USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.07 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -111:sc= -0.478 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -120:sc= 0.102 USER MOD Single : A 16 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.66) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 23 ASN : amide:sc= -2.63! K(o=-2.6!,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= -1.71 (180deg=-1.73) USER MOD Single : A 28 ASN : amide:sc= -8.14! C(o=-8.1!,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ 146:sc= -2.34! (180deg=-4.95!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 89:sc= 0.935 USER MOD Single : A 53 ASN : amide:sc= -0.823 K(o=-0.82,f=-6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.39! C(o=-3.4!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.259 -14.168 -4.545 1.00 0.00 N ATOM 2 CA ALA A 1 3.491 -13.820 -3.324 1.00 0.00 C ATOM 3 C ALA A 1 2.063 -13.400 -3.675 1.00 0.00 C ATOM 4 O ALA A 1 1.756 -13.124 -4.835 1.00 0.00 O ATOM 5 CB ALA A 1 4.194 -12.707 -2.556 1.00 0.00 C ATOM 0 H1 ALA A 1 4.519 -15.175 -4.517 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.675 -13.985 -5.386 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.122 -13.589 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 1 3.439 -14.707 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.619 -12.462 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.191 -13.038 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.275 -11.823 -3.189 1.00 0.00 H new ATOM 13 N PRO A 2 1.172 -13.346 -2.669 1.00 0.00 N ATOM 14 CA PRO A 2 -0.234 -12.952 -2.858 1.00 0.00 C ATOM 15 C PRO A 2 -0.359 -11.611 -3.572 1.00 0.00 C ATOM 16 O PRO A 2 0.611 -10.872 -3.703 1.00 0.00 O ATOM 17 CB PRO A 2 -0.778 -12.930 -1.412 1.00 0.00 C ATOM 18 CG PRO A 2 0.431 -12.822 -0.553 1.00 0.00 C ATOM 19 CD PRO A 2 1.460 -13.649 -1.259 1.00 0.00 C ATOM 0 HA PRO A 2 -0.797 -13.628 -3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.451 -12.087 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.343 -13.835 -1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.755 -11.786 -0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.240 -13.198 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.475 -13.366 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.353 -14.711 -1.039 1.00 0.00 H new ATOM 24 N TRP A 3 -1.556 -11.318 -4.043 1.00 0.00 N ATOM 25 CA TRP A 3 -1.814 -10.089 -4.782 1.00 0.00 C ATOM 26 C TRP A 3 -3.068 -9.413 -4.275 1.00 0.00 C ATOM 27 O TRP A 3 -3.969 -10.054 -3.738 1.00 0.00 O ATOM 28 CB TRP A 3 -1.944 -10.414 -6.267 1.00 0.00 C ATOM 29 CG TRP A 3 -3.169 -11.191 -6.588 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.333 -12.545 -6.613 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.409 -10.627 -6.935 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.629 -12.848 -6.961 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.311 -11.675 -7.170 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.831 -9.320 -7.068 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.633 -11.437 -7.540 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.118 -9.078 -7.426 1.00 0.00 C ATOM 37 CH2 TRP A 3 -7.021 -10.126 -7.663 1.00 0.00 C ATOM 0 H TRP A 3 -2.373 -11.917 -3.928 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.982 -9.401 -4.634 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.950 -9.485 -6.837 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.068 -10.979 -6.587 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.562 -13.269 -6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.018 -13.787 -7.049 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.148 -8.502 -6.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.322 -12.248 -7.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.454 -8.057 -7.531 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -8.038 -9.897 -7.947 1.00 0.00 H new ATOM 47 N ALA A 4 -3.104 -8.095 -4.454 1.00 0.00 N ATOM 48 CA ALA A 4 -4.241 -7.323 -4.007 1.00 0.00 C ATOM 49 C ALA A 4 -4.582 -6.193 -4.959 1.00 0.00 C ATOM 50 O ALA A 4 -3.761 -5.772 -5.758 1.00 0.00 O ATOM 51 CB ALA A 4 -4.016 -6.750 -2.616 1.00 0.00 C ATOM 0 H ALA A 4 -2.365 -7.552 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.080 -8.018 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.892 -6.176 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.853 -7.564 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.142 -6.099 -2.628 1.00 0.00 H new ATOM 57 N THR A 5 -5.793 -5.721 -4.866 1.00 0.00 N ATOM 58 CA THR A 5 -6.254 -4.625 -5.692 1.00 0.00 C ATOM 59 C THR A 5 -6.502 -3.409 -4.841 1.00 0.00 C ATOM 60 O THR A 5 -6.891 -3.524 -3.678 1.00 0.00 O ATOM 61 CB THR A 5 -7.560 -4.976 -6.429 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.558 -6.356 -6.805 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.736 -4.109 -7.666 1.00 0.00 C ATOM 0 H THR A 5 -6.494 -6.080 -4.218 1.00 0.00 H new ATOM 0 HA THR A 5 -5.476 -4.427 -6.429 1.00 0.00 H new ATOM 0 HB THR A 5 -8.392 -4.787 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.489 -6.429 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.665 -4.377 -8.169 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.771 -3.060 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.898 -4.269 -8.344 1.00 0.00 H new ATOM 71 N ALA A 6 -6.278 -2.229 -5.416 1.00 0.00 N ATOM 72 CA ALA A 6 -6.479 -0.978 -4.704 1.00 0.00 C ATOM 73 C ALA A 6 -7.932 -0.571 -4.775 1.00 0.00 C ATOM 74 O ALA A 6 -8.603 -0.747 -5.792 1.00 0.00 O ATOM 75 CB ALA A 6 -5.600 0.123 -5.275 1.00 0.00 C ATOM 0 H ALA A 6 -5.956 -2.118 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.199 -1.130 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.771 1.048 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.552 -0.165 -5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.846 0.277 -6.326 1.00 0.00 H new ATOM 81 N GLU A 7 -8.401 -0.024 -3.671 1.00 0.00 N ATOM 82 CA GLU A 7 -9.768 0.432 -3.586 1.00 0.00 C ATOM 83 C GLU A 7 -9.871 1.946 -3.387 1.00 0.00 C ATOM 84 O GLU A 7 -10.963 2.512 -3.367 1.00 0.00 O ATOM 85 CB GLU A 7 -10.492 -0.267 -2.434 1.00 0.00 C ATOM 86 CG GLU A 7 -10.447 -1.783 -2.516 1.00 0.00 C ATOM 87 CD GLU A 7 -11.723 -2.373 -3.085 1.00 0.00 C ATOM 88 OE1 GLU A 7 -11.866 -2.393 -4.325 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.579 -2.814 -2.289 1.00 0.00 O ATOM 0 H GLU A 7 -7.853 0.114 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.237 0.182 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.047 0.051 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.533 0.057 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.603 -2.085 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.274 -2.192 -1.521 1.00 0.00 H new ATOM 94 N TYR A 8 -8.700 2.597 -3.242 1.00 0.00 N ATOM 95 CA TYR A 8 -8.589 4.043 -3.072 1.00 0.00 C ATOM 96 C TYR A 8 -7.244 4.559 -3.611 1.00 0.00 C ATOM 97 O TYR A 8 -6.216 3.932 -3.374 1.00 0.00 O ATOM 98 CB TYR A 8 -8.707 4.333 -1.590 1.00 0.00 C ATOM 99 CG TYR A 8 -10.000 3.806 -1.051 1.00 0.00 C ATOM 100 CD1 TYR A 8 -11.166 4.548 -1.146 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.064 2.545 -0.496 1.00 0.00 C ATOM 102 CE1 TYR A 8 -12.363 4.045 -0.690 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.252 2.028 -0.043 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.405 2.781 -0.138 1.00 0.00 C ATOM 105 OH TYR A 8 -13.599 2.268 0.314 1.00 0.00 O ATOM 0 H TYR A 8 -7.799 2.119 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.376 4.549 -3.631 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.872 3.878 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.646 5.408 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.135 5.535 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.164 1.954 -0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.264 4.636 -0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.285 1.037 0.386 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.454 1.367 0.672 1.00 0.00 H new ATOM 114 N ASP A 9 -7.249 5.698 -4.297 1.00 0.00 N ATOM 115 CA ASP A 9 -6.024 6.296 -4.886 1.00 0.00 C ATOM 116 C ASP A 9 -4.925 6.406 -3.835 1.00 0.00 C ATOM 117 O ASP A 9 -3.758 6.116 -4.079 1.00 0.00 O ATOM 118 CB ASP A 9 -6.399 7.668 -5.456 1.00 0.00 C ATOM 119 CG ASP A 9 -5.190 8.510 -5.819 1.00 0.00 C ATOM 120 OD1 ASP A 9 -4.068 7.960 -5.838 1.00 0.00 O ATOM 121 OD2 ASP A 9 -5.365 9.717 -6.084 1.00 0.00 O ATOM 0 H ASP A 9 -8.094 6.243 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.634 5.665 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.018 7.530 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.003 8.206 -4.726 1.00 0.00 H new ATOM 125 N TYR A 10 -5.355 6.815 -2.706 1.00 0.00 N ATOM 126 CA TYR A 10 -4.450 6.966 -1.565 1.00 0.00 C ATOM 127 C TYR A 10 -3.189 7.788 -1.865 1.00 0.00 C ATOM 128 O TYR A 10 -2.554 7.655 -2.904 1.00 0.00 O ATOM 129 CB TYR A 10 -4.021 5.582 -1.096 1.00 0.00 C ATOM 130 CG TYR A 10 -3.182 5.591 0.156 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.285 6.623 1.074 1.00 0.00 C ATOM 132 CD2 TYR A 10 -2.264 4.579 0.403 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.502 6.649 2.203 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.480 4.595 1.538 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.605 5.634 2.432 1.00 0.00 C ATOM 136 OH TYR A 10 -0.822 5.668 3.556 1.00 0.00 O ATOM 0 H TYR A 10 -6.327 7.060 -2.515 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.005 7.511 -0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.911 4.977 -0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.459 5.097 -1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.992 7.420 0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.162 3.768 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.591 7.463 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.774 3.799 1.723 1.00 0.00 H new ATOM 0 HH TYR A 10 0.123 5.675 3.296 1.00 0.00 H new ATOM 145 N ASP A 11 -2.842 8.644 -0.934 1.00 0.00 N ATOM 146 CA ASP A 11 -1.619 9.415 -1.081 1.00 0.00 C ATOM 147 C ASP A 11 -0.631 9.096 0.054 1.00 0.00 C ATOM 148 O ASP A 11 -0.312 9.975 0.853 1.00 0.00 O ATOM 149 CB ASP A 11 -1.993 10.896 -1.051 1.00 0.00 C ATOM 150 CG ASP A 11 -0.783 11.810 -1.018 1.00 0.00 C ATOM 151 OD1 ASP A 11 0.067 11.704 -1.928 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.686 12.634 -0.085 1.00 0.00 O ATOM 0 H ASP A 11 -3.372 8.826 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.132 9.161 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.596 11.131 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.613 11.091 -0.176 1.00 0.00 H new ATOM 156 N ALA A 12 -0.157 7.820 0.103 1.00 0.00 N ATOM 157 CA ALA A 12 0.843 7.331 1.082 1.00 0.00 C ATOM 158 C ALA A 12 1.096 8.326 2.228 1.00 0.00 C ATOM 159 O ALA A 12 1.938 9.216 2.110 1.00 0.00 O ATOM 160 CB ALA A 12 2.110 7.039 0.306 1.00 0.00 C ATOM 0 H ALA A 12 -0.466 7.097 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 12 0.469 6.433 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.878 6.675 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.907 6.281 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.458 7.951 -0.179 1.00 0.00 H new ATOM 166 N ALA A 13 0.370 8.166 3.323 1.00 0.00 N ATOM 167 CA ALA A 13 0.478 9.063 4.477 1.00 0.00 C ATOM 168 C ALA A 13 1.878 9.173 5.155 1.00 0.00 C ATOM 169 O ALA A 13 2.185 10.229 5.707 1.00 0.00 O ATOM 170 CB ALA A 13 -0.545 8.663 5.511 1.00 0.00 C ATOM 0 H ALA A 13 -0.310 7.415 3.443 1.00 0.00 H new ATOM 0 HA ALA A 13 0.298 10.057 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.470 9.326 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.544 8.737 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.361 7.636 5.827 1.00 0.00 H new ATOM 176 N GLU A 14 2.724 8.142 5.134 1.00 0.00 N ATOM 177 CA GLU A 14 4.020 8.216 5.866 1.00 0.00 C ATOM 178 C GLU A 14 5.328 8.253 5.049 1.00 0.00 C ATOM 179 O GLU A 14 6.391 8.417 5.646 1.00 0.00 O ATOM 180 CB GLU A 14 4.162 7.013 6.803 1.00 0.00 C ATOM 181 CG GLU A 14 3.462 7.201 8.139 1.00 0.00 C ATOM 182 CD GLU A 14 4.109 8.275 8.992 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.181 8.780 8.600 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.540 8.611 10.053 1.00 0.00 O ATOM 0 H GLU A 14 2.557 7.266 4.639 1.00 0.00 H new ATOM 0 HA GLU A 14 3.935 9.186 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.757 6.129 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.221 6.823 6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.418 7.461 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.468 6.257 8.684 1.00 0.00 H new ATOM 189 N ASP A 15 5.263 8.086 3.735 1.00 0.00 N ATOM 190 CA ASP A 15 6.450 8.119 2.841 1.00 0.00 C ATOM 191 C ASP A 15 6.751 6.701 2.399 1.00 0.00 C ATOM 192 O ASP A 15 6.651 6.409 1.205 1.00 0.00 O ATOM 193 CB ASP A 15 7.677 8.809 3.451 1.00 0.00 C ATOM 194 CG ASP A 15 8.681 9.239 2.400 1.00 0.00 C ATOM 195 OD1 ASP A 15 8.439 10.268 1.735 1.00 0.00 O ATOM 196 OD2 ASP A 15 9.707 8.546 2.239 1.00 0.00 O ATOM 0 H ASP A 15 4.386 7.922 3.240 1.00 0.00 H new ATOM 0 HA ASP A 15 6.206 8.739 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.355 9.681 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.160 8.130 4.154 1.00 0.00 H new ATOM 200 N ASN A 16 7.119 5.795 3.325 1.00 0.00 N ATOM 201 CA ASN A 16 7.348 4.447 2.827 1.00 0.00 C ATOM 202 C ASN A 16 6.066 3.656 3.001 1.00 0.00 C ATOM 203 O ASN A 16 6.020 2.629 3.682 1.00 0.00 O ATOM 204 CB ASN A 16 8.346 3.864 3.842 1.00 0.00 C ATOM 205 CG ASN A 16 9.350 2.933 3.193 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.099 2.377 2.124 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.493 2.761 3.842 1.00 0.00 N ATOM 0 H ASN A 16 7.252 5.954 4.324 1.00 0.00 H new ATOM 0 HA ASN A 16 7.677 4.423 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.876 4.679 4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.800 3.324 4.615 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.210 2.146 3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.655 3.244 4.726 1.00 0.00 H new ATOM 213 N GLU A 17 5.027 4.127 2.364 1.00 0.00 N ATOM 214 CA GLU A 17 3.807 3.421 2.181 1.00 0.00 C ATOM 215 C GLU A 17 3.664 3.199 0.691 1.00 0.00 C ATOM 216 O GLU A 17 4.433 3.771 -0.081 1.00 0.00 O ATOM 217 CB GLU A 17 2.653 4.203 2.784 1.00 0.00 C ATOM 218 CG GLU A 17 2.692 4.149 4.305 1.00 0.00 C ATOM 219 CD GLU A 17 1.709 5.091 4.962 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.397 6.131 4.355 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.269 4.800 6.091 1.00 0.00 O ATOM 0 H GLU A 17 5.018 5.056 1.943 1.00 0.00 H new ATOM 0 HA GLU A 17 3.803 2.458 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.699 5.240 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.707 3.796 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.482 3.130 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.699 4.391 4.645 1.00 0.00 H new ATOM 226 N LEU A 18 2.726 2.403 0.254 1.00 0.00 N ATOM 227 CA LEU A 18 2.504 2.262 -1.167 1.00 0.00 C ATOM 228 C LEU A 18 1.402 3.250 -1.496 1.00 0.00 C ATOM 229 O LEU A 18 0.825 3.874 -0.607 1.00 0.00 O ATOM 230 CB LEU A 18 2.116 0.824 -1.541 1.00 0.00 C ATOM 231 CG LEU A 18 2.211 0.448 -3.035 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.288 1.234 -3.772 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.485 -1.040 -3.180 1.00 0.00 C ATOM 0 H LEU A 18 2.109 1.848 0.848 1.00 0.00 H new ATOM 0 HA LEU A 18 3.409 2.467 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.752 0.142 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.092 0.651 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 18 1.252 0.703 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.310 0.928 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.068 2.300 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.258 1.037 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.550 -1.297 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.426 -1.286 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.675 -1.606 -2.719 1.00 0.00 H new ATOM 244 N THR A 19 1.114 3.386 -2.773 1.00 0.00 N ATOM 245 CA THR A 19 0.145 4.348 -3.227 1.00 0.00 C ATOM 246 C THR A 19 -0.480 3.808 -4.484 1.00 0.00 C ATOM 247 O THR A 19 0.222 3.406 -5.411 1.00 0.00 O ATOM 248 CB THR A 19 0.787 5.711 -3.513 1.00 0.00 C ATOM 249 OG1 THR A 19 2.130 5.739 -3.013 1.00 0.00 O ATOM 250 CG2 THR A 19 -0.025 6.814 -2.866 1.00 0.00 C ATOM 0 H THR A 19 1.543 2.836 -3.517 1.00 0.00 H new ATOM 0 HA THR A 19 -0.601 4.501 -2.447 1.00 0.00 H new ATOM 0 HB THR A 19 0.807 5.869 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.531 6.613 -3.202 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.439 7.778 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.038 6.804 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.061 6.655 -1.788 1.00 0.00 H new ATOM 258 N PHE A 20 -1.781 3.791 -4.526 1.00 0.00 N ATOM 259 CA PHE A 20 -2.438 3.201 -5.694 1.00 0.00 C ATOM 260 C PHE A 20 -3.806 3.772 -5.916 1.00 0.00 C ATOM 261 O PHE A 20 -4.504 4.097 -4.984 1.00 0.00 O ATOM 262 CB PHE A 20 -2.517 1.684 -5.536 1.00 0.00 C ATOM 263 CG PHE A 20 -2.529 1.268 -4.102 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.537 1.711 -3.265 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.520 0.473 -3.583 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.543 1.367 -1.934 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.524 0.121 -2.250 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.535 0.568 -1.420 1.00 0.00 C ATOM 0 H PHE A 20 -2.402 4.159 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.838 3.445 -6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.417 1.315 -6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.667 1.223 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.327 2.333 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.725 0.127 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.334 1.720 -1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.737 -0.504 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.539 0.295 -0.375 1.00 0.00 H new ATOM 277 N VAL A 21 -4.225 3.701 -7.165 1.00 0.00 N ATOM 278 CA VAL A 21 -5.515 4.225 -7.577 1.00 0.00 C ATOM 279 C VAL A 21 -6.469 3.102 -7.837 1.00 0.00 C ATOM 280 O VAL A 21 -6.142 2.184 -8.582 1.00 0.00 O ATOM 281 CB VAL A 21 -5.423 5.127 -8.811 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.684 6.410 -8.468 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.746 4.396 -9.956 1.00 0.00 C ATOM 0 H VAL A 21 -3.684 3.280 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.882 4.841 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.431 5.389 -9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.625 7.043 -9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.219 6.938 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.677 6.170 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.690 5.053 -10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.740 4.103 -9.656 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.322 3.506 -10.211 1.00 0.00 H new ATOM 293 N GLU A 22 -7.647 3.179 -7.205 1.00 0.00 N ATOM 294 CA GLU A 22 -8.694 2.162 -7.317 1.00 0.00 C ATOM 295 C GLU A 22 -8.566 1.272 -8.541 1.00 0.00 C ATOM 296 O GLU A 22 -8.196 1.708 -9.632 1.00 0.00 O ATOM 297 CB GLU A 22 -10.074 2.810 -7.337 1.00 0.00 C ATOM 298 CG GLU A 22 -10.385 3.561 -8.622 1.00 0.00 C ATOM 299 CD GLU A 22 -9.762 4.943 -8.655 1.00 0.00 C ATOM 300 OE1 GLU A 22 -9.101 5.320 -7.665 1.00 0.00 O ATOM 301 OE2 GLU A 22 -9.935 5.648 -9.672 1.00 0.00 O ATOM 0 H GLU A 22 -7.900 3.957 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.569 1.530 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.829 2.038 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.153 3.500 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.024 2.983 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.466 3.651 -8.734 1.00 0.00 H new ATOM 306 N ASN A 23 -8.951 0.033 -8.343 1.00 0.00 N ATOM 307 CA ASN A 23 -8.836 -0.928 -9.421 1.00 0.00 C ATOM 308 C ASN A 23 -7.360 -1.195 -9.751 1.00 0.00 C ATOM 309 O ASN A 23 -7.058 -1.928 -10.693 1.00 0.00 O ATOM 310 CB ASN A 23 -9.571 -0.447 -10.674 1.00 0.00 C ATOM 311 CG ASN A 23 -10.748 0.460 -10.366 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.559 0.170 -9.487 1.00 0.00 O ATOM 313 ND2 ASN A 23 -10.845 1.565 -11.094 1.00 0.00 N ATOM 0 H ASN A 23 -9.337 -0.329 -7.471 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.299 -1.856 -9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.870 0.085 -11.317 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.925 -1.312 -11.235 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.615 2.214 -10.935 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.149 1.765 -11.812 1.00 0.00 H new ATOM 319 N ASP A 24 -6.431 -0.597 -8.974 1.00 0.00 N ATOM 320 CA ASP A 24 -5.005 -0.803 -9.210 1.00 0.00 C ATOM 321 C ASP A 24 -4.675 -2.193 -8.730 1.00 0.00 C ATOM 322 O ASP A 24 -5.182 -2.662 -7.716 1.00 0.00 O ATOM 323 CB ASP A 24 -4.142 0.279 -8.499 1.00 0.00 C ATOM 324 CG ASP A 24 -2.906 -0.252 -7.776 1.00 0.00 C ATOM 325 OD1 ASP A 24 -3.061 -1.128 -6.898 1.00 0.00 O ATOM 326 OD2 ASP A 24 -1.794 0.220 -8.079 1.00 0.00 O ATOM 0 H ASP A 24 -6.648 0.021 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.775 -0.706 -10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.824 1.012 -9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.768 0.805 -7.778 1.00 0.00 H new ATOM 330 N LYS A 25 -3.808 -2.833 -9.486 1.00 0.00 N ATOM 331 CA LYS A 25 -3.411 -4.170 -9.170 1.00 0.00 C ATOM 332 C LYS A 25 -2.104 -4.164 -8.369 1.00 0.00 C ATOM 333 O LYS A 25 -1.170 -3.428 -8.686 1.00 0.00 O ATOM 334 CB LYS A 25 -3.258 -4.955 -10.470 1.00 0.00 C ATOM 335 CG LYS A 25 -2.619 -6.297 -10.295 1.00 0.00 C ATOM 336 CD LYS A 25 -3.640 -7.390 -10.068 1.00 0.00 C ATOM 337 CE LYS A 25 -2.971 -8.616 -9.493 1.00 0.00 C ATOM 338 NZ LYS A 25 -2.048 -9.255 -10.471 1.00 0.00 N ATOM 0 H LYS A 25 -3.371 -2.442 -10.320 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.171 -4.648 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.241 -5.088 -10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.663 -4.368 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.026 -6.533 -11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.932 -6.263 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.416 -7.038 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.130 -7.641 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.416 -8.340 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.731 -9.335 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.596 -10.083 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.585 -9.557 -11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.317 -8.572 -10.756 1.00 0.00 H new ATOM 348 N ILE A 26 -2.055 -5.000 -7.339 1.00 0.00 N ATOM 349 CA ILE A 26 -0.872 -5.140 -6.490 1.00 0.00 C ATOM 350 C ILE A 26 -0.478 -6.613 -6.448 1.00 0.00 C ATOM 351 O ILE A 26 -1.336 -7.489 -6.357 1.00 0.00 O ATOM 352 CB ILE A 26 -1.163 -4.646 -5.054 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.601 -3.181 -5.064 1.00 0.00 C ATOM 354 CG2 ILE A 26 0.059 -4.828 -4.163 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.647 -2.856 -4.020 1.00 0.00 C ATOM 0 H ILE A 26 -2.833 -5.601 -7.066 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.063 -4.537 -6.902 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.977 -5.247 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.728 -2.548 -4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.995 -2.935 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.168 -4.474 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.327 -5.884 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.894 -4.257 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.910 -1.800 -4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.536 -3.463 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.250 -3.070 -3.028 1.00 0.00 H new ATOM 366 N ILE A 27 0.817 -6.873 -6.508 1.00 0.00 N ATOM 367 CA ILE A 27 1.309 -8.248 -6.529 1.00 0.00 C ATOM 368 C ILE A 27 2.563 -8.413 -5.685 1.00 0.00 C ATOM 369 O ILE A 27 3.155 -7.442 -5.214 1.00 0.00 O ATOM 370 CB ILE A 27 1.538 -8.708 -7.985 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.473 -7.758 -8.727 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.208 -8.819 -8.715 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.295 -8.448 -9.793 1.00 0.00 C ATOM 0 H ILE A 27 1.545 -6.159 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 27 0.548 -8.888 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 27 2.012 -9.689 -7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.885 -6.964 -9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.143 -7.283 -8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.382 -9.144 -9.741 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.426 -9.545 -8.207 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.286 -7.847 -8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.939 -7.719 -10.284 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.908 -9.224 -9.334 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.630 -8.899 -10.530 1.00 0.00 H new ATOM 384 N ASN A 28 2.954 -9.671 -5.505 1.00 0.00 N ATOM 385 CA ASN A 28 4.096 -10.027 -4.692 1.00 0.00 C ATOM 386 C ASN A 28 3.884 -9.514 -3.291 1.00 0.00 C ATOM 387 O ASN A 28 4.780 -8.944 -2.668 1.00 0.00 O ATOM 388 CB ASN A 28 5.418 -9.510 -5.255 1.00 0.00 C ATOM 389 CG ASN A 28 5.647 -9.922 -6.690 1.00 0.00 C ATOM 390 OD1 ASN A 28 6.430 -10.829 -6.975 1.00 0.00 O ATOM 391 ND2 ASN A 28 4.964 -9.251 -7.598 1.00 0.00 N ATOM 0 H ASN A 28 2.480 -10.471 -5.924 1.00 0.00 H new ATOM 0 HA ASN A 28 4.172 -11.114 -4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.435 -8.422 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.238 -9.881 -4.641 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.073 -9.476 -8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.327 -8.508 -7.311 1.00 0.00 H new ATOM 397 N ILE A 29 2.671 -9.734 -2.808 1.00 0.00 N ATOM 398 CA ILE A 29 2.293 -9.282 -1.495 1.00 0.00 C ATOM 399 C ILE A 29 2.963 -10.131 -0.435 1.00 0.00 C ATOM 400 O ILE A 29 3.113 -11.337 -0.573 1.00 0.00 O ATOM 401 CB ILE A 29 0.753 -9.301 -1.295 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.109 -8.203 -2.153 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.379 -9.121 0.179 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.347 -7.924 -1.825 1.00 0.00 C ATOM 0 H ILE A 29 1.935 -10.226 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 29 2.627 -8.249 -1.398 1.00 0.00 H new ATOM 0 HB ILE A 29 0.376 -10.273 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.679 -7.282 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.184 -8.488 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.706 -9.139 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.814 -9.930 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.762 -8.166 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.722 -7.136 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.934 -8.830 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.431 -7.606 -0.786 1.00 0.00 H new ATOM 415 N GLU A 30 3.337 -9.480 0.633 1.00 0.00 N ATOM 416 CA GLU A 30 3.933 -10.197 1.737 1.00 0.00 C ATOM 417 C GLU A 30 3.391 -9.683 3.046 1.00 0.00 C ATOM 418 O GLU A 30 2.845 -8.595 3.111 1.00 0.00 O ATOM 419 CB GLU A 30 5.456 -10.154 1.668 1.00 0.00 C ATOM 420 CG GLU A 30 6.008 -10.767 0.389 1.00 0.00 C ATOM 421 CD GLU A 30 6.125 -12.276 0.471 1.00 0.00 C ATOM 422 OE1 GLU A 30 5.095 -12.940 0.714 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.247 -12.794 0.292 1.00 0.00 O ATOM 0 H GLU A 30 3.244 -8.473 0.766 1.00 0.00 H new ATOM 0 HA GLU A 30 3.658 -11.249 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.789 -9.119 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.869 -10.684 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.360 -10.501 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.989 -10.341 0.180 1.00 0.00 H new ATOM 428 N PHE A 31 3.617 -10.441 4.102 1.00 0.00 N ATOM 429 CA PHE A 31 3.086 -10.027 5.389 1.00 0.00 C ATOM 430 C PHE A 31 4.161 -9.507 6.320 1.00 0.00 C ATOM 431 O PHE A 31 4.364 -10.015 7.422 1.00 0.00 O ATOM 432 CB PHE A 31 2.283 -11.169 6.008 1.00 0.00 C ATOM 433 CG PHE A 31 1.164 -11.627 5.104 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.102 -10.781 4.793 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.182 -12.896 4.544 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.913 -11.195 3.949 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.171 -13.313 3.696 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.877 -12.462 3.399 1.00 0.00 C ATOM 0 H PHE A 31 4.144 -11.314 4.100 1.00 0.00 H new ATOM 0 HA PHE A 31 2.414 -9.184 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.947 -12.008 6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.869 -10.845 6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.071 -9.788 5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.996 -13.568 4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.732 -10.529 3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.201 -14.303 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.667 -12.787 2.738 1.00 0.00 H new ATOM 447 N VAL A 32 4.846 -8.479 5.844 1.00 0.00 N ATOM 448 CA VAL A 32 5.876 -7.805 6.611 1.00 0.00 C ATOM 449 C VAL A 32 5.278 -7.359 7.942 1.00 0.00 C ATOM 450 O VAL A 32 5.929 -7.444 8.983 1.00 0.00 O ATOM 451 CB VAL A 32 6.385 -6.575 5.824 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.144 -7.014 4.582 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.216 -5.674 5.448 1.00 0.00 C ATOM 0 H VAL A 32 4.701 -8.089 4.913 1.00 0.00 H new ATOM 0 HA VAL A 32 6.713 -8.480 6.790 1.00 0.00 H new ATOM 0 HB VAL A 32 7.069 -6.011 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.495 -6.135 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.998 -7.625 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.484 -7.597 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.585 -4.811 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.513 -6.230 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.712 -5.336 6.353 1.00 0.00 H new ATOM 463 N ASP A 33 4.037 -6.885 7.905 1.00 0.00 N ATOM 464 CA ASP A 33 3.319 -6.483 9.109 1.00 0.00 C ATOM 465 C ASP A 33 1.909 -7.068 9.075 1.00 0.00 C ATOM 466 O ASP A 33 1.448 -7.526 8.033 1.00 0.00 O ATOM 467 CB ASP A 33 3.266 -4.958 9.229 1.00 0.00 C ATOM 468 CG ASP A 33 2.291 -4.491 10.292 1.00 0.00 C ATOM 469 OD1 ASP A 33 2.329 -5.038 11.413 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.491 -3.576 10.003 1.00 0.00 O ATOM 0 H ASP A 33 3.503 -6.769 7.044 1.00 0.00 H new ATOM 0 HA ASP A 33 3.847 -6.866 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.261 -4.581 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.981 -4.531 8.267 1.00 0.00 H new ATOM 474 N ASP A 34 1.233 -7.057 10.217 1.00 0.00 N ATOM 475 CA ASP A 34 -0.137 -7.547 10.284 1.00 0.00 C ATOM 476 C ASP A 34 -1.048 -6.581 9.532 1.00 0.00 C ATOM 477 O ASP A 34 -1.862 -6.978 8.698 1.00 0.00 O ATOM 478 CB ASP A 34 -0.593 -7.681 11.738 1.00 0.00 C ATOM 479 CG ASP A 34 -0.406 -9.086 12.275 1.00 0.00 C ATOM 480 OD1 ASP A 34 0.719 -9.412 12.708 1.00 0.00 O ATOM 481 OD2 ASP A 34 -1.385 -9.861 12.263 1.00 0.00 O ATOM 0 H ASP A 34 1.608 -6.717 11.103 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.188 -8.534 9.823 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.033 -6.981 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.644 -7.403 11.813 1.00 0.00 H new ATOM 485 N ASP A 35 -0.883 -5.303 9.856 1.00 0.00 N ATOM 486 CA ASP A 35 -1.726 -4.242 9.314 1.00 0.00 C ATOM 487 C ASP A 35 -1.264 -3.665 7.979 1.00 0.00 C ATOM 488 O ASP A 35 -2.097 -3.358 7.126 1.00 0.00 O ATOM 489 CB ASP A 35 -1.832 -3.102 10.329 1.00 0.00 C ATOM 490 CG ASP A 35 -2.801 -3.416 11.451 1.00 0.00 C ATOM 491 OD1 ASP A 35 -2.761 -4.551 11.972 1.00 0.00 O ATOM 492 OD2 ASP A 35 -3.600 -2.526 11.811 1.00 0.00 O ATOM 0 H ASP A 35 -0.164 -4.974 10.500 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.690 -4.713 9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.847 -2.901 10.749 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.153 -2.194 9.819 1.00 0.00 H new ATOM 496 N TRP A 36 0.042 -3.509 7.776 1.00 0.00 N ATOM 497 CA TRP A 36 0.515 -3.060 6.463 1.00 0.00 C ATOM 498 C TRP A 36 1.330 -4.153 5.813 1.00 0.00 C ATOM 499 O TRP A 36 2.414 -4.472 6.287 1.00 0.00 O ATOM 500 CB TRP A 36 1.345 -1.777 6.549 1.00 0.00 C ATOM 501 CG TRP A 36 0.531 -0.591 6.922 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.135 -0.453 8.079 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.276 0.601 6.155 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.780 0.754 8.123 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.546 1.420 6.953 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.660 1.065 4.886 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.990 2.666 6.538 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.207 2.315 4.469 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.609 3.096 5.300 1.00 0.00 C ATOM 0 H TRP A 36 0.769 -3.678 8.471 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.365 -2.838 5.859 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.140 -1.912 7.282 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.826 -1.595 5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.159 -1.192 8.866 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.342 1.099 8.901 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.292 0.466 4.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.616 3.276 7.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.488 2.687 3.495 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.944 4.062 4.952 1.00 0.00 H new ATOM 519 N TRP A 37 0.865 -4.724 4.715 1.00 0.00 N ATOM 520 CA TRP A 37 1.577 -5.769 4.023 1.00 0.00 C ATOM 521 C TRP A 37 2.420 -5.100 2.974 1.00 0.00 C ATOM 522 O TRP A 37 2.239 -3.912 2.702 1.00 0.00 O ATOM 523 CB TRP A 37 0.568 -6.752 3.414 1.00 0.00 C ATOM 524 CG TRP A 37 -0.604 -7.053 4.287 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.580 -7.406 5.603 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.978 -7.049 3.895 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.857 -7.619 6.056 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.733 -7.407 5.024 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.644 -6.773 2.697 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.118 -7.500 4.992 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -4.021 -6.864 2.666 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.747 -7.226 3.808 1.00 0.00 C ATOM 0 H TRP A 37 -0.022 -4.470 4.281 1.00 0.00 H new ATOM 0 HA TRP A 37 2.218 -6.344 4.691 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.207 -6.344 2.470 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.082 -7.685 3.183 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.314 -7.504 6.202 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.113 -7.891 7.005 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.091 -6.494 1.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.680 -7.779 5.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.547 -6.653 1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.824 -7.290 3.753 1.00 0.00 H new ATOM 542 N LEU A 38 3.343 -5.825 2.374 1.00 0.00 N ATOM 543 CA LEU A 38 4.199 -5.232 1.388 1.00 0.00 C ATOM 544 C LEU A 38 3.779 -5.678 0.016 1.00 0.00 C ATOM 545 O LEU A 38 3.197 -6.741 -0.150 1.00 0.00 O ATOM 546 CB LEU A 38 5.667 -5.593 1.697 1.00 0.00 C ATOM 547 CG LEU A 38 6.336 -6.592 0.734 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.602 -5.927 -0.609 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.624 -7.136 1.333 1.00 0.00 C ATOM 0 H LEU A 38 3.512 -6.814 2.555 1.00 0.00 H new ATOM 0 HA LEU A 38 4.113 -4.146 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.253 -4.674 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.714 -6.004 2.705 1.00 0.00 H new ATOM 0 HG LEU A 38 5.659 -7.431 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.075 -6.642 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.660 -5.590 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.262 -5.071 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.080 -7.840 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.314 -6.313 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.402 -7.646 2.271 1.00 0.00 H new ATOM 560 N GLY A 39 4.069 -4.839 -0.950 1.00 0.00 N ATOM 561 CA GLY A 39 3.655 -5.200 -2.280 1.00 0.00 C ATOM 562 C GLY A 39 4.671 -5.050 -3.379 1.00 0.00 C ATOM 563 O GLY A 39 5.877 -4.919 -3.172 1.00 0.00 O ATOM 0 H GLY A 39 4.562 -3.951 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.328 -6.240 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.785 -4.596 -2.539 1.00 0.00 H new ATOM 567 N GLU A 40 4.095 -5.083 -4.563 1.00 0.00 N ATOM 568 CA GLU A 40 4.762 -4.907 -5.831 1.00 0.00 C ATOM 569 C GLU A 40 3.633 -4.627 -6.812 1.00 0.00 C ATOM 570 O GLU A 40 2.796 -5.489 -7.009 1.00 0.00 O ATOM 571 CB GLU A 40 5.562 -6.143 -6.215 1.00 0.00 C ATOM 572 CG GLU A 40 6.798 -5.818 -7.028 1.00 0.00 C ATOM 573 CD GLU A 40 7.947 -6.770 -6.755 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.837 -7.576 -5.807 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.956 -6.709 -7.489 1.00 0.00 O ATOM 0 H GLU A 40 3.093 -5.242 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 40 5.493 -4.099 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.858 -6.673 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.925 -6.818 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.549 -5.851 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.116 -4.799 -6.807 1.00 0.00 H new ATOM 580 N LEU A 41 3.581 -3.468 -7.435 1.00 0.00 N ATOM 581 CA LEU A 41 2.451 -3.226 -8.326 1.00 0.00 C ATOM 582 C LEU A 41 2.620 -3.949 -9.644 1.00 0.00 C ATOM 583 O LEU A 41 3.593 -3.770 -10.343 1.00 0.00 O ATOM 584 CB LEU A 41 2.159 -1.735 -8.537 1.00 0.00 C ATOM 585 CG LEU A 41 1.513 -1.007 -7.354 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.381 0.479 -7.653 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.150 -1.599 -7.043 1.00 0.00 C ATOM 0 H LEU A 41 4.262 -2.713 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 41 1.576 -3.639 -7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.095 -1.232 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.506 -1.631 -9.403 1.00 0.00 H new ATOM 0 HG LEU A 41 2.155 -1.134 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.920 0.982 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.369 0.903 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.759 0.618 -8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.293 -1.069 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.497 -1.500 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.260 -2.654 -6.791 1.00 0.00 H new ATOM 598 N GLU A 42 1.690 -4.827 -9.950 1.00 0.00 N ATOM 599 CA GLU A 42 1.747 -5.572 -11.191 1.00 0.00 C ATOM 600 C GLU A 42 1.821 -4.610 -12.374 1.00 0.00 C ATOM 601 O GLU A 42 2.536 -4.854 -13.346 1.00 0.00 O ATOM 602 CB GLU A 42 0.511 -6.474 -11.289 1.00 0.00 C ATOM 603 CG GLU A 42 0.082 -6.835 -12.705 1.00 0.00 C ATOM 604 CD GLU A 42 1.226 -7.369 -13.545 1.00 0.00 C ATOM 605 OE1 GLU A 42 2.350 -7.483 -13.012 1.00 0.00 O ATOM 606 OE2 GLU A 42 0.997 -7.677 -14.734 1.00 0.00 O ATOM 0 H GLU A 42 0.887 -5.043 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 42 2.641 -6.196 -11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.709 -7.395 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.321 -5.978 -10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.710 -7.582 -12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.338 -5.953 -13.189 1.00 0.00 H new ATOM 611 N LYS A 43 1.074 -3.516 -12.275 1.00 0.00 N ATOM 612 CA LYS A 43 1.020 -2.545 -13.354 1.00 0.00 C ATOM 613 C LYS A 43 2.352 -1.803 -13.570 1.00 0.00 C ATOM 614 O LYS A 43 2.772 -1.627 -14.714 1.00 0.00 O ATOM 615 CB LYS A 43 -0.161 -1.577 -13.159 1.00 0.00 C ATOM 616 CG LYS A 43 0.195 -0.233 -12.536 1.00 0.00 C ATOM 617 CD LYS A 43 -0.926 0.277 -11.649 1.00 0.00 C ATOM 618 CE LYS A 43 -0.397 0.708 -10.294 1.00 0.00 C ATOM 619 NZ LYS A 43 0.886 1.455 -10.408 1.00 0.00 N ATOM 0 H LYS A 43 0.502 -3.283 -11.463 1.00 0.00 H new ATOM 0 HA LYS A 43 0.850 -3.103 -14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.626 -1.398 -14.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.908 -2.063 -12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.109 -0.332 -11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.398 0.493 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.423 1.118 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.675 -0.504 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.138 1.334 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.250 -0.171 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.930 2.184 -9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.683 0.796 -10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.943 1.907 -11.343 1.00 0.00 H new ATOM 629 N ASP A 44 3.021 -1.369 -12.500 1.00 0.00 N ATOM 630 CA ASP A 44 4.278 -0.605 -12.661 1.00 0.00 C ATOM 631 C ASP A 44 5.472 -1.203 -11.903 1.00 0.00 C ATOM 632 O ASP A 44 6.605 -0.747 -12.056 1.00 0.00 O ATOM 633 CB ASP A 44 4.074 0.846 -12.217 1.00 0.00 C ATOM 634 CG ASP A 44 5.297 1.705 -12.473 1.00 0.00 C ATOM 635 OD1 ASP A 44 6.039 1.412 -13.434 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.511 2.673 -11.712 1.00 0.00 O ATOM 0 H ASP A 44 2.731 -1.523 -11.534 1.00 0.00 H new ATOM 0 HA ASP A 44 4.522 -0.655 -13.722 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.219 1.268 -12.746 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.834 0.868 -11.154 1.00 0.00 H new ATOM 640 N GLY A 45 5.211 -2.211 -11.100 1.00 0.00 N ATOM 641 CA GLY A 45 6.279 -2.849 -10.338 1.00 0.00 C ATOM 642 C GLY A 45 6.723 -2.071 -9.110 1.00 0.00 C ATOM 643 O GLY A 45 7.884 -2.162 -8.709 1.00 0.00 O ATOM 0 H GLY A 45 4.283 -2.608 -10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.945 -3.838 -10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.139 -2.994 -10.992 1.00 0.00 H new ATOM 647 N SER A 46 5.820 -1.308 -8.507 1.00 0.00 N ATOM 648 CA SER A 46 6.171 -0.529 -7.319 1.00 0.00 C ATOM 649 C SER A 46 5.976 -1.357 -6.056 1.00 0.00 C ATOM 650 O SER A 46 4.956 -2.019 -5.894 1.00 0.00 O ATOM 651 CB SER A 46 5.325 0.743 -7.244 1.00 0.00 C ATOM 652 OG SER A 46 5.906 1.787 -8.008 1.00 0.00 O ATOM 0 H SER A 46 4.852 -1.210 -8.813 1.00 0.00 H new ATOM 0 HA SER A 46 7.222 -0.250 -7.395 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.319 0.537 -7.610 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.228 1.059 -6.205 1.00 0.00 H new ATOM 0 HG SER A 46 5.346 2.589 -7.946 1.00 0.00 H new ATOM 657 N LYS A 47 6.937 -1.257 -5.133 1.00 0.00 N ATOM 658 CA LYS A 47 6.878 -2.003 -3.879 1.00 0.00 C ATOM 659 C LYS A 47 6.851 -1.063 -2.687 1.00 0.00 C ATOM 660 O LYS A 47 7.431 0.023 -2.727 1.00 0.00 O ATOM 661 CB LYS A 47 8.070 -2.950 -3.714 1.00 0.00 C ATOM 662 CG LYS A 47 8.663 -3.424 -5.031 1.00 0.00 C ATOM 663 CD LYS A 47 9.921 -2.648 -5.385 1.00 0.00 C ATOM 664 CE LYS A 47 10.592 -3.212 -6.626 1.00 0.00 C ATOM 665 NZ LYS A 47 11.863 -2.502 -6.942 1.00 0.00 N ATOM 0 H LYS A 47 7.763 -0.667 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 47 5.960 -2.589 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.846 -2.446 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.755 -3.818 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.896 -4.487 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.926 -3.308 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.669 -1.600 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.617 -2.680 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.796 -4.273 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.912 -3.133 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.289 -2.917 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.666 -1.495 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.522 -2.598 -6.144 1.00 0.00 H new ATOM 675 N GLY A 48 6.177 -1.480 -1.626 1.00 0.00 N ATOM 676 CA GLY A 48 6.102 -0.684 -0.421 1.00 0.00 C ATOM 677 C GLY A 48 5.068 -1.209 0.544 1.00 0.00 C ATOM 678 O GLY A 48 4.157 -1.937 0.148 1.00 0.00 O ATOM 0 H GLY A 48 5.675 -2.367 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.077 -0.671 0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.863 0.347 -0.683 1.00 0.00 H new ATOM 682 N LEU A 49 5.196 -0.847 1.813 1.00 0.00 N ATOM 683 CA LEU A 49 4.241 -1.303 2.800 1.00 0.00 C ATOM 684 C LEU A 49 2.950 -0.579 2.526 1.00 0.00 C ATOM 685 O LEU A 49 2.959 0.615 2.252 1.00 0.00 O ATOM 686 CB LEU A 49 4.732 -1.010 4.215 1.00 0.00 C ATOM 687 CG LEU A 49 6.006 -1.736 4.623 1.00 0.00 C ATOM 688 CD1 LEU A 49 7.031 -0.746 5.158 1.00 0.00 C ATOM 689 CD2 LEU A 49 5.686 -2.802 5.656 1.00 0.00 C ATOM 0 H LEU A 49 5.940 -0.249 2.174 1.00 0.00 H new ATOM 0 HA LEU A 49 4.106 -2.382 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.898 0.063 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.942 -1.273 4.918 1.00 0.00 H new ATOM 0 HG LEU A 49 6.435 -2.224 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.937 -1.280 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.270 -0.016 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.621 -0.232 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.603 -3.317 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.242 -2.335 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.984 -3.520 5.232 1.00 0.00 H new ATOM 700 N PHE A 50 1.835 -1.275 2.572 1.00 0.00 N ATOM 701 CA PHE A 50 0.575 -0.677 2.236 1.00 0.00 C ATOM 702 C PHE A 50 -0.507 -1.057 3.214 1.00 0.00 C ATOM 703 O PHE A 50 -0.430 -2.081 3.885 1.00 0.00 O ATOM 704 CB PHE A 50 0.166 -1.074 0.812 1.00 0.00 C ATOM 705 CG PHE A 50 -0.127 -2.543 0.636 1.00 0.00 C ATOM 706 CD1 PHE A 50 -1.410 -3.029 0.825 1.00 0.00 C ATOM 707 CD2 PHE A 50 0.875 -3.433 0.269 1.00 0.00 C ATOM 708 CE1 PHE A 50 -1.690 -4.372 0.657 1.00 0.00 C ATOM 709 CE2 PHE A 50 0.596 -4.782 0.098 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.687 -5.246 0.294 1.00 0.00 C ATOM 0 H PHE A 50 1.782 -2.258 2.840 1.00 0.00 H new ATOM 0 HA PHE A 50 0.699 0.405 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.718 -0.503 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.963 -0.790 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.201 -2.350 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.881 -3.072 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.695 -4.737 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.382 -5.466 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.907 -6.295 0.163 1.00 0.00 H new ATOM 719 N PRO A 51 -1.544 -0.227 3.278 1.00 0.00 N ATOM 720 CA PRO A 51 -2.667 -0.434 4.165 1.00 0.00 C ATOM 721 C PRO A 51 -3.386 -1.748 3.942 1.00 0.00 C ATOM 722 O PRO A 51 -3.037 -2.579 3.104 1.00 0.00 O ATOM 723 CB PRO A 51 -3.636 0.703 3.846 1.00 0.00 C ATOM 724 CG PRO A 51 -2.821 1.733 3.153 1.00 0.00 C ATOM 725 CD PRO A 51 -1.727 0.986 2.448 1.00 0.00 C ATOM 0 HA PRO A 51 -2.313 -0.455 5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.453 0.357 3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.085 1.103 4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.427 2.299 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.409 2.449 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.008 0.734 1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.812 1.575 2.391 1.00 0.00 H new ATOM 730 N SER A 52 -4.403 -1.868 4.763 1.00 0.00 N ATOM 731 CA SER A 52 -5.228 -3.058 4.568 1.00 0.00 C ATOM 732 C SER A 52 -6.692 -2.745 4.444 1.00 0.00 C ATOM 733 O SER A 52 -7.472 -3.538 3.916 1.00 0.00 O ATOM 734 CB SER A 52 -4.921 -4.127 5.618 1.00 0.00 C ATOM 735 OG SER A 52 -5.763 -5.254 5.460 1.00 0.00 O ATOM 0 H SER A 52 -4.672 -1.227 5.510 1.00 0.00 H new ATOM 0 HA SER A 52 -4.954 -3.482 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.878 -4.434 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.052 -3.709 6.616 1.00 0.00 H new ATOM 0 HG SER A 52 -5.348 -5.887 4.838 1.00 0.00 H new ATOM 740 N ASN A 53 -7.066 -1.578 4.934 1.00 0.00 N ATOM 741 CA ASN A 53 -8.411 -1.093 4.823 1.00 0.00 C ATOM 742 C ASN A 53 -8.564 -0.283 3.529 1.00 0.00 C ATOM 743 O ASN A 53 -9.672 -0.115 3.020 1.00 0.00 O ATOM 744 CB ASN A 53 -8.757 -0.259 6.060 1.00 0.00 C ATOM 745 CG ASN A 53 -8.109 1.115 6.038 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.065 1.310 5.416 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.727 2.074 6.718 1.00 0.00 N ATOM 0 H ASN A 53 -6.434 -0.943 5.422 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.108 -1.929 4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.839 -0.145 6.126 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.437 -0.793 6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.338 3.017 6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.591 1.868 7.220 1.00 0.00 H new ATOM 753 N TYR A 54 -7.424 0.224 2.996 1.00 0.00 N ATOM 754 CA TYR A 54 -7.408 1.003 1.758 1.00 0.00 C ATOM 755 C TYR A 54 -7.394 0.067 0.527 1.00 0.00 C ATOM 756 O TYR A 54 -7.591 0.510 -0.603 1.00 0.00 O ATOM 757 CB TYR A 54 -6.184 1.934 1.690 1.00 0.00 C ATOM 758 CG TYR A 54 -6.454 3.401 1.869 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.719 3.922 3.122 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.373 4.268 0.800 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.911 5.273 3.301 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.549 5.625 0.965 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.820 6.126 2.217 1.00 0.00 C ATOM 764 OH TYR A 54 -6.987 7.481 2.384 1.00 0.00 O ATOM 0 H TYR A 54 -6.504 0.099 3.417 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.313 1.611 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.473 1.621 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.698 1.791 0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.776 3.259 3.973 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.168 3.876 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.132 5.665 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.475 6.290 0.117 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.890 7.932 1.519 1.00 0.00 H new ATOM 773 N VAL A 55 -7.139 -1.240 0.761 1.00 0.00 N ATOM 774 CA VAL A 55 -7.050 -2.223 -0.334 1.00 0.00 C ATOM 775 C VAL A 55 -7.632 -3.588 0.032 1.00 0.00 C ATOM 776 O VAL A 55 -7.745 -3.940 1.206 1.00 0.00 O ATOM 777 CB VAL A 55 -5.592 -2.516 -0.757 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.877 -1.243 -1.163 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.834 -3.248 0.340 1.00 0.00 C ATOM 0 H VAL A 55 -6.993 -1.633 1.691 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.618 -1.752 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.624 -3.172 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.854 -1.478 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.399 -0.785 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.864 -0.549 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.812 -3.439 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.817 -2.635 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.329 -4.195 0.555 1.00 0.00 H new ATOM 789 N SER A 56 -7.996 -4.343 -0.994 1.00 0.00 N ATOM 790 CA SER A 56 -8.533 -5.686 -0.833 1.00 0.00 C ATOM 791 C SER A 56 -7.567 -6.723 -1.427 1.00 0.00 C ATOM 792 O SER A 56 -7.024 -6.519 -2.510 1.00 0.00 O ATOM 793 CB SER A 56 -9.878 -5.775 -1.533 1.00 0.00 C ATOM 794 OG SER A 56 -10.885 -6.253 -0.659 1.00 0.00 O ATOM 0 H SER A 56 -7.927 -4.040 -1.966 1.00 0.00 H new ATOM 0 HA SER A 56 -8.657 -5.896 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.159 -4.792 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.798 -6.437 -2.395 1.00 0.00 H new ATOM 0 HG SER A 56 -11.739 -6.298 -1.137 1.00 0.00 H new ATOM 799 N LEU A 57 -7.393 -7.848 -0.727 1.00 0.00 N ATOM 800 CA LEU A 57 -6.480 -8.894 -1.207 1.00 0.00 C ATOM 801 C LEU A 57 -7.151 -9.781 -2.246 1.00 0.00 C ATOM 802 O LEU A 57 -8.262 -10.273 -2.046 1.00 0.00 O ATOM 803 CB LEU A 57 -5.974 -9.773 -0.062 1.00 0.00 C ATOM 804 CG LEU A 57 -5.049 -9.086 0.944 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.688 -10.040 2.076 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.789 -8.585 0.256 1.00 0.00 C ATOM 0 H LEU A 57 -7.860 -8.057 0.155 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.634 -8.379 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.836 -10.168 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.446 -10.626 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.578 -8.231 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.029 -9.534 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.596 -10.356 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.180 -10.913 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.143 -8.099 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.260 -9.426 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.059 -7.870 -0.521 1.00 0.00 H new ATOM 817 N GLY A 58 -6.456 -9.972 -3.354 1.00 0.00 N ATOM 818 CA GLY A 58 -6.973 -10.780 -4.435 1.00 0.00 C ATOM 819 C GLY A 58 -6.778 -12.272 -4.208 1.00 0.00 C ATOM 820 O GLY A 58 -7.147 -13.078 -5.059 1.00 0.00 O ATOM 0 H GLY A 58 -5.532 -9.576 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.036 -10.573 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.481 -10.492 -5.364 1.00 0.00 H new ATOM 824 N ASN A 59 -6.218 -12.635 -3.049 1.00 0.00 N ATOM 825 CA ASN A 59 -5.964 -14.036 -2.709 1.00 0.00 C ATOM 826 C ASN A 59 -5.118 -14.141 -1.444 1.00 0.00 C ATOM 827 O ASN A 59 -5.465 -14.877 -0.523 1.00 0.00 O ATOM 828 CB ASN A 59 -5.266 -14.782 -3.854 1.00 0.00 C ATOM 829 CG ASN A 59 -3.919 -14.191 -4.216 1.00 0.00 C ATOM 830 OD1 ASN A 59 -3.643 -13.022 -3.942 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.071 -15.004 -4.840 1.00 0.00 N ATOM 0 H ASN A 59 -5.931 -11.973 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.934 -14.502 -2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.133 -15.826 -3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.910 -14.769 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.148 -14.666 -5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.344 -15.965 -5.046 1.00 0.00 H new