USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 871 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 114 TYR OH : rot -91:sc= 1.18 USER MOD Set 1.2: A 118 GLN : amide:sc= 1.68 K(o=2.9,f=-1.5) USER MOD Set 2.1: A 24 ASN : amide:sc=-0.00594 K(o=-1.4,f=-9.8!) USER MOD Set 2.2: A 107 MET CE :methyl -166:sc= -1.42 (180deg=-1.23) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -67:sc= 0.944 USER MOD Single : A 39 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.41) USER MOD Single : A 40 SER OG : rot -8:sc= 0.187 USER MOD Single : A 41 CYS SG : rot 180:sc= 0.15 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= 0.0298 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -150:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.08 USER MOD Single : A 74 SER OG : rot -140:sc= 0.0891 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.065 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= 0.116 (180deg=0.095) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 106 THR OG1 : rot 85:sc= 0.201 USER MOD Single : A 108 THR OG1 : rot -160:sc=0.000238 USER MOD Single : A 109 ASN : amide:sc= 0.697 K(o=0.7,f=-0.65) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.850 -9.540 -9.100 1.00 74.03 N ATOM 19 CA GLY A 2 -1.664 -9.460 -9.958 1.00 21.32 C ATOM 20 C GLY A 2 -1.579 -8.238 -10.874 1.00 14.05 C ATOM 21 O GLY A 2 -1.020 -8.332 -11.966 1.00 50.44 O ATOM 0 HA2 GLY A 2 -0.779 -9.475 -9.322 1.00 21.32 H new ATOM 0 HA3 GLY A 2 -1.627 -10.356 -10.577 1.00 21.32 H new ATOM 25 N ILE A 3 -2.090 -7.092 -10.431 1.00 65.21 N ATOM 26 CA ILE A 3 -2.019 -5.810 -11.125 1.00 4.31 C ATOM 27 C ILE A 3 -0.549 -5.432 -11.356 1.00 52.23 C ATOM 28 O ILE A 3 0.332 -5.754 -10.554 1.00 73.32 O ATOM 29 CB ILE A 3 -2.721 -4.716 -10.283 1.00 2.04 C ATOM 30 CG1 ILE A 3 -4.060 -5.166 -9.693 1.00 25.30 C ATOM 31 CG2 ILE A 3 -2.992 -3.435 -11.096 1.00 1.11 C ATOM 32 CD1 ILE A 3 -4.679 -4.097 -8.795 1.00 20.12 C ATOM 0 H ILE A 3 -2.585 -7.029 -9.542 1.00 65.21 H new ATOM 0 HA ILE A 3 -2.524 -5.892 -12.088 1.00 4.31 H new ATOM 0 HB ILE A 3 -2.017 -4.517 -9.475 1.00 2.04 H new ATOM 0 HG12 ILE A 3 -4.751 -5.404 -10.502 1.00 25.30 H new ATOM 0 HG13 ILE A 3 -3.914 -6.081 -9.119 1.00 25.30 H new ATOM 0 HG21 ILE A 3 -3.485 -2.699 -10.461 1.00 1.11 H new ATOM 0 HG22 ILE A 3 -2.048 -3.028 -11.458 1.00 1.11 H new ATOM 0 HG23 ILE A 3 -3.635 -3.671 -11.944 1.00 1.11 H new ATOM 0 HD11 ILE A 3 -5.627 -4.459 -8.399 1.00 20.12 H new ATOM 0 HD12 ILE A 3 -4.001 -3.878 -7.970 1.00 20.12 H new ATOM 0 HD13 ILE A 3 -4.851 -3.190 -9.374 1.00 20.12 H new ATOM 44 N THR A 4 -0.293 -4.668 -12.410 1.00 72.04 N ATOM 45 CA THR A 4 0.980 -3.993 -12.651 1.00 33.22 C ATOM 46 C THR A 4 1.080 -2.773 -11.728 1.00 5.14 C ATOM 47 O THR A 4 0.065 -2.132 -11.446 1.00 34.53 O ATOM 48 CB THR A 4 1.007 -3.534 -14.118 1.00 5.12 C ATOM 49 OG1 THR A 4 0.636 -4.614 -14.958 1.00 70.14 O ATOM 50 CG2 THR A 4 2.377 -2.987 -14.532 1.00 3.13 C ATOM 0 H THR A 4 -0.982 -4.495 -13.142 1.00 72.04 H new ATOM 0 HA THR A 4 1.816 -4.663 -12.452 1.00 33.22 H new ATOM 0 HB THR A 4 0.293 -2.717 -14.224 1.00 5.12 H new ATOM 0 HG1 THR A 4 0.651 -4.321 -15.893 1.00 70.14 H new ATOM 0 HG21 THR A 4 2.344 -2.676 -15.576 1.00 3.13 H new ATOM 0 HG22 THR A 4 2.631 -2.131 -13.907 1.00 3.13 H new ATOM 0 HG23 THR A 4 3.132 -3.764 -14.408 1.00 3.13 H new ATOM 58 N ILE A 5 2.281 -2.361 -11.320 1.00 44.04 N ATOM 59 CA ILE A 5 2.489 -1.121 -10.587 1.00 51.32 C ATOM 60 C ILE A 5 3.586 -0.315 -11.278 1.00 54.45 C ATOM 61 O ILE A 5 4.608 -0.857 -11.706 1.00 63.40 O ATOM 62 CB ILE A 5 2.876 -1.438 -9.136 1.00 0.34 C ATOM 63 CG1 ILE A 5 1.965 -2.461 -8.427 1.00 63.00 C ATOM 64 CG2 ILE A 5 3.013 -0.160 -8.303 1.00 62.02 C ATOM 65 CD1 ILE A 5 0.586 -1.963 -7.987 1.00 51.31 C ATOM 0 H ILE A 5 3.139 -2.885 -11.492 1.00 44.04 H new ATOM 0 HA ILE A 5 1.571 -0.533 -10.575 1.00 51.32 H new ATOM 0 HB ILE A 5 3.848 -1.925 -9.211 1.00 0.34 H new ATOM 0 HG12 ILE A 5 1.823 -3.311 -9.095 1.00 63.00 H new ATOM 0 HG13 ILE A 5 2.490 -2.832 -7.547 1.00 63.00 H new ATOM 0 HG21 ILE A 5 3.288 -0.420 -7.281 1.00 62.02 H new ATOM 0 HG22 ILE A 5 3.785 0.476 -8.736 1.00 62.02 H new ATOM 0 HG23 ILE A 5 2.063 0.375 -8.299 1.00 62.02 H new ATOM 0 HD11 ILE A 5 0.044 -2.775 -7.502 1.00 51.31 H new ATOM 0 HD12 ILE A 5 0.704 -1.136 -7.286 1.00 51.31 H new ATOM 0 HD13 ILE A 5 0.027 -1.623 -8.859 1.00 51.31 H new ATOM 77 N THR A 6 3.400 0.999 -11.311 1.00 34.34 N ATOM 78 CA THR A 6 4.367 1.959 -11.810 1.00 23.01 C ATOM 79 C THR A 6 4.869 2.816 -10.652 1.00 71.50 C ATOM 80 O THR A 6 4.053 3.347 -9.904 1.00 0.54 O ATOM 81 CB THR A 6 3.713 2.808 -12.910 1.00 54.21 C ATOM 82 OG1 THR A 6 2.361 3.135 -12.633 1.00 24.11 O ATOM 83 CG2 THR A 6 3.744 2.039 -14.225 1.00 12.50 C ATOM 0 H THR A 6 2.541 1.437 -10.979 1.00 34.34 H new ATOM 0 HA THR A 6 5.226 1.449 -12.245 1.00 23.01 H new ATOM 0 HB THR A 6 4.282 3.736 -12.964 1.00 54.21 H new ATOM 0 HG1 THR A 6 1.999 3.676 -13.365 1.00 24.11 H new ATOM 0 HG21 THR A 6 3.280 2.639 -15.008 1.00 12.50 H new ATOM 0 HG22 THR A 6 4.778 1.824 -14.496 1.00 12.50 H new ATOM 0 HG23 THR A 6 3.196 1.103 -14.112 1.00 12.50 H new ATOM 91 N ASP A 7 6.185 2.968 -10.510 1.00 23.55 N ATOM 92 CA ASP A 7 6.806 3.831 -9.498 1.00 31.12 C ATOM 93 C ASP A 7 6.270 5.266 -9.578 1.00 0.22 C ATOM 94 O ASP A 7 6.143 5.943 -8.554 1.00 11.22 O ATOM 95 CB ASP A 7 8.336 3.859 -9.677 1.00 40.25 C ATOM 96 CG ASP A 7 9.084 2.674 -9.057 1.00 45.25 C ATOM 97 OD1 ASP A 7 8.538 1.972 -8.179 1.00 43.34 O ATOM 98 OD2 ASP A 7 10.234 2.417 -9.492 1.00 14.31 O ATOM 0 H ASP A 7 6.863 2.489 -11.103 1.00 23.55 H new ATOM 0 HA ASP A 7 6.555 3.415 -8.522 1.00 31.12 H new ATOM 0 HB2 ASP A 7 8.561 3.893 -10.743 1.00 40.25 H new ATOM 0 HB3 ASP A 7 8.721 4.781 -9.240 1.00 40.25 H new ATOM 103 N GLU A 8 5.916 5.736 -10.777 1.00 62.12 N ATOM 104 CA GLU A 8 5.439 7.097 -11.017 1.00 11.30 C ATOM 105 C GLU A 8 4.061 7.369 -10.398 1.00 43.24 C ATOM 106 O GLU A 8 3.802 8.425 -9.828 1.00 4.40 O ATOM 107 CB GLU A 8 5.478 7.350 -12.520 1.00 71.42 C ATOM 108 CG GLU A 8 4.378 6.658 -13.314 1.00 73.33 C ATOM 109 CD GLU A 8 3.073 7.441 -13.440 1.00 52.32 C ATOM 110 OE1 GLU A 8 3.122 8.679 -13.604 1.00 2.22 O ATOM 111 OE2 GLU A 8 1.999 6.797 -13.495 1.00 3.00 O ATOM 0 H GLU A 8 5.954 5.168 -11.624 1.00 62.12 H new ATOM 0 HA GLU A 8 6.097 7.805 -10.513 1.00 11.30 H new ATOM 0 HB2 GLU A 8 5.412 8.424 -12.695 1.00 71.42 H new ATOM 0 HB3 GLU A 8 6.444 7.023 -12.904 1.00 71.42 H new ATOM 0 HG2 GLU A 8 4.754 6.446 -14.315 1.00 73.33 H new ATOM 0 HG3 GLU A 8 4.163 5.698 -12.845 1.00 73.33 H new ATOM 118 N LEU A 9 3.175 6.383 -10.461 1.00 61.44 N ATOM 119 CA LEU A 9 1.868 6.372 -9.848 1.00 42.44 C ATOM 120 C LEU A 9 2.056 6.434 -8.341 1.00 23.35 C ATOM 121 O LEU A 9 1.340 7.148 -7.651 1.00 33.33 O ATOM 122 CB LEU A 9 1.189 5.089 -10.333 1.00 13.53 C ATOM 123 CG LEU A 9 -0.043 4.726 -9.527 1.00 11.20 C ATOM 124 CD1 LEU A 9 -1.137 5.795 -9.540 1.00 52.50 C ATOM 125 CD2 LEU A 9 -0.562 3.385 -10.055 1.00 23.24 C ATOM 0 H LEU A 9 3.368 5.522 -10.973 1.00 61.44 H new ATOM 0 HA LEU A 9 1.239 7.221 -10.117 1.00 42.44 H new ATOM 0 HB2 LEU A 9 0.909 5.207 -11.380 1.00 13.53 H new ATOM 0 HB3 LEU A 9 1.903 4.267 -10.284 1.00 13.53 H new ATOM 0 HG LEU A 9 0.243 4.652 -8.478 1.00 11.20 H new ATOM 0 HD11 LEU A 9 -1.983 5.458 -8.941 1.00 52.50 H new ATOM 0 HD12 LEU A 9 -0.744 6.723 -9.124 1.00 52.50 H new ATOM 0 HD13 LEU A 9 -1.465 5.968 -10.565 1.00 52.50 H new ATOM 0 HD21 LEU A 9 -1.451 3.093 -9.496 1.00 23.24 H new ATOM 0 HD22 LEU A 9 -0.814 3.483 -11.111 1.00 23.24 H new ATOM 0 HD23 LEU A 9 0.209 2.624 -9.935 1.00 23.24 H new ATOM 137 N LEU A 10 3.038 5.706 -7.812 1.00 72.52 N ATOM 138 CA LEU A 10 3.251 5.661 -6.377 1.00 31.20 C ATOM 139 C LEU A 10 3.698 7.011 -5.811 1.00 25.31 C ATOM 140 O LEU A 10 3.452 7.298 -4.633 1.00 52.24 O ATOM 141 CB LEU A 10 4.222 4.533 -6.026 1.00 12.44 C ATOM 142 CG LEU A 10 3.722 3.141 -6.440 1.00 52.01 C ATOM 143 CD1 LEU A 10 4.730 2.124 -5.926 1.00 64.24 C ATOM 144 CD2 LEU A 10 2.329 2.826 -5.895 1.00 23.23 C ATOM 0 H LEU A 10 3.692 5.144 -8.357 1.00 72.52 H new ATOM 0 HA LEU A 10 2.295 5.446 -5.900 1.00 31.20 H new ATOM 0 HB2 LEU A 10 5.179 4.725 -6.510 1.00 12.44 H new ATOM 0 HB3 LEU A 10 4.402 4.541 -4.951 1.00 12.44 H new ATOM 0 HG LEU A 10 3.635 3.105 -7.526 1.00 52.01 H new ATOM 0 HD11 LEU A 10 4.407 1.120 -6.202 1.00 64.24 H new ATOM 0 HD12 LEU A 10 5.707 2.325 -6.366 1.00 64.24 H new ATOM 0 HD13 LEU A 10 4.799 2.197 -4.841 1.00 64.24 H new ATOM 0 HD21 LEU A 10 2.028 1.830 -6.220 1.00 23.23 H new ATOM 0 HD22 LEU A 10 2.348 2.863 -4.806 1.00 23.23 H new ATOM 0 HD23 LEU A 10 1.617 3.561 -6.271 1.00 23.23 H new ATOM 156 N TRP A 11 4.285 7.874 -6.645 1.00 54.24 N ATOM 157 CA TRP A 11 4.657 9.214 -6.229 1.00 20.12 C ATOM 158 C TRP A 11 3.413 10.048 -5.908 1.00 41.03 C ATOM 159 O TRP A 11 3.492 10.907 -5.031 1.00 65.12 O ATOM 160 CB TRP A 11 5.589 9.858 -7.269 1.00 40.15 C ATOM 161 CG TRP A 11 7.048 9.673 -6.973 1.00 51.10 C ATOM 162 CD1 TRP A 11 7.907 8.860 -7.631 1.00 13.14 C ATOM 163 CD2 TRP A 11 7.826 10.294 -5.907 1.00 45.51 C ATOM 164 NE1 TRP A 11 9.151 8.924 -7.037 1.00 64.11 N ATOM 165 CE2 TRP A 11 9.158 9.793 -5.966 1.00 53.41 C ATOM 166 CE3 TRP A 11 7.533 11.218 -4.881 1.00 74.31 C ATOM 167 CZ2 TRP A 11 10.146 10.208 -5.064 1.00 71.10 C ATOM 168 CZ3 TRP A 11 8.515 11.641 -3.966 1.00 21.11 C ATOM 169 CH2 TRP A 11 9.823 11.141 -4.067 1.00 21.11 C ATOM 0 H TRP A 11 4.511 7.659 -7.616 1.00 54.24 H new ATOM 0 HA TRP A 11 5.227 9.165 -5.301 1.00 20.12 H new ATOM 0 HB2 TRP A 11 5.371 9.435 -8.250 1.00 40.15 H new ATOM 0 HB3 TRP A 11 5.372 10.925 -7.326 1.00 40.15 H new ATOM 0 HD1 TRP A 11 7.657 8.254 -8.489 1.00 13.14 H new ATOM 0 HE1 TRP A 11 9.964 8.394 -7.351 1.00 64.11 H new ATOM 0 HE3 TRP A 11 6.530 11.610 -4.796 1.00 74.31 H new ATOM 0 HZ2 TRP A 11 11.149 9.813 -5.135 1.00 71.10 H new ATOM 0 HZ3 TRP A 11 8.263 12.348 -3.189 1.00 21.11 H new ATOM 0 HH2 TRP A 11 10.582 11.475 -3.376 1.00 21.11 H new ATOM 180 N ALA A 12 2.248 9.742 -6.492 1.00 31.32 N ATOM 181 CA ALA A 12 0.993 10.421 -6.192 1.00 11.41 C ATOM 182 C ALA A 12 0.605 10.290 -4.712 1.00 75.43 C ATOM 183 O ALA A 12 -0.051 11.180 -4.159 1.00 63.51 O ATOM 184 CB ALA A 12 -0.120 9.851 -7.078 1.00 65.03 C ATOM 0 H ALA A 12 2.155 9.007 -7.193 1.00 31.32 H new ATOM 0 HA ALA A 12 1.129 11.483 -6.399 1.00 11.41 H new ATOM 0 HB1 ALA A 12 -1.059 10.358 -6.854 1.00 65.03 H new ATOM 0 HB2 ALA A 12 0.135 10.005 -8.127 1.00 65.03 H new ATOM 0 HB3 ALA A 12 -0.229 8.784 -6.884 1.00 65.03 H new ATOM 190 N ILE A 13 0.995 9.197 -4.043 1.00 44.21 N ATOM 191 CA ILE A 13 0.775 9.064 -2.618 1.00 54.11 C ATOM 192 C ILE A 13 1.669 10.095 -1.918 1.00 53.25 C ATOM 193 O ILE A 13 1.168 10.958 -1.194 1.00 13.23 O ATOM 194 CB ILE A 13 1.016 7.618 -2.123 1.00 60.22 C ATOM 195 CG1 ILE A 13 0.070 6.557 -2.725 1.00 40.00 C ATOM 196 CG2 ILE A 13 0.721 7.594 -0.623 1.00 31.50 C ATOM 197 CD1 ILE A 13 0.479 6.023 -4.095 1.00 73.44 C ATOM 0 H ILE A 13 1.462 8.400 -4.475 1.00 44.21 H new ATOM 0 HA ILE A 13 -0.269 9.264 -2.375 1.00 54.11 H new ATOM 0 HB ILE A 13 2.038 7.372 -2.411 1.00 60.22 H new ATOM 0 HG12 ILE A 13 0.002 5.719 -2.032 1.00 40.00 H new ATOM 0 HG13 ILE A 13 -0.929 6.987 -2.804 1.00 40.00 H new ATOM 0 HG21 ILE A 13 0.880 6.587 -0.237 1.00 31.50 H new ATOM 0 HG22 ILE A 13 1.386 8.289 -0.110 1.00 31.50 H new ATOM 0 HG23 ILE A 13 -0.314 7.889 -0.451 1.00 31.50 H new ATOM 0 HD11 ILE A 13 -0.249 5.284 -4.430 1.00 73.44 H new ATOM 0 HD12 ILE A 13 0.517 6.845 -4.810 1.00 73.44 H new ATOM 0 HD13 ILE A 13 1.462 5.557 -4.025 1.00 73.44 H new ATOM 209 N LEU A 14 2.985 10.003 -2.129 1.00 65.20 N ATOM 210 CA LEU A 14 3.995 10.784 -1.417 1.00 45.34 C ATOM 211 C LEU A 14 3.743 12.286 -1.589 1.00 34.21 C ATOM 212 O LEU A 14 3.688 13.024 -0.597 1.00 21.33 O ATOM 213 CB LEU A 14 5.412 10.395 -1.892 1.00 71.34 C ATOM 214 CG LEU A 14 5.811 8.919 -1.662 1.00 50.12 C ATOM 215 CD1 LEU A 14 7.207 8.651 -2.235 1.00 53.32 C ATOM 216 CD2 LEU A 14 5.797 8.530 -0.178 1.00 63.42 C ATOM 0 H LEU A 14 3.386 9.366 -2.818 1.00 65.20 H new ATOM 0 HA LEU A 14 3.922 10.557 -0.353 1.00 45.34 H new ATOM 0 HB2 LEU A 14 5.491 10.613 -2.957 1.00 71.34 H new ATOM 0 HB3 LEU A 14 6.135 11.032 -1.382 1.00 71.34 H new ATOM 0 HG LEU A 14 5.067 8.311 -2.176 1.00 50.12 H new ATOM 0 HD11 LEU A 14 7.476 7.608 -2.066 1.00 53.32 H new ATOM 0 HD12 LEU A 14 7.207 8.857 -3.305 1.00 53.32 H new ATOM 0 HD13 LEU A 14 7.933 9.297 -1.741 1.00 53.32 H new ATOM 0 HD21 LEU A 14 6.085 7.484 -0.073 1.00 63.42 H new ATOM 0 HD22 LEU A 14 6.501 9.157 0.369 1.00 63.42 H new ATOM 0 HD23 LEU A 14 4.795 8.673 0.226 1.00 63.42 H new ATOM 228 N LYS A 15 3.534 12.737 -2.832 1.00 61.00 N ATOM 229 CA LYS A 15 3.282 14.140 -3.160 1.00 1.41 C ATOM 230 C LYS A 15 1.968 14.665 -2.574 1.00 52.01 C ATOM 231 O LYS A 15 1.766 15.874 -2.598 1.00 13.32 O ATOM 232 CB LYS A 15 3.279 14.366 -4.685 1.00 71.12 C ATOM 233 CG LYS A 15 4.571 14.037 -5.452 1.00 34.32 C ATOM 234 CD LYS A 15 5.823 14.750 -4.930 1.00 64.02 C ATOM 235 CE LYS A 15 6.961 14.529 -5.935 1.00 23.44 C ATOM 236 NZ LYS A 15 8.259 15.035 -5.442 1.00 72.24 N ATOM 0 H LYS A 15 3.536 12.126 -3.648 1.00 61.00 H new ATOM 0 HA LYS A 15 4.100 14.699 -2.705 1.00 1.41 H new ATOM 0 HB2 LYS A 15 2.473 13.770 -5.112 1.00 71.12 H new ATOM 0 HB3 LYS A 15 3.035 15.412 -4.870 1.00 71.12 H new ATOM 0 HG2 LYS A 15 4.738 12.961 -5.411 1.00 34.32 H new ATOM 0 HG3 LYS A 15 4.431 14.298 -6.501 1.00 34.32 H new ATOM 0 HD2 LYS A 15 5.629 15.815 -4.806 1.00 64.02 H new ATOM 0 HD3 LYS A 15 6.101 14.360 -3.951 1.00 64.02 H new ATOM 0 HE2 LYS A 15 7.048 13.464 -6.151 1.00 23.44 H new ATOM 0 HE3 LYS A 15 6.714 15.026 -6.873 1.00 23.44 H new ATOM 0 HZ1 LYS A 15 8.994 14.862 -6.157 1.00 72.24 H new ATOM 0 HZ2 LYS A 15 8.187 16.056 -5.260 1.00 72.24 H new ATOM 0 HZ3 LYS A 15 8.511 14.544 -4.561 1.00 72.24 H new ATOM 250 N ASP A 16 1.098 13.821 -2.007 1.00 42.42 N ATOM 251 CA ASP A 16 -0.245 14.183 -1.535 1.00 2.32 C ATOM 252 C ASP A 16 -1.097 14.693 -2.691 1.00 15.33 C ATOM 253 O ASP A 16 -1.622 15.811 -2.689 1.00 63.35 O ATOM 254 CB ASP A 16 -0.177 15.157 -0.356 1.00 23.32 C ATOM 255 CG ASP A 16 -1.383 15.063 0.576 1.00 31.41 C ATOM 256 OD1 ASP A 16 -2.491 15.502 0.210 1.00 54.15 O ATOM 257 OD2 ASP A 16 -1.239 14.478 1.678 1.00 33.10 O ATOM 0 H ASP A 16 1.316 12.836 -1.859 1.00 42.42 H new ATOM 0 HA ASP A 16 -0.738 13.289 -1.153 1.00 2.32 H new ATOM 0 HB2 ASP A 16 0.731 14.962 0.215 1.00 23.32 H new ATOM 0 HB3 ASP A 16 -0.101 16.175 -0.739 1.00 23.32 H new ATOM 262 N GLU A 17 -1.167 13.864 -3.725 1.00 63.41 N ATOM 263 CA GLU A 17 -2.147 13.927 -4.783 1.00 12.33 C ATOM 264 C GLU A 17 -3.297 12.966 -4.452 1.00 64.01 C ATOM 265 O GLU A 17 -4.465 13.309 -4.650 1.00 63.44 O ATOM 266 CB GLU A 17 -1.412 13.609 -6.095 1.00 72.33 C ATOM 267 CG GLU A 17 -2.319 13.022 -7.176 1.00 63.21 C ATOM 268 CD GLU A 17 -1.557 12.661 -8.453 1.00 32.44 C ATOM 269 OE1 GLU A 17 -0.561 13.344 -8.799 1.00 40.44 O ATOM 270 OE2 GLU A 17 -1.977 11.684 -9.108 1.00 12.30 O ATOM 0 H GLU A 17 -0.507 13.096 -3.847 1.00 63.41 H new ATOM 0 HA GLU A 17 -2.605 14.911 -4.890 1.00 12.33 H new ATOM 0 HB2 GLU A 17 -0.952 14.521 -6.474 1.00 72.33 H new ATOM 0 HB3 GLU A 17 -0.605 12.906 -5.889 1.00 72.33 H new ATOM 0 HG2 GLU A 17 -2.811 12.131 -6.787 1.00 63.21 H new ATOM 0 HG3 GLU A 17 -3.103 13.740 -7.416 1.00 63.21 H new ATOM 277 N LEU A 18 -2.997 11.761 -3.947 1.00 13.13 N ATOM 278 CA LEU A 18 -4.039 10.896 -3.402 1.00 72.13 C ATOM 279 C LEU A 18 -4.440 11.381 -2.034 1.00 73.14 C ATOM 280 O LEU A 18 -3.664 11.982 -1.282 1.00 22.13 O ATOM 281 CB LEU A 18 -3.615 9.428 -3.271 1.00 61.42 C ATOM 282 CG LEU A 18 -3.796 8.707 -4.621 1.00 53.10 C ATOM 283 CD1 LEU A 18 -2.496 8.058 -4.984 1.00 24.52 C ATOM 284 CD2 LEU A 18 -4.936 7.698 -4.702 1.00 43.20 C ATOM 0 H LEU A 18 -2.055 11.372 -3.907 1.00 13.13 H new ATOM 0 HA LEU A 18 -4.866 10.945 -4.111 1.00 72.13 H new ATOM 0 HB2 LEU A 18 -2.574 9.368 -2.954 1.00 61.42 H new ATOM 0 HB3 LEU A 18 -4.211 8.935 -2.503 1.00 61.42 H new ATOM 0 HG LEU A 18 -4.088 9.478 -5.334 1.00 53.10 H new ATOM 0 HD11 LEU A 18 -2.601 7.541 -5.938 1.00 24.52 H new ATOM 0 HD12 LEU A 18 -1.720 8.819 -5.068 1.00 24.52 H new ATOM 0 HD13 LEU A 18 -2.219 7.341 -4.211 1.00 24.52 H new ATOM 0 HD21 LEU A 18 -4.962 7.258 -5.699 1.00 43.20 H new ATOM 0 HD22 LEU A 18 -4.780 6.913 -3.962 1.00 43.20 H new ATOM 0 HD23 LEU A 18 -5.882 8.201 -4.503 1.00 43.20 H new ATOM 296 N SER A 19 -5.653 10.971 -1.712 1.00 60.35 N ATOM 297 CA SER A 19 -6.320 11.313 -0.469 1.00 61.30 C ATOM 298 C SER A 19 -5.911 10.320 0.619 1.00 11.31 C ATOM 299 O SER A 19 -5.131 9.409 0.370 1.00 13.40 O ATOM 300 CB SER A 19 -7.836 11.365 -0.690 1.00 34.14 C ATOM 301 OG SER A 19 -8.506 12.001 0.384 1.00 32.41 O ATOM 0 H SER A 19 -6.215 10.377 -2.322 1.00 60.35 H new ATOM 0 HA SER A 19 -6.015 12.304 -0.133 1.00 61.30 H new ATOM 0 HB2 SER A 19 -8.049 11.897 -1.617 1.00 34.14 H new ATOM 0 HB3 SER A 19 -8.220 10.352 -0.808 1.00 34.14 H new ATOM 0 HG SER A 19 -9.469 12.016 0.205 1.00 32.41 H new ATOM 307 N ASP A 20 -6.420 10.472 1.841 1.00 3.23 N ATOM 308 CA ASP A 20 -6.221 9.463 2.880 1.00 33.34 C ATOM 309 C ASP A 20 -6.916 8.161 2.486 1.00 54.31 C ATOM 310 O ASP A 20 -6.230 7.164 2.277 1.00 40.33 O ATOM 311 CB ASP A 20 -6.561 10.001 4.279 1.00 60.44 C ATOM 312 CG ASP A 20 -8.014 10.364 4.533 1.00 13.01 C ATOM 313 OD1 ASP A 20 -8.804 9.474 4.914 1.00 32.23 O ATOM 314 OD2 ASP A 20 -8.320 11.572 4.466 1.00 1.01 O ATOM 0 H ASP A 20 -6.970 11.279 2.135 1.00 3.23 H new ATOM 0 HA ASP A 20 -5.162 9.218 2.956 1.00 33.34 H new ATOM 0 HB2 ASP A 20 -6.263 9.253 5.013 1.00 60.44 H new ATOM 0 HB3 ASP A 20 -5.952 10.886 4.461 1.00 60.44 H new ATOM 319 N ALA A 21 -8.235 8.182 2.283 1.00 23.40 N ATOM 320 CA ALA A 21 -8.991 6.994 1.906 1.00 42.34 C ATOM 321 C ALA A 21 -8.540 6.444 0.548 1.00 41.23 C ATOM 322 O ALA A 21 -8.453 5.233 0.356 1.00 44.05 O ATOM 323 CB ALA A 21 -10.478 7.358 1.894 1.00 54.43 C ATOM 0 H ALA A 21 -8.805 9.023 2.376 1.00 23.40 H new ATOM 0 HA ALA A 21 -8.810 6.201 2.632 1.00 42.34 H new ATOM 0 HB1 ALA A 21 -11.065 6.483 1.614 1.00 54.43 H new ATOM 0 HB2 ALA A 21 -10.778 7.694 2.886 1.00 54.43 H new ATOM 0 HB3 ALA A 21 -10.651 8.157 1.173 1.00 54.43 H new ATOM 329 N GLU A 22 -8.255 7.337 -0.398 1.00 54.12 N ATOM 330 CA GLU A 22 -7.979 6.977 -1.785 1.00 64.24 C ATOM 331 C GLU A 22 -6.574 6.413 -1.955 1.00 15.43 C ATOM 332 O GLU A 22 -6.369 5.506 -2.761 1.00 12.33 O ATOM 333 CB GLU A 22 -8.162 8.209 -2.673 1.00 11.13 C ATOM 334 CG GLU A 22 -9.611 8.664 -2.607 1.00 62.33 C ATOM 335 CD GLU A 22 -9.907 9.718 -3.665 1.00 43.11 C ATOM 336 OE1 GLU A 22 -10.309 9.399 -4.803 1.00 41.32 O ATOM 337 OE2 GLU A 22 -9.776 10.929 -3.358 1.00 54.34 O ATOM 0 H GLU A 22 -8.209 8.340 -0.220 1.00 54.12 H new ATOM 0 HA GLU A 22 -8.681 6.197 -2.081 1.00 64.24 H new ATOM 0 HB2 GLU A 22 -7.501 9.011 -2.343 1.00 11.13 H new ATOM 0 HB3 GLU A 22 -7.889 7.974 -3.702 1.00 11.13 H new ATOM 0 HG2 GLU A 22 -10.270 7.808 -2.749 1.00 62.33 H new ATOM 0 HG3 GLU A 22 -9.823 9.069 -1.617 1.00 62.33 H new ATOM 344 N ALA A 23 -5.610 6.927 -1.187 1.00 11.45 N ATOM 345 CA ALA A 23 -4.247 6.396 -1.207 1.00 21.32 C ATOM 346 C ALA A 23 -4.261 4.926 -0.748 1.00 23.10 C ATOM 347 O ALA A 23 -3.425 4.140 -1.202 1.00 40.35 O ATOM 348 CB ALA A 23 -3.303 7.163 -0.273 1.00 4.14 C ATOM 0 H ALA A 23 -5.749 7.708 -0.546 1.00 11.45 H new ATOM 0 HA ALA A 23 -3.886 6.498 -2.230 1.00 21.32 H new ATOM 0 HB1 ALA A 23 -2.305 6.728 -0.327 1.00 4.14 H new ATOM 0 HB2 ALA A 23 -3.260 8.209 -0.578 1.00 4.14 H new ATOM 0 HB3 ALA A 23 -3.672 7.099 0.750 1.00 4.14 H new ATOM 354 N ASN A 24 -5.182 4.556 0.162 1.00 2.30 N ATOM 355 CA ASN A 24 -5.349 3.174 0.615 1.00 4.32 C ATOM 356 C ASN A 24 -5.751 2.294 -0.555 1.00 61.43 C ATOM 357 O ASN A 24 -5.246 1.178 -0.667 1.00 21.35 O ATOM 358 CB ASN A 24 -6.437 2.969 1.685 1.00 70.22 C ATOM 359 CG ASN A 24 -6.249 3.643 3.030 1.00 3.31 C ATOM 360 OD1 ASN A 24 -5.147 3.703 3.562 1.00 64.21 O ATOM 361 ND2 ASN A 24 -7.337 4.078 3.643 1.00 73.42 N ATOM 0 H ASN A 24 -5.829 5.212 0.600 1.00 2.30 H new ATOM 0 HA ASN A 24 -4.384 2.914 1.049 1.00 4.32 H new ATOM 0 HB2 ASN A 24 -7.384 3.313 1.269 1.00 70.22 H new ATOM 0 HB3 ASN A 24 -6.536 1.898 1.859 1.00 70.22 H new ATOM 0 HD21 ASN A 24 -7.270 4.475 4.580 1.00 73.42 H new ATOM 0 HD22 ASN A 24 -8.243 4.017 3.178 1.00 73.42 H new ATOM 368 N ALA A 25 -6.662 2.788 -1.403 1.00 24.45 N ATOM 369 CA ALA A 25 -7.308 2.006 -2.446 1.00 54.42 C ATOM 370 C ALA A 25 -6.283 1.288 -3.319 1.00 45.30 C ATOM 371 O ALA A 25 -6.467 0.116 -3.619 1.00 44.32 O ATOM 372 CB ALA A 25 -8.223 2.892 -3.297 1.00 52.32 C ATOM 0 H ALA A 25 -6.971 3.760 -1.377 1.00 24.45 H new ATOM 0 HA ALA A 25 -7.919 1.245 -1.961 1.00 54.42 H new ATOM 0 HB1 ALA A 25 -8.697 2.288 -4.071 1.00 52.32 H new ATOM 0 HB2 ALA A 25 -8.990 3.337 -2.664 1.00 52.32 H new ATOM 0 HB3 ALA A 25 -7.634 3.682 -3.763 1.00 52.32 H new ATOM 378 N LEU A 26 -5.176 1.943 -3.692 1.00 21.31 N ATOM 379 CA LEU A 26 -4.156 1.347 -4.552 1.00 43.54 C ATOM 380 C LEU A 26 -3.441 0.163 -3.887 1.00 5.11 C ATOM 381 O LEU A 26 -2.955 -0.723 -4.586 1.00 64.10 O ATOM 382 CB LEU A 26 -3.155 2.434 -4.973 1.00 22.21 C ATOM 383 CG LEU A 26 -3.744 3.545 -5.870 1.00 0.31 C ATOM 384 CD1 LEU A 26 -2.662 4.587 -6.163 1.00 41.30 C ATOM 385 CD2 LEU A 26 -4.291 3.012 -7.200 1.00 44.04 C ATOM 0 H LEU A 26 -4.966 2.899 -3.405 1.00 21.31 H new ATOM 0 HA LEU A 26 -4.651 0.941 -5.434 1.00 43.54 H new ATOM 0 HB2 LEU A 26 -2.740 2.893 -4.076 1.00 22.21 H new ATOM 0 HB3 LEU A 26 -2.327 1.961 -5.501 1.00 22.21 H new ATOM 0 HG LEU A 26 -4.579 3.985 -5.325 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -3.075 5.372 -6.796 1.00 41.30 H new ATOM 0 HD12 LEU A 26 -2.313 5.022 -5.227 1.00 41.30 H new ATOM 0 HD13 LEU A 26 -1.827 4.110 -6.675 1.00 41.30 H new ATOM 0 HD21 LEU A 26 -4.691 3.839 -7.786 1.00 44.04 H new ATOM 0 HD22 LEU A 26 -3.488 2.528 -7.756 1.00 44.04 H new ATOM 0 HD23 LEU A 26 -5.083 2.289 -7.004 1.00 44.04 H new ATOM 397 N VAL A 27 -3.388 0.094 -2.555 1.00 32.01 N ATOM 398 CA VAL A 27 -2.946 -1.108 -1.847 1.00 61.44 C ATOM 399 C VAL A 27 -4.069 -2.144 -1.907 1.00 43.52 C ATOM 400 O VAL A 27 -3.828 -3.311 -2.217 1.00 42.01 O ATOM 401 CB VAL A 27 -2.599 -0.806 -0.375 1.00 43.42 C ATOM 402 CG1 VAL A 27 -1.800 -1.967 0.238 1.00 32.44 C ATOM 403 CG2 VAL A 27 -1.766 0.462 -0.182 1.00 35.24 C ATOM 0 H VAL A 27 -3.649 0.865 -1.940 1.00 32.01 H new ATOM 0 HA VAL A 27 -2.043 -1.486 -2.327 1.00 61.44 H new ATOM 0 HB VAL A 27 -3.561 -0.666 0.117 1.00 43.42 H new ATOM 0 HG11 VAL A 27 -1.563 -1.737 1.277 1.00 32.44 H new ATOM 0 HG12 VAL A 27 -2.394 -2.880 0.194 1.00 32.44 H new ATOM 0 HG13 VAL A 27 -0.876 -2.108 -0.322 1.00 32.44 H new ATOM 0 HG21 VAL A 27 -1.563 0.606 0.879 1.00 35.24 H new ATOM 0 HG22 VAL A 27 -0.824 0.364 -0.722 1.00 35.24 H new ATOM 0 HG23 VAL A 27 -2.316 1.321 -0.566 1.00 35.24 H new ATOM 413 N TRP A 28 -5.294 -1.720 -1.589 1.00 1.20 N ATOM 414 CA TRP A 28 -6.463 -2.576 -1.503 1.00 41.22 C ATOM 415 C TRP A 28 -6.643 -3.362 -2.806 1.00 30.22 C ATOM 416 O TRP A 28 -6.682 -4.595 -2.747 1.00 20.24 O ATOM 417 CB TRP A 28 -7.680 -1.722 -1.128 1.00 52.32 C ATOM 418 CG TRP A 28 -7.686 -1.054 0.217 1.00 11.12 C ATOM 419 CD1 TRP A 28 -6.827 -1.259 1.246 1.00 32.32 C ATOM 420 CD2 TRP A 28 -8.685 -0.117 0.718 1.00 11.31 C ATOM 421 NE1 TRP A 28 -7.240 -0.528 2.345 1.00 63.40 N ATOM 422 CE2 TRP A 28 -8.392 0.174 2.081 1.00 2.13 C ATOM 423 CE3 TRP A 28 -9.855 0.458 0.179 1.00 43.02 C ATOM 424 CZ2 TRP A 28 -9.230 0.961 2.881 1.00 42.24 C ATOM 425 CZ3 TRP A 28 -10.705 1.254 0.968 1.00 4.45 C ATOM 426 CH2 TRP A 28 -10.399 1.496 2.320 1.00 50.10 C ATOM 0 H TRP A 28 -5.498 -0.743 -1.380 1.00 1.20 H new ATOM 0 HA TRP A 28 -6.338 -3.323 -0.719 1.00 41.22 H new ATOM 0 HB2 TRP A 28 -7.790 -0.947 -1.886 1.00 52.32 H new ATOM 0 HB3 TRP A 28 -8.564 -2.356 -1.190 1.00 52.32 H new ATOM 0 HD1 TRP A 28 -5.955 -1.895 1.213 1.00 32.32 H new ATOM 0 HE1 TRP A 28 -6.751 -0.512 3.240 1.00 63.40 H new ATOM 0 HE3 TRP A 28 -10.102 0.284 -0.858 1.00 43.02 H new ATOM 0 HZ2 TRP A 28 -8.980 1.153 3.914 1.00 42.24 H new ATOM 0 HZ3 TRP A 28 -11.597 1.681 0.534 1.00 4.45 H new ATOM 0 HH2 TRP A 28 -11.064 2.094 2.926 1.00 50.10 H new ATOM 437 N GLN A 29 -6.637 -2.692 -3.968 1.00 2.14 N ATOM 438 CA GLN A 29 -6.718 -3.328 -5.283 1.00 41.03 C ATOM 439 C GLN A 29 -5.605 -4.363 -5.483 1.00 61.02 C ATOM 440 O GLN A 29 -5.863 -5.471 -5.955 1.00 24.34 O ATOM 441 CB GLN A 29 -6.750 -2.298 -6.433 1.00 34.34 C ATOM 442 CG GLN A 29 -5.621 -1.279 -6.445 1.00 64.54 C ATOM 443 CD GLN A 29 -5.297 -0.672 -7.808 1.00 4.31 C ATOM 444 OE1 GLN A 29 -4.177 -0.782 -8.300 1.00 74.25 O ATOM 445 NE2 GLN A 29 -6.228 0.026 -8.424 1.00 42.34 N ATOM 0 H GLN A 29 -6.574 -1.675 -4.016 1.00 2.14 H new ATOM 0 HA GLN A 29 -7.668 -3.861 -5.313 1.00 41.03 H new ATOM 0 HB2 GLN A 29 -6.735 -2.839 -7.379 1.00 34.34 H new ATOM 0 HB3 GLN A 29 -7.697 -1.761 -6.387 1.00 34.34 H new ATOM 0 HG2 GLN A 29 -5.877 -0.472 -5.759 1.00 64.54 H new ATOM 0 HG3 GLN A 29 -4.721 -1.755 -6.056 1.00 64.54 H new ATOM 0 HE21 GLN A 29 -7.156 0.114 -8.011 1.00 42.34 H new ATOM 0 HE22 GLN A 29 -6.021 0.479 -9.314 1.00 42.34 H new ATOM 454 N ALA A 30 -4.364 -4.011 -5.135 1.00 62.42 N ATOM 455 CA ALA A 30 -3.195 -4.832 -5.394 1.00 64.31 C ATOM 456 C ALA A 30 -3.261 -6.163 -4.651 1.00 1.42 C ATOM 457 O ALA A 30 -2.742 -7.167 -5.147 1.00 71.04 O ATOM 458 CB ALA A 30 -1.941 -4.067 -4.989 1.00 2.45 C ATOM 0 H ALA A 30 -4.148 -3.135 -4.660 1.00 62.42 H new ATOM 0 HA ALA A 30 -3.166 -5.056 -6.460 1.00 64.31 H new ATOM 0 HB1 ALA A 30 -1.062 -4.681 -5.182 1.00 2.45 H new ATOM 0 HB2 ALA A 30 -1.874 -3.146 -5.567 1.00 2.45 H new ATOM 0 HB3 ALA A 30 -1.989 -3.826 -3.927 1.00 2.45 H new ATOM 464 N LEU A 31 -3.902 -6.211 -3.486 1.00 1.43 N ATOM 465 CA LEU A 31 -4.306 -7.487 -2.927 1.00 14.34 C ATOM 466 C LEU A 31 -5.504 -7.974 -3.735 1.00 40.31 C ATOM 467 O LEU A 31 -5.394 -8.976 -4.437 1.00 34.13 O ATOM 468 CB LEU A 31 -4.588 -7.388 -1.421 1.00 1.31 C ATOM 469 CG LEU A 31 -3.344 -7.304 -0.510 1.00 3.21 C ATOM 470 CD1 LEU A 31 -2.266 -8.344 -0.833 1.00 72.43 C ATOM 471 CD2 LEU A 31 -2.758 -5.896 -0.496 1.00 41.43 C ATOM 0 H LEU A 31 -4.147 -5.396 -2.924 1.00 1.43 H new ATOM 0 HA LEU A 31 -3.500 -8.216 -3.004 1.00 14.34 H new ATOM 0 HB2 LEU A 31 -5.206 -6.508 -1.243 1.00 1.31 H new ATOM 0 HB3 LEU A 31 -5.176 -8.256 -1.122 1.00 1.31 H new ATOM 0 HG LEU A 31 -3.701 -7.544 0.491 1.00 3.21 H new ATOM 0 HD11 LEU A 31 -1.425 -8.220 -0.151 1.00 72.43 H new ATOM 0 HD12 LEU A 31 -2.681 -9.345 -0.720 1.00 72.43 H new ATOM 0 HD13 LEU A 31 -1.924 -8.207 -1.859 1.00 72.43 H new ATOM 0 HD21 LEU A 31 -1.884 -5.872 0.155 1.00 41.43 H new ATOM 0 HD22 LEU A 31 -2.465 -5.614 -1.507 1.00 41.43 H new ATOM 0 HD23 LEU A 31 -3.505 -5.194 -0.125 1.00 41.43 H new ATOM 483 N GLY A 32 -6.615 -7.243 -3.688 1.00 30.41 N ATOM 484 CA GLY A 32 -7.877 -7.584 -4.335 1.00 23.05 C ATOM 485 C GLY A 32 -9.105 -7.156 -3.522 1.00 61.32 C ATOM 486 O GLY A 32 -10.222 -7.535 -3.885 1.00 21.45 O ATOM 0 H GLY A 32 -6.661 -6.361 -3.177 1.00 30.41 H new ATOM 0 HA2 GLY A 32 -7.915 -7.110 -5.316 1.00 23.05 H new ATOM 0 HA3 GLY A 32 -7.915 -8.661 -4.499 1.00 23.05 H new ATOM 490 N TYR A 33 -8.928 -6.386 -2.443 1.00 3.40 N ATOM 491 CA TYR A 33 -10.022 -5.729 -1.743 1.00 24.42 C ATOM 492 C TYR A 33 -10.537 -4.613 -2.647 1.00 22.55 C ATOM 493 O TYR A 33 -9.845 -3.623 -2.881 1.00 53.15 O ATOM 494 CB TYR A 33 -9.587 -5.177 -0.379 1.00 51.55 C ATOM 495 CG TYR A 33 -8.909 -6.165 0.546 1.00 54.32 C ATOM 496 CD1 TYR A 33 -9.675 -6.970 1.407 1.00 41.13 C ATOM 497 CD2 TYR A 33 -7.506 -6.251 0.571 1.00 43.21 C ATOM 498 CE1 TYR A 33 -9.047 -7.873 2.282 1.00 33.23 C ATOM 499 CE2 TYR A 33 -6.869 -7.162 1.429 1.00 54.12 C ATOM 500 CZ TYR A 33 -7.636 -7.978 2.291 1.00 2.40 C ATOM 501 OH TYR A 33 -6.989 -8.857 3.103 1.00 71.51 O ATOM 0 H TYR A 33 -8.012 -6.204 -2.033 1.00 3.40 H new ATOM 0 HA TYR A 33 -10.810 -6.452 -1.534 1.00 24.42 H new ATOM 0 HB2 TYR A 33 -8.909 -4.340 -0.546 1.00 51.55 H new ATOM 0 HB3 TYR A 33 -10.466 -4.778 0.127 1.00 51.55 H new ATOM 0 HD1 TYR A 33 -10.752 -6.894 1.396 1.00 41.13 H new ATOM 0 HD2 TYR A 33 -6.916 -5.614 -0.072 1.00 43.21 H new ATOM 0 HE1 TYR A 33 -9.640 -8.485 2.946 1.00 33.23 H new ATOM 0 HE2 TYR A 33 -5.792 -7.239 1.430 1.00 54.12 H new ATOM 0 HH TYR A 33 -7.116 -8.593 4.038 1.00 71.51 H new ATOM 511 N VAL A 34 -11.714 -4.801 -3.231 1.00 13.34 N ATOM 512 CA VAL A 34 -12.314 -3.896 -4.201 1.00 42.12 C ATOM 513 C VAL A 34 -13.804 -3.950 -3.917 1.00 32.33 C ATOM 514 O VAL A 34 -14.314 -5.028 -3.609 1.00 33.50 O ATOM 515 CB VAL A 34 -11.972 -4.350 -5.638 1.00 11.13 C ATOM 516 CG1 VAL A 34 -12.553 -3.427 -6.713 1.00 33.33 C ATOM 517 CG2 VAL A 34 -10.463 -4.427 -5.851 1.00 31.52 C ATOM 0 H VAL A 34 -12.296 -5.615 -3.035 1.00 13.34 H new ATOM 0 HA VAL A 34 -11.940 -2.875 -4.119 1.00 42.12 H new ATOM 0 HB VAL A 34 -12.425 -5.336 -5.741 1.00 11.13 H new ATOM 0 HG11 VAL A 34 -12.278 -3.799 -7.700 1.00 33.33 H new ATOM 0 HG12 VAL A 34 -13.639 -3.403 -6.624 1.00 33.33 H new ATOM 0 HG13 VAL A 34 -12.156 -2.420 -6.582 1.00 33.33 H new ATOM 0 HG21 VAL A 34 -10.256 -4.749 -6.871 1.00 31.52 H new ATOM 0 HG22 VAL A 34 -10.021 -3.445 -5.684 1.00 31.52 H new ATOM 0 HG23 VAL A 34 -10.033 -5.142 -5.150 1.00 31.52 H new ATOM 527 N TRP A 35 -14.489 -2.815 -3.977 1.00 73.30 N ATOM 528 CA TRP A 35 -15.923 -2.763 -3.753 1.00 73.42 C ATOM 529 C TRP A 35 -16.653 -3.475 -4.904 1.00 4.34 C ATOM 530 O TRP A 35 -16.228 -3.423 -6.065 1.00 74.54 O ATOM 531 CB TRP A 35 -16.336 -1.297 -3.575 1.00 34.55 C ATOM 532 CG TRP A 35 -17.799 -1.071 -3.401 1.00 34.34 C ATOM 533 CD1 TRP A 35 -18.646 -0.666 -4.369 1.00 1.11 C ATOM 534 CD2 TRP A 35 -18.616 -1.294 -2.214 1.00 44.53 C ATOM 535 NE1 TRP A 35 -19.928 -0.622 -3.871 1.00 51.10 N ATOM 536 CE2 TRP A 35 -19.971 -1.003 -2.545 1.00 0.42 C ATOM 537 CE3 TRP A 35 -18.349 -1.725 -0.897 1.00 75.32 C ATOM 538 CZ2 TRP A 35 -21.009 -1.129 -1.611 1.00 22.52 C ATOM 539 CZ3 TRP A 35 -19.384 -1.873 0.046 1.00 54.44 C ATOM 540 CH2 TRP A 35 -20.713 -1.567 -0.309 1.00 4.32 C ATOM 0 H TRP A 35 -14.066 -1.910 -4.182 1.00 73.30 H new ATOM 0 HA TRP A 35 -16.205 -3.292 -2.843 1.00 73.42 H new ATOM 0 HB2 TRP A 35 -15.815 -0.891 -2.708 1.00 34.55 H new ATOM 0 HB3 TRP A 35 -15.997 -0.732 -4.443 1.00 34.55 H new ATOM 0 HD1 TRP A 35 -18.362 -0.415 -5.380 1.00 1.11 H new ATOM 0 HE1 TRP A 35 -20.745 -0.343 -4.414 1.00 51.10 H new ATOM 0 HE3 TRP A 35 -17.332 -1.945 -0.607 1.00 75.32 H new ATOM 0 HZ2 TRP A 35 -22.025 -0.892 -1.889 1.00 22.52 H new ATOM 0 HZ3 TRP A 35 -19.159 -2.222 1.043 1.00 54.44 H new ATOM 0 HH2 TRP A 35 -21.504 -1.669 0.419 1.00 4.32 H new ATOM 551 N ASP A 36 -17.743 -4.164 -4.580 1.00 42.43 N ATOM 552 CA ASP A 36 -18.645 -4.866 -5.459 1.00 53.52 C ATOM 553 C ASP A 36 -20.020 -4.213 -5.450 1.00 13.40 C ATOM 554 O ASP A 36 -20.920 -4.666 -4.773 1.00 33.44 O ATOM 555 CB ASP A 36 -18.692 -6.354 -5.081 1.00 3.44 C ATOM 556 CG ASP A 36 -18.897 -6.812 -3.638 1.00 72.52 C ATOM 557 OD1 ASP A 36 -20.043 -6.929 -3.195 1.00 54.21 O ATOM 558 OD2 ASP A 36 -17.919 -7.245 -2.998 1.00 30.05 O ATOM 0 H ASP A 36 -18.035 -4.247 -3.606 1.00 42.43 H new ATOM 0 HA ASP A 36 -18.278 -4.803 -6.484 1.00 53.52 H new ATOM 0 HB2 ASP A 36 -19.490 -6.804 -5.671 1.00 3.44 H new ATOM 0 HB3 ASP A 36 -17.756 -6.796 -5.422 1.00 3.44 H new ATOM 563 N GLU A 37 -20.228 -3.164 -6.242 1.00 10.33 N ATOM 564 CA GLU A 37 -21.455 -2.359 -6.246 1.00 74.02 C ATOM 565 C GLU A 37 -22.726 -3.177 -6.478 1.00 43.22 C ATOM 566 O GLU A 37 -23.782 -2.864 -5.930 1.00 71.31 O ATOM 567 CB GLU A 37 -21.311 -1.273 -7.321 1.00 1.04 C ATOM 568 CG GLU A 37 -22.545 -0.373 -7.457 1.00 1.35 C ATOM 569 CD GLU A 37 -22.389 0.700 -8.535 1.00 12.13 C ATOM 570 OE1 GLU A 37 -21.971 0.388 -9.675 1.00 32.15 O ATOM 571 OE2 GLU A 37 -22.792 1.856 -8.259 1.00 10.30 O ATOM 0 H GLU A 37 -19.534 -2.839 -6.916 1.00 10.33 H new ATOM 0 HA GLU A 37 -21.570 -1.920 -5.255 1.00 74.02 H new ATOM 0 HB2 GLU A 37 -20.445 -0.654 -7.086 1.00 1.04 H new ATOM 0 HB3 GLU A 37 -21.112 -1.749 -8.281 1.00 1.04 H new ATOM 0 HG2 GLU A 37 -23.413 -0.990 -7.690 1.00 1.35 H new ATOM 0 HG3 GLU A 37 -22.743 0.109 -6.499 1.00 1.35 H new ATOM 578 N ALA A 38 -22.627 -4.226 -7.289 1.00 23.44 N ATOM 579 CA ALA A 38 -23.755 -5.072 -7.630 1.00 74.42 C ATOM 580 C ALA A 38 -24.198 -5.903 -6.431 1.00 74.44 C ATOM 581 O ALA A 38 -25.392 -6.064 -6.182 1.00 24.23 O ATOM 582 CB ALA A 38 -23.331 -5.970 -8.785 1.00 34.43 C ATOM 0 H ALA A 38 -21.752 -4.511 -7.729 1.00 23.44 H new ATOM 0 HA ALA A 38 -24.607 -4.458 -7.923 1.00 74.42 H new ATOM 0 HB1 ALA A 38 -24.161 -6.619 -9.064 1.00 34.43 H new ATOM 0 HB2 ALA A 38 -23.048 -5.355 -9.639 1.00 34.43 H new ATOM 0 HB3 ALA A 38 -22.481 -6.579 -8.479 1.00 34.43 H new ATOM 588 N GLN A 39 -23.232 -6.429 -5.692 1.00 54.03 N ATOM 589 CA GLN A 39 -23.441 -7.204 -4.481 1.00 64.20 C ATOM 590 C GLN A 39 -23.556 -6.285 -3.251 1.00 44.33 C ATOM 591 O GLN A 39 -24.048 -6.703 -2.204 1.00 34.31 O ATOM 592 CB GLN A 39 -22.299 -8.172 -4.377 1.00 61.34 C ATOM 593 CG GLN A 39 -22.462 -9.525 -5.020 1.00 14.22 C ATOM 594 CD GLN A 39 -23.728 -9.769 -5.790 1.00 5.42 C ATOM 595 OE1 GLN A 39 -24.690 -10.331 -5.272 1.00 21.12 O ATOM 596 NE2 GLN A 39 -23.782 -9.272 -6.996 1.00 11.33 N ATOM 0 H GLN A 39 -22.246 -6.323 -5.929 1.00 54.03 H new ATOM 0 HA GLN A 39 -24.381 -7.754 -4.520 1.00 64.20 H new ATOM 0 HB2 GLN A 39 -21.419 -7.699 -4.812 1.00 61.34 H new ATOM 0 HB3 GLN A 39 -22.088 -8.328 -3.319 1.00 61.34 H new ATOM 0 HG2 GLN A 39 -21.620 -9.682 -5.694 1.00 14.22 H new ATOM 0 HG3 GLN A 39 -22.390 -10.282 -4.239 1.00 14.22 H new ATOM 0 HE21 GLN A 39 -22.964 -8.812 -7.395 1.00 11.33 H new ATOM 0 HE22 GLN A 39 -24.642 -9.344 -7.539 1.00 11.33 H new ATOM 605 N SER A 40 -23.170 -5.018 -3.399 1.00 72.41 N ATOM 606 CA SER A 40 -22.891 -4.009 -2.400 1.00 1.13 C ATOM 607 C SER A 40 -22.027 -4.502 -1.230 1.00 21.33 C ATOM 608 O SER A 40 -22.428 -4.320 -0.073 1.00 44.21 O ATOM 609 CB SER A 40 -24.186 -3.338 -1.949 1.00 73.13 C ATOM 610 OG SER A 40 -24.946 -2.829 -3.039 1.00 23.33 O ATOM 0 H SER A 40 -23.032 -4.639 -4.336 1.00 72.41 H new ATOM 0 HA SER A 40 -22.267 -3.254 -2.878 1.00 1.13 H new ATOM 0 HB2 SER A 40 -24.789 -4.057 -1.394 1.00 73.13 H new ATOM 0 HB3 SER A 40 -23.950 -2.524 -1.264 1.00 73.13 H new ATOM 0 HG SER A 40 -24.423 -2.902 -3.865 1.00 23.33 H new ATOM 616 N CYS A 41 -20.848 -5.083 -1.491 1.00 13.21 N ATOM 617 CA CYS A 41 -19.918 -5.454 -0.424 1.00 34.51 C ATOM 618 C CYS A 41 -18.465 -5.210 -0.847 1.00 44.00 C ATOM 619 O CYS A 41 -18.204 -4.517 -1.834 1.00 71.50 O ATOM 620 CB CYS A 41 -20.172 -6.913 -0.011 1.00 3.33 C ATOM 621 SG CYS A 41 -19.892 -7.105 1.775 1.00 51.52 S ATOM 0 H CYS A 41 -20.519 -5.304 -2.431 1.00 13.21 H new ATOM 0 HA CYS A 41 -20.092 -4.821 0.446 1.00 34.51 H new ATOM 0 HB2 CYS A 41 -21.194 -7.199 -0.261 1.00 3.33 H new ATOM 0 HB3 CYS A 41 -19.510 -7.578 -0.566 1.00 3.33 H new ATOM 0 HG CYS A 41 -20.111 -8.340 2.118 1.00 51.52 H new ATOM 627 N TRP A 42 -17.503 -5.716 -0.071 1.00 15.54 N ATOM 628 CA TRP A 42 -16.103 -5.776 -0.464 1.00 33.44 C ATOM 629 C TRP A 42 -15.760 -7.165 -0.973 1.00 60.12 C ATOM 630 O TRP A 42 -16.175 -8.168 -0.385 1.00 33.45 O ATOM 631 CB TRP A 42 -15.232 -5.478 0.750 1.00 55.02 C ATOM 632 CG TRP A 42 -15.431 -4.114 1.296 1.00 50.21 C ATOM 633 CD1 TRP A 42 -16.127 -3.786 2.404 1.00 12.04 C ATOM 634 CD2 TRP A 42 -14.987 -2.868 0.701 1.00 22.34 C ATOM 635 NE1 TRP A 42 -16.126 -2.416 2.544 1.00 50.15 N ATOM 636 CE2 TRP A 42 -15.424 -1.797 1.527 1.00 2.55 C ATOM 637 CE3 TRP A 42 -14.280 -2.551 -0.476 1.00 13.14 C ATOM 638 CZ2 TRP A 42 -15.138 -0.462 1.211 1.00 60.04 C ATOM 639 CZ3 TRP A 42 -13.975 -1.217 -0.796 1.00 70.53 C ATOM 640 CH2 TRP A 42 -14.410 -0.177 0.040 1.00 13.03 C ATOM 0 H TRP A 42 -17.682 -6.099 0.857 1.00 15.54 H new ATOM 0 HA TRP A 42 -15.926 -5.045 -1.253 1.00 33.44 H new ATOM 0 HB2 TRP A 42 -15.446 -6.209 1.530 1.00 55.02 H new ATOM 0 HB3 TRP A 42 -14.184 -5.603 0.476 1.00 55.02 H new ATOM 0 HD1 TRP A 42 -16.607 -4.485 3.073 1.00 12.04 H new ATOM 0 HE1 TRP A 42 -16.587 -1.919 3.306 1.00 50.15 H new ATOM 0 HE3 TRP A 42 -13.969 -3.343 -1.141 1.00 13.14 H new ATOM 0 HZ2 TRP A 42 -15.471 0.337 1.857 1.00 60.04 H new ATOM 0 HZ3 TRP A 42 -13.406 -0.992 -1.686 1.00 70.53 H new ATOM 0 HH2 TRP A 42 -14.185 0.848 -0.216 1.00 13.03 H new ATOM 651 N LYS A 43 -14.898 -7.242 -1.989 1.00 12.44 N ATOM 652 CA LYS A 43 -14.439 -8.515 -2.508 1.00 62.11 C ATOM 653 C LYS A 43 -13.198 -8.932 -1.760 1.00 53.11 C ATOM 654 O LYS A 43 -12.474 -8.104 -1.205 1.00 2.12 O ATOM 655 CB LYS A 43 -14.146 -8.389 -4.001 1.00 25.21 C ATOM 656 CG LYS A 43 -15.462 -8.135 -4.722 1.00 2.13 C ATOM 657 CD LYS A 43 -15.236 -7.841 -6.191 1.00 12.31 C ATOM 658 CE LYS A 43 -15.136 -6.312 -6.339 1.00 43.52 C ATOM 659 NZ LYS A 43 -15.180 -5.823 -7.729 1.00 14.32 N ATOM 0 H LYS A 43 -14.507 -6.429 -2.465 1.00 12.44 H new ATOM 0 HA LYS A 43 -15.211 -9.272 -2.371 1.00 62.11 H new ATOM 0 HB2 LYS A 43 -13.448 -7.572 -4.184 1.00 25.21 H new ATOM 0 HB3 LYS A 43 -13.677 -9.299 -4.375 1.00 25.21 H new ATOM 0 HG2 LYS A 43 -16.110 -9.005 -4.618 1.00 2.13 H new ATOM 0 HG3 LYS A 43 -15.979 -7.296 -4.256 1.00 2.13 H new ATOM 0 HD2 LYS A 43 -14.324 -8.322 -6.544 1.00 12.31 H new ATOM 0 HD3 LYS A 43 -16.056 -8.233 -6.792 1.00 12.31 H new ATOM 0 HE2 LYS A 43 -15.952 -5.853 -5.781 1.00 43.52 H new ATOM 0 HE3 LYS A 43 -14.206 -5.976 -5.879 1.00 43.52 H new ATOM 0 HZ1 LYS A 43 -15.543 -4.849 -7.743 1.00 14.32 H new ATOM 0 HZ2 LYS A 43 -14.222 -5.841 -8.134 1.00 14.32 H new ATOM 0 HZ3 LYS A 43 -15.806 -6.434 -8.292 1.00 14.32 H new ATOM 673 N THR A 44 -12.911 -10.218 -1.867 1.00 64.12 N ATOM 674 CA THR A 44 -11.686 -10.828 -1.361 1.00 30.23 C ATOM 675 C THR A 44 -11.269 -12.033 -2.209 1.00 53.42 C ATOM 676 O THR A 44 -10.202 -12.591 -1.985 1.00 2.04 O ATOM 677 CB THR A 44 -11.830 -11.235 0.118 1.00 64.13 C ATOM 678 OG1 THR A 44 -12.991 -12.014 0.315 1.00 45.53 O ATOM 679 CG2 THR A 44 -11.817 -10.048 1.079 1.00 14.34 C ATOM 0 H THR A 44 -13.536 -10.886 -2.318 1.00 64.12 H new ATOM 0 HA THR A 44 -10.901 -10.076 -1.432 1.00 30.23 H new ATOM 0 HB THR A 44 -10.950 -11.834 0.352 1.00 64.13 H new ATOM 0 HG1 THR A 44 -13.062 -12.263 1.260 1.00 45.53 H new ATOM 0 HG21 THR A 44 -11.922 -10.407 2.103 1.00 14.34 H new ATOM 0 HG22 THR A 44 -10.875 -9.509 0.979 1.00 14.34 H new ATOM 0 HG23 THR A 44 -12.644 -9.379 0.842 1.00 14.34 H new ATOM 687 N ASP A 45 -12.047 -12.418 -3.227 1.00 21.30 N ATOM 688 CA ASP A 45 -11.827 -13.631 -4.010 1.00 55.23 C ATOM 689 C ASP A 45 -10.461 -13.550 -4.671 1.00 3.32 C ATOM 690 O ASP A 45 -9.757 -14.550 -4.800 1.00 71.24 O ATOM 691 CB ASP A 45 -12.881 -13.708 -5.127 1.00 41.31 C ATOM 692 CG ASP A 45 -14.203 -14.368 -4.776 1.00 21.21 C ATOM 693 OD1 ASP A 45 -14.325 -14.969 -3.696 1.00 53.42 O ATOM 694 OD2 ASP A 45 -15.106 -14.341 -5.649 1.00 2.43 O ATOM 0 H ASP A 45 -12.860 -11.883 -3.532 1.00 21.30 H new ATOM 0 HA ASP A 45 -11.893 -14.501 -3.357 1.00 55.23 H new ATOM 0 HB2 ASP A 45 -13.088 -12.694 -5.470 1.00 41.31 H new ATOM 0 HB3 ASP A 45 -12.445 -14.246 -5.969 1.00 41.31 H new ATOM 699 N LEU A 46 -10.103 -12.340 -5.114 1.00 64.43 N ATOM 700 CA LEU A 46 -8.914 -12.079 -5.898 1.00 74.14 C ATOM 701 C LEU A 46 -7.680 -11.837 -5.011 1.00 64.54 C ATOM 702 O LEU A 46 -6.637 -11.425 -5.533 1.00 14.30 O ATOM 703 CB LEU A 46 -9.123 -10.894 -6.862 1.00 34.03 C ATOM 704 CG LEU A 46 -10.243 -11.014 -7.918 1.00 41.23 C ATOM 705 CD1 LEU A 46 -11.649 -10.740 -7.374 1.00 11.35 C ATOM 706 CD2 LEU A 46 -10.011 -10.008 -9.045 1.00 62.13 C ATOM 0 H LEU A 46 -10.653 -11.501 -4.927 1.00 64.43 H new ATOM 0 HA LEU A 46 -8.728 -12.975 -6.490 1.00 74.14 H new ATOM 0 HB2 LEU A 46 -9.322 -10.006 -6.263 1.00 34.03 H new ATOM 0 HB3 LEU A 46 -8.184 -10.720 -7.388 1.00 34.03 H new ATOM 0 HG LEU A 46 -10.197 -12.048 -8.259 1.00 41.23 H new ATOM 0 HD11 LEU A 46 -12.377 -10.845 -8.178 1.00 11.35 H new ATOM 0 HD12 LEU A 46 -11.878 -11.453 -6.582 1.00 11.35 H new ATOM 0 HD13 LEU A 46 -11.693 -9.727 -6.974 1.00 11.35 H new ATOM 0 HD21 LEU A 46 -10.806 -10.101 -9.785 1.00 62.13 H new ATOM 0 HD22 LEU A 46 -10.011 -8.997 -8.636 1.00 62.13 H new ATOM 0 HD23 LEU A 46 -9.050 -10.208 -9.519 1.00 62.13 H new ATOM 718 N VAL A 47 -7.819 -12.007 -3.690 1.00 45.30 N ATOM 719 CA VAL A 47 -6.770 -11.817 -2.687 1.00 15.10 C ATOM 720 C VAL A 47 -6.126 -13.178 -2.378 1.00 61.52 C ATOM 721 O VAL A 47 -6.730 -14.234 -2.583 1.00 71.32 O ATOM 722 CB VAL A 47 -7.378 -11.165 -1.418 1.00 2.31 C ATOM 723 CG1 VAL A 47 -6.343 -10.895 -0.318 1.00 43.23 C ATOM 724 CG2 VAL A 47 -8.092 -9.835 -1.700 1.00 13.25 C ATOM 0 H VAL A 47 -8.706 -12.293 -3.276 1.00 45.30 H new ATOM 0 HA VAL A 47 -5.995 -11.149 -3.062 1.00 15.10 H new ATOM 0 HB VAL A 47 -8.098 -11.909 -1.077 1.00 2.31 H new ATOM 0 HG11 VAL A 47 -6.835 -10.438 0.541 1.00 43.23 H new ATOM 0 HG12 VAL A 47 -5.881 -11.835 -0.014 1.00 43.23 H new ATOM 0 HG13 VAL A 47 -5.576 -10.220 -0.698 1.00 43.23 H new ATOM 0 HG21 VAL A 47 -8.494 -9.433 -0.770 1.00 13.25 H new ATOM 0 HG22 VAL A 47 -7.383 -9.125 -2.126 1.00 13.25 H new ATOM 0 HG23 VAL A 47 -8.906 -10.002 -2.405 1.00 13.25 H new ATOM 734 N ALA A 48 -4.888 -13.151 -1.877 1.00 55.00 N ATOM 735 CA ALA A 48 -4.156 -14.320 -1.408 1.00 0.53 C ATOM 736 C ALA A 48 -4.787 -14.899 -0.128 1.00 52.50 C ATOM 737 O ALA A 48 -5.415 -14.145 0.625 1.00 63.33 O ATOM 738 CB ALA A 48 -2.717 -13.881 -1.122 1.00 43.45 C ATOM 0 H ALA A 48 -4.355 -12.286 -1.786 1.00 55.00 H new ATOM 0 HA ALA A 48 -4.186 -15.100 -2.169 1.00 0.53 H new ATOM 0 HB1 ALA A 48 -2.140 -14.735 -0.768 1.00 43.45 H new ATOM 0 HB2 ALA A 48 -2.267 -13.492 -2.035 1.00 43.45 H new ATOM 0 HB3 ALA A 48 -2.719 -13.103 -0.359 1.00 43.45 H new ATOM 744 N PRO A 49 -4.558 -16.187 0.194 1.00 20.40 N ATOM 745 CA PRO A 49 -5.175 -16.839 1.345 1.00 61.43 C ATOM 746 C PRO A 49 -4.783 -16.147 2.646 1.00 30.51 C ATOM 747 O PRO A 49 -5.666 -15.794 3.428 1.00 53.12 O ATOM 748 CB PRO A 49 -4.733 -18.311 1.307 1.00 14.43 C ATOM 749 CG PRO A 49 -3.509 -18.323 0.393 1.00 2.14 C ATOM 750 CD PRO A 49 -3.729 -17.134 -0.541 1.00 12.21 C ATOM 0 HA PRO A 49 -6.262 -16.775 1.300 1.00 61.43 H new ATOM 0 HB2 PRO A 49 -4.487 -18.677 2.304 1.00 14.43 H new ATOM 0 HB3 PRO A 49 -5.524 -18.952 0.919 1.00 14.43 H new ATOM 0 HG2 PRO A 49 -2.586 -18.217 0.962 1.00 2.14 H new ATOM 0 HG3 PRO A 49 -3.436 -19.258 -0.163 1.00 2.14 H new ATOM 0 HD2 PRO A 49 -2.779 -16.681 -0.825 1.00 12.21 H new ATOM 0 HD3 PRO A 49 -4.220 -17.448 -1.462 1.00 12.21 H new ATOM 758 N GLU A 50 -3.483 -15.904 2.868 1.00 73.45 N ATOM 759 CA GLU A 50 -3.028 -15.361 4.141 1.00 44.20 C ATOM 760 C GLU A 50 -3.642 -13.989 4.418 1.00 42.04 C ATOM 761 O GLU A 50 -3.912 -13.663 5.572 1.00 5.10 O ATOM 762 CB GLU A 50 -1.490 -15.350 4.251 1.00 74.12 C ATOM 763 CG GLU A 50 -0.706 -14.326 3.410 1.00 75.15 C ATOM 764 CD GLU A 50 0.746 -14.251 3.910 1.00 25.23 C ATOM 765 OE1 GLU A 50 0.999 -13.667 4.991 1.00 1.53 O ATOM 766 OE2 GLU A 50 1.630 -14.897 3.300 1.00 61.41 O ATOM 0 H GLU A 50 -2.742 -16.075 2.188 1.00 73.45 H new ATOM 0 HA GLU A 50 -3.385 -16.031 4.923 1.00 44.20 H new ATOM 0 HB2 GLU A 50 -1.233 -15.188 5.298 1.00 74.12 H new ATOM 0 HB3 GLU A 50 -1.130 -16.344 3.985 1.00 74.12 H new ATOM 0 HG2 GLU A 50 -0.725 -14.613 2.359 1.00 75.15 H new ATOM 0 HG3 GLU A 50 -1.177 -13.345 3.481 1.00 75.15 H new ATOM 773 N TRP A 51 -3.911 -13.200 3.373 1.00 10.03 N ATOM 774 CA TRP A 51 -4.529 -11.895 3.502 1.00 72.45 C ATOM 775 C TRP A 51 -6.011 -12.035 3.795 1.00 13.44 C ATOM 776 O TRP A 51 -6.471 -11.453 4.770 1.00 25.23 O ATOM 777 CB TRP A 51 -4.257 -11.038 2.266 1.00 10.51 C ATOM 778 CG TRP A 51 -2.950 -10.325 2.314 1.00 74.41 C ATOM 779 CD1 TRP A 51 -1.779 -10.861 1.918 1.00 5.12 C ATOM 780 CD2 TRP A 51 -2.656 -8.972 2.775 1.00 44.43 C ATOM 781 NE1 TRP A 51 -0.757 -9.970 2.162 1.00 0.31 N ATOM 782 CE2 TRP A 51 -1.241 -8.780 2.671 1.00 0.32 C ATOM 783 CE3 TRP A 51 -3.431 -7.894 3.277 1.00 42.32 C ATOM 784 CZ2 TRP A 51 -0.618 -7.588 3.072 1.00 71.44 C ATOM 785 CZ3 TRP A 51 -2.817 -6.657 3.557 1.00 21.22 C ATOM 786 CH2 TRP A 51 -1.419 -6.512 3.492 1.00 3.25 C ATOM 0 H TRP A 51 -3.701 -13.460 2.409 1.00 10.03 H new ATOM 0 HA TRP A 51 -4.081 -11.376 4.349 1.00 72.45 H new ATOM 0 HB2 TRP A 51 -4.283 -11.673 1.380 1.00 10.51 H new ATOM 0 HB3 TRP A 51 -5.057 -10.306 2.158 1.00 10.51 H new ATOM 0 HD1 TRP A 51 -1.660 -11.840 1.477 1.00 5.12 H new ATOM 0 HE1 TRP A 51 0.229 -10.164 1.989 1.00 0.31 H new ATOM 0 HE3 TRP A 51 -4.490 -8.022 3.444 1.00 42.32 H new ATOM 0 HZ2 TRP A 51 0.458 -7.499 3.058 1.00 71.44 H new ATOM 0 HZ3 TRP A 51 -3.428 -5.808 3.825 1.00 21.22 H new ATOM 0 HH2 TRP A 51 -0.961 -5.573 3.765 1.00 3.25 H new ATOM 797 N ARG A 52 -6.783 -12.754 2.974 1.00 24.35 N ATOM 798 CA ARG A 52 -8.237 -12.732 3.150 1.00 51.24 C ATOM 799 C ARG A 52 -8.731 -13.493 4.381 1.00 34.02 C ATOM 800 O ARG A 52 -9.875 -13.277 4.770 1.00 12.55 O ATOM 801 CB ARG A 52 -8.955 -13.163 1.874 1.00 60.13 C ATOM 802 CG ARG A 52 -8.786 -14.637 1.481 1.00 52.31 C ATOM 803 CD ARG A 52 -9.231 -14.752 0.024 1.00 53.22 C ATOM 804 NE ARG A 52 -9.370 -16.138 -0.432 1.00 51.20 N ATOM 805 CZ ARG A 52 -10.515 -16.728 -0.784 1.00 13.34 C ATOM 806 NH1 ARG A 52 -11.692 -16.198 -0.468 1.00 74.40 N ATOM 807 NH2 ARG A 52 -10.463 -17.862 -1.460 1.00 43.32 N ATOM 0 H ARG A 52 -6.442 -13.337 2.210 1.00 24.35 H new ATOM 0 HA ARG A 52 -8.497 -11.692 3.348 1.00 51.24 H new ATOM 0 HB2 ARG A 52 -10.019 -12.957 1.990 1.00 60.13 H new ATOM 0 HB3 ARG A 52 -8.598 -12.543 1.051 1.00 60.13 H new ATOM 0 HG2 ARG A 52 -7.749 -14.953 1.596 1.00 52.31 H new ATOM 0 HG3 ARG A 52 -9.388 -15.281 2.122 1.00 52.31 H new ATOM 0 HD2 ARG A 52 -10.185 -14.239 -0.099 1.00 53.22 H new ATOM 0 HD3 ARG A 52 -8.509 -14.239 -0.611 1.00 53.22 H new ATOM 0 HE ARG A 52 -8.520 -16.699 -0.485 1.00 51.20 H new ATOM 0 HH11 ARG A 52 -11.734 -15.323 0.054 1.00 74.40 H new ATOM 0 HH12 ARG A 52 -12.554 -16.666 -0.748 1.00 74.40 H new ATOM 0 HH21 ARG A 52 -9.560 -18.270 -1.703 1.00 43.32 H new ATOM 0 HH22 ARG A 52 -11.326 -18.330 -1.739 1.00 43.32 H new ATOM 821 N GLN A 53 -7.867 -14.299 4.998 1.00 5.23 N ATOM 822 CA GLN A 53 -8.147 -15.263 6.055 1.00 5.13 C ATOM 823 C GLN A 53 -9.077 -14.716 7.131 1.00 32.45 C ATOM 824 O GLN A 53 -10.057 -15.364 7.495 1.00 22.43 O ATOM 825 CB GLN A 53 -6.791 -15.643 6.686 1.00 53.01 C ATOM 826 CG GLN A 53 -6.479 -17.132 6.598 1.00 3.02 C ATOM 827 CD GLN A 53 -5.087 -17.464 7.154 1.00 33.51 C ATOM 828 OE1 GLN A 53 -4.451 -16.676 7.855 1.00 61.20 O ATOM 829 NE2 GLN A 53 -4.553 -18.627 6.821 1.00 63.44 N ATOM 0 H GLN A 53 -6.878 -14.292 4.750 1.00 5.23 H new ATOM 0 HA GLN A 53 -8.658 -16.123 5.622 1.00 5.13 H new ATOM 0 HB2 GLN A 53 -5.998 -15.083 6.190 1.00 53.01 H new ATOM 0 HB3 GLN A 53 -6.788 -15.340 7.733 1.00 53.01 H new ATOM 0 HG2 GLN A 53 -7.233 -17.693 7.150 1.00 3.02 H new ATOM 0 HG3 GLN A 53 -6.540 -17.454 5.558 1.00 3.02 H new ATOM 0 HE21 GLN A 53 -5.078 -19.282 6.241 1.00 63.44 H new ATOM 0 HE22 GLN A 53 -3.617 -18.870 7.145 1.00 63.44 H new ATOM 838 N ASP A 54 -8.755 -13.529 7.644 1.00 44.33 N ATOM 839 CA ASP A 54 -9.378 -12.938 8.818 1.00 60.23 C ATOM 840 C ASP A 54 -9.716 -11.471 8.517 1.00 25.33 C ATOM 841 O ASP A 54 -9.648 -10.606 9.389 1.00 62.14 O ATOM 842 CB ASP A 54 -8.448 -13.052 10.040 1.00 53.45 C ATOM 843 CG ASP A 54 -8.374 -14.426 10.710 1.00 21.10 C ATOM 844 OD1 ASP A 54 -9.295 -15.261 10.570 1.00 23.00 O ATOM 845 OD2 ASP A 54 -7.395 -14.648 11.460 1.00 64.03 O ATOM 0 H ASP A 54 -8.030 -12.937 7.238 1.00 44.33 H new ATOM 0 HA ASP A 54 -10.296 -13.475 9.055 1.00 60.23 H new ATOM 0 HB2 ASP A 54 -7.442 -12.767 9.732 1.00 53.45 H new ATOM 0 HB3 ASP A 54 -8.771 -12.325 10.785 1.00 53.45 H new ATOM 850 N TYR A 55 -9.988 -11.162 7.250 1.00 63.55 N ATOM 851 CA TYR A 55 -10.108 -9.804 6.730 1.00 64.03 C ATOM 852 C TYR A 55 -11.512 -9.609 6.147 1.00 60.20 C ATOM 853 O TYR A 55 -11.695 -9.776 4.938 1.00 4.12 O ATOM 854 CB TYR A 55 -8.976 -9.505 5.731 1.00 75.34 C ATOM 855 CG TYR A 55 -7.657 -9.133 6.386 1.00 25.22 C ATOM 856 CD1 TYR A 55 -6.992 -10.033 7.245 1.00 20.15 C ATOM 857 CD2 TYR A 55 -7.120 -7.847 6.191 1.00 14.20 C ATOM 858 CE1 TYR A 55 -5.869 -9.633 7.981 1.00 35.44 C ATOM 859 CE2 TYR A 55 -6.058 -7.408 6.987 1.00 63.41 C ATOM 860 CZ TYR A 55 -5.440 -8.298 7.889 1.00 51.20 C ATOM 861 OH TYR A 55 -4.409 -7.859 8.649 1.00 11.45 O ATOM 0 H TYR A 55 -10.135 -11.875 6.535 1.00 63.55 H new ATOM 0 HA TYR A 55 -9.991 -9.077 7.533 1.00 64.03 H new ATOM 0 HB2 TYR A 55 -8.822 -10.380 5.099 1.00 75.34 H new ATOM 0 HB3 TYR A 55 -9.288 -8.690 5.077 1.00 75.34 H new ATOM 0 HD1 TYR A 55 -7.354 -11.046 7.337 1.00 20.15 H new ATOM 0 HD2 TYR A 55 -7.528 -7.200 5.428 1.00 14.20 H new ATOM 0 HE1 TYR A 55 -5.343 -10.338 8.608 1.00 35.44 H new ATOM 0 HE2 TYR A 55 -5.711 -6.388 6.911 1.00 63.41 H new ATOM 0 HH TYR A 55 -4.243 -6.912 8.459 1.00 11.45 H new ATOM 871 N PRO A 56 -12.519 -9.311 6.990 1.00 21.45 N ATOM 872 CA PRO A 56 -13.869 -8.957 6.562 1.00 32.25 C ATOM 873 C PRO A 56 -14.015 -7.496 6.102 1.00 34.13 C ATOM 874 O PRO A 56 -15.097 -7.107 5.654 1.00 4.33 O ATOM 875 CB PRO A 56 -14.746 -9.206 7.792 1.00 3.01 C ATOM 876 CG PRO A 56 -13.805 -8.909 8.956 1.00 64.22 C ATOM 877 CD PRO A 56 -12.468 -9.433 8.442 1.00 62.21 C ATOM 0 HA PRO A 56 -14.149 -9.551 5.692 1.00 32.25 H new ATOM 0 HB2 PRO A 56 -15.619 -8.553 7.803 1.00 3.01 H new ATOM 0 HB3 PRO A 56 -15.114 -10.231 7.823 1.00 3.01 H new ATOM 0 HG2 PRO A 56 -13.763 -7.844 9.182 1.00 64.22 H new ATOM 0 HG3 PRO A 56 -14.116 -9.417 9.869 1.00 64.22 H new ATOM 0 HD2 PRO A 56 -11.639 -8.857 8.853 1.00 62.21 H new ATOM 0 HD3 PRO A 56 -12.314 -10.470 8.741 1.00 62.21 H new ATOM 885 N GLU A 57 -12.985 -6.659 6.212 1.00 72.22 N ATOM 886 CA GLU A 57 -12.979 -5.292 5.691 1.00 20.34 C ATOM 887 C GLU A 57 -11.645 -5.025 4.998 1.00 41.41 C ATOM 888 O GLU A 57 -10.652 -5.696 5.304 1.00 54.14 O ATOM 889 CB GLU A 57 -13.192 -4.265 6.818 1.00 1.54 C ATOM 890 CG GLU A 57 -14.670 -4.088 7.171 1.00 52.32 C ATOM 891 CD GLU A 57 -14.924 -2.753 7.873 1.00 1.30 C ATOM 892 OE1 GLU A 57 -14.298 -2.508 8.930 1.00 75.25 O ATOM 893 OE2 GLU A 57 -15.788 -1.987 7.390 1.00 52.43 O ATOM 0 H GLU A 57 -12.113 -6.917 6.675 1.00 72.22 H new ATOM 0 HA GLU A 57 -13.799 -5.188 4.980 1.00 20.34 H new ATOM 0 HB2 GLU A 57 -12.645 -4.584 7.705 1.00 1.54 H new ATOM 0 HB3 GLU A 57 -12.776 -3.304 6.515 1.00 1.54 H new ATOM 0 HG2 GLU A 57 -15.271 -4.143 6.263 1.00 52.32 H new ATOM 0 HG3 GLU A 57 -14.991 -4.906 7.816 1.00 52.32 H new ATOM 900 N PRO A 58 -11.576 -4.022 4.105 1.00 55.55 N ATOM 901 CA PRO A 58 -10.284 -3.540 3.662 1.00 50.21 C ATOM 902 C PRO A 58 -9.575 -2.845 4.845 1.00 14.34 C ATOM 903 O PRO A 58 -10.238 -2.285 5.724 1.00 71.24 O ATOM 904 CB PRO A 58 -10.614 -2.569 2.530 1.00 21.01 C ATOM 905 CG PRO A 58 -11.983 -2.009 2.905 1.00 41.13 C ATOM 906 CD PRO A 58 -12.660 -3.206 3.568 1.00 74.24 C ATOM 0 HA PRO A 58 -9.609 -4.323 3.318 1.00 50.21 H new ATOM 0 HB2 PRO A 58 -9.868 -1.778 2.453 1.00 21.01 H new ATOM 0 HB3 PRO A 58 -10.642 -3.076 1.566 1.00 21.01 H new ATOM 0 HG2 PRO A 58 -11.902 -1.161 3.585 1.00 41.13 H new ATOM 0 HG3 PRO A 58 -12.534 -1.665 2.030 1.00 41.13 H new ATOM 0 HD2 PRO A 58 -13.338 -2.885 4.359 1.00 74.24 H new ATOM 0 HD3 PRO A 58 -13.254 -3.768 2.848 1.00 74.24 H new ATOM 914 N PRO A 59 -8.236 -2.814 4.864 1.00 43.50 N ATOM 915 CA PRO A 59 -7.485 -2.353 6.030 1.00 61.52 C ATOM 916 C PRO A 59 -7.397 -0.826 6.136 1.00 65.52 C ATOM 917 O PRO A 59 -6.954 -0.159 5.197 1.00 44.31 O ATOM 918 CB PRO A 59 -6.107 -2.996 5.895 1.00 71.55 C ATOM 919 CG PRO A 59 -5.965 -3.265 4.401 1.00 72.44 C ATOM 920 CD PRO A 59 -7.386 -3.585 3.974 1.00 63.13 C ATOM 0 HA PRO A 59 -7.988 -2.645 6.952 1.00 61.52 H new ATOM 0 HB2 PRO A 59 -5.321 -2.333 6.257 1.00 71.55 H new ATOM 0 HB3 PRO A 59 -6.039 -3.917 6.474 1.00 71.55 H new ATOM 0 HG2 PRO A 59 -5.570 -2.398 3.871 1.00 72.44 H new ATOM 0 HG3 PRO A 59 -5.288 -4.096 4.203 1.00 72.44 H new ATOM 0 HD2 PRO A 59 -7.555 -3.311 2.933 1.00 63.13 H new ATOM 0 HD3 PRO A 59 -7.592 -4.652 4.060 1.00 63.13 H new ATOM 928 N ASP A 60 -7.751 -0.289 7.306 1.00 23.03 N ATOM 929 CA ASP A 60 -7.695 1.114 7.687 1.00 63.42 C ATOM 930 C ASP A 60 -6.262 1.528 8.020 1.00 54.53 C ATOM 931 O ASP A 60 -5.938 1.856 9.162 1.00 73.53 O ATOM 932 CB ASP A 60 -8.653 1.409 8.867 1.00 75.41 C ATOM 933 CG ASP A 60 -8.824 0.328 9.948 1.00 10.31 C ATOM 934 OD1 ASP A 60 -7.866 -0.394 10.301 1.00 61.45 O ATOM 935 OD2 ASP A 60 -9.969 0.204 10.443 1.00 44.43 O ATOM 0 H ASP A 60 -8.110 -0.871 8.063 1.00 23.03 H new ATOM 0 HA ASP A 60 -8.027 1.710 6.837 1.00 63.42 H new ATOM 0 HB2 ASP A 60 -8.308 2.319 9.357 1.00 75.41 H new ATOM 0 HB3 ASP A 60 -9.638 1.624 8.452 1.00 75.41 H new ATOM 940 N PHE A 61 -5.384 1.597 7.015 1.00 4.44 N ATOM 941 CA PHE A 61 -3.997 1.989 7.245 1.00 3.15 C ATOM 942 C PHE A 61 -3.850 3.444 7.724 1.00 44.34 C ATOM 943 O PHE A 61 -2.797 3.798 8.266 1.00 35.43 O ATOM 944 CB PHE A 61 -3.193 1.817 5.960 1.00 3.33 C ATOM 945 CG PHE A 61 -3.051 0.420 5.403 1.00 62.30 C ATOM 946 CD1 PHE A 61 -2.141 -0.483 5.986 1.00 13.11 C ATOM 947 CD2 PHE A 61 -3.718 0.075 4.216 1.00 23.20 C ATOM 948 CE1 PHE A 61 -1.890 -1.723 5.377 1.00 35.32 C ATOM 949 CE2 PHE A 61 -3.447 -1.152 3.595 1.00 33.33 C ATOM 950 CZ PHE A 61 -2.554 -2.060 4.186 1.00 1.52 C ATOM 0 H PHE A 61 -5.610 1.388 6.043 1.00 4.44 H new ATOM 0 HA PHE A 61 -3.620 1.341 8.036 1.00 3.15 H new ATOM 0 HB2 PHE A 61 -3.651 2.440 5.192 1.00 3.33 H new ATOM 0 HB3 PHE A 61 -2.192 2.212 6.135 1.00 3.33 H new ATOM 0 HD1 PHE A 61 -1.635 -0.221 6.904 1.00 13.11 H new ATOM 0 HD2 PHE A 61 -4.438 0.754 3.783 1.00 23.20 H new ATOM 0 HE1 PHE A 61 -1.190 -2.414 5.822 1.00 35.32 H new ATOM 0 HE2 PHE A 61 -3.926 -1.400 2.659 1.00 33.33 H new ATOM 0 HZ PHE A 61 -2.377 -3.020 3.724 1.00 1.52 H new ATOM 960 N ILE A 62 -4.853 4.302 7.509 1.00 12.40 N ATOM 961 CA ILE A 62 -4.810 5.703 7.919 1.00 42.12 C ATOM 962 C ILE A 62 -5.019 5.781 9.430 1.00 52.21 C ATOM 963 O ILE A 62 -4.118 6.210 10.157 1.00 51.21 O ATOM 964 CB ILE A 62 -5.826 6.540 7.107 1.00 62.50 C ATOM 965 CG1 ILE A 62 -5.408 6.641 5.626 1.00 41.11 C ATOM 966 CG2 ILE A 62 -6.052 7.948 7.676 1.00 62.10 C ATOM 967 CD1 ILE A 62 -4.160 7.488 5.319 1.00 45.31 C ATOM 0 H ILE A 62 -5.721 4.039 7.043 1.00 12.40 H new ATOM 0 HA ILE A 62 -3.835 6.138 7.702 1.00 42.12 H new ATOM 0 HB ILE A 62 -6.772 6.005 7.185 1.00 62.50 H new ATOM 0 HG12 ILE A 62 -5.236 5.632 5.251 1.00 41.11 H new ATOM 0 HG13 ILE A 62 -6.246 7.052 5.063 1.00 41.11 H new ATOM 0 HG21 ILE A 62 -6.776 8.479 7.057 1.00 62.10 H new ATOM 0 HG22 ILE A 62 -6.432 7.872 8.695 1.00 62.10 H new ATOM 0 HG23 ILE A 62 -5.109 8.494 7.680 1.00 62.10 H new ATOM 0 HD11 ILE A 62 -3.970 7.481 4.246 1.00 45.31 H new ATOM 0 HD12 ILE A 62 -4.325 8.513 5.651 1.00 45.31 H new ATOM 0 HD13 ILE A 62 -3.300 7.071 5.842 1.00 45.31 H new ATOM 979 N ALA A 63 -6.196 5.389 9.922 1.00 13.34 N ATOM 980 CA ALA A 63 -6.503 5.486 11.343 1.00 12.20 C ATOM 981 C ALA A 63 -5.743 4.444 12.164 1.00 33.41 C ATOM 982 O ALA A 63 -5.336 4.731 13.291 1.00 61.44 O ATOM 983 CB ALA A 63 -8.004 5.311 11.551 1.00 50.20 C ATOM 0 H ALA A 63 -6.950 5.002 9.354 1.00 13.34 H new ATOM 0 HA ALA A 63 -6.188 6.471 11.688 1.00 12.20 H new ATOM 0 HB1 ALA A 63 -8.235 5.383 12.614 1.00 50.20 H new ATOM 0 HB2 ALA A 63 -8.540 6.091 11.009 1.00 50.20 H new ATOM 0 HB3 ALA A 63 -8.311 4.334 11.179 1.00 50.20 H new ATOM 989 N SER A 64 -5.531 3.254 11.607 1.00 40.22 N ATOM 990 CA SER A 64 -5.007 2.101 12.306 1.00 24.41 C ATOM 991 C SER A 64 -3.753 1.582 11.612 1.00 75.34 C ATOM 992 O SER A 64 -3.352 2.088 10.560 1.00 75.34 O ATOM 993 CB SER A 64 -6.131 1.069 12.431 1.00 14.34 C ATOM 994 OG SER A 64 -6.220 0.634 13.771 1.00 33.55 O ATOM 0 H SER A 64 -5.728 3.068 10.624 1.00 40.22 H new ATOM 0 HA SER A 64 -4.685 2.357 13.315 1.00 24.41 H new ATOM 0 HB2 SER A 64 -7.078 1.506 12.115 1.00 14.34 H new ATOM 0 HB3 SER A 64 -5.936 0.221 11.774 1.00 14.34 H new ATOM 0 HG SER A 64 -6.940 -0.026 13.854 1.00 33.55 H new ATOM 1000 N ARG A 65 -3.054 0.617 12.211 1.00 4.13 N ATOM 1001 CA ARG A 65 -1.954 -0.045 11.516 1.00 35.11 C ATOM 1002 C ARG A 65 -1.879 -1.541 11.859 1.00 73.44 C ATOM 1003 O ARG A 65 -0.768 -2.060 11.978 1.00 41.42 O ATOM 1004 CB ARG A 65 -0.664 0.748 11.866 1.00 71.42 C ATOM 1005 CG ARG A 65 -0.374 1.002 13.360 1.00 44.34 C ATOM 1006 CD ARG A 65 0.177 -0.230 14.076 1.00 63.01 C ATOM 1007 NE ARG A 65 0.482 0.013 15.494 1.00 70.20 N ATOM 1008 CZ ARG A 65 1.292 -0.775 16.209 1.00 11.51 C ATOM 1009 NH1 ARG A 65 2.086 -1.646 15.594 1.00 3.54 N ATOM 1010 NH2 ARG A 65 1.326 -0.694 17.531 1.00 31.53 N ATOM 0 H ARG A 65 -3.227 0.282 13.159 1.00 4.13 H new ATOM 0 HA ARG A 65 -2.100 -0.033 10.436 1.00 35.11 H new ATOM 0 HB2 ARG A 65 0.186 0.213 11.443 1.00 71.42 H new ATOM 0 HB3 ARG A 65 -0.715 1.714 11.363 1.00 71.42 H new ATOM 0 HG2 ARG A 65 0.341 1.820 13.452 1.00 44.34 H new ATOM 0 HG3 ARG A 65 -1.291 1.323 13.854 1.00 44.34 H new ATOM 0 HD2 ARG A 65 -0.548 -1.041 14.001 1.00 63.01 H new ATOM 0 HD3 ARG A 65 1.082 -0.563 13.568 1.00 63.01 H new ATOM 0 HE ARG A 65 0.057 0.819 15.953 1.00 70.20 H new ATOM 0 HH11 ARG A 65 2.078 -1.713 14.576 1.00 3.54 H new ATOM 0 HH12 ARG A 65 2.704 -2.247 16.140 1.00 3.54 H new ATOM 0 HH21 ARG A 65 0.729 -0.024 18.016 1.00 31.53 H new ATOM 0 HH22 ARG A 65 1.949 -1.302 18.063 1.00 31.53 H new ATOM 1024 N PRO A 66 -2.975 -2.320 11.764 1.00 40.14 N ATOM 1025 CA PRO A 66 -2.910 -3.739 12.085 1.00 53.12 C ATOM 1026 C PRO A 66 -2.249 -4.455 10.909 1.00 24.04 C ATOM 1027 O PRO A 66 -1.221 -5.125 11.046 1.00 42.44 O ATOM 1028 CB PRO A 66 -4.362 -4.154 12.352 1.00 71.10 C ATOM 1029 CG PRO A 66 -5.201 -3.178 11.530 1.00 43.11 C ATOM 1030 CD PRO A 66 -4.363 -1.909 11.577 1.00 0.30 C ATOM 0 HA PRO A 66 -2.311 -3.991 12.960 1.00 53.12 H new ATOM 0 HB2 PRO A 66 -4.542 -5.185 12.047 1.00 71.10 H new ATOM 0 HB3 PRO A 66 -4.604 -4.088 13.413 1.00 71.10 H new ATOM 0 HG2 PRO A 66 -5.349 -3.530 10.509 1.00 43.11 H new ATOM 0 HG3 PRO A 66 -6.190 -3.028 11.962 1.00 43.11 H new ATOM 0 HD2 PRO A 66 -4.475 -1.339 10.655 1.00 0.30 H new ATOM 0 HD3 PRO A 66 -4.687 -1.263 12.393 1.00 0.30 H new ATOM 1038 N ALA A 67 -2.780 -4.169 9.723 1.00 71.04 N ATOM 1039 CA ALA A 67 -2.342 -4.623 8.421 1.00 35.41 C ATOM 1040 C ALA A 67 -0.890 -4.281 8.092 1.00 35.22 C ATOM 1041 O ALA A 67 -0.312 -4.861 7.178 1.00 13.23 O ATOM 1042 CB ALA A 67 -3.275 -3.970 7.405 1.00 11.44 C ATOM 0 H ALA A 67 -3.596 -3.562 9.651 1.00 71.04 H new ATOM 0 HA ALA A 67 -2.383 -5.712 8.400 1.00 35.41 H new ATOM 0 HB1 ALA A 67 -2.990 -4.278 6.399 1.00 11.44 H new ATOM 0 HB2 ALA A 67 -4.301 -4.279 7.602 1.00 11.44 H new ATOM 0 HB3 ALA A 67 -3.200 -2.886 7.487 1.00 11.44 H new ATOM 1048 N THR A 68 -0.266 -3.357 8.814 1.00 51.21 N ATOM 1049 CA THR A 68 1.126 -2.996 8.609 1.00 72.02 C ATOM 1050 C THR A 68 2.059 -4.183 8.906 1.00 13.11 C ATOM 1051 O THR A 68 3.061 -4.384 8.212 1.00 61.33 O ATOM 1052 CB THR A 68 1.392 -1.757 9.466 1.00 2.44 C ATOM 1053 OG1 THR A 68 0.469 -0.744 9.096 1.00 5.40 O ATOM 1054 CG2 THR A 68 2.788 -1.210 9.256 1.00 42.40 C ATOM 0 H THR A 68 -0.719 -2.835 9.564 1.00 51.21 H new ATOM 0 HA THR A 68 1.333 -2.751 7.567 1.00 72.02 H new ATOM 0 HB THR A 68 1.285 -2.046 10.512 1.00 2.44 H new ATOM 0 HG1 THR A 68 0.875 0.136 9.238 1.00 5.40 H new ATOM 0 HG21 THR A 68 2.933 -0.331 9.884 1.00 42.40 H new ATOM 0 HG22 THR A 68 3.521 -1.971 9.523 1.00 42.40 H new ATOM 0 HG23 THR A 68 2.917 -0.933 8.210 1.00 42.40 H new ATOM 1062 N VAL A 69 1.687 -5.040 9.860 1.00 41.51 N ATOM 1063 CA VAL A 69 2.379 -6.297 10.121 1.00 72.34 C ATOM 1064 C VAL A 69 2.277 -7.201 8.885 1.00 43.25 C ATOM 1065 O VAL A 69 3.251 -7.857 8.496 1.00 13.43 O ATOM 1066 CB VAL A 69 1.763 -6.950 11.377 1.00 61.24 C ATOM 1067 CG1 VAL A 69 2.461 -8.279 11.712 1.00 30.30 C ATOM 1068 CG2 VAL A 69 1.845 -5.981 12.577 1.00 0.14 C ATOM 0 H VAL A 69 0.890 -4.876 10.476 1.00 41.51 H new ATOM 0 HA VAL A 69 3.438 -6.128 10.313 1.00 72.34 H new ATOM 0 HB VAL A 69 0.715 -7.165 11.167 1.00 61.24 H new ATOM 0 HG11 VAL A 69 2.006 -8.715 12.601 1.00 30.30 H new ATOM 0 HG12 VAL A 69 2.353 -8.968 10.874 1.00 30.30 H new ATOM 0 HG13 VAL A 69 3.519 -8.097 11.899 1.00 30.30 H new ATOM 0 HG21 VAL A 69 1.407 -6.453 13.457 1.00 0.14 H new ATOM 0 HG22 VAL A 69 2.888 -5.737 12.777 1.00 0.14 H new ATOM 0 HG23 VAL A 69 1.297 -5.068 12.345 1.00 0.14 H new ATOM 1078 N LYS A 70 1.109 -7.212 8.238 1.00 42.13 N ATOM 1079 CA LYS A 70 0.851 -8.059 7.089 1.00 60.43 C ATOM 1080 C LYS A 70 1.582 -7.556 5.851 1.00 1.14 C ATOM 1081 O LYS A 70 2.166 -8.369 5.146 1.00 52.42 O ATOM 1082 CB LYS A 70 -0.652 -8.167 6.849 1.00 70.03 C ATOM 1083 CG LYS A 70 -1.065 -9.529 6.268 1.00 42.44 C ATOM 1084 CD LYS A 70 -2.555 -9.807 6.531 1.00 54.23 C ATOM 1085 CE LYS A 70 -2.931 -11.276 6.691 1.00 53.21 C ATOM 1086 NZ LYS A 70 -2.513 -11.871 7.978 1.00 44.52 N ATOM 0 H LYS A 70 0.317 -6.628 8.504 1.00 42.13 H new ATOM 0 HA LYS A 70 1.238 -9.056 7.299 1.00 60.43 H new ATOM 0 HB2 LYS A 70 -1.178 -8.003 7.789 1.00 70.03 H new ATOM 0 HB3 LYS A 70 -0.964 -7.376 6.167 1.00 70.03 H new ATOM 0 HG2 LYS A 70 -0.871 -9.546 5.195 1.00 42.44 H new ATOM 0 HG3 LYS A 70 -0.459 -10.318 6.714 1.00 42.44 H new ATOM 0 HD2 LYS A 70 -2.852 -9.274 7.434 1.00 54.23 H new ATOM 0 HD3 LYS A 70 -3.135 -9.389 5.708 1.00 54.23 H new ATOM 0 HE2 LYS A 70 -4.012 -11.376 6.591 1.00 53.21 H new ATOM 0 HE3 LYS A 70 -2.482 -11.845 5.877 1.00 53.21 H new ATOM 0 HZ1 LYS A 70 -2.804 -12.869 8.010 1.00 44.52 H new ATOM 0 HZ2 LYS A 70 -1.479 -11.809 8.070 1.00 44.52 H new ATOM 0 HZ3 LYS A 70 -2.961 -11.354 8.761 1.00 44.52 H new ATOM 1100 N LEU A 71 1.633 -6.236 5.627 1.00 45.55 N ATOM 1101 CA LEU A 71 2.462 -5.644 4.574 1.00 72.23 C ATOM 1102 C LEU A 71 3.894 -6.145 4.726 1.00 5.02 C ATOM 1103 O LEU A 71 4.544 -6.512 3.755 1.00 51.02 O ATOM 1104 CB LEU A 71 2.482 -4.102 4.630 1.00 31.14 C ATOM 1105 CG LEU A 71 1.177 -3.373 4.300 1.00 3.42 C ATOM 1106 CD1 LEU A 71 1.381 -1.875 4.580 1.00 34.42 C ATOM 1107 CD2 LEU A 71 0.677 -3.502 2.863 1.00 71.11 C ATOM 0 H LEU A 71 1.103 -5.553 6.169 1.00 45.55 H new ATOM 0 HA LEU A 71 2.030 -5.942 3.619 1.00 72.23 H new ATOM 0 HB2 LEU A 71 2.791 -3.804 5.632 1.00 31.14 H new ATOM 0 HB3 LEU A 71 3.250 -3.749 3.941 1.00 31.14 H new ATOM 0 HG LEU A 71 0.421 -3.848 4.925 1.00 3.42 H new ATOM 0 HD11 LEU A 71 0.463 -1.334 4.352 1.00 34.42 H new ATOM 0 HD12 LEU A 71 1.635 -1.732 5.630 1.00 34.42 H new ATOM 0 HD13 LEU A 71 2.190 -1.495 3.957 1.00 34.42 H new ATOM 0 HD21 LEU A 71 -0.253 -2.945 2.750 1.00 71.11 H new ATOM 0 HD22 LEU A 71 1.426 -3.101 2.180 1.00 71.11 H new ATOM 0 HD23 LEU A 71 0.501 -4.553 2.632 1.00 71.11 H new ATOM 1119 N THR A 72 4.407 -6.161 5.951 1.00 22.22 N ATOM 1120 CA THR A 72 5.794 -6.492 6.205 1.00 44.45 C ATOM 1121 C THR A 72 6.126 -7.943 5.794 1.00 13.41 C ATOM 1122 O THR A 72 7.266 -8.249 5.441 1.00 54.43 O ATOM 1123 CB THR A 72 6.044 -6.169 7.680 1.00 40.25 C ATOM 1124 OG1 THR A 72 5.823 -4.783 7.905 1.00 20.53 O ATOM 1125 CG2 THR A 72 7.456 -6.560 8.063 1.00 11.13 C ATOM 0 H THR A 72 3.870 -5.945 6.791 1.00 22.22 H new ATOM 0 HA THR A 72 6.476 -5.904 5.591 1.00 44.45 H new ATOM 0 HB THR A 72 5.353 -6.738 8.302 1.00 40.25 H new ATOM 0 HG1 THR A 72 4.865 -4.621 8.030 1.00 20.53 H new ATOM 0 HG21 THR A 72 7.626 -6.327 9.114 1.00 11.13 H new ATOM 0 HG22 THR A 72 7.594 -7.629 7.902 1.00 11.13 H new ATOM 0 HG23 THR A 72 8.166 -6.006 7.449 1.00 11.13 H new ATOM 1133 N ARG A 73 5.139 -8.839 5.783 1.00 12.42 N ATOM 1134 CA ARG A 73 5.293 -10.212 5.295 1.00 34.55 C ATOM 1135 C ARG A 73 5.752 -10.254 3.831 1.00 73.43 C ATOM 1136 O ARG A 73 6.425 -11.209 3.439 1.00 74.42 O ATOM 1137 CB ARG A 73 3.976 -11.008 5.406 1.00 43.03 C ATOM 1138 CG ARG A 73 3.299 -10.964 6.789 1.00 1.25 C ATOM 1139 CD ARG A 73 3.096 -12.266 7.565 1.00 1.21 C ATOM 1140 NE ARG A 73 4.262 -13.161 7.555 1.00 73.21 N ATOM 1141 CZ ARG A 73 4.423 -14.221 6.751 1.00 4.51 C ATOM 1142 NH1 ARG A 73 3.541 -14.549 5.814 1.00 51.45 N ATOM 1143 NH2 ARG A 73 5.503 -14.969 6.910 1.00 54.04 N ATOM 0 H ARG A 73 4.198 -8.630 6.117 1.00 12.42 H new ATOM 0 HA ARG A 73 6.055 -10.667 5.929 1.00 34.55 H new ATOM 0 HB2 ARG A 73 3.275 -10.626 4.664 1.00 43.03 H new ATOM 0 HB3 ARG A 73 4.176 -12.048 5.150 1.00 43.03 H new ATOM 0 HG2 ARG A 73 3.885 -10.295 7.419 1.00 1.25 H new ATOM 0 HG3 ARG A 73 2.319 -10.504 6.660 1.00 1.25 H new ATOM 0 HD2 ARG A 73 2.846 -12.025 8.598 1.00 1.21 H new ATOM 0 HD3 ARG A 73 2.241 -12.796 7.146 1.00 1.21 H new ATOM 0 HE ARG A 73 5.012 -12.958 8.216 1.00 73.21 H new ATOM 0 HH11 ARG A 73 2.701 -13.985 5.685 1.00 51.45 H new ATOM 0 HH12 ARG A 73 3.704 -15.365 5.224 1.00 51.45 H new ATOM 0 HH21 ARG A 73 6.186 -14.732 7.630 1.00 54.04 H new ATOM 0 HH22 ARG A 73 5.653 -15.782 6.313 1.00 54.04 H new ATOM 1157 N SER A 74 5.366 -9.256 3.033 1.00 30.33 N ATOM 1158 CA SER A 74 5.656 -9.126 1.609 1.00 44.50 C ATOM 1159 C SER A 74 6.962 -8.344 1.337 1.00 54.23 C ATOM 1160 O SER A 74 7.318 -8.127 0.172 1.00 31.43 O ATOM 1161 CB SER A 74 4.462 -8.406 0.958 1.00 30.12 C ATOM 1162 OG SER A 74 3.204 -8.988 1.272 1.00 31.13 O ATOM 0 H SER A 74 4.812 -8.475 3.386 1.00 30.33 H new ATOM 0 HA SER A 74 5.802 -10.120 1.185 1.00 44.50 H new ATOM 0 HB2 SER A 74 4.460 -7.364 1.277 1.00 30.12 H new ATOM 0 HB3 SER A 74 4.594 -8.408 -0.124 1.00 30.12 H new ATOM 0 HG SER A 74 2.634 -8.986 0.475 1.00 31.13 H new ATOM 1168 N ILE A 75 7.668 -7.880 2.380 1.00 31.14 N ATOM 1169 CA ILE A 75 8.844 -7.011 2.284 1.00 32.21 C ATOM 1170 C ILE A 75 10.070 -7.773 2.833 1.00 33.01 C ATOM 1171 O ILE A 75 10.386 -7.657 4.021 1.00 2.13 O ATOM 1172 CB ILE A 75 8.589 -5.633 2.942 1.00 32.13 C ATOM 1173 CG1 ILE A 75 7.334 -4.951 2.340 1.00 4.33 C ATOM 1174 CG2 ILE A 75 9.804 -4.707 2.730 1.00 64.23 C ATOM 1175 CD1 ILE A 75 6.902 -3.698 3.105 1.00 20.14 C ATOM 0 H ILE A 75 7.425 -8.109 3.344 1.00 31.14 H new ATOM 0 HA ILE A 75 9.057 -6.769 1.243 1.00 32.21 H new ATOM 0 HB ILE A 75 8.429 -5.801 4.007 1.00 32.13 H new ATOM 0 HG12 ILE A 75 7.536 -4.684 1.303 1.00 4.33 H new ATOM 0 HG13 ILE A 75 6.510 -5.665 2.330 1.00 4.33 H new ATOM 0 HG21 ILE A 75 9.612 -3.741 3.198 1.00 64.23 H new ATOM 0 HG22 ILE A 75 10.688 -5.158 3.180 1.00 64.23 H new ATOM 0 HG23 ILE A 75 9.972 -4.566 1.662 1.00 64.23 H new ATOM 0 HD11 ILE A 75 6.018 -3.269 2.632 1.00 20.14 H new ATOM 0 HD12 ILE A 75 6.669 -3.964 4.136 1.00 20.14 H new ATOM 0 HD13 ILE A 75 7.711 -2.967 3.093 1.00 20.14 H new ATOM 1187 N PRO A 76 10.751 -8.583 2.003 1.00 54.25 N ATOM 1188 CA PRO A 76 12.013 -9.240 2.337 1.00 41.30 C ATOM 1189 C PRO A 76 13.189 -8.237 2.360 1.00 45.45 C ATOM 1190 O PRO A 76 13.033 -7.061 2.019 1.00 40.13 O ATOM 1191 CB PRO A 76 12.167 -10.288 1.227 1.00 3.24 C ATOM 1192 CG PRO A 76 11.630 -9.558 0.015 1.00 45.24 C ATOM 1193 CD PRO A 76 10.395 -8.898 0.627 1.00 72.25 C ATOM 0 HA PRO A 76 12.016 -9.682 3.333 1.00 41.30 H new ATOM 0 HB2 PRO A 76 13.206 -10.588 1.093 1.00 3.24 H new ATOM 0 HB3 PRO A 76 11.599 -11.193 1.441 1.00 3.24 H new ATOM 0 HG2 PRO A 76 12.338 -8.830 -0.381 1.00 45.24 H new ATOM 0 HG3 PRO A 76 11.379 -10.235 -0.802 1.00 45.24 H new ATOM 0 HD2 PRO A 76 10.122 -7.997 0.078 1.00 72.25 H new ATOM 0 HD3 PRO A 76 9.535 -9.567 0.589 1.00 72.25 H new ATOM 1201 N ALA A 77 14.390 -8.709 2.715 1.00 20.54 N ATOM 1202 CA ALA A 77 15.623 -7.932 2.853 1.00 24.12 C ATOM 1203 C ALA A 77 16.033 -7.120 1.609 1.00 63.10 C ATOM 1204 O ALA A 77 16.480 -5.986 1.795 1.00 34.22 O ATOM 1205 CB ALA A 77 16.782 -8.836 3.293 1.00 42.34 C ATOM 0 H ALA A 77 14.533 -9.697 2.925 1.00 20.54 H new ATOM 0 HA ALA A 77 15.399 -7.191 3.621 1.00 24.12 H new ATOM 0 HB1 ALA A 77 17.690 -8.241 3.390 1.00 42.34 H new ATOM 0 HB2 ALA A 77 16.543 -9.293 4.253 1.00 42.34 H new ATOM 0 HB3 ALA A 77 16.937 -9.617 2.548 1.00 42.34 H new ATOM 1211 N PRO A 78 15.945 -7.639 0.367 1.00 51.23 N ATOM 1212 CA PRO A 78 16.299 -6.894 -0.845 1.00 54.05 C ATOM 1213 C PRO A 78 15.328 -5.751 -1.145 1.00 64.51 C ATOM 1214 O PRO A 78 15.652 -4.873 -1.939 1.00 55.44 O ATOM 1215 CB PRO A 78 16.303 -7.927 -1.984 1.00 4.35 C ATOM 1216 CG PRO A 78 15.350 -9.005 -1.475 1.00 64.44 C ATOM 1217 CD PRO A 78 15.661 -9.016 0.003 1.00 1.41 C ATOM 0 HA PRO A 78 17.270 -6.413 -0.723 1.00 54.05 H new ATOM 0 HB2 PRO A 78 15.958 -7.494 -2.923 1.00 4.35 H new ATOM 0 HB3 PRO A 78 17.302 -8.324 -2.165 1.00 4.35 H new ATOM 0 HG2 PRO A 78 14.307 -8.756 -1.672 1.00 64.44 H new ATOM 0 HG3 PRO A 78 15.540 -9.972 -1.940 1.00 64.44 H new ATOM 0 HD2 PRO A 78 14.818 -9.404 0.575 1.00 1.41 H new ATOM 0 HD3 PRO A 78 16.515 -9.659 0.216 1.00 1.41 H new ATOM 1225 N TYR A 79 14.155 -5.735 -0.509 1.00 60.41 N ATOM 1226 CA TYR A 79 13.077 -4.813 -0.829 1.00 44.22 C ATOM 1227 C TYR A 79 12.814 -3.827 0.314 1.00 52.50 C ATOM 1228 O TYR A 79 11.786 -3.145 0.356 1.00 4.23 O ATOM 1229 CB TYR A 79 11.844 -5.631 -1.212 1.00 70.42 C ATOM 1230 CG TYR A 79 11.968 -6.439 -2.495 1.00 64.13 C ATOM 1231 CD1 TYR A 79 12.739 -5.945 -3.564 1.00 2.12 C ATOM 1232 CD2 TYR A 79 11.265 -7.648 -2.665 1.00 70.20 C ATOM 1233 CE1 TYR A 79 12.793 -6.611 -4.788 1.00 51.34 C ATOM 1234 CE2 TYR A 79 11.346 -8.347 -3.880 1.00 15.53 C ATOM 1235 CZ TYR A 79 12.134 -7.853 -4.938 1.00 72.15 C ATOM 1236 OH TYR A 79 12.171 -8.557 -6.100 1.00 63.35 O ATOM 0 H TYR A 79 13.929 -6.374 0.253 1.00 60.41 H new ATOM 0 HA TYR A 79 13.358 -4.189 -1.678 1.00 44.22 H new ATOM 0 HB2 TYR A 79 11.614 -6.314 -0.394 1.00 70.42 H new ATOM 0 HB3 TYR A 79 10.996 -4.953 -1.310 1.00 70.42 H new ATOM 0 HD1 TYR A 79 13.300 -5.032 -3.434 1.00 2.12 H new ATOM 0 HD2 TYR A 79 10.662 -8.038 -1.858 1.00 70.20 H new ATOM 0 HE1 TYR A 79 13.335 -6.180 -5.617 1.00 51.34 H new ATOM 0 HE2 TYR A 79 10.800 -9.270 -4.004 1.00 15.53 H new ATOM 0 HH TYR A 79 11.656 -9.385 -5.998 1.00 63.35 H new ATOM 1246 N LYS A 80 13.732 -3.745 1.273 1.00 55.00 N ATOM 1247 CA LYS A 80 13.562 -2.954 2.488 1.00 42.22 C ATOM 1248 C LYS A 80 13.554 -1.468 2.213 1.00 34.10 C ATOM 1249 O LYS A 80 12.760 -0.750 2.822 1.00 52.15 O ATOM 1250 CB LYS A 80 14.715 -3.232 3.459 1.00 31.41 C ATOM 1251 CG LYS A 80 14.592 -4.587 4.144 1.00 74.33 C ATOM 1252 CD LYS A 80 13.465 -4.529 5.164 1.00 3.31 C ATOM 1253 CE LYS A 80 13.393 -5.841 5.918 1.00 44.01 C ATOM 1254 NZ LYS A 80 12.505 -5.689 7.077 1.00 4.20 N ATOM 0 H LYS A 80 14.627 -4.233 1.227 1.00 55.00 H new ATOM 0 HA LYS A 80 12.601 -3.244 2.912 1.00 42.22 H new ATOM 0 HB2 LYS A 80 15.660 -3.188 2.917 1.00 31.41 H new ATOM 0 HB3 LYS A 80 14.744 -2.448 4.216 1.00 31.41 H new ATOM 0 HG2 LYS A 80 14.392 -5.364 3.407 1.00 74.33 H new ATOM 0 HG3 LYS A 80 15.530 -4.847 4.635 1.00 74.33 H new ATOM 0 HD2 LYS A 80 13.633 -3.707 5.860 1.00 3.31 H new ATOM 0 HD3 LYS A 80 12.517 -4.334 4.663 1.00 3.31 H new ATOM 0 HE2 LYS A 80 13.023 -6.630 5.263 1.00 44.01 H new ATOM 0 HE3 LYS A 80 14.389 -6.140 6.246 1.00 44.01 H new ATOM 0 HZ1 LYS A 80 12.454 -6.589 7.596 1.00 4.20 H new ATOM 0 HZ2 LYS A 80 12.877 -4.948 7.705 1.00 4.20 H new ATOM 0 HZ3 LYS A 80 11.553 -5.422 6.753 1.00 4.20 H new ATOM 1268 N GLN A 81 14.480 -1.009 1.381 1.00 22.00 N ATOM 1269 CA GLN A 81 14.885 0.384 1.303 1.00 52.45 C ATOM 1270 C GLN A 81 14.465 0.999 -0.034 1.00 40.10 C ATOM 1271 O GLN A 81 14.928 2.089 -0.380 1.00 30.43 O ATOM 1272 CB GLN A 81 16.398 0.479 1.581 1.00 21.10 C ATOM 1273 CG GLN A 81 16.750 -0.020 2.991 1.00 73.13 C ATOM 1274 CD GLN A 81 18.112 0.489 3.435 1.00 43.32 C ATOM 1275 OE1 GLN A 81 18.204 1.532 4.080 1.00 40.41 O ATOM 1276 NE2 GLN A 81 19.181 -0.182 3.051 1.00 54.34 N ATOM 0 H GLN A 81 14.981 -1.611 0.727 1.00 22.00 H new ATOM 0 HA GLN A 81 14.375 0.974 2.065 1.00 52.45 H new ATOM 0 HB2 GLN A 81 16.941 -0.109 0.841 1.00 21.10 H new ATOM 0 HB3 GLN A 81 16.724 1.513 1.469 1.00 21.10 H new ATOM 0 HG2 GLN A 81 15.988 0.311 3.697 1.00 73.13 H new ATOM 0 HG3 GLN A 81 16.745 -1.110 3.005 1.00 73.13 H new ATOM 0 HE21 GLN A 81 19.077 -1.045 2.517 1.00 54.34 H new ATOM 0 HE22 GLN A 81 20.111 0.162 3.288 1.00 54.34 H new ATOM 1285 N LEU A 82 13.563 0.334 -0.768 1.00 24.33 N ATOM 1286 CA LEU A 82 13.138 0.705 -2.115 1.00 22.10 C ATOM 1287 C LEU A 82 12.628 2.136 -2.211 1.00 33.32 C ATOM 1288 O LEU A 82 12.832 2.777 -3.241 1.00 74.35 O ATOM 1289 CB LEU A 82 12.075 -0.252 -2.653 1.00 73.21 C ATOM 1290 CG LEU A 82 12.492 -1.720 -2.789 1.00 24.04 C ATOM 1291 CD1 LEU A 82 11.361 -2.450 -3.509 1.00 44.12 C ATOM 1292 CD2 LEU A 82 13.800 -1.975 -3.537 1.00 0.42 C ATOM 0 H LEU A 82 13.096 -0.505 -0.424 1.00 24.33 H new ATOM 0 HA LEU A 82 14.035 0.632 -2.730 1.00 22.10 H new ATOM 0 HB2 LEU A 82 11.206 -0.202 -1.997 1.00 73.21 H new ATOM 0 HB3 LEU A 82 11.756 0.106 -3.632 1.00 73.21 H new ATOM 0 HG LEU A 82 12.674 -2.083 -1.778 1.00 24.04 H new ATOM 0 HD11 LEU A 82 11.622 -3.502 -3.625 1.00 44.12 H new ATOM 0 HD12 LEU A 82 10.444 -2.366 -2.925 1.00 44.12 H new ATOM 0 HD13 LEU A 82 11.208 -2.004 -4.492 1.00 44.12 H new ATOM 0 HD21 LEU A 82 13.996 -3.047 -3.573 1.00 0.42 H new ATOM 0 HD22 LEU A 82 13.720 -1.587 -4.552 1.00 0.42 H new ATOM 0 HD23 LEU A 82 14.618 -1.474 -3.020 1.00 0.42 H new ATOM 1304 N LEU A 83 12.038 2.661 -1.129 1.00 33.23 N ATOM 1305 CA LEU A 83 11.644 4.064 -1.040 1.00 63.13 C ATOM 1306 C LEU A 83 12.781 5.010 -1.427 1.00 42.21 C ATOM 1307 O LEU A 83 12.499 6.082 -1.943 1.00 10.42 O ATOM 1308 CB LEU A 83 11.144 4.413 0.375 1.00 42.30 C ATOM 1309 CG LEU A 83 9.612 4.444 0.494 1.00 15.42 C ATOM 1310 CD1 LEU A 83 9.227 4.531 1.972 1.00 62.53 C ATOM 1311 CD2 LEU A 83 8.980 5.649 -0.216 1.00 61.11 C ATOM 0 H LEU A 83 11.822 2.120 -0.292 1.00 33.23 H new ATOM 0 HA LEU A 83 10.831 4.201 -1.753 1.00 63.13 H new ATOM 0 HB2 LEU A 83 11.541 3.684 1.082 1.00 42.30 H new ATOM 0 HB3 LEU A 83 11.543 5.386 0.663 1.00 42.30 H new ATOM 0 HG LEU A 83 9.243 3.534 0.022 1.00 15.42 H new ATOM 0 HD11 LEU A 83 8.141 4.553 2.064 1.00 62.53 H new ATOM 0 HD12 LEU A 83 9.618 3.662 2.502 1.00 62.53 H new ATOM 0 HD13 LEU A 83 9.647 5.439 2.404 1.00 62.53 H new ATOM 0 HD21 LEU A 83 7.897 5.615 -0.096 1.00 61.11 H new ATOM 0 HD22 LEU A 83 9.365 6.571 0.220 1.00 61.11 H new ATOM 0 HD23 LEU A 83 9.229 5.618 -1.277 1.00 61.11 H new ATOM 1323 N LYS A 84 14.047 4.648 -1.197 1.00 54.01 N ATOM 1324 CA LYS A 84 15.180 5.481 -1.587 1.00 61.11 C ATOM 1325 C LYS A 84 15.945 4.837 -2.731 1.00 52.12 C ATOM 1326 O LYS A 84 16.332 5.533 -3.662 1.00 33.32 O ATOM 1327 CB LYS A 84 16.106 5.842 -0.420 1.00 23.10 C ATOM 1328 CG LYS A 84 15.466 5.827 0.967 1.00 34.21 C ATOM 1329 CD LYS A 84 16.255 6.703 1.955 1.00 52.32 C ATOM 1330 CE LYS A 84 17.593 6.086 2.395 1.00 21.32 C ATOM 1331 NZ LYS A 84 18.692 7.073 2.480 1.00 52.30 N ATOM 0 H LYS A 84 14.310 3.776 -0.739 1.00 54.01 H new ATOM 0 HA LYS A 84 14.766 6.429 -1.931 1.00 61.11 H new ATOM 0 HB2 LYS A 84 16.946 5.147 -0.419 1.00 23.10 H new ATOM 0 HB3 LYS A 84 16.515 6.836 -0.600 1.00 23.10 H new ATOM 0 HG2 LYS A 84 14.439 6.185 0.900 1.00 34.21 H new ATOM 0 HG3 LYS A 84 15.423 4.803 1.339 1.00 34.21 H new ATOM 0 HD2 LYS A 84 16.446 7.673 1.495 1.00 52.32 H new ATOM 0 HD3 LYS A 84 15.641 6.884 2.837 1.00 52.32 H new ATOM 0 HE2 LYS A 84 17.464 5.611 3.368 1.00 21.32 H new ATOM 0 HE3 LYS A 84 17.872 5.301 1.692 1.00 21.32 H new ATOM 0 HZ1 LYS A 84 19.565 6.595 2.781 1.00 52.30 H new ATOM 0 HZ2 LYS A 84 18.840 7.509 1.548 1.00 52.30 H new ATOM 0 HZ3 LYS A 84 18.444 7.810 3.171 1.00 52.30 H new ATOM 1345 N GLU A 85 16.131 3.518 -2.681 1.00 5.13 N ATOM 1346 CA GLU A 85 16.895 2.788 -3.700 1.00 20.24 C ATOM 1347 C GLU A 85 16.340 3.046 -5.105 1.00 71.43 C ATOM 1348 O GLU A 85 17.106 3.315 -6.033 1.00 73.52 O ATOM 1349 CB GLU A 85 16.875 1.276 -3.439 1.00 61.35 C ATOM 1350 CG GLU A 85 17.631 0.823 -2.188 1.00 42.55 C ATOM 1351 CD GLU A 85 17.449 -0.678 -1.944 1.00 64.34 C ATOM 1352 OE1 GLU A 85 16.454 -1.084 -1.311 1.00 1.33 O ATOM 1353 OE2 GLU A 85 18.355 -1.454 -2.327 1.00 23.14 O ATOM 0 H GLU A 85 15.760 2.926 -1.938 1.00 5.13 H new ATOM 0 HA GLU A 85 17.920 3.154 -3.640 1.00 20.24 H new ATOM 0 HB2 GLU A 85 15.838 0.951 -3.355 1.00 61.35 H new ATOM 0 HB3 GLU A 85 17.299 0.768 -4.305 1.00 61.35 H new ATOM 0 HG2 GLU A 85 18.691 1.050 -2.298 1.00 42.55 H new ATOM 0 HG3 GLU A 85 17.274 1.381 -1.322 1.00 42.55 H new ATOM 1360 N GLU A 86 15.018 2.944 -5.258 1.00 35.23 N ATOM 1361 CA GLU A 86 14.325 3.063 -6.533 1.00 23.13 C ATOM 1362 C GLU A 86 13.940 4.533 -6.723 1.00 31.42 C ATOM 1363 O GLU A 86 14.324 5.162 -7.705 1.00 54.43 O ATOM 1364 CB GLU A 86 13.072 2.168 -6.564 1.00 4.05 C ATOM 1365 CG GLU A 86 13.264 0.729 -6.056 1.00 13.43 C ATOM 1366 CD GLU A 86 14.001 -0.202 -7.006 1.00 62.21 C ATOM 1367 OE1 GLU A 86 13.421 -0.568 -8.054 1.00 63.24 O ATOM 1368 OE2 GLU A 86 15.093 -0.696 -6.668 1.00 74.24 O ATOM 0 H GLU A 86 14.387 2.772 -4.475 1.00 35.23 H new ATOM 0 HA GLU A 86 14.977 2.734 -7.342 1.00 23.13 H new ATOM 0 HB2 GLU A 86 12.294 2.643 -5.966 1.00 4.05 H new ATOM 0 HB3 GLU A 86 12.705 2.125 -7.589 1.00 4.05 H new ATOM 0 HG2 GLU A 86 13.808 0.764 -5.112 1.00 13.43 H new ATOM 0 HG3 GLU A 86 12.284 0.302 -5.843 1.00 13.43 H new ATOM 1375 N LEU A 87 13.169 5.085 -5.776 1.00 63.44 N ATOM 1376 CA LEU A 87 12.489 6.367 -5.960 1.00 0.10 C ATOM 1377 C LEU A 87 13.362 7.557 -5.573 1.00 20.33 C ATOM 1378 O LEU A 87 13.122 8.667 -6.045 1.00 30.43 O ATOM 1379 CB LEU A 87 11.214 6.438 -5.107 1.00 0.21 C ATOM 1380 CG LEU A 87 10.224 5.276 -5.257 1.00 42.33 C ATOM 1381 CD1 LEU A 87 9.078 5.492 -4.271 1.00 1.35 C ATOM 1382 CD2 LEU A 87 9.692 5.172 -6.681 1.00 74.14 C ATOM 0 H LEU A 87 13.002 4.655 -4.866 1.00 63.44 H new ATOM 0 HA LEU A 87 12.254 6.424 -7.023 1.00 0.10 H new ATOM 0 HB2 LEU A 87 11.508 6.503 -4.059 1.00 0.21 H new ATOM 0 HB3 LEU A 87 10.692 7.364 -5.350 1.00 0.21 H new ATOM 0 HG LEU A 87 10.737 4.339 -5.041 1.00 42.33 H new ATOM 0 HD11 LEU A 87 8.362 4.676 -4.361 1.00 1.35 H new ATOM 0 HD12 LEU A 87 9.472 5.518 -3.255 1.00 1.35 H new ATOM 0 HD13 LEU A 87 8.581 6.437 -4.492 1.00 1.35 H new ATOM 0 HD21 LEU A 87 8.994 4.338 -6.749 1.00 74.14 H new ATOM 0 HD22 LEU A 87 9.179 6.097 -6.946 1.00 74.14 H new ATOM 0 HD23 LEU A 87 10.522 5.007 -7.368 1.00 74.14 H new ATOM 1394 N GLY A 88 14.334 7.367 -4.681 1.00 10.32 N ATOM 1395 CA GLY A 88 15.093 8.460 -4.089 1.00 42.34 C ATOM 1396 C GLY A 88 14.227 9.351 -3.198 1.00 22.44 C ATOM 1397 O GLY A 88 14.432 10.562 -3.188 1.00 54.22 O ATOM 0 H GLY A 88 14.616 6.444 -4.349 1.00 10.32 H new ATOM 0 HA2 GLY A 88 15.915 8.052 -3.501 1.00 42.34 H new ATOM 0 HA3 GLY A 88 15.536 9.063 -4.882 1.00 42.34 H new ATOM 1401 N PHE A 89 13.229 8.807 -2.491 1.00 55.32 N ATOM 1402 CA PHE A 89 12.628 9.499 -1.351 1.00 52.00 C ATOM 1403 C PHE A 89 13.559 9.368 -0.141 1.00 44.14 C ATOM 1404 O PHE A 89 14.504 8.576 -0.159 1.00 55.43 O ATOM 1405 CB PHE A 89 11.223 8.934 -1.068 1.00 41.44 C ATOM 1406 CG PHE A 89 10.422 9.644 0.010 1.00 31.31 C ATOM 1407 CD1 PHE A 89 9.898 10.928 -0.225 1.00 3.10 C ATOM 1408 CD2 PHE A 89 10.176 9.012 1.246 1.00 5.53 C ATOM 1409 CE1 PHE A 89 9.122 11.569 0.755 1.00 34.00 C ATOM 1410 CE2 PHE A 89 9.381 9.644 2.218 1.00 31.43 C ATOM 1411 CZ PHE A 89 8.851 10.922 1.972 1.00 71.13 C ATOM 0 H PHE A 89 12.824 7.892 -2.690 1.00 55.32 H new ATOM 0 HA PHE A 89 12.506 10.559 -1.573 1.00 52.00 H new ATOM 0 HB2 PHE A 89 10.650 8.960 -1.995 1.00 41.44 H new ATOM 0 HB3 PHE A 89 11.325 7.886 -0.786 1.00 41.44 H new ATOM 0 HD1 PHE A 89 10.093 11.424 -1.164 1.00 3.10 H new ATOM 0 HD2 PHE A 89 10.600 8.039 1.447 1.00 5.53 H new ATOM 0 HE1 PHE A 89 8.733 12.560 0.573 1.00 34.00 H new ATOM 0 HE2 PHE A 89 9.177 9.147 3.155 1.00 31.43 H new ATOM 0 HZ PHE A 89 8.237 11.406 2.717 1.00 71.13 H new ATOM 1567 N ARG A 100 -0.833 11.652 8.357 1.00 51.14 N ATOM 1568 CA ARG A 100 -1.372 10.980 7.168 1.00 30.13 C ATOM 1569 C ARG A 100 -0.217 10.569 6.255 1.00 53.04 C ATOM 1570 O ARG A 100 -0.010 9.393 5.977 1.00 65.20 O ATOM 1571 CB ARG A 100 -2.431 11.864 6.482 1.00 20.23 C ATOM 1572 CG ARG A 100 -3.720 11.899 7.324 1.00 14.44 C ATOM 1573 CD ARG A 100 -4.738 12.923 6.799 1.00 43.24 C ATOM 1574 NE ARG A 100 -5.961 12.996 7.627 1.00 54.40 N ATOM 1575 CZ ARG A 100 -6.070 13.439 8.889 1.00 72.31 C ATOM 1576 NH1 ARG A 100 -5.015 13.902 9.548 1.00 24.41 N ATOM 1577 NH2 ARG A 100 -7.231 13.403 9.529 1.00 73.31 N ATOM 0 HA ARG A 100 -1.894 10.065 7.447 1.00 30.13 H new ATOM 0 HB2 ARG A 100 -2.044 12.875 6.354 1.00 20.23 H new ATOM 0 HB3 ARG A 100 -2.649 11.477 5.486 1.00 20.23 H new ATOM 0 HG2 ARG A 100 -4.175 10.908 7.328 1.00 14.44 H new ATOM 0 HG3 ARG A 100 -3.469 12.138 8.357 1.00 14.44 H new ATOM 0 HD2 ARG A 100 -4.270 13.907 6.763 1.00 43.24 H new ATOM 0 HD3 ARG A 100 -5.013 12.663 5.777 1.00 43.24 H new ATOM 0 HE ARG A 100 -6.822 12.672 7.188 1.00 54.40 H new ATOM 0 HH11 ARG A 100 -4.101 13.925 9.096 1.00 24.41 H new ATOM 0 HH12 ARG A 100 -5.118 14.234 10.507 1.00 24.41 H new ATOM 0 HH21 ARG A 100 -8.060 13.034 9.062 1.00 73.31 H new ATOM 0 HH22 ARG A 100 -7.295 13.744 10.488 1.00 73.31 H new ATOM 1591 N LYS A 101 0.586 11.541 5.828 1.00 51.15 N ATOM 1592 CA LYS A 101 1.721 11.360 4.926 1.00 53.21 C ATOM 1593 C LYS A 101 2.698 10.306 5.424 1.00 11.42 C ATOM 1594 O LYS A 101 3.057 9.423 4.648 1.00 21.30 O ATOM 1595 CB LYS A 101 2.431 12.704 4.724 1.00 4.53 C ATOM 1596 CG LYS A 101 1.790 13.525 3.605 1.00 30.34 C ATOM 1597 CD LYS A 101 2.513 14.867 3.508 1.00 2.11 C ATOM 1598 CE LYS A 101 2.160 15.599 2.227 1.00 20.45 C ATOM 1599 NZ LYS A 101 3.064 15.278 1.094 1.00 44.34 N ATOM 0 H LYS A 101 0.459 12.513 6.111 1.00 51.15 H new ATOM 0 HA LYS A 101 1.336 10.999 3.972 1.00 53.21 H new ATOM 0 HB2 LYS A 101 2.403 13.273 5.653 1.00 4.53 H new ATOM 0 HB3 LYS A 101 3.481 12.528 4.490 1.00 4.53 H new ATOM 0 HG2 LYS A 101 1.857 12.990 2.658 1.00 30.34 H new ATOM 0 HG3 LYS A 101 0.731 13.680 3.809 1.00 30.34 H new ATOM 0 HD2 LYS A 101 2.250 15.486 4.366 1.00 2.11 H new ATOM 0 HD3 LYS A 101 3.590 14.705 3.550 1.00 2.11 H new ATOM 0 HE2 LYS A 101 1.136 15.351 1.946 1.00 20.45 H new ATOM 0 HE3 LYS A 101 2.189 16.673 2.412 1.00 20.45 H new ATOM 0 HZ1 LYS A 101 2.854 15.908 0.293 1.00 44.34 H new ATOM 0 HZ2 LYS A 101 4.052 15.411 1.390 1.00 44.34 H new ATOM 0 HZ3 LYS A 101 2.920 14.290 0.804 1.00 44.34 H new ATOM 1613 N THR A 102 3.137 10.412 6.678 1.00 42.50 N ATOM 1614 CA THR A 102 4.161 9.544 7.252 1.00 41.40 C ATOM 1615 C THR A 102 3.819 8.076 7.029 1.00 61.44 C ATOM 1616 O THR A 102 4.526 7.376 6.308 1.00 41.40 O ATOM 1617 CB THR A 102 4.351 9.861 8.744 1.00 11.13 C ATOM 1618 OG1 THR A 102 3.110 10.082 9.388 1.00 13.10 O ATOM 1619 CG2 THR A 102 5.211 11.106 8.928 1.00 25.22 C ATOM 0 H THR A 102 2.786 11.113 7.331 1.00 42.50 H new ATOM 0 HA THR A 102 5.106 9.736 6.744 1.00 41.40 H new ATOM 0 HB THR A 102 4.843 8.996 9.189 1.00 11.13 H new ATOM 0 HG1 THR A 102 3.264 10.279 10.336 1.00 13.10 H new ATOM 0 HG21 THR A 102 5.332 11.311 9.992 1.00 25.22 H new ATOM 0 HG22 THR A 102 6.190 10.942 8.477 1.00 25.22 H new ATOM 0 HG23 THR A 102 4.728 11.956 8.447 1.00 25.22 H new ATOM 1627 N ARG A 103 2.720 7.608 7.615 1.00 32.45 N ATOM 1628 CA ARG A 103 2.366 6.193 7.576 1.00 42.20 C ATOM 1629 C ARG A 103 2.051 5.696 6.161 1.00 4.44 C ATOM 1630 O ARG A 103 2.370 4.549 5.853 1.00 40.35 O ATOM 1631 CB ARG A 103 1.238 5.938 8.574 1.00 53.34 C ATOM 1632 CG ARG A 103 -0.081 6.590 8.137 1.00 21.30 C ATOM 1633 CD ARG A 103 -1.150 6.411 9.203 1.00 5.21 C ATOM 1634 NE ARG A 103 -0.947 7.388 10.272 1.00 53.10 N ATOM 1635 CZ ARG A 103 -0.320 7.230 11.435 1.00 75.05 C ATOM 1636 NH1 ARG A 103 -0.218 6.038 12.003 1.00 52.05 N ATOM 1637 NH2 ARG A 103 0.215 8.299 12.007 1.00 23.25 N ATOM 0 H ARG A 103 2.057 8.192 8.125 1.00 32.45 H new ATOM 0 HA ARG A 103 3.232 5.602 7.876 1.00 42.20 H new ATOM 0 HB2 ARG A 103 1.091 4.864 8.686 1.00 53.34 H new ATOM 0 HB3 ARG A 103 1.526 6.324 9.552 1.00 53.34 H new ATOM 0 HG2 ARG A 103 0.078 7.652 7.949 1.00 21.30 H new ATOM 0 HG3 ARG A 103 -0.418 6.147 7.200 1.00 21.30 H new ATOM 0 HD2 ARG A 103 -2.140 6.538 8.764 1.00 5.21 H new ATOM 0 HD3 ARG A 103 -1.108 5.400 9.608 1.00 5.21 H new ATOM 0 HE ARG A 103 -1.338 8.315 10.104 1.00 53.10 H new ATOM 0 HH11 ARG A 103 -0.624 5.220 11.549 1.00 52.05 H new ATOM 0 HH12 ARG A 103 0.267 5.938 12.895 1.00 52.05 H new ATOM 0 HH21 ARG A 103 0.140 9.211 11.556 1.00 23.25 H new ATOM 0 HH22 ARG A 103 0.702 8.210 12.899 1.00 23.25 H new ATOM 1651 N ARG A 104 1.540 6.553 5.263 1.00 4.24 N ATOM 1652 CA ARG A 104 1.368 6.171 3.861 1.00 52.03 C ATOM 1653 C ARG A 104 2.688 5.697 3.253 1.00 52.24 C ATOM 1654 O ARG A 104 2.662 4.791 2.425 1.00 20.12 O ATOM 1655 CB ARG A 104 0.819 7.326 3.019 1.00 60.03 C ATOM 1656 CG ARG A 104 -0.655 7.708 3.235 1.00 1.24 C ATOM 1657 CD ARG A 104 -0.866 9.046 2.514 1.00 2.30 C ATOM 1658 NE ARG A 104 -2.186 9.662 2.724 1.00 0.22 N ATOM 1659 CZ ARG A 104 -2.423 10.973 2.546 1.00 32.24 C ATOM 1660 NH1 ARG A 104 -1.439 11.781 2.167 1.00 72.40 N ATOM 1661 NH2 ARG A 104 -3.628 11.480 2.764 1.00 22.51 N ATOM 0 H ARG A 104 1.243 7.504 5.483 1.00 4.24 H new ATOM 0 HA ARG A 104 0.647 5.354 3.849 1.00 52.03 H new ATOM 0 HB2 ARG A 104 1.430 8.208 3.214 1.00 60.03 H new ATOM 0 HB3 ARG A 104 0.953 7.072 1.967 1.00 60.03 H new ATOM 0 HG2 ARG A 104 -1.318 6.942 2.833 1.00 1.24 H new ATOM 0 HG3 ARG A 104 -0.881 7.799 4.297 1.00 1.24 H new ATOM 0 HD2 ARG A 104 -0.098 9.745 2.845 1.00 2.30 H new ATOM 0 HD3 ARG A 104 -0.719 8.893 1.445 1.00 2.30 H new ATOM 0 HE ARG A 104 -2.959 9.065 3.019 1.00 0.22 H new ATOM 0 HH11 ARG A 104 -0.503 11.407 2.011 1.00 72.40 H new ATOM 0 HH12 ARG A 104 -1.619 12.776 2.032 1.00 72.40 H new ATOM 0 HH21 ARG A 104 -4.389 10.874 3.071 1.00 22.51 H new ATOM 0 HH22 ARG A 104 -3.795 12.477 2.625 1.00 22.51 H new ATOM 1675 N ALA A 105 3.836 6.256 3.660 1.00 51.23 N ATOM 1676 CA ALA A 105 5.141 5.819 3.165 1.00 55.34 C ATOM 1677 C ALA A 105 5.343 4.307 3.383 1.00 15.05 C ATOM 1678 O ALA A 105 5.912 3.631 2.523 1.00 61.40 O ATOM 1679 CB ALA A 105 6.270 6.647 3.808 1.00 70.51 C ATOM 0 H ALA A 105 3.883 7.018 4.337 1.00 51.23 H new ATOM 0 HA ALA A 105 5.175 5.993 2.089 1.00 55.34 H new ATOM 0 HB1 ALA A 105 7.233 6.307 3.427 1.00 70.51 H new ATOM 0 HB2 ALA A 105 6.134 7.700 3.562 1.00 70.51 H new ATOM 0 HB3 ALA A 105 6.243 6.521 4.890 1.00 70.51 H new ATOM 1685 N THR A 106 4.832 3.744 4.486 1.00 41.11 N ATOM 1686 CA THR A 106 4.902 2.312 4.753 1.00 4.22 C ATOM 1687 C THR A 106 4.208 1.508 3.640 1.00 62.21 C ATOM 1688 O THR A 106 4.706 0.457 3.226 1.00 41.13 O ATOM 1689 CB THR A 106 4.263 1.999 6.121 1.00 55.31 C ATOM 1690 OG1 THR A 106 4.559 2.952 7.133 1.00 4.24 O ATOM 1691 CG2 THR A 106 4.723 0.636 6.633 1.00 41.44 C ATOM 0 H THR A 106 4.358 4.275 5.217 1.00 41.11 H new ATOM 0 HA THR A 106 5.951 2.018 4.775 1.00 4.22 H new ATOM 0 HB THR A 106 3.189 2.021 5.935 1.00 55.31 H new ATOM 0 HG1 THR A 106 3.928 3.699 7.073 1.00 4.24 H new ATOM 0 HG21 THR A 106 4.260 0.435 7.599 1.00 41.44 H new ATOM 0 HG22 THR A 106 4.430 -0.137 5.923 1.00 41.44 H new ATOM 0 HG23 THR A 106 5.807 0.636 6.743 1.00 41.44 H new ATOM 1699 N MET A 107 3.054 1.978 3.161 1.00 71.25 N ATOM 1700 CA MET A 107 2.319 1.352 2.067 1.00 72.14 C ATOM 1701 C MET A 107 3.036 1.566 0.743 1.00 65.22 C ATOM 1702 O MET A 107 3.067 0.642 -0.065 1.00 24.14 O ATOM 1703 CB MET A 107 0.910 1.935 1.968 1.00 45.32 C ATOM 1704 CG MET A 107 0.065 1.585 3.194 1.00 63.13 C ATOM 1705 SD MET A 107 -0.971 2.960 3.714 1.00 20.40 S ATOM 1706 CE MET A 107 -2.266 2.969 2.456 1.00 12.33 C ATOM 0 H MET A 107 2.601 2.815 3.529 1.00 71.25 H new ATOM 0 HA MET A 107 2.259 0.284 2.275 1.00 72.14 H new ATOM 0 HB2 MET A 107 0.971 3.018 1.865 1.00 45.32 H new ATOM 0 HB3 MET A 107 0.422 1.557 1.070 1.00 45.32 H new ATOM 0 HG2 MET A 107 -0.563 0.723 2.967 1.00 63.13 H new ATOM 0 HG3 MET A 107 0.720 1.294 4.015 1.00 63.13 H new ATOM 0 HE1 MET A 107 -2.821 3.905 2.512 1.00 12.33 H new ATOM 0 HE2 MET A 107 -1.815 2.873 1.468 1.00 12.33 H new ATOM 0 HE3 MET A 107 -2.945 2.134 2.627 1.00 12.33 H new ATOM 1716 N THR A 108 3.644 2.734 0.517 1.00 13.43 N ATOM 1717 CA THR A 108 4.420 2.972 -0.688 1.00 24.45 C ATOM 1718 C THR A 108 5.497 1.890 -0.814 1.00 31.03 C ATOM 1719 O THR A 108 5.540 1.214 -1.840 1.00 31.50 O ATOM 1720 CB THR A 108 5.006 4.393 -0.693 1.00 13.42 C ATOM 1721 OG1 THR A 108 4.039 5.345 -0.286 1.00 44.34 O ATOM 1722 CG2 THR A 108 5.481 4.757 -2.098 1.00 53.43 C ATOM 0 H THR A 108 3.609 3.526 1.158 1.00 13.43 H new ATOM 0 HA THR A 108 3.773 2.908 -1.563 1.00 24.45 H new ATOM 0 HB THR A 108 5.842 4.409 0.006 1.00 13.42 H new ATOM 0 HG1 THR A 108 4.309 6.236 -0.590 1.00 44.34 H new ATOM 0 HG21 THR A 108 5.895 5.765 -2.092 1.00 53.43 H new ATOM 0 HG22 THR A 108 6.248 4.052 -2.417 1.00 53.43 H new ATOM 0 HG23 THR A 108 4.639 4.714 -2.789 1.00 53.43 H new ATOM 1730 N ASN A 109 6.314 1.662 0.228 1.00 20.04 N ATOM 1731 CA ASN A 109 7.379 0.653 0.167 1.00 21.31 C ATOM 1732 C ASN A 109 6.824 -0.755 -0.065 1.00 14.42 C ATOM 1733 O ASN A 109 7.496 -1.560 -0.700 1.00 41.23 O ATOM 1734 CB ASN A 109 8.288 0.693 1.401 1.00 33.33 C ATOM 1735 CG ASN A 109 9.686 0.130 1.119 1.00 44.23 C ATOM 1736 OD1 ASN A 109 10.670 0.860 1.203 1.00 4.21 O ATOM 1737 ND2 ASN A 109 9.815 -1.150 0.822 1.00 43.44 N ATOM 0 H ASN A 109 6.256 2.160 1.116 1.00 20.04 H new ATOM 0 HA ASN A 109 7.994 0.909 -0.696 1.00 21.31 H new ATOM 0 HB2 ASN A 109 8.378 1.722 1.749 1.00 33.33 H new ATOM 0 HB3 ASN A 109 7.826 0.123 2.207 1.00 33.33 H new ATOM 0 HD21 ASN A 109 10.741 -1.545 0.659 1.00 43.44 H new ATOM 0 HD22 ASN A 109 8.988 -1.744 0.756 1.00 43.44 H new ATOM 1744 N TRP A 110 5.613 -1.073 0.406 1.00 32.42 N ATOM 1745 CA TRP A 110 4.980 -2.339 0.046 1.00 73.41 C ATOM 1746 C TRP A 110 4.659 -2.379 -1.447 1.00 0.34 C ATOM 1747 O TRP A 110 4.889 -3.404 -2.078 1.00 75.53 O ATOM 1748 CB TRP A 110 3.703 -2.584 0.861 1.00 20.44 C ATOM 1749 CG TRP A 110 3.001 -3.883 0.568 1.00 41.11 C ATOM 1750 CD1 TRP A 110 3.134 -5.032 1.258 1.00 1.14 C ATOM 1751 CD2 TRP A 110 2.007 -4.175 -0.457 1.00 24.31 C ATOM 1752 NE1 TRP A 110 2.323 -6.016 0.720 1.00 73.03 N ATOM 1753 CE2 TRP A 110 1.603 -5.539 -0.356 1.00 10.32 C ATOM 1754 CE3 TRP A 110 1.386 -3.398 -1.445 1.00 44.22 C ATOM 1755 CZ2 TRP A 110 0.658 -6.106 -1.229 1.00 11.11 C ATOM 1756 CZ3 TRP A 110 0.458 -3.952 -2.338 1.00 22.30 C ATOM 1757 CH2 TRP A 110 0.107 -5.309 -2.249 1.00 41.42 C ATOM 0 H TRP A 110 5.062 -0.480 1.027 1.00 32.42 H new ATOM 0 HA TRP A 110 5.690 -3.133 0.279 1.00 73.41 H new ATOM 0 HB2 TRP A 110 3.955 -2.556 1.921 1.00 20.44 H new ATOM 0 HB3 TRP A 110 3.009 -1.764 0.677 1.00 20.44 H new ATOM 0 HD1 TRP A 110 3.782 -5.167 2.111 1.00 1.14 H new ATOM 0 HE1 TRP A 110 2.265 -6.971 1.073 1.00 73.03 H new ATOM 0 HE3 TRP A 110 1.628 -2.348 -1.520 1.00 44.22 H new ATOM 0 HZ2 TRP A 110 0.360 -7.138 -1.118 1.00 11.11 H new ATOM 0 HZ3 TRP A 110 0.010 -3.331 -3.100 1.00 22.30 H new ATOM 0 HH2 TRP A 110 -0.583 -5.739 -2.960 1.00 41.42 H new ATOM 1768 N LEU A 111 4.141 -1.288 -2.021 1.00 55.22 N ATOM 1769 CA LEU A 111 3.571 -1.305 -3.368 1.00 41.03 C ATOM 1770 C LEU A 111 4.700 -1.549 -4.355 1.00 61.21 C ATOM 1771 O LEU A 111 4.635 -2.420 -5.224 1.00 53.24 O ATOM 1772 CB LEU A 111 2.829 0.021 -3.670 1.00 1.24 C ATOM 1773 CG LEU A 111 1.353 0.007 -3.219 1.00 4.22 C ATOM 1774 CD1 LEU A 111 0.730 1.400 -3.073 1.00 34.24 C ATOM 1775 CD2 LEU A 111 0.503 -0.788 -4.217 1.00 11.04 C ATOM 0 H LEU A 111 4.106 -0.375 -1.567 1.00 55.22 H new ATOM 0 HA LEU A 111 2.833 -2.103 -3.454 1.00 41.03 H new ATOM 0 HB2 LEU A 111 3.347 0.841 -3.172 1.00 1.24 H new ATOM 0 HB3 LEU A 111 2.873 0.219 -4.741 1.00 1.24 H new ATOM 0 HG LEU A 111 1.358 -0.457 -2.233 1.00 4.22 H new ATOM 0 HD11 LEU A 111 -0.308 1.303 -2.753 1.00 34.24 H new ATOM 0 HD12 LEU A 111 1.287 1.972 -2.330 1.00 34.24 H new ATOM 0 HD13 LEU A 111 0.767 1.918 -4.032 1.00 34.24 H new ATOM 0 HD21 LEU A 111 -0.536 -0.791 -3.888 1.00 11.04 H new ATOM 0 HD22 LEU A 111 0.571 -0.326 -5.202 1.00 11.04 H new ATOM 0 HD23 LEU A 111 0.869 -1.813 -4.271 1.00 11.04 H new ATOM 1787 N LEU A 112 5.769 -0.787 -4.167 1.00 61.02 N ATOM 1788 CA LEU A 112 6.897 -0.726 -5.072 1.00 32.14 C ATOM 1789 C LEU A 112 7.842 -1.917 -4.911 1.00 4.42 C ATOM 1790 O LEU A 112 8.656 -2.125 -5.803 1.00 31.41 O ATOM 1791 CB LEU A 112 7.511 0.662 -4.943 1.00 22.33 C ATOM 1792 CG LEU A 112 8.833 0.834 -4.190 1.00 30.15 C ATOM 1793 CD1 LEU A 112 9.837 1.317 -5.221 1.00 73.43 C ATOM 1794 CD2 LEU A 112 8.658 1.858 -3.070 1.00 31.33 C ATOM 0 H LEU A 112 5.873 -0.178 -3.355 1.00 61.02 H new ATOM 0 HA LEU A 112 6.589 -0.841 -6.111 1.00 32.14 H new ATOM 0 HB2 LEU A 112 7.656 1.050 -5.951 1.00 22.33 H new ATOM 0 HB3 LEU A 112 6.773 1.302 -4.459 1.00 22.33 H new ATOM 0 HG LEU A 112 9.168 -0.094 -3.726 1.00 30.15 H new ATOM 0 HD11 LEU A 112 10.807 1.460 -4.745 1.00 73.43 H new ATOM 0 HD12 LEU A 112 9.928 0.576 -6.015 1.00 73.43 H new ATOM 0 HD13 LEU A 112 9.498 2.262 -5.644 1.00 73.43 H new ATOM 0 HD21 LEU A 112 9.601 1.978 -2.536 1.00 31.33 H new ATOM 0 HD22 LEU A 112 8.358 2.815 -3.496 1.00 31.33 H new ATOM 0 HD23 LEU A 112 7.890 1.512 -2.378 1.00 31.33 H new ATOM 1806 N ALA A 113 7.696 -2.705 -3.837 1.00 3.55 N ATOM 1807 CA ALA A 113 8.340 -4.007 -3.600 1.00 61.03 C ATOM 1808 C ALA A 113 7.487 -5.187 -4.052 1.00 43.04 C ATOM 1809 O ALA A 113 8.038 -6.190 -4.499 1.00 62.11 O ATOM 1810 CB ALA A 113 8.539 -4.197 -2.090 1.00 11.31 C ATOM 0 H ALA A 113 7.089 -2.435 -3.063 1.00 3.55 H new ATOM 0 HA ALA A 113 9.272 -3.993 -4.165 1.00 61.03 H new ATOM 0 HB1 ALA A 113 9.016 -5.159 -1.904 1.00 11.31 H new ATOM 0 HB2 ALA A 113 9.171 -3.398 -1.703 1.00 11.31 H new ATOM 0 HB3 ALA A 113 7.571 -4.169 -1.589 1.00 11.31 H new ATOM 1816 N TYR A 114 6.166 -5.128 -3.886 1.00 1.45 N ATOM 1817 CA TYR A 114 5.264 -6.207 -4.272 1.00 4.22 C ATOM 1818 C TYR A 114 5.475 -6.499 -5.757 1.00 2.33 C ATOM 1819 O TYR A 114 5.801 -7.622 -6.139 1.00 12.33 O ATOM 1820 CB TYR A 114 3.817 -5.809 -3.940 1.00 65.43 C ATOM 1821 CG TYR A 114 2.774 -6.641 -4.654 1.00 24.41 C ATOM 1822 CD1 TYR A 114 2.707 -8.035 -4.459 1.00 73.31 C ATOM 1823 CD2 TYR A 114 1.936 -6.023 -5.598 1.00 71.32 C ATOM 1824 CE1 TYR A 114 1.794 -8.807 -5.197 1.00 74.52 C ATOM 1825 CE2 TYR A 114 1.022 -6.784 -6.337 1.00 21.51 C ATOM 1826 CZ TYR A 114 0.961 -8.181 -6.149 1.00 12.04 C ATOM 1827 OH TYR A 114 0.170 -8.927 -6.961 1.00 52.02 O ATOM 0 H TYR A 114 5.691 -4.324 -3.477 1.00 1.45 H new ATOM 0 HA TYR A 114 5.473 -7.121 -3.716 1.00 4.22 H new ATOM 0 HB2 TYR A 114 3.664 -5.897 -2.864 1.00 65.43 H new ATOM 0 HB3 TYR A 114 3.670 -4.760 -4.198 1.00 65.43 H new ATOM 0 HD1 TYR A 114 3.359 -8.511 -3.741 1.00 73.31 H new ATOM 0 HD2 TYR A 114 1.997 -4.956 -5.754 1.00 71.32 H new ATOM 0 HE1 TYR A 114 1.730 -9.873 -5.037 1.00 74.52 H new ATOM 0 HE2 TYR A 114 0.366 -6.304 -7.048 1.00 21.51 H new ATOM 0 HH TYR A 114 0.653 -9.135 -7.788 1.00 52.02 H new ATOM 1837 N ARG A 115 5.414 -5.446 -6.574 1.00 33.30 N ATOM 1838 CA ARG A 115 5.635 -5.526 -8.010 1.00 54.23 C ATOM 1839 C ARG A 115 6.971 -6.145 -8.404 1.00 3.42 C ATOM 1840 O ARG A 115 7.075 -6.681 -9.502 1.00 20.22 O ATOM 1841 CB ARG A 115 5.497 -4.126 -8.623 1.00 34.34 C ATOM 1842 CG ARG A 115 6.564 -3.152 -8.097 1.00 32.14 C ATOM 1843 CD ARG A 115 6.566 -1.785 -8.773 1.00 4.35 C ATOM 1844 NE ARG A 115 7.872 -1.149 -8.543 1.00 72.22 N ATOM 1845 CZ ARG A 115 8.751 -0.761 -9.470 1.00 13.10 C ATOM 1846 NH1 ARG A 115 8.438 -0.759 -10.761 1.00 63.53 N ATOM 1847 NH2 ARG A 115 9.968 -0.426 -9.082 1.00 4.23 N ATOM 0 H ARG A 115 5.206 -4.502 -6.247 1.00 33.30 H new ATOM 0 HA ARG A 115 4.874 -6.199 -8.404 1.00 54.23 H new ATOM 0 HB2 ARG A 115 5.576 -4.197 -9.708 1.00 34.34 H new ATOM 0 HB3 ARG A 115 4.506 -3.730 -8.401 1.00 34.34 H new ATOM 0 HG2 ARG A 115 6.414 -3.013 -7.026 1.00 32.14 H new ATOM 0 HG3 ARG A 115 7.546 -3.607 -8.224 1.00 32.14 H new ATOM 0 HD2 ARG A 115 6.380 -1.891 -9.842 1.00 4.35 H new ATOM 0 HD3 ARG A 115 5.766 -1.163 -8.371 1.00 4.35 H new ATOM 0 HE ARG A 115 8.134 -0.987 -7.571 1.00 72.22 H new ATOM 0 HH11 ARG A 115 7.510 -1.058 -11.061 1.00 63.53 H new ATOM 0 HH12 ARG A 115 9.125 -0.458 -11.452 1.00 63.53 H new ATOM 0 HH21 ARG A 115 10.218 -0.467 -8.094 1.00 4.23 H new ATOM 0 HH22 ARG A 115 10.658 -0.126 -9.770 1.00 4.23 H new ATOM 1861 N ARG A 116 8.026 -6.033 -7.590 1.00 34.12 N ATOM 1862 CA ARG A 116 9.361 -6.506 -7.968 1.00 11.31 C ATOM 1863 C ARG A 116 9.339 -8.029 -8.121 1.00 44.25 C ATOM 1864 O ARG A 116 10.003 -8.585 -8.992 1.00 33.34 O ATOM 1865 CB ARG A 116 10.386 -6.064 -6.914 1.00 50.43 C ATOM 1866 CG ARG A 116 10.551 -4.560 -6.706 1.00 43.34 C ATOM 1867 CD ARG A 116 11.076 -3.779 -7.921 1.00 2.30 C ATOM 1868 NE ARG A 116 12.452 -3.266 -7.783 1.00 0.12 N ATOM 1869 CZ ARG A 116 13.595 -3.941 -7.935 1.00 63.15 C ATOM 1870 NH1 ARG A 116 13.589 -5.226 -8.250 1.00 30.52 N ATOM 1871 NH2 ARG A 116 14.751 -3.317 -7.767 1.00 21.13 N ATOM 0 H ARG A 116 7.980 -5.616 -6.660 1.00 34.12 H new ATOM 0 HA ARG A 116 9.652 -6.071 -8.924 1.00 11.31 H new ATOM 0 HB2 ARG A 116 10.107 -6.511 -5.960 1.00 50.43 H new ATOM 0 HB3 ARG A 116 11.356 -6.478 -7.188 1.00 50.43 H new ATOM 0 HG2 ARG A 116 9.587 -4.143 -6.417 1.00 43.34 H new ATOM 0 HG3 ARG A 116 11.232 -4.399 -5.870 1.00 43.34 H new ATOM 0 HD2 ARG A 116 11.031 -4.426 -8.797 1.00 2.30 H new ATOM 0 HD3 ARG A 116 10.408 -2.939 -8.111 1.00 2.30 H new ATOM 0 HE ARG A 116 12.542 -2.279 -7.543 1.00 0.12 H new ATOM 0 HH11 ARG A 116 12.703 -5.715 -8.380 1.00 30.52 H new ATOM 0 HH12 ARG A 116 14.470 -5.728 -8.363 1.00 30.52 H new ATOM 0 HH21 ARG A 116 14.765 -2.327 -7.523 1.00 21.13 H new ATOM 0 HH22 ARG A 116 15.627 -3.827 -7.882 1.00 21.13 H new ATOM 1885 N SER A 117 8.489 -8.693 -7.343 1.00 60.15 N ATOM 1886 CA SER A 117 8.252 -10.125 -7.434 1.00 13.43 C ATOM 1887 C SER A 117 7.400 -10.503 -8.663 1.00 54.10 C ATOM 1888 O SER A 117 7.329 -11.681 -9.004 1.00 62.30 O ATOM 1889 CB SER A 117 7.590 -10.589 -6.131 1.00 72.24 C ATOM 1890 OG SER A 117 8.448 -10.329 -5.028 1.00 75.20 O ATOM 0 H SER A 117 7.935 -8.238 -6.617 1.00 60.15 H new ATOM 0 HA SER A 117 9.207 -10.633 -7.568 1.00 13.43 H new ATOM 0 HB2 SER A 117 6.640 -10.073 -5.993 1.00 72.24 H new ATOM 0 HB3 SER A 117 7.368 -11.655 -6.186 1.00 72.24 H new ATOM 0 HG SER A 117 8.016 -10.627 -4.200 1.00 75.20 H new ATOM 1896 N GLN A 118 6.765 -9.541 -9.345 1.00 21.42 N ATOM 1897 CA GLN A 118 5.995 -9.746 -10.573 1.00 34.23 C ATOM 1898 C GLN A 118 6.778 -9.349 -11.832 1.00 74.31 C ATOM 1899 O GLN A 118 6.324 -9.637 -12.940 1.00 42.52 O ATOM 1900 CB GLN A 118 4.687 -8.936 -10.502 1.00 34.01 C ATOM 1901 CG GLN A 118 3.561 -9.699 -9.793 1.00 24.51 C ATOM 1902 CD GLN A 118 2.203 -9.058 -10.064 1.00 11.02 C ATOM 1903 OE1 GLN A 118 1.577 -8.508 -9.159 1.00 35.10 O ATOM 1904 NE2 GLN A 118 1.733 -9.068 -11.300 1.00 4.05 N ATOM 0 H GLN A 118 6.775 -8.566 -9.045 1.00 21.42 H new ATOM 0 HA GLN A 118 5.780 -10.812 -10.648 1.00 34.23 H new ATOM 0 HB2 GLN A 118 4.872 -7.998 -9.978 1.00 34.01 H new ATOM 0 HB3 GLN A 118 4.367 -8.679 -11.512 1.00 34.01 H new ATOM 0 HG2 GLN A 118 3.551 -10.735 -10.132 1.00 24.51 H new ATOM 0 HG3 GLN A 118 3.750 -9.716 -8.720 1.00 24.51 H new ATOM 0 HE21 GLN A 118 2.261 -9.527 -12.043 1.00 4.05 H new ATOM 0 HE22 GLN A 118 0.843 -8.617 -11.511 1.00 4.05 H new