USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 422 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+ -167:sc= 0 (180deg=-0.0276) USER MOD Single : A 5 THR OG1 : rot 95:sc= 0.918 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -152:sc= 0.135 USER MOD Single : A 16 ASN : amide:sc= -0.271 K(o=-0.27,f=-3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0657 K(o=-0.066,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.17) USER MOD Single : A 46 SER OG : rot -73:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -75:sc= 1.18 USER MOD Single : A 53 ASN : amide:sc= -0.0199 K(o=-0.02,f=-3.9!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -125:sc= 0.767 USER MOD Single : A 59 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.446 -5.354 -13.228 1.00 1.00 N ATOM 2 CA ALA A 1 -0.988 -4.340 -12.242 1.00 1.00 C ATOM 3 C ALA A 1 -2.100 -3.343 -11.926 1.00 1.00 C ATOM 4 O ALA A 1 -2.104 -2.229 -12.452 1.00 1.00 O ATOM 5 CB ALA A 1 0.235 -3.607 -12.769 1.00 1.00 C ATOM 0 H1 ALA A 1 -0.764 -6.138 -13.262 1.00 1.00 H new ATOM 0 H2 ALA A 1 -2.378 -5.718 -12.944 1.00 1.00 H new ATOM 0 H3 ALA A 1 -1.517 -4.916 -14.169 1.00 1.00 H new ATOM 0 HA ALA A 1 -0.722 -4.860 -11.321 1.00 1.00 H new ATOM 0 HB1 ALA A 1 0.560 -2.868 -12.037 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.040 -4.321 -12.945 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -0.016 -3.106 -13.704 1.00 1.00 H new ATOM 11 N PRO A 2 -3.037 -3.677 -11.065 1.00 1.00 N ATOM 12 CA PRO A 2 -4.174 -2.853 -10.618 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.821 -9.619 1.00 1.00 C ATOM 14 O PRO A 2 -2.533 -1.808 -9.206 1.00 1.00 O ATOM 15 CB PRO A 2 -5.085 -3.891 -9.938 1.00 1.00 C ATOM 16 CG PRO A 2 -4.148 -4.827 -9.305 1.00 1.00 C ATOM 17 CD PRO A 2 -2.964 -4.900 -10.244 1.00 1.00 C ATOM 0 HA PRO A 2 -4.671 -2.301 -11.416 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.741 -3.425 -9.203 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.725 -4.395 -10.662 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.847 -4.475 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.603 -5.808 -9.169 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.946 -9.690 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.011 -5.794 -10.866 1.00 1.00 H new ATOM 25 N TRP A 3 -4.575 -0.902 -9.281 1.00 1.00 N ATOM 26 CA TRP A 3 -4.379 0.038 -8.189 1.00 1.00 C ATOM 27 C TRP A 3 -5.403 -0.231 -7.086 1.00 1.00 C ATOM 28 O TRP A 3 -6.381 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.450 1.483 -8.683 1.00 1.00 C ATOM 30 CG TRP A 3 -5.745 1.904 -9.342 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.035 1.853 -10.672 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.882 2.487 -8.713 1.00 1.00 C ATOM 33 NE1 TRP A 3 -7.286 2.359 -10.898 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.824 2.771 -9.719 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.186 2.841 -7.403 1.00 1.00 C ATOM 36 CZ2 TRP A 3 -9.070 3.341 -9.442 1.00 1.00 C ATOM 37 CZ3 TRP A 3 -8.413 3.415 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.333 3.653 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.465 -0.783 -9.765 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.381 -0.106 -7.775 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.267 2.144 -7.835 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.638 1.642 -9.392 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.375 1.470 -11.436 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.743 2.418 -11.808 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.477 2.670 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.792 3.524 -10.225 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.665 3.686 -6.130 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.284 4.100 -7.910 1.00 1.00 H new ATOM 49 N ALA A 4 -5.148 0.343 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.972 0.141 -4.759 1.00 1.00 C ATOM 51 C ALA A 4 -6.084 1.406 -3.931 1.00 1.00 C ATOM 52 O ALA A 4 -5.292 2.340 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.360 -0.971 -3.902 1.00 1.00 C ATOM 0 H ALA A 4 -4.356 0.967 -5.771 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.973 -0.136 -5.090 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.977 -1.130 -3.017 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.313 -1.893 -4.482 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.354 -0.683 -3.596 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.415 -3.044 1.00 1.00 N ATOM 60 CA THR A 5 -7.314 2.531 -2.140 1.00 1.00 C ATOM 61 C THR A 5 -7.135 2.033 -0.711 1.00 1.00 C ATOM 62 O THR A 5 -7.672 0.992 -0.335 1.00 1.00 O ATOM 63 CB THR A 5 -8.748 3.063 -2.314 1.00 1.00 C ATOM 64 OG1 THR A 5 -8.909 3.507 -3.668 1.00 1.00 O ATOM 65 CG2 THR A 5 -8.992 4.260 -1.426 1.00 1.00 C ATOM 0 H THR A 5 -7.712 0.639 -2.926 1.00 1.00 H new ATOM 0 HA THR A 5 -6.619 3.341 -2.362 1.00 1.00 H new ATOM 0 HB THR A 5 -9.443 2.264 -2.057 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.304 2.787 -4.204 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.012 4.616 -1.568 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.849 3.975 -0.384 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.291 5.054 -1.684 1.00 1.00 H new ATOM 73 N ALA A 6 -6.334 2.743 0.068 1.00 1.00 N ATOM 74 CA ALA A 6 -6.093 2.346 1.444 1.00 1.00 C ATOM 75 C ALA A 6 -7.361 2.475 2.263 1.00 1.00 C ATOM 76 O ALA A 6 -8.102 3.460 2.172 1.00 1.00 O ATOM 77 CB ALA A 6 -5.013 3.233 2.043 1.00 1.00 C ATOM 0 H ALA A 6 -5.845 3.588 -0.226 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.770 1.305 1.458 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.830 2.937 3.076 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.094 3.126 1.467 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.340 4.273 2.016 1.00 1.00 H new ATOM 83 N GLU A 7 -7.605 1.466 3.086 1.00 1.00 N ATOM 84 CA GLU A 7 -8.778 1.472 3.956 1.00 1.00 C ATOM 85 C GLU A 7 -8.413 1.848 5.386 1.00 1.00 C ATOM 86 O GLU A 7 -9.288 2.268 6.145 1.00 1.00 O ATOM 87 CB GLU A 7 -9.388 0.086 3.971 1.00 1.00 C ATOM 88 CG GLU A 7 -9.933 -0.371 2.631 1.00 1.00 C ATOM 89 CD GLU A 7 -11.054 0.521 2.130 1.00 1.00 C ATOM 90 OE1 GLU A 7 -12.023 0.735 2.891 1.00 1.00 O ATOM 91 OE2 GLU A 7 -10.955 1.032 0.986 1.00 1.00 O ATOM 0 H GLU A 7 -7.014 0.639 3.172 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.480 2.210 3.568 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -8.634 -0.626 4.305 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -10.194 0.065 4.704 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -9.126 -0.383 1.898 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -10.298 -1.394 2.720 1.00 1.00 H new ATOM 98 N TYR A 8 -7.139 1.690 5.750 1.00 1.00 N ATOM 99 CA TYR A 8 -6.655 1.991 7.094 1.00 1.00 C ATOM 100 C TYR A 8 -5.321 2.678 6.934 1.00 1.00 C ATOM 101 O TYR A 8 -4.592 2.383 5.986 1.00 1.00 O ATOM 102 CB TYR A 8 -6.476 0.708 7.928 1.00 1.00 C ATOM 103 CG TYR A 8 -7.764 -0.038 8.161 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.185 -0.963 7.232 1.00 1.00 C ATOM 105 CD2 TYR A 8 -8.512 0.116 9.325 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.349 -1.693 7.395 1.00 1.00 C ATOM 107 CE2 TYR A 8 -9.685 -0.635 9.515 1.00 1.00 C ATOM 108 CZ TYR A 8 -10.072 -1.542 8.539 1.00 1.00 C ATOM 109 OH TYR A 8 -11.236 -2.287 8.679 1.00 1.00 O ATOM 0 H TYR A 8 -6.414 1.349 5.118 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.375 2.620 7.617 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.770 0.050 7.422 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -6.036 0.968 8.891 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -7.587 -1.124 6.347 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -8.190 0.814 10.084 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -9.680 -2.374 6.625 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -10.277 -0.508 10.409 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.653 -2.083 9.542 1.00 1.00 H new ATOM 119 N ASP A 9 -4.961 3.532 7.873 1.00 1.00 N ATOM 120 CA ASP A 9 -3.666 4.191 7.857 1.00 1.00 C ATOM 121 C ASP A 9 -2.577 3.145 8.090 1.00 1.00 C ATOM 122 O ASP A 9 -2.686 2.356 9.042 1.00 1.00 O ATOM 123 CB ASP A 9 -3.513 5.208 9.008 1.00 1.00 C ATOM 124 CG ASP A 9 -2.301 6.090 8.935 1.00 1.00 C ATOM 125 OD1 ASP A 9 -1.306 5.664 8.301 1.00 1.00 O ATOM 126 OD2 ASP A 9 -2.258 7.206 9.482 1.00 1.00 O ATOM 0 H ASP A 9 -5.552 3.788 8.664 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.582 4.698 6.896 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -4.400 5.841 9.031 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -3.487 4.662 9.951 1.00 1.00 H new ATOM 131 N TYR A 10 -1.526 3.153 7.280 1.00 1.00 N ATOM 132 CA TYR A 10 -0.404 2.236 7.453 1.00 1.00 C ATOM 133 C TYR A 10 0.867 3.029 7.294 1.00 1.00 C ATOM 134 O TYR A 10 1.009 3.810 6.344 1.00 1.00 O ATOM 135 CB TYR A 10 -0.389 1.063 6.464 1.00 1.00 C ATOM 136 CG TYR A 10 0.879 0.260 6.635 1.00 1.00 C ATOM 137 CD1 TYR A 10 1.032 -0.573 7.725 1.00 1.00 C ATOM 138 CD2 TYR A 10 1.958 0.404 5.782 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.197 -1.244 7.967 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.136 -0.284 6.009 1.00 1.00 C ATOM 141 CZ TYR A 10 3.253 -1.090 7.097 1.00 1.00 C ATOM 142 OH TYR A 10 4.424 -1.772 7.385 1.00 1.00 O ATOM 0 H TYR A 10 -1.426 3.790 6.490 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.500 1.791 8.443 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.258 0.426 6.629 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.458 1.437 5.442 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.205 -0.698 8.408 1.00 1.00 H new ATOM 0 HD2 TYR A 10 1.880 1.061 4.929 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.289 -1.887 8.830 1.00 1.00 H new ATOM 0 HE2 TYR A 10 3.963 -0.181 5.322 1.00 1.00 H new ATOM 0 HH TYR A 10 5.187 -1.285 7.009 1.00 1.00 H new ATOM 152 N ASP A 11 1.760 2.852 8.251 1.00 1.00 N ATOM 153 CA ASP A 11 3.042 3.534 8.230 1.00 1.00 C ATOM 154 C ASP A 11 4.175 2.539 8.059 1.00 1.00 C ATOM 155 O ASP A 11 4.202 1.508 8.741 1.00 1.00 O ATOM 156 CB ASP A 11 3.264 4.269 9.549 1.00 1.00 C ATOM 157 CG ASP A 11 2.350 5.454 9.735 1.00 1.00 C ATOM 158 OD1 ASP A 11 1.724 5.902 8.768 1.00 1.00 O ATOM 159 OD2 ASP A 11 2.246 6.029 10.840 1.00 1.00 O ATOM 0 H ASP A 11 1.621 2.240 9.055 1.00 1.00 H new ATOM 0 HA ASP A 11 3.032 4.235 7.396 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.116 3.572 10.374 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.299 4.607 9.599 1.00 1.00 H new ATOM 164 N ALA A 12 5.117 2.831 7.182 1.00 1.00 N ATOM 165 CA ALA A 12 6.234 1.922 7.017 1.00 1.00 C ATOM 166 C ALA A 12 7.109 1.901 8.257 1.00 1.00 C ATOM 167 O ALA A 12 7.444 2.931 8.820 1.00 1.00 O ATOM 168 CB ALA A 12 7.088 2.348 5.846 1.00 1.00 C ATOM 0 H ALA A 12 5.134 3.662 6.591 1.00 1.00 H new ATOM 0 HA ALA A 12 5.822 0.928 6.844 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.923 1.656 5.734 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.487 2.342 4.936 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.471 3.353 6.021 1.00 1.00 H new ATOM 174 N ALA A 13 7.548 0.706 8.618 1.00 1.00 N ATOM 175 CA ALA A 13 8.468 0.512 9.726 1.00 1.00 C ATOM 176 C ALA A 13 9.852 0.162 9.206 1.00 1.00 C ATOM 177 O ALA A 13 10.781 0.000 9.988 1.00 1.00 O ATOM 178 CB ALA A 13 7.969 -0.594 10.660 1.00 1.00 C ATOM 0 H ALA A 13 7.276 -0.158 8.150 1.00 1.00 H new ATOM 0 HA ALA A 13 8.523 1.444 10.289 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.674 -0.722 11.482 1.00 1.00 H new ATOM 0 HB2 ALA A 13 6.992 -0.320 11.059 1.00 1.00 H new ATOM 0 HB3 ALA A 13 7.886 -1.529 10.105 1.00 1.00 H new ATOM 184 N GLU A 14 9.993 -0.010 7.896 1.00 1.00 N ATOM 185 CA GLU A 14 11.272 -0.374 7.295 1.00 1.00 C ATOM 186 C GLU A 14 11.532 0.558 6.134 1.00 1.00 C ATOM 187 O GLU A 14 10.605 1.199 5.625 1.00 1.00 O ATOM 188 CB GLU A 14 11.289 -1.826 6.780 1.00 1.00 C ATOM 189 CG GLU A 14 11.200 -2.900 7.831 1.00 1.00 C ATOM 190 CD GLU A 14 12.388 -2.943 8.787 1.00 1.00 C ATOM 191 OE1 GLU A 14 13.465 -2.420 8.437 1.00 1.00 O ATOM 192 OE2 GLU A 14 12.229 -3.525 9.878 1.00 1.00 O ATOM 0 H GLU A 14 9.232 0.098 7.226 1.00 1.00 H new ATOM 0 HA GLU A 14 12.042 -0.289 8.062 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.458 -1.954 6.086 1.00 1.00 H new ATOM 0 HB3 GLU A 14 12.206 -1.978 6.210 1.00 1.00 H new ATOM 0 HG2 GLU A 14 10.288 -2.751 8.410 1.00 1.00 H new ATOM 0 HG3 GLU A 14 11.110 -3.868 7.338 1.00 1.00 H new ATOM 199 N ASP A 15 12.763 0.565 5.628 1.00 1.00 N ATOM 200 CA ASP A 15 13.122 1.410 4.504 1.00 1.00 C ATOM 201 C ASP A 15 12.438 1.028 3.206 1.00 1.00 C ATOM 202 O ASP A 15 12.111 1.902 2.420 1.00 1.00 O ATOM 203 CB ASP A 15 14.626 1.395 4.267 1.00 1.00 C ATOM 204 CG ASP A 15 15.355 2.385 5.123 1.00 1.00 C ATOM 205 OD1 ASP A 15 15.140 3.615 5.001 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.238 2.013 5.920 1.00 1.00 O ATOM 0 H ASP A 15 13.527 -0.009 5.984 1.00 1.00 H new ATOM 0 HA ASP A 15 12.781 2.406 4.784 1.00 1.00 H new ATOM 0 HB2 ASP A 15 15.011 0.395 4.466 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.827 1.611 3.218 1.00 1.00 H new ATOM 211 N ASN A 16 12.205 -0.269 3.000 1.00 1.00 N ATOM 212 CA ASN A 16 11.564 -0.743 1.770 1.00 1.00 C ATOM 213 C ASN A 16 10.036 -0.772 1.823 1.00 1.00 C ATOM 214 O ASN A 16 9.408 -1.235 0.876 1.00 1.00 O ATOM 215 CB ASN A 16 12.121 -2.123 1.363 1.00 1.00 C ATOM 216 CG ASN A 16 11.805 -3.204 2.360 1.00 1.00 C ATOM 217 OD1 ASN A 16 11.139 -2.995 3.336 1.00 1.00 O ATOM 218 ND2 ASN A 16 12.300 -4.418 2.090 1.00 1.00 N ATOM 0 H ASN A 16 12.448 -1.006 3.662 1.00 1.00 H new ATOM 0 HA ASN A 16 11.815 -0.006 1.008 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.711 -2.402 0.392 1.00 1.00 H new ATOM 0 HB3 ASN A 16 13.202 -2.051 1.244 1.00 1.00 H new ATOM 0 HD21 ASN A 16 12.114 -5.197 2.722 1.00 1.00 H new ATOM 0 HD22 ASN A 16 12.863 -4.564 1.252 1.00 1.00 H new ATOM 225 N GLU A 17 9.440 -0.232 2.889 1.00 1.00 N ATOM 226 CA GLU A 17 7.989 -0.209 3.045 1.00 1.00 C ATOM 227 C GLU A 17 7.399 1.157 2.765 1.00 1.00 C ATOM 228 O GLU A 17 8.045 2.189 2.972 1.00 1.00 O ATOM 229 CB GLU A 17 7.619 -0.607 4.472 1.00 1.00 C ATOM 230 CG GLU A 17 7.925 -2.063 4.741 1.00 1.00 C ATOM 231 CD GLU A 17 7.691 -2.492 6.163 1.00 1.00 C ATOM 232 OE1 GLU A 17 7.362 -1.617 6.995 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.846 -3.693 6.453 1.00 1.00 O ATOM 0 H GLU A 17 9.948 0.198 3.662 1.00 1.00 H new ATOM 0 HA GLU A 17 7.581 -0.914 2.321 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.167 0.017 5.178 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.558 -0.421 4.639 1.00 1.00 H new ATOM 0 HG2 GLU A 17 7.312 -2.679 4.083 1.00 1.00 H new ATOM 0 HG3 GLU A 17 8.966 -2.257 4.482 1.00 1.00 H new ATOM 240 N LEU A 18 6.159 1.165 2.268 1.00 1.00 N ATOM 241 CA LEU A 18 5.435 2.406 2.000 1.00 1.00 C ATOM 242 C LEU A 18 4.638 2.828 3.224 1.00 1.00 C ATOM 243 O LEU A 18 4.062 2.001 3.939 1.00 1.00 O ATOM 244 CB LEU A 18 4.425 2.199 0.879 1.00 1.00 C ATOM 245 CG LEU A 18 4.949 2.057 -0.542 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.848 1.663 -1.518 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.546 3.359 -0.956 1.00 1.00 C ATOM 0 H LEU A 18 5.635 0.319 2.043 1.00 1.00 H new ATOM 0 HA LEU A 18 6.174 3.161 1.731 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.847 1.305 1.112 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.731 3.040 0.896 1.00 1.00 H new ATOM 0 HG LEU A 18 5.696 1.264 -0.560 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.266 1.573 -2.521 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.419 0.708 -1.216 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.070 2.427 -1.517 1.00 1.00 H new ATOM 0 HD21 LEU A 18 5.928 3.277 -1.974 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.784 4.138 -0.916 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.363 3.616 -0.282 1.00 1.00 H new ATOM 259 N THR A 19 4.600 4.124 3.433 1.00 1.00 N ATOM 260 CA THR A 19 3.827 4.779 4.475 1.00 1.00 C ATOM 261 C THR A 19 2.702 5.518 3.758 1.00 1.00 C ATOM 262 O THR A 19 2.954 6.175 2.764 1.00 1.00 O ATOM 263 CB THR A 19 4.692 5.783 5.253 1.00 1.00 C ATOM 264 OG1 THR A 19 3.875 6.437 6.221 1.00 1.00 O ATOM 265 CG2 THR A 19 5.277 6.876 4.351 1.00 1.00 C ATOM 0 H THR A 19 5.128 4.782 2.860 1.00 1.00 H new ATOM 0 HA THR A 19 3.450 4.053 5.195 1.00 1.00 H new ATOM 0 HB THR A 19 5.510 5.221 5.704 1.00 1.00 H new ATOM 0 HG1 THR A 19 4.416 7.079 6.726 1.00 1.00 H new ATOM 0 HG21 THR A 19 5.879 7.559 4.950 1.00 1.00 H new ATOM 0 HG22 THR A 19 5.902 6.419 3.584 1.00 1.00 H new ATOM 0 HG23 THR A 19 4.466 7.429 3.877 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.365 4.238 1.00 1.00 N ATOM 274 CA PHE A 20 0.344 5.993 3.596 1.00 1.00 C ATOM 275 C PHE A 20 -0.776 6.171 4.582 1.00 1.00 C ATOM 276 O PHE A 20 -0.719 5.617 5.669 1.00 1.00 O ATOM 277 CB PHE A 20 -0.095 5.222 2.352 1.00 1.00 C ATOM 278 CG PHE A 20 -0.393 3.760 2.576 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.574 3.330 3.168 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.490 2.804 2.115 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.846 1.986 3.310 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.216 1.456 2.253 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.946 1.052 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.248 4.814 5.065 1.00 1.00 H new ATOM 0 HA PHE A 20 0.644 6.982 3.251 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.985 5.700 1.943 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.687 5.306 1.597 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.289 4.058 3.522 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.409 3.114 1.639 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.767 1.668 3.775 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.916 0.722 1.883 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.153 -0.001 2.984 1.00 1.00 H new ATOM 293 N VAL A 21 -1.797 6.933 4.194 1.00 1.00 N ATOM 294 CA VAL A 21 -2.966 7.141 5.033 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.314 1.00 1.00 C ATOM 296 O VAL A 21 -4.214 6.497 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.130 8.621 5.457 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.019 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.193 9.530 4.252 1.00 1.00 C ATOM 0 H VAL A 21 -1.834 7.418 3.297 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.823 6.564 5.946 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.075 8.730 5.990 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.122 10.061 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.024 8.386 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.895 5.888 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.308 10.563 4.581 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.273 9.433 3.675 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.043 9.250 3.629 1.00 1.00 H new ATOM 309 N GLU A 22 -5.265 6.414 5.082 1.00 1.00 N ATOM 310 CA GLU A 22 -6.547 6.010 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.902 6.908 3.385 1.00 1.00 C ATOM 312 O GLU A 22 -6.740 8.133 3.435 1.00 1.00 O ATOM 313 CB GLU A 22 -7.616 6.163 5.668 1.00 1.00 C ATOM 314 CG GLU A 22 -8.950 5.504 5.284 1.00 1.00 C ATOM 315 CD GLU A 22 -10.082 5.740 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.812 6.304 7.342 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.237 5.354 5.973 1.00 1.00 O ATOM 0 H GLU A 22 -5.244 6.500 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.509 4.969 4.243 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.247 5.719 6.592 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.781 7.222 5.867 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.255 5.876 4.306 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.793 4.430 5.182 1.00 1.00 H new ATOM 324 N ASN A 23 -7.414 6.289 2.335 1.00 1.00 N ATOM 325 CA ASN A 23 -7.824 6.942 1.102 1.00 1.00 C ATOM 326 C ASN A 23 -6.736 7.274 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.043 7.592 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.748 8.110 1.337 1.00 1.00 C ATOM 329 CG ASN A 23 -10.058 7.659 1.908 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.582 6.594 1.542 1.00 1.00 O ATOM 331 ND2 ASN A 23 -10.578 8.430 2.856 1.00 1.00 N ATOM 0 H ASN A 23 -7.561 5.280 2.317 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.388 6.156 0.600 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.819 2.018 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.920 8.636 0.398 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.445 8.156 3.318 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.110 9.296 3.122 1.00 1.00 H new ATOM 338 N ASP A 24 -5.480 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.245 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.522 6.088 -1.482 1.00 1.00 C ATOM 341 O ASP A 24 -4.906 4.987 -1.112 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.175 0.154 1.00 1.00 C ATOM 343 CG ASP A 24 -2.644 8.404 0.894 1.00 1.00 C ATOM 344 OD1 ASP A 24 -3.307 9.463 0.749 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.618 8.338 1.633 1.00 1.00 O ATOM 0 H ASP A 24 -5.172 6.925 1.445 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.535 8.207 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.016 6.329 0.841 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.293 6.977 -0.618 1.00 1.00 H new ATOM 350 N LYS A 25 -4.155 6.328 -2.725 1.00 1.00 N ATOM 351 CA LYS A 25 -4.118 5.298 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.711 4.721 -3.910 1.00 1.00 C ATOM 353 O LYS A 25 -1.716 5.439 -3.814 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.850 -5.071 1.00 1.00 C ATOM 355 CG LYS A 25 -6.089 6.168 -5.058 1.00 1.00 C ATOM 356 CD LYS A 25 -6.507 6.701 -6.436 1.00 1.00 C ATOM 357 CE LYS A 25 -8.005 6.980 -6.518 1.00 1.00 C ATOM 358 NZ LYS A 25 -8.384 7.544 -7.868 1.00 1.00 N ATOM 0 H LYS A 25 -3.872 7.249 -3.059 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.778 4.493 -3.419 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.049 6.753 -5.314 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.404 5.126 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.662 5.274 -4.812 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.307 6.908 -4.288 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.957 7.617 -6.651 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.232 5.976 -7.202 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.559 6.059 -6.337 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.290 7.682 -5.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 -9.408 7.724 -7.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.435 -8.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.133 6.862 -8.612 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.412 -4.082 1.00 1.00 N ATOM 373 CA ILE A 26 -1.400 2.690 -4.299 1.00 1.00 C ATOM 374 C ILE A 26 -1.567 2.085 -5.686 1.00 1.00 C ATOM 375 O ILE A 26 -2.536 1.374 -5.948 1.00 1.00 O ATOM 376 CB ILE A 26 -1.196 1.589 -3.255 1.00 1.00 C ATOM 377 CG1 ILE A 26 -1.015 2.168 -1.871 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.804 -3.626 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.269 2.480 -1.058 1.00 1.00 C ATOM 0 H ILE A 26 -3.470 2.810 -4.075 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.529 3.340 -4.215 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.077 0.948 -3.245 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.407 1.471 -1.294 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.440 3.089 -1.966 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.226 0.013 -2.894 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.063 0.363 -4.615 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.634 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.982 2.889 -0.089 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.878 3.209 -1.593 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.844 1.566 -0.910 1.00 1.00 H new ATOM 391 N ILE A 27 -0.627 2.363 -6.574 1.00 1.00 N ATOM 392 CA ILE A 27 -0.736 1.998 -7.974 1.00 1.00 C ATOM 393 C ILE A 27 0.331 0.992 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.755 -7.668 1.00 1.00 O ATOM 395 CB ILE A 27 -0.693 3.260 -8.883 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.705 3.854 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.700 4.302 -8.402 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.811 4.958 -10.013 1.00 1.00 C ATOM 0 H ILE A 27 0.238 2.851 -6.341 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.703 1.514 -8.107 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.967 2.951 -9.892 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.974 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.423 3.065 -9.177 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.655 5.177 -9.050 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.704 3.879 -8.432 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.460 4.595 -7.380 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.827 5.353 -10.027 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.569 4.546 -10.993 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.113 5.760 -9.774 1.00 1.00 H new ATOM 410 N ASN A 28 0.141 0.386 -9.546 1.00 1.00 N ATOM 411 CA ASN A 28 1.085 -0.589 -10.099 1.00 1.00 C ATOM 412 C ASN A 28 1.420 -1.661 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.002 -8.847 1.00 1.00 O ATOM 414 CB ASN A 28 2.351 0.072 -10.609 1.00 1.00 C ATOM 415 CG ASN A 28 2.068 1.080 -11.728 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.192 0.852 -12.558 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.692 2.253 -11.654 1.00 1.00 N ATOM 0 H ASN A 28 -0.673 0.552 -10.138 1.00 1.00 H new ATOM 0 HA ASN A 28 0.594 -1.060 -10.950 1.00 1.00 H new ATOM 0 HB2 ASN A 28 2.852 0.579 -9.784 1.00 1.00 H new ATOM 0 HB3 ASN A 28 3.036 -0.693 -10.976 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.448 3.002 -12.301 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.415 2.403 -10.950 1.00 1.00 H new ATOM 424 N ILE A 29 0.384 -2.244 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.585 -3.272 -7.512 1.00 1.00 C ATOM 426 C ILE A 29 1.160 -4.531 -8.140 1.00 1.00 C ATOM 427 O ILE A 29 0.653 -5.042 -9.138 1.00 1.00 O ATOM 428 CB ILE A 29 -0.727 -3.561 -6.792 1.00 1.00 C ATOM 429 CG1 ILE A 29 -1.143 -2.292 -6.054 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.613 -4.747 -5.826 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.524 -2.305 -5.481 1.00 1.00 C ATOM 0 H ILE A 29 -0.591 -2.026 -8.713 1.00 1.00 H new ATOM 0 HA ILE A 29 1.308 -2.915 -6.779 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.483 -3.844 -7.524 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.434 -2.114 -5.245 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -1.061 -1.450 -6.741 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.574 -4.912 -5.338 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.329 -5.642 -6.380 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.144 -4.531 -5.072 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.718 -1.357 -4.979 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.249 -2.446 -6.282 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.613 -3.121 -4.764 1.00 1.00 H new ATOM 443 N GLU A 30 2.242 -5.002 -7.536 1.00 1.00 N ATOM 444 CA GLU A 30 2.939 -6.198 -7.948 1.00 1.00 C ATOM 445 C GLU A 30 2.756 -7.223 -6.845 1.00 1.00 C ATOM 446 O GLU A 30 3.063 -6.966 -5.681 1.00 1.00 O ATOM 447 CB GLU A 30 4.413 -5.872 -8.246 1.00 1.00 C ATOM 448 CG GLU A 30 4.469 -4.857 -9.395 1.00 1.00 C ATOM 449 CD GLU A 30 3.927 -5.300 -10.756 1.00 1.00 C ATOM 450 OE1 GLU A 30 3.676 -6.502 -10.990 1.00 1.00 O ATOM 451 OE2 GLU A 30 3.637 -4.407 -11.567 1.00 1.00 O ATOM 0 H GLU A 30 2.665 -4.547 -6.727 1.00 1.00 H new ATOM 0 HA GLU A 30 2.538 -6.610 -8.874 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.897 -5.465 -7.358 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.954 -6.779 -8.516 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.918 -3.969 -9.086 1.00 1.00 H new ATOM 0 HG3 GLU A 30 5.508 -4.557 -9.528 1.00 1.00 H new ATOM 458 N PHE A 31 2.211 -8.379 -7.214 1.00 1.00 N ATOM 459 CA PHE A 31 1.880 -9.426 -6.261 1.00 1.00 C ATOM 460 C PHE A 31 3.158 -10.130 -5.830 1.00 1.00 C ATOM 461 O PHE A 31 3.390 -11.294 -6.143 1.00 1.00 O ATOM 462 CB PHE A 31 0.873 -10.387 -6.896 1.00 1.00 C ATOM 463 CG PHE A 31 -0.488 -9.760 -7.095 1.00 1.00 C ATOM 464 CD1 PHE A 31 -0.771 -9.071 -8.239 1.00 1.00 C ATOM 465 CD2 PHE A 31 -1.457 -9.832 -6.118 1.00 1.00 C ATOM 466 CE1 PHE A 31 -2.027 -8.476 -8.437 1.00 1.00 C ATOM 467 CE2 PHE A 31 -2.691 -9.253 -6.312 1.00 1.00 C ATOM 468 CZ PHE A 31 -2.969 -8.572 -7.458 1.00 1.00 C ATOM 0 H PHE A 31 1.988 -8.613 -8.181 1.00 1.00 H new ATOM 0 HA PHE A 31 1.416 -9.006 -5.369 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.257 -10.725 -7.859 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.773 -11.270 -6.265 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -0.015 -8.982 -9.005 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -1.247 -10.347 -5.192 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -2.244 -7.949 -9.354 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -3.448 -9.340 -5.546 1.00 1.00 H new ATOM 0 HZ PHE A 31 -3.935 -8.109 -7.590 1.00 1.00 H new ATOM 478 N VAL A 32 3.958 -9.444 -5.030 1.00 1.00 N ATOM 479 CA VAL A 32 5.213 -10.017 -4.546 1.00 1.00 C ATOM 480 C VAL A 32 5.031 -11.187 -3.604 1.00 1.00 C ATOM 481 O VAL A 32 5.698 -12.190 -3.773 1.00 1.00 O ATOM 482 CB VAL A 32 6.110 -8.956 -3.857 1.00 1.00 C ATOM 483 CG1 VAL A 32 7.305 -9.617 -3.187 1.00 1.00 C ATOM 484 CG2 VAL A 32 6.561 -7.892 -4.839 1.00 1.00 C ATOM 0 H VAL A 32 3.767 -8.497 -4.702 1.00 1.00 H new ATOM 0 HA VAL A 32 5.703 -10.388 -5.446 1.00 1.00 H new ATOM 0 HB VAL A 32 5.514 -8.464 -3.088 1.00 1.00 H new ATOM 0 HG11 VAL A 32 7.922 -8.856 -2.710 1.00 1.00 H new ATOM 0 HG12 VAL A 32 6.955 -10.325 -2.435 1.00 1.00 H new ATOM 0 HG13 VAL A 32 7.896 -10.145 -3.935 1.00 1.00 H new ATOM 0 HG21 VAL A 32 7.188 -7.164 -4.324 1.00 1.00 H new ATOM 0 HG22 VAL A 32 7.131 -8.357 -5.643 1.00 1.00 H new ATOM 0 HG23 VAL A 32 5.689 -7.389 -5.256 1.00 1.00 H new ATOM 494 N ASP A 33 4.119 -11.078 -2.650 1.00 1.00 N ATOM 495 CA ASP A 33 3.823 -12.137 -1.696 1.00 1.00 C ATOM 496 C ASP A 33 2.309 -12.130 -1.486 1.00 1.00 C ATOM 497 O ASP A 33 1.654 -11.160 -1.827 1.00 1.00 O ATOM 498 CB ASP A 33 4.593 -11.862 -0.402 1.00 1.00 C ATOM 499 CG ASP A 33 4.274 -12.843 0.685 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.708 -14.017 0.561 1.00 1.00 O ATOM 501 OD2 ASP A 33 3.602 -12.501 1.697 1.00 1.00 O ATOM 0 H ASP A 33 3.555 -10.239 -2.514 1.00 1.00 H new ATOM 0 HA ASP A 33 4.130 -13.121 -2.050 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.663 -11.891 -0.608 1.00 1.00 H new ATOM 0 HB3 ASP A 33 4.363 -10.855 -0.055 1.00 1.00 H new ATOM 506 N ASP A 34 1.755 -13.217 -0.930 1.00 1.00 N ATOM 507 CA ASP A 34 0.320 -13.317 -0.685 1.00 1.00 C ATOM 508 C ASP A 34 -0.139 -12.312 0.365 1.00 1.00 C ATOM 509 O ASP A 34 -1.251 -11.808 0.311 1.00 1.00 O ATOM 510 CB ASP A 34 -0.066 -14.705 -0.143 1.00 1.00 C ATOM 511 CG ASP A 34 0.655 -15.075 1.116 1.00 1.00 C ATOM 512 OD1 ASP A 34 1.862 -14.821 1.249 1.00 1.00 O ATOM 513 OD2 ASP A 34 0.061 -15.675 2.035 1.00 1.00 O ATOM 0 H ASP A 34 2.286 -14.039 -0.643 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.155 -13.125 -1.647 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -1.140 -14.728 0.042 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.142 -15.455 -0.906 1.00 1.00 H new ATOM 518 N ASP A 35 0.714 -12.049 1.349 1.00 1.00 N ATOM 519 CA ASP A 35 0.389 -11.162 2.465 1.00 1.00 C ATOM 520 C ASP A 35 0.804 -9.712 2.276 1.00 1.00 C ATOM 521 O ASP A 35 0.106 -8.793 2.725 1.00 1.00 O ATOM 522 CB ASP A 35 1.041 -11.714 3.745 1.00 1.00 C ATOM 523 CG ASP A 35 0.730 -13.170 3.936 1.00 1.00 C ATOM 524 OD1 ASP A 35 -0.476 -13.489 3.919 1.00 1.00 O ATOM 525 OD2 ASP A 35 1.600 -14.067 4.054 1.00 1.00 O ATOM 0 H ASP A 35 1.653 -12.445 1.397 1.00 1.00 H new ATOM 0 HA ASP A 35 -0.699 -11.148 2.531 1.00 1.00 H new ATOM 0 HB2 ASP A 35 2.121 -11.575 3.694 1.00 1.00 H new ATOM 0 HB3 ASP A 35 0.688 -11.149 4.608 1.00 1.00 H new ATOM 530 N TRP A 36 1.955 -9.515 1.662 1.00 1.00 N ATOM 531 CA TRP A 36 2.494 -8.193 1.440 1.00 1.00 C ATOM 532 C TRP A 36 2.512 -7.948 -0.054 1.00 1.00 C ATOM 533 O TRP A 36 2.924 -8.828 -0.814 1.00 1.00 O ATOM 534 CB TRP A 36 3.911 -8.106 1.985 1.00 1.00 C ATOM 535 CG TRP A 36 3.961 -7.957 3.463 1.00 1.00 C ATOM 536 CD1 TRP A 36 3.689 -8.910 4.399 1.00 1.00 C ATOM 537 CD2 TRP A 36 4.250 -6.758 4.177 1.00 1.00 C ATOM 538 NE1 TRP A 36 3.812 -8.374 5.659 1.00 1.00 N ATOM 539 CE2 TRP A 36 4.171 -7.053 5.553 1.00 1.00 C ATOM 540 CE3 TRP A 36 4.630 -5.479 3.798 1.00 1.00 C ATOM 541 CZ2 TRP A 36 4.427 -6.090 6.542 1.00 1.00 C ATOM 542 CZ3 TRP A 36 4.896 -4.545 4.779 1.00 1.00 C ATOM 543 CH2 TRP A 36 4.798 -4.855 6.125 1.00 1.00 C ATOM 0 H TRP A 36 2.541 -10.269 1.304 1.00 1.00 H new ATOM 0 HA TRP A 36 1.883 -7.447 1.949 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.460 -9.003 1.698 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.420 -7.260 1.523 1.00 1.00 H new ATOM 0 HD1 TRP A 36 3.418 -9.933 4.183 1.00 1.00 H new ATOM 0 HE1 TRP A 36 3.661 -8.877 6.533 1.00 1.00 H new ATOM 0 HE3 TRP A 36 4.716 -5.218 2.753 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 4.332 -6.324 7.592 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 5.188 -3.546 4.489 1.00 1.00 H new ATOM 0 HH2 TRP A 36 5.022 -4.095 6.859 1.00 1.00 H new ATOM 554 N TRP A 37 2.073 -6.759 -0.464 1.00 1.00 N ATOM 555 CA TRP A 37 2.046 -6.369 -1.847 1.00 1.00 C ATOM 556 C TRP A 37 3.024 -5.232 -2.037 1.00 1.00 C ATOM 557 O TRP A 37 3.261 -4.442 -1.136 1.00 1.00 O ATOM 558 CB TRP A 37 0.662 -5.941 -2.304 1.00 1.00 C ATOM 559 CG TRP A 37 -0.364 -7.046 -2.271 1.00 1.00 C ATOM 560 CD1 TRP A 37 -0.131 -8.363 -2.012 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.772 -6.935 -2.525 1.00 1.00 C ATOM 562 NE1 TRP A 37 -1.302 -9.081 -2.096 1.00 1.00 N ATOM 563 CE2 TRP A 37 -2.324 -8.230 -2.403 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.617 -5.881 -2.834 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -3.670 -8.487 -2.589 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.967 -6.155 -3.033 1.00 1.00 C ATOM 567 CH2 TRP A 37 -4.470 -7.441 -2.898 1.00 1.00 C ATOM 0 H TRP A 37 1.725 -6.042 0.172 1.00 1.00 H new ATOM 0 HA TRP A 37 2.324 -7.231 -2.453 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.319 -5.122 -1.672 1.00 1.00 H new ATOM 0 HB3 TRP A 37 0.730 -5.553 -3.320 1.00 1.00 H new ATOM 0 HD1 TRP A 37 0.835 -8.784 -1.775 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -1.392 -10.087 -1.952 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -2.238 -4.873 -2.918 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -4.068 -9.486 -2.491 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.637 -5.350 -3.298 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -5.527 -7.611 -3.043 1.00 1.00 H new ATOM 578 N LEU A 38 3.601 -5.176 -3.221 1.00 1.00 N ATOM 579 CA LEU A 38 4.534 -4.141 -3.587 1.00 1.00 C ATOM 580 C LEU A 38 3.812 -3.140 -4.501 1.00 1.00 C ATOM 581 O LEU A 38 3.147 -3.555 -5.449 1.00 1.00 O ATOM 582 CB LEU A 38 5.675 -4.753 -4.352 1.00 1.00 C ATOM 583 CG LEU A 38 6.946 -4.009 -4.786 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.708 -3.479 -3.583 1.00 1.00 C ATOM 585 CD2 LEU A 38 7.860 -4.843 -5.638 1.00 1.00 C ATOM 0 H LEU A 38 3.430 -5.857 -3.961 1.00 1.00 H new ATOM 0 HA LEU A 38 4.911 -3.643 -2.694 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.014 -5.601 -3.757 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.239 -5.158 -5.265 1.00 1.00 H new ATOM 0 HG LEU A 38 6.605 -3.174 -5.399 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.603 -2.957 -3.921 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.074 -2.789 -3.026 1.00 1.00 H new ATOM 0 HD13 LEU A 38 7.994 -4.310 -2.938 1.00 1.00 H new ATOM 0 HD21 LEU A 38 8.738 -4.258 -5.910 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.171 -5.727 -5.081 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.335 -5.150 -6.542 1.00 1.00 H new ATOM 597 N GLY A 39 3.968 -1.855 -4.248 1.00 1.00 N ATOM 598 CA GLY A 39 3.344 -0.877 -5.103 1.00 1.00 C ATOM 599 C GLY A 39 4.032 0.465 -5.019 1.00 1.00 C ATOM 600 O GLY A 39 5.131 0.582 -4.468 1.00 1.00 O ATOM 0 H GLY A 39 4.511 -1.474 -3.473 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.363 -1.231 -6.134 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.296 -0.766 -4.823 1.00 1.00 H new ATOM 604 N GLU A 40 3.357 1.465 -5.553 1.00 1.00 N ATOM 605 CA GLU A 40 3.841 2.828 -5.607 1.00 1.00 C ATOM 606 C GLU A 40 2.714 3.777 -5.235 1.00 1.00 C ATOM 607 O GLU A 40 1.573 3.589 -5.645 1.00 1.00 O ATOM 608 CB GLU A 40 4.321 3.125 -7.018 1.00 1.00 C ATOM 609 CG GLU A 40 4.905 4.513 -7.204 1.00 1.00 C ATOM 610 CD GLU A 40 5.324 4.826 -8.631 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.895 4.083 -9.542 1.00 1.00 O ATOM 612 OE2 GLU A 40 6.133 5.777 -8.818 1.00 1.00 O ATOM 0 H GLU A 40 2.434 1.347 -5.971 1.00 1.00 H new ATOM 0 HA GLU A 40 4.665 2.960 -4.906 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.074 2.387 -7.295 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.485 3.001 -7.706 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.169 5.251 -6.883 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.771 4.621 -6.551 1.00 1.00 H new ATOM 619 N LEU A 41 3.031 4.829 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.002 5.785 -4.092 1.00 1.00 C ATOM 621 C LEU A 41 1.636 6.707 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.506 7.331 -5.845 1.00 1.00 O ATOM 623 CB LEU A 41 2.415 6.638 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.671 5.912 -1.601 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.912 6.915 -0.469 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.583 4.962 -1.245 1.00 1.00 C ATOM 0 H LEU A 41 3.964 5.028 -4.103 1.00 1.00 H new ATOM 0 HA LEU A 41 1.136 5.181 -3.820 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.321 7.179 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.638 7.383 -2.742 1.00 1.00 H new ATOM 0 HG LEU A 41 3.571 5.313 -1.742 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.093 6.377 0.461 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.779 7.531 -0.707 1.00 1.00 H new ATOM 0 HD13 LEU A 41 2.035 7.552 -0.355 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.821 4.474 -0.300 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.643 5.506 -1.146 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.486 4.210 -2.028 1.00 1.00 H new ATOM 638 N GLU A 42 0.343 6.869 -5.471 1.00 1.00 N ATOM 639 CA GLU A 42 -0.100 7.853 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.247 -6.047 1.00 1.00 C ATOM 641 O GLU A 42 0.757 10.065 -6.910 1.00 1.00 O ATOM 642 CB GLU A 42 -1.640 7.876 -6.458 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.943 -7.374 1.00 1.00 C ATOM 644 CD GLU A 42 -3.658 9.364 -7.091 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.182 9.145 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.301 9.895 -8.031 1.00 1.00 O ATOM 0 H GLU A 42 -0.402 6.340 -5.017 1.00 1.00 H new ATOM 0 HA GLU A 42 0.295 7.588 -7.414 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.006 6.900 -6.777 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.011 8.040 -5.446 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.827 -7.307 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.145 8.583 -8.401 1.00 1.00 H new ATOM 653 N LYS A 43 0.414 9.557 -4.761 1.00 1.00 N ATOM 654 CA LYS A 43 0.648 10.954 -4.397 1.00 1.00 C ATOM 655 C LYS A 43 2.069 11.439 -4.531 1.00 1.00 C ATOM 656 O LYS A 43 2.299 12.647 -4.632 1.00 1.00 O ATOM 657 CB LYS A 43 0.109 11.248 -2.998 1.00 1.00 C ATOM 658 CG LYS A 43 0.914 10.637 -1.891 1.00 1.00 C ATOM 659 CD LYS A 43 0.159 10.748 -0.552 1.00 1.00 C ATOM 660 CE LYS A 43 0.961 10.247 0.609 1.00 1.00 C ATOM 661 NZ LYS A 43 0.177 10.409 1.857 1.00 1.00 N ATOM 0 H LYS A 43 0.270 8.907 -3.988 1.00 1.00 H new ATOM 0 HA LYS A 43 0.093 11.523 -5.143 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.073 12.328 -2.854 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.916 10.883 -2.931 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.117 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.878 11.139 -1.814 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.112 11.789 -0.378 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.771 10.183 -0.616 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.218 9.198 0.462 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.899 10.798 0.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.825 10.527 2.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.432 11.248 1.778 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.413 9.566 2.008 1.00 1.00 H new ATOM 675 N ASP A 44 3.054 10.539 -4.527 1.00 1.00 N ATOM 676 CA ASP A 44 4.444 10.977 -4.535 1.00 1.00 C ATOM 677 C ASP A 44 5.415 10.098 -5.295 1.00 1.00 C ATOM 678 O ASP A 44 6.594 10.404 -5.308 1.00 1.00 O ATOM 679 CB ASP A 44 4.950 11.215 -3.101 1.00 1.00 C ATOM 680 CG ASP A 44 5.028 9.979 -2.244 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 8.832 -2.755 1.00 1.00 O ATOM 682 OD2 ASP A 44 5.194 10.092 -1.001 1.00 1.00 O ATOM 0 H ASP A 44 2.918 9.528 -4.518 1.00 1.00 H new ATOM 0 HA ASP A 44 4.423 11.912 -5.095 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.940 11.668 -3.151 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.293 11.936 -2.614 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.996 -5.887 1.00 1.00 N ATOM 688 CA GLY A 45 5.889 8.155 -6.632 1.00 1.00 C ATOM 689 C GLY A 45 6.772 7.258 -5.794 1.00 1.00 C ATOM 690 O GLY A 45 7.586 6.543 -6.359 1.00 1.00 O ATOM 0 H GLY A 45 4.001 8.673 -5.866 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.313 7.532 -7.316 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.526 8.795 -7.243 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.258 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.370 -3.623 1.00 1.00 C ATOM 696 C SER A 46 6.995 4.931 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.851 4.688 -4.169 1.00 1.00 O ATOM 698 CB SER A 46 7.386 6.756 -2.149 1.00 1.00 C ATOM 699 OG SER A 46 6.101 6.702 -1.616 1.00 1.00 O ATOM 0 H SER A 46 5.987 7.852 -3.959 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.471 -3.912 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.035 6.092 -1.578 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.778 7.766 -2.028 1.00 1.00 H new ATOM 0 HG SER A 46 5.575 7.456 -1.954 1.00 1.00 H new ATOM 705 N LYS A 47 7.909 3.978 -3.677 1.00 1.00 N ATOM 706 CA LYS A 47 7.610 2.578 -3.921 1.00 1.00 C ATOM 707 C LYS A 47 8.059 1.764 -2.747 1.00 1.00 C ATOM 708 O LYS A 47 9.032 2.108 -2.071 1.00 1.00 O ATOM 709 CB LYS A 47 8.338 2.071 -5.166 1.00 1.00 C ATOM 710 CG LYS A 47 7.927 2.789 -6.424 1.00 1.00 C ATOM 711 CD LYS A 47 8.445 2.132 -7.681 1.00 1.00 C ATOM 712 CE LYS A 47 8.145 3.003 -8.893 1.00 1.00 C ATOM 713 NZ LYS A 47 8.195 2.274 -10.203 1.00 1.00 N ATOM 0 H LYS A 47 8.867 4.156 -3.374 1.00 1.00 H new ATOM 0 HA LYS A 47 6.535 2.481 -4.072 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.186 -5.023 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.145 1.005 -5.284 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.836 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.289 3.816 -6.383 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.520 1.969 -7.598 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.983 1.153 -7.805 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.155 3.444 -8.773 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.859 3.826 -8.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.980 2.935 -10.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.145 1.875 -10.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.494 1.505 -10.200 1.00 1.00 H new ATOM 727 N GLY A 48 7.374 0.659 -2.490 1.00 1.00 N ATOM 728 CA GLY A 48 7.749 -0.198 -1.390 1.00 1.00 C ATOM 729 C GLY A 48 6.680 -1.202 -1.041 1.00 1.00 C ATOM 730 O GLY A 48 5.563 -1.168 -1.569 1.00 1.00 O ATOM 0 H GLY A 48 6.565 0.343 -3.025 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.668 -0.726 -1.644 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.965 0.415 -0.515 1.00 1.00 H new ATOM 734 N LEU A 49 7.030 -2.079 -0.119 1.00 1.00 N ATOM 735 CA LEU A 49 6.152 -3.114 0.358 1.00 1.00 C ATOM 736 C LEU A 49 5.083 -2.557 1.279 1.00 1.00 C ATOM 737 O LEU A 49 5.331 -1.637 2.074 1.00 1.00 O ATOM 738 CB LEU A 49 6.963 -4.143 1.140 1.00 1.00 C ATOM 739 CG LEU A 49 7.907 -5.019 0.337 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.809 -5.768 1.280 1.00 1.00 C ATOM 741 CD2 LEU A 49 7.112 -5.987 -0.530 1.00 1.00 C ATOM 0 H LEU A 49 7.949 -2.087 0.323 1.00 1.00 H new ATOM 0 HA LEU A 49 5.671 -3.567 -0.509 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.547 -3.615 1.894 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.267 -4.791 1.673 1.00 1.00 H new ATOM 0 HG LEU A 49 8.516 -4.397 -0.319 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.489 -6.399 0.708 1.00 1.00 H new ATOM 0 HD12 LEU A 49 9.385 -5.058 1.874 1.00 1.00 H new ATOM 0 HD13 LEU A 49 8.207 -6.390 1.942 1.00 1.00 H new ATOM 0 HD21 LEU A 49 7.799 -6.611 -1.102 1.00 1.00 H new ATOM 0 HD22 LEU A 49 6.491 -6.619 0.105 1.00 1.00 H new ATOM 0 HD23 LEU A 49 6.477 -5.425 -1.214 1.00 1.00 H new ATOM 753 N PHE A 50 3.897 -3.150 1.211 1.00 1.00 N ATOM 754 CA PHE A 50 2.813 -2.736 2.068 1.00 1.00 C ATOM 755 C PHE A 50 1.939 -3.945 2.336 1.00 1.00 C ATOM 756 O PHE A 50 1.721 -4.756 1.419 1.00 1.00 O ATOM 757 CB PHE A 50 2.003 -1.599 1.443 1.00 1.00 C ATOM 758 CG PHE A 50 1.238 -1.993 0.218 1.00 1.00 C ATOM 759 CD1 PHE A 50 1.822 -1.903 -1.023 1.00 1.00 C ATOM 760 CD2 PHE A 50 -0.086 -2.392 0.276 1.00 1.00 C ATOM 761 CE1 PHE A 50 1.131 -2.223 -2.162 1.00 1.00 C ATOM 762 CE2 PHE A 50 -0.776 -2.716 -0.877 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.165 -2.629 -2.100 1.00 1.00 C ATOM 0 H PHE A 50 3.671 -3.913 0.573 1.00 1.00 H new ATOM 0 HA PHE A 50 3.215 -2.349 3.004 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.304 -1.214 2.186 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.679 -0.783 1.189 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.847 -1.573 -1.102 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -0.585 -2.451 1.232 1.00 1.00 H new ATOM 0 HE1 PHE A 50 1.622 -2.152 -3.121 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.804 -3.040 -0.813 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.705 -2.879 -3.001 1.00 1.00 H new ATOM 773 N PRO A 51 1.452 -4.098 3.568 1.00 1.00 N ATOM 774 CA PRO A 51 0.607 -5.247 3.880 1.00 1.00 C ATOM 775 C PRO A 51 -0.659 -5.163 3.055 1.00 1.00 C ATOM 776 O PRO A 51 -1.292 -4.122 2.925 1.00 1.00 O ATOM 777 CB PRO A 51 0.333 -5.091 5.387 1.00 1.00 C ATOM 778 CG PRO A 51 1.386 -4.187 5.902 1.00 1.00 C ATOM 779 CD PRO A 51 1.697 -3.265 4.761 1.00 1.00 C ATOM 0 HA PRO A 51 1.054 -6.215 3.654 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.659 -4.674 5.562 1.00 1.00 H new ATOM 0 HB3 PRO A 51 0.367 -6.057 5.892 1.00 1.00 H new ATOM 0 HG2 PRO A 51 1.039 -3.633 6.774 1.00 1.00 H new ATOM 0 HG3 PRO A 51 2.270 -4.746 6.210 1.00 1.00 H new ATOM 0 HD2 PRO A 51 1.057 -2.382 4.772 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.728 -2.912 4.799 1.00 1.00 H new ATOM 787 N SER A 52 -1.029 -6.286 2.449 1.00 1.00 N ATOM 788 CA SER A 52 -2.192 -6.311 1.575 1.00 1.00 C ATOM 789 C SER A 52 -3.521 -6.106 2.294 1.00 1.00 C ATOM 790 O SER A 52 -4.524 -5.756 1.662 1.00 1.00 O ATOM 791 CB SER A 52 -2.210 -7.625 0.811 1.00 1.00 C ATOM 792 OG SER A 52 -2.347 -8.690 1.713 1.00 1.00 O ATOM 0 H SER A 52 -0.546 -7.179 2.546 1.00 1.00 H new ATOM 0 HA SER A 52 -2.092 -5.463 0.897 1.00 1.00 H new ATOM 0 HB2 SER A 52 -3.034 -7.631 0.097 1.00 1.00 H new ATOM 0 HB3 SER A 52 -1.290 -7.737 0.237 1.00 1.00 H new ATOM 0 HG SER A 52 -1.498 -8.834 2.181 1.00 1.00 H new ATOM 798 N ASN A 53 -3.559 -6.295 3.609 1.00 1.00 N ATOM 799 CA ASN A 53 -4.810 -6.121 4.326 1.00 1.00 C ATOM 800 C ASN A 53 -5.146 -4.646 4.624 1.00 1.00 C ATOM 801 O ASN A 53 -6.192 -4.341 5.174 1.00 1.00 O ATOM 802 CB ASN A 53 -4.831 -6.989 5.621 1.00 1.00 C ATOM 803 CG ASN A 53 -3.760 -6.526 6.698 1.00 1.00 C ATOM 804 OD1 ASN A 53 -2.752 -5.951 6.346 1.00 1.00 O ATOM 805 ND2 ASN A 53 -4.015 -6.781 7.989 1.00 1.00 N ATOM 0 H ASN A 53 -2.760 -6.561 4.184 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.600 -6.472 3.662 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -5.826 -6.945 6.064 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.645 -8.030 5.357 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -3.352 -6.489 8.707 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -4.872 -7.267 8.253 1.00 1.00 H new ATOM 812 N TYR A 54 -4.283 -3.701 4.257 1.00 1.00 N ATOM 813 CA TYR A 54 -4.578 -2.293 4.505 1.00 1.00 C ATOM 814 C TYR A 54 -5.213 -1.586 3.304 1.00 1.00 C ATOM 815 O TYR A 54 -5.461 -0.392 3.394 1.00 1.00 O ATOM 816 CB TYR A 54 -3.340 -1.511 4.966 1.00 1.00 C ATOM 817 CG TYR A 54 -3.024 -1.719 6.413 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.471 -2.891 6.849 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.268 -0.725 7.355 1.00 1.00 C ATOM 820 CE1 TYR A 54 -2.159 -3.083 8.176 1.00 1.00 C ATOM 821 CE2 TYR A 54 -2.954 -0.910 8.686 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.401 -2.085 9.089 1.00 1.00 C ATOM 823 OH TYR A 54 -2.064 -2.294 10.415 1.00 1.00 O ATOM 0 H TYR A 54 -3.391 -3.879 3.796 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.311 -2.301 5.312 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.482 -1.812 4.365 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.499 -0.448 4.783 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.275 -3.681 6.139 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.711 0.208 7.039 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -1.724 -4.017 8.499 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -3.146 -0.126 9.403 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.294 -1.499 10.940 1.00 1.00 H new ATOM 833 N VAL A 55 -5.440 -2.286 2.199 1.00 1.00 N ATOM 834 CA VAL A 55 -6.003 -1.662 1.001 1.00 1.00 C ATOM 835 C VAL A 55 -7.042 -2.547 0.340 1.00 1.00 C ATOM 836 O VAL A 55 -7.109 -3.752 0.583 1.00 1.00 O ATOM 837 CB VAL A 55 -4.902 -1.316 -0.059 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.698 -0.637 0.586 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.461 -2.547 -0.797 1.00 1.00 C ATOM 0 H VAL A 55 -5.245 -3.283 2.104 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.473 -0.740 1.344 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.347 -0.620 -0.770 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -2.955 -0.412 -0.179 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.016 0.288 1.067 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.262 -1.302 1.332 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.697 -2.280 -1.527 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -4.051 -3.268 -0.090 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -5.315 -2.988 -1.311 1.00 1.00 H new ATOM 849 N SER A 56 -7.839 -1.941 -0.520 1.00 1.00 N ATOM 850 CA SER A 56 -8.855 -2.619 -1.299 1.00 1.00 C ATOM 851 C SER A 56 -8.694 -2.215 -2.767 1.00 1.00 C ATOM 852 O SER A 56 -8.547 -1.040 -3.032 1.00 1.00 O ATOM 853 CB SER A 56 -10.220 -2.208 -0.784 1.00 1.00 C ATOM 854 OG SER A 56 -10.397 -0.831 -0.945 1.00 1.00 O ATOM 0 H SER A 56 -7.796 -0.938 -0.700 1.00 1.00 H new ATOM 0 HA SER A 56 -8.754 -3.701 -1.211 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.999 -2.748 -1.322 1.00 1.00 H new ATOM 0 HB3 SER A 56 -10.316 -2.475 0.268 1.00 1.00 H new ATOM 0 HG SER A 56 -10.634 -0.429 -0.083 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.179 -3.685 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.831 -5.101 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.885 -5.603 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.982 -5.227 1.00 1.00 O ATOM 864 CB LEU A 57 -8.374 -4.059 -5.993 1.00 1.00 C ATOM 865 CG LEU A 57 -7.296 -5.066 -5.625 1.00 1.00 C ATOM 866 CD1 LEU A 57 -7.183 -6.094 -6.746 1.00 1.00 C ATOM 867 CD2 LEU A 57 -5.953 -4.445 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.786 -4.174 -3.492 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.492 -2.323 -5.155 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.564 -5.975 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.205 -3.731 -7.019 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.595 -5.526 -4.683 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.413 -6.823 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.138 -6.604 -6.870 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.917 -5.591 -7.676 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.233 -5.221 -5.138 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.628 -3.936 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.019 -3.725 -4.582 1.00 1.00 H new ATOM 879 N GLY A 58 -9.130 -0.937 -6.433 1.00 1.00 N ATOM 880 CA GLY A 58 -10.061 0.015 -7.032 1.00 1.00 C ATOM 881 C GLY A 58 -10.582 1.044 -6.054 1.00 1.00 C ATOM 882 O GLY A 58 -10.014 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.157 -0.805 -6.708 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.565 0.527 -7.856 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.904 -0.531 -7.457 1.00 1.00 H new ATOM 886 N ASN A 59 -11.660 1.723 -6.464 1.00 1.00 N ATOM 887 CA ASN A 59 -12.271 2.803 -5.690 1.00 1.00 C ATOM 888 C ASN A 59 -13.203 2.258 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.005 3.060 -4.086 1.00 1.00 O ATOM 890 CB ASN A 59 -12.994 3.808 -6.622 1.00 1.00 C ATOM 891 CG ASN A 59 -12.392 5.199 -6.565 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.872 5.643 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.457 5.901 -7.691 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.155 1.049 -4.355 1.00 1.00 O ATOM 0 H ASN A 59 -12.133 1.535 -7.348 1.00 1.00 H new ATOM 0 HA ASN A 59 -11.475 3.342 -5.177 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.952 3.441 -7.647 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -14.047 3.861 -6.345 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.067 6.843 -7.728 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.897 5.498 -8.518 1.00 1.00 H new TER 901 ASN A 59