.333 -1.627 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.798 -2.081 -7.728 1.00 0.00 H new ATOM 884 N ILE A 55 17.818 -4.329 -7.353 1.00 0.00 N ATOM 885 CA ILE A 55 16.656 -3.831 -6.625 1.00 0.00 C ATOM 886 C ILE A 55 16.761 -2.312 -6.485 1.00 0.00 C ATOM 887 O ILE A 55 17.823 -1.803 -6.137 1.00 0.00 O ATOM 888 CB ILE A 55 16.541 -4.533 -5.256 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.370 -6.051 -5.465 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.363 -3.960 -4.447 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.375 -6.847 -4.156 1.00 0.00 C ATOM 0 H ILE A 55 18.438 -4.888 -6.767 1.00 0.00 H new ATOM 0 HA ILE A 55 15.745 -4.058 -7.178 1.00 0.00 H new ATOM 0 HB ILE A 55 17.454 -4.354 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.433 -6.235 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.172 -6.415 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.300 -4.469 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.518 -2.894 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.435 -4.111 -4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.251 -7.908 -4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.322 -6.692 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.556 -6.509 -3.521 1.00 0.00 H new ATOM 903 N LYS A 56 15.659 -1.596 -6.736 1.00 0.00 N ATOM 904 CA LYS A 56 15.585 -0.149 -6.544 1.00 0.00 C ATOM 905 C LYS A 56 14.549 0.228 -5.481 1.00 0.00 C ATOM 906 O LYS A 56 14.619 1.315 -4.907 1.00 0.00 O ATOM 907 CB LYS A 56 15.367 0.568 -7.887 1.00 0.00 C ATOM 908 CG LYS A 56 14.001 0.312 -8.543 1.00 0.00 C ATOM 909 CD LYS A 56 13.972 0.984 -9.922 1.00 0.00 C ATOM 910 CE LYS A 56 12.612 0.856 -10.612 1.00 0.00 C ATOM 911 NZ LYS A 56 12.292 -0.539 -10.958 1.00 0.00 N ATOM 0 H LYS A 56 14.792 -2.009 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 56 16.543 0.198 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.484 1.641 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.150 0.258 -8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.827 -0.759 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.202 0.707 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.222 2.039 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.740 0.539 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.836 1.253 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.607 1.463 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.334 -0.586 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.979 -0.890 -11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.336 -1.128 -10.102 1.00 0.00 H new ATOM 925 N GLY A 57 13.587 -0.654 -5.195 1.00 0.00 N ATOM 926 CA GLY A 57 12.531 -0.332 -4.258 1.00 0.00 C ATOM 927 C GLY A 57 11.647 -1.541 -3.983 1.00 0.00 C ATOM 928 O GLY A 57 11.984 -2.658 -4.374 1.00 0.00 O ATOM 0 H GLY A 57 13.526 -1.588 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.967 0.023 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.924 0.482 -4.656 1.00 0.00 H new ATOM 932 N TYR A 58 10.499 -1.318 -3.341 1.00 0.00 N ATOM 933 CA TYR A 58 9.432 -2.299 -3.192 1.00 0.00 C ATOM 934 C TYR A 58 8.124 -1.633 -3.612 1.00 0.00 C ATOM 935 O TYR A 58 8.057 -0.404 -3.687 1.00 0.00 O ATOM 936 CB TYR A 58 9.311 -2.783 -1.738 1.00 0.00 C ATOM 937 CG TYR A 58 10.597 -3.103 -0.992 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.603 -3.884 -1.590 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.769 -2.654 0.332 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.830 -4.079 -0.935 1.00 0.00 C ATOM 941 CE2 TYR A 58 11.983 -2.884 1.003 1.00 0.00 C ATOM 942 CZ TYR A 58 13.035 -3.540 0.345 1.00 0.00 C ATOM 943 OH TYR A 58 14.249 -3.674 0.950 1.00 0.00 O ATOM 0 H TYR A 58 10.284 -0.424 -2.900 1.00 0.00 H new ATOM 0 HA TYR A 58 9.654 -3.167 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.776 -2.019 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.688 -3.678 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.431 -4.335 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.967 -2.132 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.615 -4.643 -1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.106 -2.556 2.025 1.00 0.00 H new ATOM 0 HH TYR A 58 14.225 -3.244 1.831 1.00 0.00 H new ATOM 953 N GLU A 59 7.088 -2.438 -3.844 1.00 0.00 N ATOM 954 CA GLU A 59 5.709 -2.013 -4.029 1.00 0.00 C ATOM 955 C GLU A 59 4.858 -2.797 -3.034 1.00 0.00 C ATOM 956 O GLU A 59 5.167 -3.957 -2.749 1.00 0.00 O ATOM 957 CB GLU A 59 5.275 -2.248 -5.480 1.00 0.00 C ATOM 958 CG GLU A 59 3.882 -1.672 -5.766 1.00 0.00 C ATOM 959 CD GLU A 59 3.504 -1.854 -7.231 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.117 -2.992 -7.580 1.00 0.00 O ATOM 961 OE2 GLU A 59 3.632 -0.864 -7.984 1.00 0.00 O ATOM 0 H GLU A 59 7.197 -3.450 -3.910 1.00 0.00 H new ATOM 0 HA GLU A 59 5.590 -0.946 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.001 -1.792 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.274 -3.318 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.144 -2.165 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.864 -0.612 -5.511 1.00 0.00 H new ATOM 968 N TYR A 60 3.814 -2.163 -2.498 1.00 0.00 N ATOM 969 CA TYR A 60 2.848 -2.756 -1.597 1.00 0.00 C ATOM 970 C TYR A 60 1.487 -2.390 -2.166 1.00 0.00 C ATOM 971 O TYR A 60 1.300 -1.234 -2.534 1.00 0.00 O ATOM 972 CB TYR A 60 2.989 -2.182 -0.182 1.00 0.00 C ATOM 973 CG TYR A 60 4.311 -2.438 0.514 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.446 -1.673 0.184 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.370 -3.342 1.592 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.648 -1.858 0.888 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.560 -3.492 2.324 1.00 0.00 C ATOM 978 CZ TYR A 60 6.707 -2.769 1.955 1.00 0.00 C ATOM 979 OH TYR A 60 7.885 -2.974 2.614 1.00 0.00 O ATOM 0 H TYR A 60 3.618 -1.181 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 60 2.991 -3.834 -1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.831 -1.105 -0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.191 -2.593 0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.393 -0.944 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.498 -3.922 1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.528 -1.298 0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.593 -4.163 3.170 1.00 0.00 H new ATOM 0 HH TYR A 60 7.751 -3.634 3.326 1.00 0.00 H new ATOM 989 N GLN A 61 0.559 -3.341 -2.258 1.00 0.00 N ATOM 990 CA GLN A 61 -0.761 -3.126 -2.833 1.00 0.00 C ATOM 991 C GLN A 61 -1.775 -3.685 -1.841 1.00 0.00 C ATOM 992 O GLN A 61 -1.780 -4.891 -1.605 1.00 0.00 O ATOM 993 CB GLN A 61 -0.818 -3.800 -4.210 1.00 0.00 C ATOM 994 CG GLN A 61 -2.060 -3.369 -4.993 1.00 0.00 C ATOM 995 CD GLN A 61 -2.000 -3.832 -6.446 1.00 0.00 C ATOM 996 OE1 GLN A 61 -1.978 -3.020 -7.367 1.00 0.00 O ATOM 997 NE2 GLN A 61 -1.980 -5.143 -6.665 1.00 0.00 N ATOM 0 H GLN A 61 0.708 -4.295 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.987 -2.072 -2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.077 -3.547 -4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.822 -4.883 -4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.951 -3.779 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.152 -2.283 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.999 -5.792 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.945 -5.500 -7.620 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.587 -2.827 -1.217 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.379 -3.221 -0.060 1.00 0.00 C ATOM 1008 C LEU A 62 -4.694 -2.463 0.021 1.00 0.00 C ATOM 1009 O LEU A 62 -4.832 -1.400 -0.580 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.531 -3.027 1.207 1.00 0.00 C ATOM 1011 CG LEU A 62 -2.111 -1.567 1.479 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -3.042 -0.886 2.490 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.684 -1.531 2.037 1.00 0.00 C ATOM 0 H LEU A 62 -2.710 -1.854 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.650 -4.272 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.093 -3.396 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.634 -3.641 1.126 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.169 -1.032 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.713 0.140 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.060 -0.882 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.015 -1.431 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.394 -0.498 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.643 -2.096 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.001 -1.973 1.314 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.656 -3.010 0.770 1.00 0.00 N ATOM 1026 CA TYR A 63 -6.911 -2.357 1.063 1.00 0.00 C ATOM 1027 C TYR A 63 -6.908 -1.805 2.488 1.00 0.00 C ATOM 1028 O TYR A 63 -6.401 -2.432 3.419 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.056 -3.340 0.828 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.531 -3.382 -0.610 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.870 -4.188 -1.551 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.589 -2.552 -1.023 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -8.341 -4.256 -2.874 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -10.045 -2.599 -2.350 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.433 -3.466 -3.271 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.833 -3.473 -4.573 1.00 0.00 O ATOM 0 H TYR A 63 -5.572 -3.935 1.191 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.051 -1.506 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.734 -4.338 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.894 -3.070 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.999 -4.756 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.051 -1.877 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.864 -4.915 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.865 -1.970 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.602 -2.875 -4.682 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.481 -0.612 2.638 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.625 0.108 3.886 1.00 0.00 C ATOM 1048 C VAL A 64 -9.096 0.476 4.086 1.00 0.00 C ATOM 1049 O VAL A 64 -9.753 0.961 3.165 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.672 1.316 3.885 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -7.025 2.395 2.851 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.585 1.944 5.278 1.00 0.00 C ATOM 0 H VAL A 64 -7.875 -0.102 1.847 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.342 -0.508 4.739 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.701 0.914 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.305 3.211 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.995 1.964 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.026 2.778 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.905 2.796 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.575 2.279 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.213 1.205 5.988 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.614 0.228 5.289 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.923 0.676 5.723 1.00 0.00 C ATOM 1064 C TYR A 65 -10.776 2.105 6.250 1.00 0.00 C ATOM 1065 O TYR A 65 -10.041 2.345 7.214 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.491 -0.268 6.803 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.749 -1.019 6.403 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.842 -0.325 5.851 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.858 -2.401 6.646 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.984 -1.026 5.432 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -14.015 -3.098 6.259 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.073 -2.411 5.636 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.173 -3.089 5.207 1.00 0.00 O ATOM 0 H TYR A 65 -9.116 -0.305 6.002 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.627 0.661 4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.723 -0.993 7.070 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.704 0.316 7.699 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.802 0.749 5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.050 -2.927 7.132 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.795 -0.498 4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.092 -4.160 6.440 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.077 -4.040 5.424 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.478 3.047 5.619 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.543 4.435 6.043 1.00 0.00 C ATOM 1085 C ALA A 66 -13.004 4.865 5.993 1.00 0.00 C ATOM 1086 O ALA A 66 -13.686 4.611 5.004 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.665 5.300 5.137 1.00 0.00 C ATOM 0 H ALA A 66 -12.027 2.856 4.781 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.166 4.554 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.720 6.339 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.632 4.956 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.017 5.223 4.108 1.00 0.00 H new ATOM 1093 N SER A 67 -13.499 5.478 7.070 1.00 0.00 N ATOM 1094 CA SER A 67 -14.881 5.933 7.200 1.00 0.00 C ATOM 1095 C SER A 67 -15.877 4.814 6.861 1.00 0.00 C ATOM 1096 O SER A 67 -16.877 5.056 6.185 1.00 0.00 O ATOM 1097 CB SER A 67 -15.094 7.175 6.322 1.00 0.00 C ATOM 1098 OG SER A 67 -16.386 7.706 6.529 1.00 0.00 O ATOM 0 H SER A 67 -12.934 5.676 7.896 1.00 0.00 H new ATOM 0 HA SER A 67 -15.068 6.206 8.239 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.342 7.928 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.965 6.913 5.272 1.00 0.00 H new ATOM 0 HG SER A 67 -17.055 7.007 6.376 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.583 3.595 7.324 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.318 2.371 7.033 1.00 0.00 C ATOM 1106 C ASP A 68 -16.575 2.183 5.531 1.00 0.00 C ATOM 1107 O ASP A 68 -17.605 1.647 5.132 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.596 2.307 7.882 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.258 0.931 7.830 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.516 -0.069 7.902 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.508 0.908 7.746 1.00 0.00 O ATOM 0 H ASP A 68 -14.787 3.433 7.941 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.696 1.522 7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.355 2.553 8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.301 3.060 7.531 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.618 2.591 4.693 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.597 2.303 3.271 1.00 0.00 C ATOM 1118 C LYS A 69 -14.236 1.701 2.936 1.00 0.00 C ATOM 1119 O LYS A 69 -13.217 2.090 3.513 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.859 3.582 2.471 1.00 0.00 C ATOM 1121 CG LYS A 69 -17.310 4.046 2.642 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.561 5.314 1.816 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.046 5.687 1.871 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.314 6.931 1.130 1.00 0.00 N ATOM 0 H LYS A 69 -14.819 3.145 5.001 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.381 1.594 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.180 4.368 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.652 3.405 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.992 3.256 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.515 4.242 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.956 6.135 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.256 5.151 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.642 4.876 1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.355 5.806 2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.328 7.157 1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.763 7.709 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.041 6.807 0.134 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.231 0.718 2.035 1.00 0.00 N ATOM 1139 CA LEU A 70 -13.039 -0.011 1.649 1.00 0.00 C ATOM 1140 C LEU A 70 -12.370 0.761 0.512 1.00 0.00 C ATOM 1141 O LEU A 70 -12.973 0.922 -0.546 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.446 -1.428 1.206 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.401 -2.487 1.582 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -12.605 -2.930 3.034 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.524 -3.703 0.656 1.00 0.00 C ATOM 0 H LEU A 70 -15.072 0.407 1.550 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.337 -0.106 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.401 -1.687 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.596 -1.438 0.126 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.408 -2.052 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.859 -3.682 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.498 -2.070 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.603 -3.354 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.778 -4.448 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.520 -4.135 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.362 -3.392 -0.376 1.00 0.00 H new ATOM 1157 N PHE A 71 -11.149 1.256 0.719 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.349 1.896 -0.317 1.00 0.00 C ATOM 1159 C PHE A 71 -9.123 1.036 -0.594 1.00 0.00 C ATOM 1160 O PHE A 71 -8.695 0.287 0.280 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.913 3.289 0.133 1.00 0.00 C ATOM 1162 CG PHE A 71 -11.021 4.324 0.140 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.819 4.497 1.286 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -11.185 5.182 -0.963 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.738 5.559 1.348 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -12.087 6.256 -0.892 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.872 6.440 0.260 1.00 0.00 C ATOM 0 H PHE A 71 -10.684 1.221 1.626 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.945 1.997 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.493 3.218 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.114 3.635 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.725 3.814 2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.616 5.014 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.342 5.699 2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.178 6.941 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.577 7.257 0.309 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.562 1.153 -1.796 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.360 0.452 -2.214 1.00 0.00 C ATOM 1179 C ARG A 72 -6.226 1.467 -2.313 1.00 0.00 C ATOM 1180 O ARG A 72 -6.441 2.570 -2.811 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.630 -0.241 -3.556 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.634 -1.370 -3.851 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.415 -0.909 -4.655 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.781 -0.640 -6.053 1.00 0.00 N ATOM 1185 CZ ARG A 72 -4.928 -0.764 -7.078 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -3.622 -0.886 -6.834 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -5.389 -0.784 -8.330 1.00 0.00 N ATOM 0 H ARG A 72 -8.946 1.757 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.074 -0.316 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.642 -0.646 -3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.584 0.497 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.297 -1.803 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.145 -2.161 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.996 -0.009 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.639 -1.674 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.736 -0.343 -6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.280 -0.884 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.965 -0.981 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.391 -0.705 -8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.740 -0.878 -9.111 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.029 1.100 -1.851 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.837 1.924 -1.941 1.00 0.00 C ATOM 1203 C ALA A 73 -2.674 1.077 -2.454 1.00 0.00 C ATOM 1204 O ALA A 73 -2.512 -0.074 -2.043 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.528 2.532 -0.572 1.00 0.00 C ATOM 0 H ALA A 73 -4.865 0.202 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.998 2.742 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.633 3.150 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.369 3.146 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.362 1.734 0.152 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.880 1.648 -3.362 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.611 1.108 -3.809 1.00 0.00 C ATOM 1213 C ASP A 74 0.471 2.071 -3.346 1.00 0.00 C ATOM 1214 O ASP A 74 0.466 3.241 -3.730 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.599 0.928 -5.325 1.00 0.00 C ATOM 1216 CG ASP A 74 0.693 0.256 -5.777 1.00 0.00 C ATOM 1217 OD1 ASP A 74 0.696 -0.992 -5.817 1.00 0.00 O ATOM 1218 OD2 ASP A 74 1.649 1.004 -6.069 1.00 0.00 O ATOM 0 H ASP A 74 -2.118 2.529 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.437 0.119 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.455 0.326 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.700 1.898 -5.812 1.00 0.00 H new ATOM 1223 N ILE A 75 1.347 1.575 -2.479 1.00 0.00 N ATOM 1224 CA ILE A 75 2.452 2.291 -1.866 1.00 0.00 C ATOM 1225 C ILE A 75 3.729 1.729 -2.489 1.00 0.00 C ATOM 1226 O ILE A 75 3.732 0.577 -2.919 1.00 0.00 O ATOM 1227 CB ILE A 75 2.451 2.048 -0.337 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.052 2.000 0.304 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.335 3.052 0.418 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.238 3.280 0.114 1.00 0.00 C ATOM 0 H ILE A 75 1.299 0.604 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 75 2.374 3.365 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 75 2.877 1.050 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.498 1.163 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.159 1.804 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.299 2.837 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.363 2.968 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.971 4.064 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.734 3.167 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.769 4.119 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.098 3.467 -0.951 1.00 0.00 H new ATOM 1242 N SER A 76 4.819 2.497 -2.509 1.00 0.00 N ATOM 1243 CA SER A 76 6.134 1.968 -2.840 1.00 0.00 C ATOM 1244 C SER A 76 7.127 2.372 -1.768 1.00 0.00 C ATOM 1245 O SER A 76 6.835 3.259 -0.969 1.00 0.00 O ATOM 1246 CB SER A 76 6.594 2.416 -4.235 1.00 0.00 C ATOM 1247 OG SER A 76 6.466 1.344 -5.145 1.00 0.00 O ATOM 0 H SER A 76 4.812 3.495 -2.297 1.00 0.00 H new ATOM 0 HA SER A 76 6.074 0.880 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.997 3.264 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.630 2.751 -4.197 1.00 0.00 H new ATOM 0 HG SER A 76 6.963 0.569 -4.809 1.00 0.00 H new ATOM 1253 N GLU A 77 8.279 1.695 -1.776 1.00 0.00 N ATOM 1254 CA GLU A 77 9.475 1.989 -1.005 1.00 0.00 C ATOM 1255 C GLU A 77 10.589 2.243 -2.012 1.00 0.00 C ATOM 1256 O GLU A 77 10.656 1.517 -3.002 1.00 0.00 O ATOM 1257 CB GLU A 77 9.784 0.800 -0.084 1.00 0.00 C ATOM 1258 CG GLU A 77 11.013 1.003 0.821 1.00 0.00 C ATOM 1259 CD GLU A 77 12.285 0.341 0.286 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.404 0.208 -0.949 1.00 0.00 O ATOM 1261 OE2 GLU A 77 13.121 -0.036 1.132 1.00 0.00 O ATOM 0 H GLU A 77 8.402 0.871 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 77 9.357 2.864 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.914 0.605 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.941 -0.088 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.193 2.071 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.794 0.603 1.811 1.00 0.00 H new ATOM 1268 N ASP A 78 11.437 3.246 -1.767 1.00 0.00 N ATOM 1269 CA ASP A 78 12.620 3.554 -2.553 1.00 0.00 C ATOM 1270 C ASP A 78 13.832 3.163 -1.719 1.00 0.00 C ATOM 1271 O ASP A 78 14.088 3.762 -0.669 1.00 0.00 O ATOM 1272 CB ASP A 78 12.654 5.050 -2.889 1.00 0.00 C ATOM 1273 CG ASP A 78 11.804 5.363 -4.111 1.00 0.00 C ATOM 1274 OD1 ASP A 78 10.569 5.211 -4.005 1.00 0.00 O ATOM 1275 OD2 ASP A 78 12.411 5.741 -5.138 1.00 0.00 O ATOM 0 H ASP A 78 11.307 3.886 -0.984 1.00 0.00 H new ATOM 0 HA ASP A 78 12.615 3.005 -3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.293 5.624 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.683 5.361 -3.070 1.00 0.00 H new ATOM 1280 N TYR A 79 14.578 2.163 -2.192 1.00 0.00 N ATOM 1281 CA TYR A 79 15.661 1.532 -1.455 1.00 0.00 C ATOM 1282 C TYR A 79 16.709 2.555 -1.016 1.00 0.00 C ATOM 1283 O TYR A 79 17.236 2.461 0.089 1.00 0.00 O ATOM 1284 CB TYR A 79 16.272 0.428 -2.325 1.00 0.00 C ATOM 1285 CG TYR A 79 17.333 -0.395 -1.626 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.957 -1.345 -0.657 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.694 -0.202 -1.928 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.940 -2.099 0.007 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.675 -0.957 -1.262 1.00 0.00 C ATOM 1290 CZ TYR A 79 19.298 -1.903 -0.294 1.00 0.00 C ATOM 1291 OH TYR A 79 20.257 -2.627 0.350 1.00 0.00 O ATOM 0 H TYR A 79 14.438 1.764 -3.120 1.00 0.00 H new ATOM 0 HA TYR A 79 15.267 1.088 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.476 -0.236 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.707 0.881 -3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.913 -1.494 -0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.985 0.526 -2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.651 -2.829 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.719 -0.810 -1.495 1.00 0.00 H new ATOM 0 HH TYR A 79 21.142 -2.365 0.019 1.00 0.00 H new ATOM 1301 N LYS A 80 16.966 3.560 -1.860 1.00 0.00 N ATOM 1302 CA LYS A 80 17.987 4.578 -1.678 1.00 0.00 C ATOM 1303 C LYS A 80 17.890 5.299 -0.335 1.00 0.00 C ATOM 1304 O LYS A 80 18.873 5.878 0.123 1.00 0.00 O ATOM 1305 CB LYS A 80 17.888 5.590 -2.825 1.00 0.00 C ATOM 1306 CG LYS A 80 18.398 5.033 -4.160 1.00 0.00 C ATOM 1307 CD LYS A 80 18.507 6.179 -5.174 1.00 0.00 C ATOM 1308 CE LYS A 80 19.137 5.700 -6.486 1.00 0.00 C ATOM 1309 NZ LYS A 80 19.328 6.821 -7.426 1.00 0.00 N ATOM 0 H LYS A 80 16.440 3.685 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 80 18.954 4.075 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.849 5.900 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.460 6.481 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.370 4.559 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.719 4.266 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.516 6.589 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 80 19.107 6.985 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.097 5.227 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.500 4.943 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.756 6.468 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.408 7.256 -7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.955 7.531 -6.997 1.00 0.00 H new ATOM 1323 N THR A 81 16.713 5.317 0.291 1.00 0.00 N ATOM 1324 CA THR A 81 16.592 5.829 1.656 1.00 0.00 C ATOM 1325 C THR A 81 15.575 5.009 2.458 1.00 0.00 C ATOM 1326 O THR A 81 15.115 5.450 3.506 1.00 0.00 O ATOM 1327 CB THR A 81 16.273 7.339 1.609 1.00 0.00 C ATOM 1328 OG1 THR A 81 17.022 7.953 0.577 1.00 0.00 O ATOM 1329 CG2 THR A 81 16.632 8.072 2.906 1.00 0.00 C ATOM 0 H THR A 81 15.839 4.987 -0.119 1.00 0.00 H new ATOM 0 HA THR A 81 17.538 5.717 2.185 1.00 0.00 H new ATOM 0 HB THR A 81 15.198 7.412 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.816 8.911 0.549 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.383 9.129 2.808 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.069 7.642 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.700 7.967 3.100 1.00 0.00 H new ATOM 1337 N ARG A 82 15.205 3.821 1.960 1.00 0.00 N ATOM 1338 CA ARG A 82 14.109 3.023 2.502 1.00 0.00 C ATOM 1339 C ARG A 82 12.850 3.882 2.707 1.00 0.00 C ATOM 1340 O ARG A 82 12.074 3.660 3.635 1.00 0.00 O ATOM 1341 CB ARG A 82 14.561 2.322 3.796 1.00 0.00 C ATOM 1342 CG ARG A 82 13.710 1.079 4.106 1.00 0.00 C ATOM 1343 CD ARG A 82 13.808 0.675 5.580 1.00 0.00 C ATOM 1344 NE ARG A 82 15.177 0.286 5.945 1.00 0.00 N ATOM 1345 CZ ARG A 82 15.535 -0.161 7.157 1.00 0.00 C ATOM 1346 NH1 ARG A 82 14.631 -0.249 8.137 1.00 0.00 N ATOM 1347 NH2 ARG A 82 16.803 -0.518 7.379 1.00 0.00 N ATOM 0 H ARG A 82 15.667 3.387 1.161 1.00 0.00 H new ATOM 0 HA ARG A 82 13.840 2.248 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.607 2.031 3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.497 3.022 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.669 1.279 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.037 0.249 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.486 1.506 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.129 -0.155 5.776 1.00 0.00 H new ATOM 0 HE ARG A 82 15.901 0.361 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.664 0.025 7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.908 -0.590 9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.491 -0.449 6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.083 -0.859 8.299 1.00 0.00 H new ATOM 1361 N GLY A 83 12.649 4.885 1.850 1.00 0.00 N ATOM 1362 CA GLY A 83 11.604 5.879 2.044 1.00 0.00 C ATOM 1363 C GLY A 83 10.380 5.442 1.269 1.00 0.00 C ATOM 1364 O GLY A 83 10.510 5.100 0.094 1.00 0.00 O ATOM 0 H GLY A 83 13.206 5.027 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.367 5.978 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.942 6.857 1.700 1.00 0.00 H new ATOM 1368 N ARG A 84 9.210 5.422 1.915 1.00 0.00 N ATOM 1369 CA ARG A 84 7.981 4.998 1.269 1.00 0.00 C ATOM 1370 C ARG A 84 7.119 6.168 0.823 1.00 0.00 C ATOM 1371 O ARG A 84 7.343 7.310 1.219 1.00 0.00 O ATOM 1372 CB ARG A 84 7.170 4.048 2.147 1.00 0.00 C ATOM 1373 CG ARG A 84 7.973 2.827 2.611 1.00 0.00 C ATOM 1374 CD ARG A 84 7.062 1.595 2.606 1.00 0.00 C ATOM 1375 NE ARG A 84 7.751 0.389 3.073 1.00 0.00 N ATOM 1376 CZ ARG A 84 7.964 0.056 4.353 1.00 0.00 C ATOM 1377 NH1 ARG A 84 7.685 0.913 5.340 1.00 0.00 N ATOM 1378 NH2 ARG A 84 8.450 -1.157 4.629 1.00 0.00 N ATOM 0 H ARG A 84 9.097 5.698 2.890 1.00 0.00 H new ATOM 0 HA ARG A 84 8.291 4.457 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.807 4.590 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.293 3.711 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.826 2.666 1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.370 2.997 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.196 1.784 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.687 1.428 1.596 1.00 0.00 H new ATOM 0 HE ARG A 84 8.099 -0.253 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.305 1.834 5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.852 0.646 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.652 -1.810 3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.619 -1.430 5.597 1.00 0.00 H new ATOM 1392 N LYS A 85 6.131 5.847 -0.012 1.00 0.00 N ATOM 1393 CA LYS A 85 5.336 6.838 -0.719 1.00 0.00 C ATOM 1394 C LYS A 85 4.074 6.221 -1.308 1.00 0.00 C ATOM 1395 O LYS A 85 4.124 5.111 -1.836 1.00 0.00 O ATOM 1396 CB LYS A 85 6.190 7.483 -1.821 1.00 0.00 C ATOM 1397 CG LYS A 85 6.579 6.472 -2.910 1.00 0.00 C ATOM 1398 CD LYS A 85 7.925 6.770 -3.576 1.00 0.00 C ATOM 1399 CE LYS A 85 7.952 8.049 -4.423 1.00 0.00 C ATOM 1400 NZ LYS A 85 8.014 9.270 -3.600 1.00 0.00 N ATOM 0 H LYS A 85 5.862 4.884 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 85 5.021 7.603 -0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.638 8.308 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.092 7.907 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.614 5.475 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.801 6.457 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.689 6.847 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.197 5.925 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.813 8.021 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.062 8.083 -5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.475 10.030 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.050 9.564 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.561 9.079 -2.736 1.00 0.00 H new ATOM 1414 N LEU A 86 2.953 6.940 -1.239 1.00 0.00 N ATOM 1415 CA LEU A 86 1.746 6.586 -1.965 1.00 0.00 C ATOM 1416 C LEU A 86 2.043 6.681 -3.464 1.00 0.00 C ATOM 1417 O LEU A 86 2.431 7.748 -3.937 1.00 0.00 O ATOM 1418 CB LEU A 86 0.630 7.561 -1.557 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.697 7.370 -2.306 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.265 5.967 -2.086 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.694 8.423 -1.809 1.00 0.00 C ATOM 0 H LEU A 86 2.863 7.785 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 86 1.423 5.571 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.446 7.454 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.980 8.580 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.521 7.489 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.204 5.865 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.553 5.225 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.443 5.809 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.643 8.301 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.851 8.298 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.298 9.420 -2.004 1.00 0.00 H new ATOM 1433 N LEU A 87 1.867 5.587 -4.208 1.00 0.00 N ATOM 1434 CA LEU A 87 1.945 5.601 -5.663 1.00 0.00 C ATOM 1435 C LEU A 87 0.578 5.993 -6.217 1.00 0.00 C ATOM 1436 O LEU A 87 0.461 6.992 -6.924 1.00 0.00 O ATOM 1437 CB LEU A 87 2.404 4.233 -6.200 1.00 0.00 C ATOM 1438 CG LEU A 87 3.866 4.221 -6.669 1.00 0.00 C ATOM 1439 CD1 LEU A 87 4.281 2.771 -6.943 1.00 0.00 C ATOM 1440 CD2 LEU A 87 4.070 5.033 -7.957 1.00 0.00 C ATOM 0 H LEU A 87 1.666 4.668 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 87 2.686 6.331 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.274 3.483 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.761 3.943 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 87 4.472 4.673 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.318 2.746 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.180 2.185 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.640 2.349 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.119 4.995 -8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.456 4.612 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.779 6.069 -7.784 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.456 5.202 -5.914 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.821 5.459 -6.363 1.00 0.00 C ATOM 1454 C ARG A 88 -2.800 5.019 -5.276 1.00 0.00 C ATOM 1455 O ARG A 88 -2.476 4.155 -4.463 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.124 4.740 -7.692 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.606 5.475 -8.941 1.00 0.00 C ATOM 1458 CD ARG A 88 -0.256 4.963 -9.460 1.00 0.00 C ATOM 1459 NE ARG A 88 -0.333 3.577 -9.945 1.00 0.00 N ATOM 1460 CZ ARG A 88 -0.773 3.204 -11.157 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.263 4.110 -12.011 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -0.715 1.917 -11.509 1.00 0.00 N ATOM 0 H ARG A 88 -0.365 4.360 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.933 6.528 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.683 3.744 -7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.202 4.608 -7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.346 5.383 -9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.515 6.537 -8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.089 5.609 -10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.485 5.026 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.028 2.840 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.304 5.093 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.595 3.817 -12.930 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.339 1.227 -10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.047 1.624 -12.428 1.00 0.00 H new ATOM 1476 N PHE A 89 -3.992 5.621 -5.270 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.086 5.330 -4.353 1.00 0.00 C ATOM 1478 C PHE A 89 -6.339 5.162 -5.208 1.00 0.00 C ATOM 1479 O PHE A 89 -6.418 5.756 -6.284 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.235 6.488 -3.356 1.00 0.00 C ATOM 1481 CG PHE A 89 -5.766 6.108 -1.983 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -7.153 5.999 -1.769 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -4.891 6.067 -0.878 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.656 5.897 -0.460 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -5.394 5.904 0.424 1.00 0.00 C ATOM 1486 CZ PHE A 89 -6.779 5.815 0.632 1.00 0.00 C ATOM 0 H PHE A 89 -4.227 6.357 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.907 4.425 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.262 6.964 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.901 7.234 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.831 5.994 -2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.826 6.162 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.723 5.882 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.716 5.847 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.169 5.684 1.631 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.298 4.347 -4.769 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.481 4.002 -5.545 1.00 0.00 C ATOM 1498 C ASN A 90 -9.602 3.581 -4.596 1.00 0.00 C ATOM 1499 O ASN A 90 -9.356 3.308 -3.422 1.00 0.00 O ATOM 1500 CB ASN A 90 -8.115 2.884 -6.532 1.00 0.00 C ATOM 1501 CG ASN A 90 -9.318 2.278 -7.243 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -9.680 1.134 -6.995 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -9.966 3.047 -8.114 1.00 0.00 N ATOM 0 H ASN A 90 -7.271 3.903 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.836 4.860 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.425 3.280 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.586 2.096 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.790 2.688 -8.597 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.639 3.995 -8.299 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.835 3.552 -5.100 1.00 0.00 N ATOM 1511 CA GLY A 91 -12.032 3.223 -4.345 1.00 0.00 C ATOM 1512 C GLY A 91 -12.911 4.468 -4.209 1.00 0.00 C ATOM 1513 O GLY A 91 -12.716 5.426 -4.960 1.00 0.00 O ATOM 0 H GLY A 91 -11.029 3.765 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.584 2.429 -4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.760 2.848 -3.358 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.873 4.480 -3.273 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.198 3.369 -2.395 1.00 0.00 C ATOM 1519 C PRO A 92 -14.805 2.221 -3.205 1.00 0.00 C ATOM 1520 O PRO A 92 -15.293 2.438 -4.314 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.213 3.934 -1.401 1.00 0.00 C ATOM 1522 CG PRO A 92 -15.932 5.014 -2.209 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.826 5.565 -3.108 1.00 0.00 C ATOM 0 HA PRO A 92 -13.321 2.966 -1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.904 3.167 -1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.725 4.349 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.756 4.601 -2.790 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.352 5.787 -1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.227 5.883 -4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.352 6.436 -2.656 1.00 0.00 H new ATOM 1531 N VAL A 93 -14.785 1.007 -2.654 1.00 0.00 N ATOM 1532 CA VAL A 93 -15.508 -0.141 -3.181 1.00 0.00 C ATOM 1533 C VAL A 93 -16.367 -0.708 -2.047 1.00 0.00 C ATOM 1534 O VAL A 93 -15.988 -0.581 -0.879 1.00 0.00 O ATOM 1535 CB VAL A 93 -14.542 -1.190 -3.772 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -13.635 -0.569 -4.844 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -13.672 -1.881 -2.718 1.00 0.00 C ATOM 0 H VAL A 93 -14.253 0.794 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.153 0.159 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 93 -15.182 -1.950 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.966 -1.332 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.248 -0.168 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.046 0.235 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.018 -2.605 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.068 -1.136 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.310 -2.394 -1.999 1.00 0.00 H new ATOM 1547 N PRO A 94 -17.528 -1.308 -2.351 1.00 0.00 N ATOM 1548 CA PRO A 94 -18.329 -1.981 -1.345 1.00 0.00 C ATOM 1549 C PRO A 94 -17.609 -3.258 -0.891 1.00 0.00 C ATOM 1550 O PRO A 94 -16.796 -3.803 -1.640 1.00 0.00 O ATOM 1551 CB PRO A 94 -19.656 -2.300 -2.042 1.00 0.00 C ATOM 1552 CG PRO A 94 -19.246 -2.475 -3.504 1.00 0.00 C ATOM 1553 CD PRO A 94 -18.123 -1.451 -3.671 1.00 0.00 C ATOM 0 HA PRO A 94 -18.492 -1.377 -0.452 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.115 -3.204 -1.641 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -20.380 -1.494 -1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -18.901 -3.489 -3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.076 -2.278 -4.182 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -17.386 -1.792 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.511 -0.498 -4.032 1.00 0.00 H new ATOM 1561 N PRO A 95 -17.899 -3.761 0.316 1.00 0.00 N ATOM 1562 CA PRO A 95 -17.409 -5.058 0.748 1.00 0.00 C ATOM 1563 C PRO A 95 -18.073 -6.159 -0.092 1.00 0.00 C ATOM 1564 O PRO A 95 -19.176 -5.959 -0.603 1.00 0.00 O ATOM 1565 CB PRO A 95 -17.797 -5.156 2.226 1.00 0.00 C ATOM 1566 CG PRO A 95 -19.071 -4.313 2.305 1.00 0.00 C ATOM 1567 CD PRO A 95 -18.809 -3.193 1.297 1.00 0.00 C ATOM 0 HA PRO A 95 -16.333 -5.176 0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.977 -6.188 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -17.014 -4.765 2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -19.955 -4.893 2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -19.234 -3.922 3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -19.736 -2.862 0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -18.369 -2.322 1.783 1.00 0.00 H new ATOM 1575 N PRO A 96 -17.432 -7.327 -0.242 1.00 0.00 N ATOM 1576 CA PRO A 96 -18.004 -8.446 -0.974 1.00 0.00 C ATOM 1577 C PRO A 96 -19.229 -9.003 -0.242 1.00 0.00 C ATOM 1578 O PRO A 96 -19.227 -8.967 1.007 1.00 0.00 O ATOM 1579 CB PRO A 96 -16.878 -9.480 -1.074 1.00 0.00 C ATOM 1580 CG PRO A 96 -16.033 -9.199 0.170 1.00 0.00 C ATOM 1581 CD PRO A 96 -16.139 -7.681 0.320 1.00 0.00 C ATOM 1582 OXT PRO A 96 -20.143 -9.482 -0.954 1.00 0.00 O ATOM 0 HA PRO A 96 -18.359 -8.155 -1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -17.266 -10.499 -1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.299 -9.358 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -16.419 -9.719 1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -15.000 -9.521 0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.071 -7.384 1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -15.330 -7.177 -0.208 1.00 0.00 H new TER 1590 PRO A 96