USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 MET CE :methyl 168:sc= -0.115 (180deg=-0.762) USER MOD Set 1.2: A 89 MET CE :methyl 161:sc= -0.0732 (180deg=-0.233) USER MOD Single : A 1 MET CE :methyl 167:sc=-0.00441 (180deg=-0.218) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 178:sc= 0.613 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -179:sc= -0.356 (180deg=-0.36) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.0153 (180deg=-0.198) USER MOD Single : A 20 ASN : amide:sc= 0.332 K(o=0.33,f=-0.57) USER MOD Single : A 22 THR OG1 : rot -42:sc= 0.744 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 117:sc= 0.236 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -91:sc= 0.0509 USER MOD Single : A 44 TYR OH : rot -107:sc= 0.701 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-6.9!) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 1.7 (180deg=1.69) USER MOD Single : A 75 MET CE :methyl -170:sc= -0.784 (180deg=-1.19) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0.277 K(o=0.28,f=-1.8!) USER MOD Single : A 100 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.715 -14.407 7.188 1.00 0.00 N ATOM 2 CA MET A 1 -5.600 -14.592 8.139 1.00 0.00 C ATOM 3 C MET A 1 -4.262 -14.472 7.415 1.00 0.00 C ATOM 4 O MET A 1 -4.000 -15.202 6.460 1.00 0.00 O ATOM 5 CB MET A 1 -5.718 -15.947 8.842 1.00 0.00 C ATOM 6 CG MET A 1 -4.618 -16.112 9.892 1.00 0.00 C ATOM 7 SD MET A 1 -4.733 -17.636 10.869 1.00 0.00 S ATOM 8 CE MET A 1 -4.467 -18.868 9.568 1.00 0.00 C ATOM 0 H1 MET A 1 -7.620 -14.491 7.693 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.648 -13.465 6.753 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.664 -15.135 6.447 1.00 0.00 H new ATOM 0 HA MET A 1 -5.652 -13.810 8.896 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.696 -16.032 9.317 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.650 -16.750 8.108 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.650 -16.088 9.392 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.648 -15.258 10.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.277 -19.841 10.021 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.354 -18.929 8.938 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.610 -18.577 8.961 1.00 0.00 H new ATOM 18 N SER A 2 -3.412 -13.549 7.877 1.00 0.00 N ATOM 19 CA SER A 2 -2.101 -13.320 7.287 1.00 0.00 C ATOM 20 C SER A 2 -1.136 -12.697 8.291 1.00 0.00 C ATOM 21 O SER A 2 -1.495 -12.422 9.436 1.00 0.00 O ATOM 22 CB SER A 2 -2.220 -12.373 6.089 1.00 0.00 C ATOM 23 OG SER A 2 -2.935 -11.212 6.454 1.00 0.00 O ATOM 0 H SER A 2 -3.619 -12.943 8.671 1.00 0.00 H new ATOM 0 HA SER A 2 -1.715 -14.290 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.227 -12.100 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.727 -12.877 5.266 1.00 0.00 H new ATOM 0 HG SER A 2 -2.972 -10.597 5.692 1.00 0.00 H new ATOM 29 N TYR A 3 0.097 -12.471 7.834 1.00 0.00 N ATOM 30 CA TYR A 3 1.143 -11.816 8.589 1.00 0.00 C ATOM 31 C TYR A 3 2.084 -11.102 7.622 1.00 0.00 C ATOM 32 O TYR A 3 1.886 -11.148 6.409 1.00 0.00 O ATOM 33 CB TYR A 3 1.897 -12.853 9.434 1.00 0.00 C ATOM 34 CG TYR A 3 2.793 -13.784 8.650 1.00 0.00 C ATOM 35 CD1 TYR A 3 2.248 -14.742 7.778 1.00 0.00 C ATOM 36 CD2 TYR A 3 4.186 -13.685 8.797 1.00 0.00 C ATOM 37 CE1 TYR A 3 3.094 -15.589 7.048 1.00 0.00 C ATOM 38 CE2 TYR A 3 5.038 -14.526 8.068 1.00 0.00 C ATOM 39 CZ TYR A 3 4.491 -15.483 7.190 1.00 0.00 C ATOM 40 OH TYR A 3 5.316 -16.308 6.481 1.00 0.00 O ATOM 0 H TYR A 3 0.394 -12.751 6.899 1.00 0.00 H new ATOM 0 HA TYR A 3 0.713 -11.077 9.266 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.502 -12.327 10.173 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.170 -13.450 9.984 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.177 -14.826 7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.603 -12.956 9.476 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.674 -16.323 6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.109 -14.441 8.179 1.00 0.00 H new ATOM 0 HH TYR A 3 6.249 -16.101 6.696 1.00 0.00 H new ATOM 50 N GLY A 4 3.108 -10.443 8.163 1.00 0.00 N ATOM 51 CA GLY A 4 4.088 -9.707 7.377 1.00 0.00 C ATOM 52 C GLY A 4 5.509 -10.167 7.681 1.00 0.00 C ATOM 53 O GLY A 4 5.721 -11.065 8.493 1.00 0.00 O ATOM 0 H GLY A 4 3.279 -10.407 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.880 -9.842 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.997 -8.641 7.586 1.00 0.00 H new ATOM 57 N ARG A 5 6.490 -9.548 7.019 1.00 0.00 N ATOM 58 CA ARG A 5 7.889 -9.928 7.152 1.00 0.00 C ATOM 59 C ARG A 5 8.739 -8.695 7.457 1.00 0.00 C ATOM 60 O ARG A 5 8.426 -7.605 6.980 1.00 0.00 O ATOM 61 CB ARG A 5 8.382 -10.618 5.874 1.00 0.00 C ATOM 62 CG ARG A 5 7.751 -11.994 5.626 1.00 0.00 C ATOM 63 CD ARG A 5 6.384 -11.904 4.943 1.00 0.00 C ATOM 64 NE ARG A 5 5.854 -13.241 4.646 1.00 0.00 N ATOM 65 CZ ARG A 5 4.614 -13.478 4.202 1.00 0.00 C ATOM 66 NH1 ARG A 5 3.764 -12.479 3.997 1.00 0.00 N ATOM 67 NH2 ARG A 5 4.219 -14.723 3.964 1.00 0.00 N ATOM 0 H ARG A 5 6.332 -8.771 6.378 1.00 0.00 H new ATOM 0 HA ARG A 5 7.984 -10.632 7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.171 -9.974 5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.465 -10.730 5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.422 -12.591 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.644 -12.516 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.687 -11.367 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.472 -11.331 4.020 1.00 0.00 H new ATOM 0 HE ARG A 5 6.471 -14.041 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.053 -11.518 4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.822 -12.673 3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.861 -15.500 4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.274 -14.902 3.626 1.00 0.00 H new ATOM 81 N PRO A 6 9.809 -8.857 8.245 1.00 0.00 N ATOM 82 CA PRO A 6 10.642 -7.759 8.706 1.00 0.00 C ATOM 83 C PRO A 6 11.519 -7.199 7.589 1.00 0.00 C ATOM 84 O PRO A 6 11.727 -7.853 6.567 1.00 0.00 O ATOM 85 CB PRO A 6 11.500 -8.363 9.820 1.00 0.00 C ATOM 86 CG PRO A 6 11.633 -9.831 9.406 1.00 0.00 C ATOM 87 CD PRO A 6 10.277 -10.127 8.766 1.00 0.00 C ATOM 0 HA PRO A 6 10.039 -6.919 9.050 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.472 -7.875 9.888 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.023 -8.262 10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.453 -9.980 8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.826 -10.477 10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.371 -10.867 7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.578 -10.533 9.497 1.00 0.00 H new ATOM 95 N PRO A 7 12.043 -5.979 7.783 1.00 0.00 N ATOM 96 CA PRO A 7 12.986 -5.341 6.873 1.00 0.00 C ATOM 97 C PRO A 7 14.353 -6.029 6.945 1.00 0.00 C ATOM 98 O PRO A 7 14.602 -6.808 7.864 1.00 0.00 O ATOM 99 CB PRO A 7 13.073 -3.894 7.353 1.00 0.00 C ATOM 100 CG PRO A 7 12.769 -3.988 8.847 1.00 0.00 C ATOM 101 CD PRO A 7 11.758 -5.125 8.920 1.00 0.00 C ATOM 0 HA PRO A 7 12.667 -5.405 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.061 -3.471 7.171 1.00 0.00 H new ATOM 0 HB3 PRO A 7 12.354 -3.257 6.838 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.665 -4.207 9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.357 -3.056 9.234 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.854 -5.675 9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.737 -4.744 8.877 1.00 0.00 H new ATOM 109 N PRO A 8 15.247 -5.751 5.982 1.00 0.00 N ATOM 110 CA PRO A 8 16.589 -6.313 5.950 1.00 0.00 C ATOM 111 C PRO A 8 17.417 -5.816 7.129 1.00 0.00 C ATOM 112 O PRO A 8 17.772 -6.589 8.016 1.00 0.00 O ATOM 113 CB PRO A 8 17.190 -5.828 4.628 1.00 0.00 C ATOM 114 CG PRO A 8 16.388 -4.580 4.264 1.00 0.00 C ATOM 115 CD PRO A 8 15.009 -4.873 4.849 1.00 0.00 C ATOM 0 HA PRO A 8 16.575 -7.401 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.250 -5.598 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.107 -6.590 3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.826 -3.679 4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.345 -4.429 3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.512 -3.955 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.363 -5.350 4.112 1.00 0.00 H new ATOM 123 N ASP A 9 17.714 -4.521 7.127 1.00 0.00 N ATOM 124 CA ASP A 9 18.433 -3.868 8.215 1.00 0.00 C ATOM 125 C ASP A 9 17.970 -2.423 8.401 1.00 0.00 C ATOM 126 O ASP A 9 17.856 -1.961 9.535 1.00 0.00 O ATOM 127 CB ASP A 9 19.938 -3.874 7.923 1.00 0.00 C ATOM 128 CG ASP A 9 20.512 -5.287 7.892 1.00 0.00 C ATOM 129 OD1 ASP A 9 20.788 -5.819 8.992 1.00 0.00 O ATOM 130 OD2 ASP A 9 20.670 -5.825 6.774 1.00 0.00 O ATOM 0 H ASP A 9 17.461 -3.891 6.366 1.00 0.00 H new ATOM 0 HA ASP A 9 18.224 -4.422 9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.123 -3.387 6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 9 20.456 -3.289 8.683 1.00 0.00 H new ATOM 135 N VAL A 10 17.705 -1.721 7.287 1.00 0.00 N ATOM 136 CA VAL A 10 17.251 -0.326 7.235 1.00 0.00 C ATOM 137 C VAL A 10 17.938 0.584 8.258 1.00 0.00 C ATOM 138 O VAL A 10 17.370 1.588 8.684 1.00 0.00 O ATOM 139 CB VAL A 10 15.721 -0.250 7.310 1.00 0.00 C ATOM 140 CG1 VAL A 10 15.116 -1.052 6.158 1.00 0.00 C ATOM 141 CG2 VAL A 10 15.167 -0.786 8.630 1.00 0.00 C ATOM 0 H VAL A 10 17.807 -2.131 6.358 1.00 0.00 H new ATOM 0 HA VAL A 10 17.560 0.069 6.267 1.00 0.00 H new ATOM 0 HB VAL A 10 15.448 0.803 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.029 -0.999 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.455 -0.637 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.433 -2.092 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.080 -0.707 8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.455 -1.831 8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.571 -0.203 9.458 1.00 0.00 H new ATOM 151 N GLU A 11 19.163 0.232 8.653 1.00 0.00 N ATOM 152 CA GLU A 11 19.921 0.899 9.697 1.00 0.00 C ATOM 153 C GLU A 11 20.423 2.292 9.303 1.00 0.00 C ATOM 154 O GLU A 11 21.213 2.884 10.041 1.00 0.00 O ATOM 155 CB GLU A 11 21.079 -0.007 10.124 1.00 0.00 C ATOM 156 CG GLU A 11 22.010 -0.418 8.974 1.00 0.00 C ATOM 157 CD GLU A 11 22.855 0.742 8.445 1.00 0.00 C ATOM 158 OE1 GLU A 11 23.784 1.162 9.173 1.00 0.00 O ATOM 159 OE2 GLU A 11 22.563 1.204 7.319 1.00 0.00 O ATOM 0 H GLU A 11 19.666 -0.552 8.237 1.00 0.00 H new ATOM 0 HA GLU A 11 19.245 1.070 10.535 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.665 0.506 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.671 -0.906 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.670 -1.215 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.413 -0.827 8.159 1.00 0.00 H new ATOM 166 N GLY A 12 19.986 2.822 8.159 1.00 0.00 N ATOM 167 CA GLY A 12 20.475 4.105 7.676 1.00 0.00 C ATOM 168 C GLY A 12 19.489 4.835 6.766 1.00 0.00 C ATOM 169 O GLY A 12 19.890 5.749 6.045 1.00 0.00 O ATOM 0 H GLY A 12 19.295 2.379 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 12 20.706 4.741 8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.408 3.948 7.134 1.00 0.00 H new ATOM 173 N MET A 13 18.208 4.454 6.780 1.00 0.00 N ATOM 174 CA MET A 13 17.205 5.102 5.946 1.00 0.00 C ATOM 175 C MET A 13 15.903 5.310 6.712 1.00 0.00 C ATOM 176 O MET A 13 15.724 4.785 7.814 1.00 0.00 O ATOM 177 CB MET A 13 16.931 4.268 4.689 1.00 0.00 C ATOM 178 CG MET A 13 18.161 4.116 3.790 1.00 0.00 C ATOM 179 SD MET A 13 19.340 2.833 4.289 1.00 0.00 S ATOM 180 CE MET A 13 18.367 1.363 3.872 1.00 0.00 C ATOM 0 H MET A 13 17.846 3.699 7.362 1.00 0.00 H new ATOM 0 HA MET A 13 17.598 6.076 5.655 1.00 0.00 H new ATOM 0 HB2 MET A 13 16.580 3.279 4.985 1.00 0.00 H new ATOM 0 HB3 MET A 13 16.127 4.734 4.119 1.00 0.00 H new ATOM 0 HG2 MET A 13 17.824 3.900 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 13 18.684 5.072 3.755 1.00 0.00 H new ATOM 0 HE1 MET A 13 18.932 0.467 4.130 1.00 0.00 H new ATOM 0 HE2 MET A 13 17.431 1.375 4.431 1.00 0.00 H new ATOM 0 HE3 MET A 13 18.151 1.360 2.804 1.00 0.00 H new ATOM 190 N THR A 14 14.995 6.079 6.106 1.00 0.00 N ATOM 191 CA THR A 14 13.660 6.354 6.624 1.00 0.00 C ATOM 192 C THR A 14 12.711 6.454 5.424 1.00 0.00 C ATOM 193 O THR A 14 13.142 6.231 4.289 1.00 0.00 O ATOM 194 CB THR A 14 13.637 7.655 7.443 1.00 0.00 C ATOM 195 OG1 THR A 14 14.869 7.847 8.099 1.00 0.00 O ATOM 196 CG2 THR A 14 12.550 7.626 8.514 1.00 0.00 C ATOM 0 H THR A 14 15.178 6.540 5.214 1.00 0.00 H new ATOM 0 HA THR A 14 13.348 5.553 7.295 1.00 0.00 H new ATOM 0 HB THR A 14 13.440 8.464 6.739 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.839 8.680 8.615 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.564 8.562 9.072 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.576 7.501 8.041 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.732 6.795 9.195 1.00 0.00 H new ATOM 203 N SER A 15 11.437 6.785 5.662 1.00 0.00 N ATOM 204 CA SER A 15 10.387 6.809 4.649 1.00 0.00 C ATOM 205 C SER A 15 10.051 5.406 4.184 1.00 0.00 C ATOM 206 O SER A 15 10.929 4.605 3.872 1.00 0.00 O ATOM 207 CB SER A 15 10.752 7.719 3.475 1.00 0.00 C ATOM 208 OG SER A 15 11.079 9.008 3.951 1.00 0.00 O ATOM 0 H SER A 15 11.104 7.050 6.589 1.00 0.00 H new ATOM 0 HA SER A 15 9.494 7.230 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.595 7.299 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.917 7.780 2.777 1.00 0.00 H new ATOM 0 HG SER A 15 11.314 9.586 3.195 1.00 0.00 H new ATOM 214 N LEU A 16 8.754 5.116 4.144 1.00 0.00 N ATOM 215 CA LEU A 16 8.268 3.822 3.689 1.00 0.00 C ATOM 216 C LEU A 16 7.704 3.980 2.285 1.00 0.00 C ATOM 217 O LEU A 16 7.404 5.105 1.896 1.00 0.00 O ATOM 218 CB LEU A 16 7.188 3.319 4.650 1.00 0.00 C ATOM 219 CG LEU A 16 6.759 1.868 4.391 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.919 0.911 4.647 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.593 1.499 5.305 1.00 0.00 C ATOM 0 H LEU A 16 8.019 5.765 4.423 1.00 0.00 H new ATOM 0 HA LEU A 16 9.080 3.095 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.556 3.403 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.315 3.966 4.572 1.00 0.00 H new ATOM 0 HG LEU A 16 6.451 1.783 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.595 -0.112 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.748 1.158 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.245 1.003 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.294 0.468 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.900 1.602 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.751 2.163 5.107 1.00 0.00 H new ATOM 233 N LYS A 17 7.568 2.861 1.566 1.00 0.00 N ATOM 234 CA LYS A 17 6.960 2.722 0.246 1.00 0.00 C ATOM 235 C LYS A 17 6.196 1.401 0.250 1.00 0.00 C ATOM 236 O LYS A 17 6.694 0.384 0.731 1.00 0.00 O ATOM 237 CB LYS A 17 8.056 2.737 -0.830 1.00 0.00 C ATOM 238 CG LYS A 17 7.725 1.973 -2.118 1.00 0.00 C ATOM 239 CD LYS A 17 6.588 2.612 -2.912 1.00 0.00 C ATOM 240 CE LYS A 17 6.225 1.740 -4.111 1.00 0.00 C ATOM 241 NZ LYS A 17 7.358 1.608 -5.050 1.00 0.00 N ATOM 0 H LYS A 17 7.906 1.966 1.920 1.00 0.00 H new ATOM 0 HA LYS A 17 6.280 3.544 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.273 3.773 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.967 2.317 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.616 1.924 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.455 0.947 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.716 2.742 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.885 3.604 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.922 0.752 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.370 2.172 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.021 1.203 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.772 2.545 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.080 0.983 -4.637 1.00 0.00 H new ATOM 255 N VAL A 18 4.977 1.407 -0.289 1.00 0.00 N ATOM 256 CA VAL A 18 4.171 0.200 -0.423 1.00 0.00 C ATOM 257 C VAL A 18 3.664 0.062 -1.846 1.00 0.00 C ATOM 258 O VAL A 18 3.266 1.069 -2.430 1.00 0.00 O ATOM 259 CB VAL A 18 2.989 0.291 0.527 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.870 -0.672 0.112 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.475 -0.022 1.935 1.00 0.00 C ATOM 0 H VAL A 18 4.523 2.249 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 18 4.782 -0.670 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 18 2.574 1.299 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.037 -0.585 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.529 -0.422 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.247 -1.695 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.638 0.039 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.895 -1.028 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.240 0.698 2.224 1.00 0.00 H new ATOM 271 N ASP A 19 3.692 -1.188 -2.338 1.00 0.00 N ATOM 272 CA ASP A 19 3.470 -1.602 -3.720 1.00 0.00 C ATOM 273 C ASP A 19 2.626 -2.890 -3.797 1.00 0.00 C ATOM 274 O ASP A 19 2.363 -3.526 -2.780 1.00 0.00 O ATOM 275 CB ASP A 19 4.857 -1.746 -4.372 1.00 0.00 C ATOM 276 CG ASP A 19 5.033 -2.961 -5.278 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.591 -2.893 -6.446 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.611 -3.957 -4.794 1.00 0.00 O ATOM 0 H ASP A 19 3.884 -1.986 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 19 2.888 -0.859 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.061 -0.847 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.607 -1.791 -3.583 1.00 0.00 H new ATOM 283 N ASN A 20 2.209 -3.252 -5.019 1.00 0.00 N ATOM 284 CA ASN A 20 1.355 -4.391 -5.358 1.00 0.00 C ATOM 285 C ASN A 20 -0.116 -4.080 -5.097 1.00 0.00 C ATOM 286 O ASN A 20 -0.532 -3.955 -3.947 1.00 0.00 O ATOM 287 CB ASN A 20 1.789 -5.675 -4.639 1.00 0.00 C ATOM 288 CG ASN A 20 1.393 -6.918 -5.426 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.649 -7.006 -6.625 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.769 -7.893 -4.776 1.00 0.00 N ATOM 0 H ASN A 20 2.478 -2.721 -5.847 1.00 0.00 H new ATOM 0 HA ASN A 20 1.475 -4.569 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.869 -5.664 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.334 -5.710 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.490 -8.740 -5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.568 -7.795 -3.781 1.00 0.00 H new ATOM 297 N LEU A 21 -0.899 -3.961 -6.175 1.00 0.00 N ATOM 298 CA LEU A 21 -2.329 -3.676 -6.124 1.00 0.00 C ATOM 299 C LEU A 21 -3.086 -4.609 -7.062 1.00 0.00 C ATOM 300 O LEU A 21 -2.478 -5.402 -7.780 1.00 0.00 O ATOM 301 CB LEU A 21 -2.604 -2.235 -6.571 1.00 0.00 C ATOM 302 CG LEU A 21 -1.741 -1.187 -5.878 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.100 0.168 -6.481 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.968 -1.143 -4.372 1.00 0.00 C ATOM 0 H LEU A 21 -0.544 -4.063 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.661 -3.820 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.446 -2.165 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.653 -2.004 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.692 -1.440 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.501 0.947 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.898 0.154 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.158 0.372 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.328 -0.379 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.012 -0.904 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.727 -2.114 -3.939 1.00 0.00 H new ATOM 316 N THR A 22 -4.417 -4.510 -7.055 1.00 0.00 N ATOM 317 CA THR A 22 -5.277 -5.316 -7.916 1.00 0.00 C ATOM 318 C THR A 22 -6.257 -4.448 -8.697 1.00 0.00 C ATOM 319 O THR A 22 -7.242 -4.974 -9.205 1.00 0.00 O ATOM 320 CB THR A 22 -6.008 -6.377 -7.086 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.649 -7.298 -7.942 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.035 -5.759 -6.135 1.00 0.00 C ATOM 0 H THR A 22 -4.927 -3.867 -6.450 1.00 0.00 H new ATOM 0 HA THR A 22 -4.649 -5.824 -8.648 1.00 0.00 H new ATOM 0 HB THR A 22 -5.261 -6.888 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.066 -6.817 -8.687 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.528 -6.549 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.532 -5.079 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.779 -5.208 -6.711 1.00 0.00 H new ATOM 329 N TYR A 23 -5.987 -3.136 -8.789 1.00 0.00 N ATOM 330 CA TYR A 23 -6.790 -2.133 -9.500 1.00 0.00 C ATOM 331 C TYR A 23 -7.951 -1.606 -8.656 1.00 0.00 C ATOM 332 O TYR A 23 -8.655 -0.681 -9.058 1.00 0.00 O ATOM 333 CB TYR A 23 -7.235 -2.654 -10.870 1.00 0.00 C ATOM 334 CG TYR A 23 -8.729 -2.663 -11.110 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.582 -3.444 -10.314 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.259 -1.875 -12.140 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.963 -3.442 -10.552 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.636 -1.873 -12.389 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.498 -2.658 -11.596 1.00 0.00 C ATOM 340 OH TYR A 23 -12.842 -2.655 -11.830 1.00 0.00 O ATOM 0 H TYR A 23 -5.163 -2.728 -8.348 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.150 -1.269 -9.680 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.764 -2.044 -11.641 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.859 -3.670 -10.993 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.173 -4.047 -9.517 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.602 -1.267 -12.744 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.618 -4.041 -9.936 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.039 -1.270 -13.189 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.042 -2.061 -12.584 1.00 0.00 H new ATOM 350 N ARG A 24 -8.145 -2.213 -7.484 1.00 0.00 N ATOM 351 CA ARG A 24 -9.238 -1.891 -6.576 1.00 0.00 C ATOM 352 C ARG A 24 -8.737 -1.612 -5.157 1.00 0.00 C ATOM 353 O ARG A 24 -9.517 -1.207 -4.299 1.00 0.00 O ATOM 354 CB ARG A 24 -10.204 -3.074 -6.618 1.00 0.00 C ATOM 355 CG ARG A 24 -11.454 -2.859 -5.764 1.00 0.00 C ATOM 356 CD ARG A 24 -12.349 -4.083 -5.894 1.00 0.00 C ATOM 357 NE ARG A 24 -11.723 -5.259 -5.272 1.00 0.00 N ATOM 358 CZ ARG A 24 -12.121 -6.519 -5.465 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.149 -6.800 -6.262 1.00 0.00 N ATOM 360 NH2 ARG A 24 -11.482 -7.513 -4.855 1.00 0.00 N ATOM 0 H ARG A 24 -7.535 -2.953 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.740 -0.975 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.503 -3.254 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.687 -3.970 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.177 -2.702 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.986 -1.965 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.312 -3.886 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.545 -4.285 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.930 -5.102 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.647 -6.047 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.439 -7.768 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.692 -7.311 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.782 -8.477 -4.999 1.00 0.00 H new ATOM 374 N THR A 25 -7.445 -1.823 -4.903 1.00 0.00 N ATOM 375 CA THR A 25 -6.888 -1.614 -3.573 1.00 0.00 C ATOM 376 C THR A 25 -7.064 -0.164 -3.124 1.00 0.00 C ATOM 377 O THR A 25 -7.462 0.069 -1.988 1.00 0.00 O ATOM 378 CB THR A 25 -5.416 -2.019 -3.576 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.305 -3.393 -3.872 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.783 -1.744 -2.218 1.00 0.00 C ATOM 0 H THR A 25 -6.770 -2.137 -5.600 1.00 0.00 H new ATOM 0 HA THR A 25 -7.426 -2.236 -2.858 1.00 0.00 H new ATOM 0 HB THR A 25 -4.895 -1.433 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.383 -3.687 -3.720 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.734 -2.039 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.856 -0.680 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.305 -2.316 -1.451 1.00 0.00 H new ATOM 387 N SER A 26 -6.778 0.800 -4.013 1.00 0.00 N ATOM 388 CA SER A 26 -6.936 2.233 -3.779 1.00 0.00 C ATOM 389 C SER A 26 -6.175 2.792 -2.563 1.00 0.00 C ATOM 390 O SER A 26 -5.843 2.068 -1.627 1.00 0.00 O ATOM 391 CB SER A 26 -8.432 2.545 -3.692 1.00 0.00 C ATOM 392 OG SER A 26 -9.036 2.324 -4.954 1.00 0.00 O ATOM 0 H SER A 26 -6.419 0.590 -4.944 1.00 0.00 H new ATOM 0 HA SER A 26 -6.474 2.743 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.902 1.915 -2.937 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.581 3.579 -3.382 1.00 0.00 H new ATOM 0 HG SER A 26 -9.994 2.522 -4.897 1.00 0.00 H new ATOM 398 N PRO A 27 -5.888 4.105 -2.565 1.00 0.00 N ATOM 399 CA PRO A 27 -5.167 4.780 -1.489 1.00 0.00 C ATOM 400 C PRO A 27 -5.974 4.804 -0.195 1.00 0.00 C ATOM 401 O PRO A 27 -5.395 4.875 0.883 1.00 0.00 O ATOM 402 CB PRO A 27 -4.918 6.203 -1.997 1.00 0.00 C ATOM 403 CG PRO A 27 -5.958 6.423 -3.089 1.00 0.00 C ATOM 404 CD PRO A 27 -6.236 5.027 -3.632 1.00 0.00 C ATOM 0 HA PRO A 27 -4.239 4.259 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.028 6.933 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.906 6.310 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.863 6.882 -2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.582 7.085 -3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.283 4.920 -3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.643 4.831 -4.526 1.00 0.00 H new ATOM 412 N ASP A 28 -7.301 4.744 -0.300 1.00 0.00 N ATOM 413 CA ASP A 28 -8.184 4.811 0.854 1.00 0.00 C ATOM 414 C ASP A 28 -8.032 3.581 1.752 1.00 0.00 C ATOM 415 O ASP A 28 -7.883 3.703 2.973 1.00 0.00 O ATOM 416 CB ASP A 28 -9.617 4.874 0.334 1.00 0.00 C ATOM 417 CG ASP A 28 -9.892 6.186 -0.399 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.167 7.187 0.303 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.822 6.174 -1.648 1.00 0.00 O ATOM 0 H ASP A 28 -7.790 4.648 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.931 5.689 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.798 4.036 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.312 4.769 1.167 1.00 0.00 H new ATOM 424 N THR A 29 -8.065 2.390 1.145 1.00 0.00 N ATOM 425 CA THR A 29 -7.968 1.153 1.900 1.00 0.00 C ATOM 426 C THR A 29 -6.581 1.068 2.501 1.00 0.00 C ATOM 427 O THR A 29 -6.431 0.704 3.661 1.00 0.00 O ATOM 428 CB THR A 29 -8.192 -0.043 0.984 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.382 0.135 0.245 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.313 -1.337 1.784 1.00 0.00 C ATOM 0 H THR A 29 -8.158 2.265 0.137 1.00 0.00 H new ATOM 0 HA THR A 29 -8.727 1.142 2.683 1.00 0.00 H new ATOM 0 HB THR A 29 -7.333 -0.113 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.169 0.191 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.472 -2.173 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.397 -1.501 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.156 -1.263 2.470 1.00 0.00 H new ATOM 437 N LEU A 30 -5.565 1.413 1.705 1.00 0.00 N ATOM 438 CA LEU A 30 -4.195 1.384 2.173 1.00 0.00 C ATOM 439 C LEU A 30 -4.023 2.344 3.342 1.00 0.00 C ATOM 440 O LEU A 30 -3.217 2.085 4.231 1.00 0.00 O ATOM 441 CB LEU A 30 -3.269 1.814 1.041 1.00 0.00 C ATOM 442 CG LEU A 30 -3.297 0.835 -0.128 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.695 1.522 -1.350 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.493 -0.416 0.212 1.00 0.00 C ATOM 0 H LEU A 30 -5.675 1.714 0.737 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.950 0.372 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.561 2.804 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.250 1.897 1.419 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.325 0.537 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.707 0.835 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.280 2.409 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.667 1.813 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.521 -1.107 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.460 -0.139 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.923 -0.897 1.090 1.00 0.00 H new ATOM 456 N ARG A 31 -4.770 3.452 3.360 1.00 0.00 N ATOM 457 CA ARG A 31 -4.613 4.451 4.400 1.00 0.00 C ATOM 458 C ARG A 31 -4.892 3.837 5.760 1.00 0.00 C ATOM 459 O ARG A 31 -4.043 3.877 6.645 1.00 0.00 O ATOM 460 CB ARG A 31 -5.569 5.621 4.141 1.00 0.00 C ATOM 461 CG ARG A 31 -5.039 6.955 4.672 1.00 0.00 C ATOM 462 CD ARG A 31 -4.501 6.866 6.097 1.00 0.00 C ATOM 463 NE ARG A 31 -4.133 8.194 6.607 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.947 8.988 7.311 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.187 8.618 7.594 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.513 10.173 7.735 1.00 0.00 N ATOM 0 H ARG A 31 -5.484 3.672 2.666 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.588 4.820 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.746 5.708 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.531 5.407 4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.247 7.311 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.839 7.695 4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.254 6.420 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.631 6.210 6.120 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.192 8.534 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.535 7.714 7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.794 9.237 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.562 10.473 7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.132 10.780 8.272 1.00 0.00 H new ATOM 480 N ARG A 32 -6.085 3.262 5.930 1.00 0.00 N ATOM 481 CA ARG A 32 -6.490 2.682 7.209 1.00 0.00 C ATOM 482 C ARG A 32 -5.920 1.280 7.426 1.00 0.00 C ATOM 483 O ARG A 32 -6.081 0.717 8.505 1.00 0.00 O ATOM 484 CB ARG A 32 -8.016 2.684 7.271 1.00 0.00 C ATOM 485 CG ARG A 32 -8.602 1.786 6.174 1.00 0.00 C ATOM 486 CD ARG A 32 -9.873 2.406 5.599 1.00 0.00 C ATOM 487 NE ARG A 32 -10.924 2.539 6.612 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.101 3.128 6.387 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.400 3.634 5.193 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.997 3.210 7.368 1.00 0.00 N ATOM 0 H ARG A 32 -6.788 3.186 5.195 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.082 3.288 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.346 2.335 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.389 3.701 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.868 1.645 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.824 0.800 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.642 3.387 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.237 1.790 4.777 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.746 2.160 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.725 3.576 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.304 4.080 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.783 2.824 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.897 3.659 7.200 1.00 0.00 H new ATOM 504 N VAL A 33 -5.256 0.723 6.412 1.00 0.00 N ATOM 505 CA VAL A 33 -4.578 -0.567 6.517 1.00 0.00 C ATOM 506 C VAL A 33 -3.129 -0.387 6.956 1.00 0.00 C ATOM 507 O VAL A 33 -2.492 -1.347 7.389 1.00 0.00 O ATOM 508 CB VAL A 33 -4.640 -1.259 5.155 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.601 -2.367 5.001 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.017 -1.895 4.999 1.00 0.00 C ATOM 0 H VAL A 33 -5.174 1.156 5.492 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.075 -1.179 7.270 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.440 -0.500 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.695 -2.820 4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.602 -1.947 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.763 -3.127 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.080 -2.394 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.173 -2.624 5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.784 -1.122 5.059 1.00 0.00 H new ATOM 520 N PHE A 34 -2.599 0.831 6.853 1.00 0.00 N ATOM 521 CA PHE A 34 -1.208 1.095 7.179 1.00 0.00 C ATOM 522 C PHE A 34 -1.089 2.130 8.287 1.00 0.00 C ATOM 523 O PHE A 34 -0.222 2.004 9.148 1.00 0.00 O ATOM 524 CB PHE A 34 -0.499 1.567 5.913 1.00 0.00 C ATOM 525 CG PHE A 34 0.031 0.439 5.073 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.212 -0.201 5.460 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.643 0.037 3.916 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.716 -1.263 4.695 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.136 -1.014 3.144 1.00 0.00 C ATOM 530 CZ PHE A 34 1.042 -1.670 3.535 1.00 0.00 C ATOM 0 H PHE A 34 -3.120 1.652 6.544 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.740 0.182 7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.192 2.160 5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.326 2.223 6.190 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.736 0.122 6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.553 0.537 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.622 -1.766 4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.652 -1.321 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.428 -2.487 2.943 1.00 0.00 H new ATOM 540 N GLU A 35 -1.942 3.153 8.285 1.00 0.00 N ATOM 541 CA GLU A 35 -1.855 4.152 9.336 1.00 0.00 C ATOM 542 C GLU A 35 -2.254 3.546 10.678 1.00 0.00 C ATOM 543 O GLU A 35 -1.952 4.105 11.726 1.00 0.00 O ATOM 544 CB GLU A 35 -2.711 5.379 9.003 1.00 0.00 C ATOM 545 CG GLU A 35 -4.189 5.235 9.372 1.00 0.00 C ATOM 546 CD GLU A 35 -4.460 5.550 10.847 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.968 6.598 11.314 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.156 4.738 11.492 1.00 0.00 O ATOM 0 H GLU A 35 -2.675 3.306 7.592 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.820 4.486 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.302 6.245 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.633 5.582 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.783 5.902 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.517 4.218 9.155 1.00 0.00 H new ATOM 555 N LYS A 36 -2.936 2.396 10.630 1.00 0.00 N ATOM 556 CA LYS A 36 -3.437 1.731 11.815 1.00 0.00 C ATOM 557 C LYS A 36 -2.310 1.358 12.766 1.00 0.00 C ATOM 558 O LYS A 36 -2.506 1.351 13.978 1.00 0.00 O ATOM 559 CB LYS A 36 -4.213 0.483 11.396 1.00 0.00 C ATOM 560 CG LYS A 36 -3.301 -0.560 10.740 1.00 0.00 C ATOM 561 CD LYS A 36 -4.081 -1.695 10.084 1.00 0.00 C ATOM 562 CE LYS A 36 -5.164 -2.244 11.007 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.767 -3.470 10.451 1.00 0.00 N ATOM 0 H LYS A 36 -3.151 1.908 9.761 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.096 2.417 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.697 0.045 12.269 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.004 0.763 10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.678 -0.072 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.629 -0.974 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.537 -1.337 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.395 -2.497 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.737 -2.458 11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.937 -1.490 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.500 -3.821 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.195 -3.258 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.032 -4.196 10.334 1.00 0.00 H new ATOM 577 N TYR A 37 -1.134 1.048 12.215 1.00 0.00 N ATOM 578 CA TYR A 37 0.009 0.691 13.028 1.00 0.00 C ATOM 579 C TYR A 37 0.635 1.921 13.680 1.00 0.00 C ATOM 580 O TYR A 37 1.339 1.800 14.681 1.00 0.00 O ATOM 581 CB TYR A 37 1.041 -0.024 12.164 1.00 0.00 C ATOM 582 CG TYR A 37 0.505 -1.310 11.581 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.577 -2.490 12.333 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.070 -1.324 10.304 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.068 -3.687 11.816 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.575 -2.517 9.774 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.513 -3.704 10.530 1.00 0.00 C ATOM 588 OH TYR A 37 -1.023 -4.860 10.023 1.00 0.00 O ATOM 0 H TYR A 37 -0.958 1.040 11.210 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.329 0.028 13.825 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.355 0.636 11.356 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.926 -0.240 12.762 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.027 -2.476 13.315 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.124 -0.413 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.120 -4.594 12.399 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.012 -2.527 8.786 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.326 -5.334 9.524 1.00 0.00 H new ATOM 598 N GLY A 38 0.381 3.105 13.116 1.00 0.00 N ATOM 599 CA GLY A 38 0.841 4.354 13.699 1.00 0.00 C ATOM 600 C GLY A 38 0.288 5.557 12.947 1.00 0.00 C ATOM 601 O GLY A 38 -0.518 6.306 13.498 1.00 0.00 O ATOM 0 H GLY A 38 -0.145 3.218 12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.534 4.404 14.744 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.930 4.384 13.685 1.00 0.00 H new ATOM 605 N ARG A 39 0.715 5.743 11.695 1.00 0.00 N ATOM 606 CA ARG A 39 0.222 6.823 10.853 1.00 0.00 C ATOM 607 C ARG A 39 0.683 6.630 9.417 1.00 0.00 C ATOM 608 O ARG A 39 1.544 5.798 9.144 1.00 0.00 O ATOM 609 CB ARG A 39 0.753 8.161 11.379 1.00 0.00 C ATOM 610 CG ARG A 39 -0.167 9.341 11.065 1.00 0.00 C ATOM 611 CD ARG A 39 -1.520 9.152 11.744 1.00 0.00 C ATOM 612 NE ARG A 39 -2.328 10.378 11.666 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.662 10.409 11.697 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.378 9.293 11.782 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.289 11.580 11.642 1.00 0.00 N ATOM 0 H ARG A 39 1.410 5.149 11.243 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.868 6.819 10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.888 8.092 12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.735 8.350 10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.292 10.269 11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.302 9.429 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.056 8.329 11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.371 8.877 12.788 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.835 11.267 11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.909 8.388 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.397 9.341 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.751 12.444 11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.308 11.614 11.665 1.00 0.00 H new ATOM 629 N VAL A 40 0.101 7.412 8.510 1.00 0.00 N ATOM 630 CA VAL A 40 0.467 7.417 7.104 1.00 0.00 C ATOM 631 C VAL A 40 0.703 8.860 6.678 1.00 0.00 C ATOM 632 O VAL A 40 -0.239 9.602 6.398 1.00 0.00 O ATOM 633 CB VAL A 40 -0.632 6.745 6.277 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.466 6.990 4.787 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.581 5.234 6.434 1.00 0.00 C ATOM 0 H VAL A 40 -0.647 8.067 8.739 1.00 0.00 H new ATOM 0 HA VAL A 40 1.383 6.849 6.938 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.566 7.172 6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.270 6.493 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.502 8.061 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.494 6.592 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.372 4.779 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.387 4.865 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.722 4.972 7.483 1.00 0.00 H new ATOM 645 N GLY A 41 1.980 9.243 6.634 1.00 0.00 N ATOM 646 CA GLY A 41 2.400 10.570 6.208 1.00 0.00 C ATOM 647 C GLY A 41 1.975 10.882 4.778 1.00 0.00 C ATOM 648 O GLY A 41 1.761 12.046 4.444 1.00 0.00 O ATOM 0 H GLY A 41 2.754 8.633 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.977 11.316 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.484 10.648 6.287 1.00 0.00 H new ATOM 652 N ASP A 42 1.851 9.852 3.935 1.00 0.00 N ATOM 653 CA ASP A 42 1.470 9.990 2.536 1.00 0.00 C ATOM 654 C ASP A 42 0.891 8.671 2.038 1.00 0.00 C ATOM 655 O ASP A 42 1.351 7.601 2.429 1.00 0.00 O ATOM 656 CB ASP A 42 2.715 10.308 1.704 1.00 0.00 C ATOM 657 CG ASP A 42 3.096 11.781 1.758 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.243 12.612 1.371 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.239 12.069 2.182 1.00 0.00 O ATOM 0 H ASP A 42 2.016 8.885 4.216 1.00 0.00 H new ATOM 0 HA ASP A 42 0.733 10.788 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.551 9.707 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.538 10.020 0.668 1.00 0.00 H new ATOM 664 N VAL A 43 -0.117 8.736 1.168 1.00 0.00 N ATOM 665 CA VAL A 43 -0.697 7.544 0.571 1.00 0.00 C ATOM 666 C VAL A 43 -1.207 7.914 -0.820 1.00 0.00 C ATOM 667 O VAL A 43 -2.117 8.734 -0.959 1.00 0.00 O ATOM 668 CB VAL A 43 -1.782 6.976 1.508 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.211 7.384 1.173 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.708 5.456 1.604 1.00 0.00 C ATOM 0 H VAL A 43 -0.547 9.609 0.863 1.00 0.00 H new ATOM 0 HA VAL A 43 0.036 6.747 0.448 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.548 7.430 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.896 6.932 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.300 8.469 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.461 7.042 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.489 5.095 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.849 5.022 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.733 5.163 1.993 1.00 0.00 H new ATOM 680 N TYR A 44 -0.622 7.322 -1.862 1.00 0.00 N ATOM 681 CA TYR A 44 -1.095 7.573 -3.219 1.00 0.00 C ATOM 682 C TYR A 44 -0.764 6.414 -4.147 1.00 0.00 C ATOM 683 O TYR A 44 0.025 5.536 -3.800 1.00 0.00 O ATOM 684 CB TYR A 44 -0.509 8.886 -3.754 1.00 0.00 C ATOM 685 CG TYR A 44 0.844 8.761 -4.416 1.00 0.00 C ATOM 686 CD1 TYR A 44 0.906 8.484 -5.787 1.00 0.00 C ATOM 687 CD2 TYR A 44 2.024 8.925 -3.679 1.00 0.00 C ATOM 688 CE1 TYR A 44 2.143 8.382 -6.434 1.00 0.00 C ATOM 689 CE2 TYR A 44 3.271 8.834 -4.320 1.00 0.00 C ATOM 690 CZ TYR A 44 3.334 8.562 -5.698 1.00 0.00 C ATOM 691 OH TYR A 44 4.545 8.474 -6.315 1.00 0.00 O ATOM 0 H TYR A 44 0.165 6.677 -1.793 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.181 7.665 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.210 9.313 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.428 9.593 -2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.006 8.348 -6.349 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.975 9.121 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.186 8.167 -7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.181 8.973 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 44 4.986 7.639 -6.052 1.00 0.00 H new ATOM 701 N ILE A 45 -1.373 6.419 -5.336 1.00 0.00 N ATOM 702 CA ILE A 45 -1.184 5.382 -6.335 1.00 0.00 C ATOM 703 C ILE A 45 -0.715 6.039 -7.645 1.00 0.00 C ATOM 704 O ILE A 45 -1.463 6.811 -8.245 1.00 0.00 O ATOM 705 CB ILE A 45 -2.491 4.597 -6.534 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.794 3.577 -5.434 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.405 3.781 -7.820 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.012 4.201 -4.059 1.00 0.00 C ATOM 0 H ILE A 45 -2.017 7.154 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.424 4.673 -6.006 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.271 5.358 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.683 3.011 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.970 2.866 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.332 3.225 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.252 4.451 -8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.570 3.084 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.222 3.416 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.115 4.743 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.855 4.890 -4.102 1.00 0.00 H new ATOM 720 N PRO A 46 0.515 5.741 -8.089 1.00 0.00 N ATOM 721 CA PRO A 46 1.117 6.228 -9.328 1.00 0.00 C ATOM 722 C PRO A 46 0.506 5.580 -10.576 1.00 0.00 C ATOM 723 O PRO A 46 1.216 5.312 -11.545 1.00 0.00 O ATOM 724 CB PRO A 46 2.604 5.912 -9.199 1.00 0.00 C ATOM 725 CG PRO A 46 2.623 4.681 -8.305 1.00 0.00 C ATOM 726 CD PRO A 46 1.443 4.891 -7.372 1.00 0.00 C ATOM 0 HA PRO A 46 0.935 7.295 -9.459 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.058 5.712 -10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.154 6.741 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.516 3.764 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.560 4.602 -7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.979 3.940 -7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.761 5.359 -6.440 1.00 0.00 H new ATOM 734 N ARG A 47 -0.805 5.324 -10.558 1.00 0.00 N ATOM 735 CA ARG A 47 -1.514 4.700 -11.675 1.00 0.00 C ATOM 736 C ARG A 47 -1.559 5.600 -12.916 1.00 0.00 C ATOM 737 O ARG A 47 -0.852 6.602 -13.003 1.00 0.00 O ATOM 738 CB ARG A 47 -2.925 4.267 -11.258 1.00 0.00 C ATOM 739 CG ARG A 47 -3.810 5.457 -10.905 1.00 0.00 C ATOM 740 CD ARG A 47 -5.204 4.990 -10.492 1.00 0.00 C ATOM 741 NE ARG A 47 -5.935 4.442 -11.637 1.00 0.00 N ATOM 742 CZ ARG A 47 -7.098 3.795 -11.550 1.00 0.00 C ATOM 743 NH1 ARG A 47 -7.699 3.617 -10.375 1.00 0.00 N ATOM 744 NH2 ARG A 47 -7.666 3.317 -12.655 1.00 0.00 N ATOM 0 H ARG A 47 -1.406 5.545 -9.764 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.948 3.810 -11.951 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.385 3.702 -12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.860 3.598 -10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.356 6.026 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.885 6.128 -11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.122 4.233 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.760 5.826 -10.067 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.527 4.563 -12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.270 3.978 -9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.588 3.120 -10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.212 3.447 -13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.555 2.821 -12.598 1.00 0.00 H new ATOM 758 N ASP A 48 -2.407 5.215 -13.871 1.00 0.00 N ATOM 759 CA ASP A 48 -2.572 5.866 -15.161 1.00 0.00 C ATOM 760 C ASP A 48 -2.950 7.349 -15.075 1.00 0.00 C ATOM 761 O ASP A 48 -3.092 7.924 -13.995 1.00 0.00 O ATOM 762 CB ASP A 48 -3.690 5.142 -15.908 1.00 0.00 C ATOM 763 CG ASP A 48 -5.054 5.617 -15.407 1.00 0.00 C ATOM 764 OD1 ASP A 48 -5.425 5.247 -14.271 1.00 0.00 O ATOM 765 OD2 ASP A 48 -5.713 6.355 -16.170 1.00 0.00 O ATOM 0 H ASP A 48 -3.020 4.408 -13.757 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.608 5.815 -15.667 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.602 5.329 -16.978 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.596 4.066 -15.764 1.00 0.00 H new ATOM 770 N ARG A 49 -3.121 7.961 -16.254 1.00 0.00 N ATOM 771 CA ARG A 49 -3.607 9.326 -16.401 1.00 0.00 C ATOM 772 C ARG A 49 -4.497 9.444 -17.639 1.00 0.00 C ATOM 773 O ARG A 49 -4.986 10.530 -17.942 1.00 0.00 O ATOM 774 CB ARG A 49 -2.392 10.266 -16.450 1.00 0.00 C ATOM 775 CG ARG A 49 -2.748 11.753 -16.560 1.00 0.00 C ATOM 776 CD ARG A 49 -3.754 12.178 -15.487 1.00 0.00 C ATOM 777 NE ARG A 49 -4.084 13.602 -15.603 1.00 0.00 N ATOM 778 CZ ARG A 49 -4.933 14.111 -16.499 1.00 0.00 C ATOM 779 NH1 ARG A 49 -5.539 13.324 -17.383 1.00 0.00 N ATOM 780 NH2 ARG A 49 -5.182 15.416 -16.509 1.00 0.00 N ATOM 0 H ARG A 49 -2.920 7.507 -17.145 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.229 9.611 -15.552 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.793 10.113 -15.552 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.768 9.990 -17.300 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.842 12.352 -16.466 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.163 11.955 -17.548 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.662 11.583 -15.580 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.342 11.977 -14.498 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.634 14.248 -14.955 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.357 12.320 -17.381 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.186 13.724 -18.063 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.725 16.028 -15.833 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.830 15.806 -17.193 1.00 0.00 H new ATOM 794 N TYR A 50 -4.716 8.339 -18.363 1.00 0.00 N ATOM 795 CA TYR A 50 -5.462 8.348 -19.611 1.00 0.00 C ATOM 796 C TYR A 50 -6.129 6.998 -19.908 1.00 0.00 C ATOM 797 O TYR A 50 -6.478 6.724 -21.056 1.00 0.00 O ATOM 798 CB TYR A 50 -4.504 8.743 -20.739 1.00 0.00 C ATOM 799 CG TYR A 50 -3.223 7.938 -20.794 1.00 0.00 C ATOM 800 CD1 TYR A 50 -3.174 6.740 -21.521 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.082 8.393 -20.117 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.986 5.993 -21.572 1.00 0.00 C ATOM 803 CE2 TYR A 50 -0.890 7.654 -20.165 1.00 0.00 C ATOM 804 CZ TYR A 50 -0.838 6.449 -20.896 1.00 0.00 C ATOM 805 OH TYR A 50 0.317 5.724 -20.952 1.00 0.00 O ATOM 0 H TYR A 50 -4.377 7.416 -18.092 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.273 9.071 -19.528 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.024 8.638 -21.691 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.250 9.797 -20.629 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.052 6.391 -22.043 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.121 9.315 -19.557 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.953 5.069 -22.130 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.013 8.008 -19.643 1.00 0.00 H new ATOM 0 HH TYR A 50 1.014 6.178 -20.433 1.00 0.00 H new ATOM 815 N THR A 51 -6.316 6.144 -18.894 1.00 0.00 N ATOM 816 CA THR A 51 -6.931 4.829 -19.069 1.00 0.00 C ATOM 817 C THR A 51 -7.945 4.555 -17.955 1.00 0.00 C ATOM 818 O THR A 51 -8.426 5.480 -17.299 1.00 0.00 O ATOM 819 CB THR A 51 -5.872 3.718 -19.131 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.270 3.548 -17.872 1.00 0.00 O ATOM 821 CG2 THR A 51 -4.786 4.020 -20.158 1.00 0.00 C ATOM 0 H THR A 51 -6.045 6.348 -17.932 1.00 0.00 H new ATOM 0 HA THR A 51 -7.460 4.832 -20.022 1.00 0.00 H new ATOM 0 HB THR A 51 -6.387 2.805 -19.430 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.598 2.836 -17.924 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.059 3.208 -20.168 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.236 4.116 -21.146 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.286 4.952 -19.895 1.00 0.00 H new ATOM 828 N LYS A 52 -8.275 3.277 -17.742 1.00 0.00 N ATOM 829 CA LYS A 52 -9.270 2.851 -16.758 1.00 0.00 C ATOM 830 C LYS A 52 -8.700 1.754 -15.858 1.00 0.00 C ATOM 831 O LYS A 52 -9.447 0.948 -15.308 1.00 0.00 O ATOM 832 CB LYS A 52 -10.559 2.388 -17.448 1.00 0.00 C ATOM 833 CG LYS A 52 -11.292 3.502 -18.204 1.00 0.00 C ATOM 834 CD LYS A 52 -10.791 3.663 -19.638 1.00 0.00 C ATOM 835 CE LYS A 52 -11.616 4.734 -20.351 1.00 0.00 C ATOM 836 NZ LYS A 52 -11.191 4.901 -21.755 1.00 0.00 N ATOM 0 H LYS A 52 -7.853 2.503 -18.254 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.520 3.707 -16.130 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.318 1.586 -18.146 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.230 1.968 -16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.360 3.285 -18.218 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.165 4.444 -17.670 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.737 3.942 -19.637 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.869 2.715 -20.170 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.671 4.463 -20.319 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.515 5.683 -19.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.772 5.635 -22.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.191 5.184 -21.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.311 4.002 -22.263 1.00 0.00 H new ATOM 850 N GLU A 53 -7.374 1.712 -15.707 1.00 0.00 N ATOM 851 CA GLU A 53 -6.699 0.695 -14.910 1.00 0.00 C ATOM 852 C GLU A 53 -5.509 1.304 -14.171 1.00 0.00 C ATOM 853 O GLU A 53 -5.298 2.514 -14.231 1.00 0.00 O ATOM 854 CB GLU A 53 -6.267 -0.461 -15.818 1.00 0.00 C ATOM 855 CG GLU A 53 -5.258 -0.020 -16.880 1.00 0.00 C ATOM 856 CD GLU A 53 -4.861 -1.198 -17.765 1.00 0.00 C ATOM 857 OE1 GLU A 53 -5.557 -1.415 -18.784 1.00 0.00 O ATOM 858 OE2 GLU A 53 -3.868 -1.876 -17.421 1.00 0.00 O ATOM 0 H GLU A 53 -6.740 2.386 -16.137 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.384 0.303 -14.159 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.829 -1.253 -15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.145 -0.883 -16.307 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.689 0.773 -17.492 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.373 0.395 -16.398 1.00 0.00 H new ATOM 865 N SER A 54 -4.718 0.481 -13.473 1.00 0.00 N ATOM 866 CA SER A 54 -3.611 0.977 -12.669 1.00 0.00 C ATOM 867 C SER A 54 -2.320 0.252 -13.034 1.00 0.00 C ATOM 868 O SER A 54 -2.348 -0.812 -13.648 1.00 0.00 O ATOM 869 CB SER A 54 -3.922 0.783 -11.183 1.00 0.00 C ATOM 870 OG SER A 54 -5.122 1.444 -10.850 1.00 0.00 O ATOM 0 H SER A 54 -4.830 -0.533 -13.453 1.00 0.00 H new ATOM 0 HA SER A 54 -3.479 2.040 -12.871 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.008 -0.280 -10.957 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.103 1.172 -10.578 1.00 0.00 H new ATOM 0 HG SER A 54 -5.314 1.313 -9.898 1.00 0.00 H new ATOM 876 N ARG A 55 -1.177 0.835 -12.650 1.00 0.00 N ATOM 877 CA ARG A 55 0.137 0.286 -12.968 1.00 0.00 C ATOM 878 C ARG A 55 0.434 -0.985 -12.175 1.00 0.00 C ATOM 879 O ARG A 55 1.358 -1.717 -12.518 1.00 0.00 O ATOM 880 CB ARG A 55 1.213 1.340 -12.682 1.00 0.00 C ATOM 881 CG ARG A 55 1.078 2.555 -13.608 1.00 0.00 C ATOM 882 CD ARG A 55 1.422 2.187 -15.051 1.00 0.00 C ATOM 883 NE ARG A 55 1.277 3.348 -15.935 1.00 0.00 N ATOM 884 CZ ARG A 55 1.066 3.267 -17.252 1.00 0.00 C ATOM 885 NH1 ARG A 55 0.981 2.087 -17.861 1.00 0.00 N ATOM 886 NH2 ARG A 55 0.938 4.371 -17.971 1.00 0.00 N ATOM 0 H ARG A 55 -1.143 1.700 -12.111 1.00 0.00 H new ATOM 0 HA ARG A 55 0.142 0.021 -14.025 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.138 1.664 -11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.200 0.895 -12.807 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.060 2.941 -13.561 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.738 3.352 -13.266 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.444 1.812 -15.101 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.770 1.382 -15.391 1.00 0.00 H new ATOM 0 HE ARG A 55 1.341 4.277 -15.518 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.077 1.227 -17.322 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.820 2.043 -18.867 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.000 5.284 -17.520 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.777 4.309 -18.976 1.00 0.00 H new ATOM 900 N GLY A 56 -0.343 -1.247 -11.122 1.00 0.00 N ATOM 901 CA GLY A 56 -0.218 -2.476 -10.345 1.00 0.00 C ATOM 902 C GLY A 56 0.492 -2.263 -9.009 1.00 0.00 C ATOM 903 O GLY A 56 0.792 -3.236 -8.319 1.00 0.00 O ATOM 0 H GLY A 56 -1.071 -0.616 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.211 -2.887 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.330 -3.215 -10.929 1.00 0.00 H new ATOM 907 N PHE A 57 0.765 -1.010 -8.631 1.00 0.00 N ATOM 908 CA PHE A 57 1.454 -0.699 -7.382 1.00 0.00 C ATOM 909 C PHE A 57 1.022 0.663 -6.854 1.00 0.00 C ATOM 910 O PHE A 57 0.521 1.506 -7.601 1.00 0.00 O ATOM 911 CB PHE A 57 2.962 -0.733 -7.608 1.00 0.00 C ATOM 912 CG PHE A 57 3.529 0.457 -8.349 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.259 0.648 -9.714 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.334 1.373 -7.660 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.804 1.754 -10.385 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.888 2.476 -8.334 1.00 0.00 C ATOM 917 CZ PHE A 57 4.609 2.670 -9.696 1.00 0.00 C ATOM 0 H PHE A 57 0.514 -0.189 -9.182 1.00 0.00 H new ATOM 0 HA PHE A 57 1.189 -1.448 -6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.457 -0.807 -6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.210 -1.638 -8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.634 -0.054 -10.246 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.530 1.232 -6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.602 1.899 -11.436 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.525 3.170 -7.806 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.016 3.527 -10.213 1.00 0.00 H new ATOM 927 N ALA A 58 1.226 0.859 -5.551 1.00 0.00 N ATOM 928 CA ALA A 58 0.888 2.082 -4.854 1.00 0.00 C ATOM 929 C ALA A 58 2.172 2.751 -4.389 1.00 0.00 C ATOM 930 O ALA A 58 3.258 2.454 -4.880 1.00 0.00 O ATOM 931 CB ALA A 58 -0.019 1.753 -3.668 1.00 0.00 C ATOM 0 H ALA A 58 1.640 0.151 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 58 0.354 2.765 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.276 2.672 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.930 1.275 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.501 1.078 -2.989 1.00 0.00 H new ATOM 937 N PHE A 59 2.034 3.660 -3.431 1.00 0.00 N ATOM 938 CA PHE A 59 3.141 4.388 -2.852 1.00 0.00 C ATOM 939 C PHE A 59 2.675 4.937 -1.527 1.00 0.00 C ATOM 940 O PHE A 59 2.549 6.147 -1.348 1.00 0.00 O ATOM 941 CB PHE A 59 3.581 5.479 -3.830 1.00 0.00 C ATOM 942 CG PHE A 59 5.076 5.656 -3.966 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.888 5.904 -2.848 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.653 5.575 -5.242 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.271 6.087 -3.013 1.00 0.00 C ATOM 946 CE2 PHE A 59 7.032 5.748 -5.405 1.00 0.00 C ATOM 947 CZ PHE A 59 7.840 6.011 -4.293 1.00 0.00 C ATOM 0 H PHE A 59 1.130 3.912 -3.032 1.00 0.00 H new ATOM 0 HA PHE A 59 4.010 3.755 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.167 5.252 -4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.146 6.427 -3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.450 5.954 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.030 5.378 -6.102 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.896 6.286 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.473 5.679 -6.389 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.903 6.156 -4.420 1.00 0.00 H new ATOM 957 N VAL A 60 2.413 4.032 -0.580 1.00 0.00 N ATOM 958 CA VAL A 60 2.194 4.585 0.748 1.00 0.00 C ATOM 959 C VAL A 60 3.563 4.988 1.260 1.00 0.00 C ATOM 960 O VAL A 60 4.509 4.221 1.107 1.00 0.00 O ATOM 961 CB VAL A 60 1.470 3.676 1.740 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.428 2.750 1.111 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.382 2.975 2.748 1.00 0.00 C ATOM 0 H VAL A 60 2.352 3.020 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 60 1.506 5.426 0.660 1.00 0.00 H new ATOM 0 HB VAL A 60 0.889 4.377 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.035 2.142 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.336 3.347 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.912 2.100 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.781 2.352 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.101 2.351 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.915 3.721 3.337 1.00 0.00 H new ATOM 973 N ARG A 61 3.668 6.175 1.857 1.00 0.00 N ATOM 974 CA ARG A 61 4.921 6.652 2.404 1.00 0.00 C ATOM 975 C ARG A 61 4.730 7.125 3.818 1.00 0.00 C ATOM 976 O ARG A 61 3.808 7.863 4.151 1.00 0.00 O ATOM 977 CB ARG A 61 5.541 7.696 1.484 1.00 0.00 C ATOM 978 CG ARG A 61 6.451 8.663 2.242 1.00 0.00 C ATOM 979 CD ARG A 61 7.107 9.617 1.250 1.00 0.00 C ATOM 980 NE ARG A 61 6.128 10.562 0.697 1.00 0.00 N ATOM 981 CZ ARG A 61 5.903 10.755 -0.606 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.549 10.052 -1.531 1.00 0.00 N ATOM 983 NH2 ARG A 61 5.019 11.670 -0.993 1.00 0.00 N ATOM 0 H ARG A 61 2.888 6.823 1.971 1.00 0.00 H new ATOM 0 HA ARG A 61 5.637 5.832 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.114 7.196 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.749 8.257 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.874 9.224 2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.213 8.109 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.908 10.167 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.564 9.047 0.441 1.00 0.00 H new ATOM 0 HE ARG A 61 5.579 11.112 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.233 9.348 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.361 10.216 -2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.517 12.220 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.843 11.821 -1.986 1.00 0.00 H new ATOM 997 N PHE A 62 5.666 6.660 4.640 1.00 0.00 N ATOM 998 CA PHE A 62 5.636 6.970 6.059 1.00 0.00 C ATOM 999 C PHE A 62 6.669 8.040 6.351 1.00 0.00 C ATOM 1000 O PHE A 62 7.690 8.106 5.675 1.00 0.00 O ATOM 1001 CB PHE A 62 5.879 5.716 6.889 1.00 0.00 C ATOM 1002 CG PHE A 62 4.643 4.861 7.055 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.722 4.697 6.006 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.410 4.247 8.292 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.554 3.946 6.194 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.260 3.478 8.478 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.337 3.333 7.438 1.00 0.00 C ATOM 0 H PHE A 62 6.447 6.072 4.348 1.00 0.00 H new ATOM 0 HA PHE A 62 4.651 7.348 6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.662 5.123 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.247 6.006 7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.916 5.154 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.117 4.368 9.099 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.834 3.841 5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.083 2.994 9.427 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.446 2.742 7.594 1.00 0.00 H new ATOM 1017 N HIS A 63 6.370 8.851 7.368 1.00 0.00 N ATOM 1018 CA HIS A 63 7.178 9.974 7.815 1.00 0.00 C ATOM 1019 C HIS A 63 8.086 9.570 8.979 1.00 0.00 C ATOM 1020 O HIS A 63 8.906 10.366 9.434 1.00 0.00 O ATOM 1021 CB HIS A 63 6.219 11.088 8.262 1.00 0.00 C ATOM 1022 CG HIS A 63 5.186 10.572 9.235 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.399 9.533 10.142 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.902 11.016 9.365 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.241 9.373 10.796 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.327 10.260 10.358 1.00 0.00 N ATOM 0 H HIS A 63 5.522 8.733 7.922 1.00 0.00 H new ATOM 0 HA HIS A 63 7.819 10.314 7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.787 11.894 8.726 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.720 11.511 7.390 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.431 11.806 8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.065 8.636 11.566 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.372 10.354 10.704 1.00 0.00 H new ATOM 1034 N ASP A 64 7.936 8.332 9.462 1.00 0.00 N ATOM 1035 CA ASP A 64 8.671 7.815 10.602 1.00 0.00 C ATOM 1036 C ASP A 64 8.891 6.318 10.401 1.00 0.00 C ATOM 1037 O ASP A 64 7.929 5.553 10.319 1.00 0.00 O ATOM 1038 CB ASP A 64 7.872 8.095 11.877 1.00 0.00 C ATOM 1039 CG ASP A 64 8.653 7.745 13.143 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.576 6.908 13.051 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.316 8.319 14.202 1.00 0.00 O ATOM 0 H ASP A 64 7.287 7.656 9.059 1.00 0.00 H new ATOM 0 HA ASP A 64 9.643 8.300 10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.594 9.149 11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.945 7.522 11.855 1.00 0.00 H new ATOM 1046 N LYS A 65 10.158 5.899 10.325 1.00 0.00 N ATOM 1047 CA LYS A 65 10.499 4.503 10.106 1.00 0.00 C ATOM 1048 C LYS A 65 9.960 3.584 11.195 1.00 0.00 C ATOM 1049 O LYS A 65 9.771 2.401 10.933 1.00 0.00 O ATOM 1050 CB LYS A 65 12.013 4.350 9.984 1.00 0.00 C ATOM 1051 CG LYS A 65 12.712 4.659 11.310 1.00 0.00 C ATOM 1052 CD LYS A 65 14.226 4.731 11.119 1.00 0.00 C ATOM 1053 CE LYS A 65 14.744 3.433 10.509 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.203 3.497 10.294 1.00 0.00 N ATOM 0 H LYS A 65 10.965 6.517 10.414 1.00 0.00 H new ATOM 0 HA LYS A 65 10.021 4.199 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.254 3.334 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.387 5.019 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.345 5.605 11.708 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.469 3.889 12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.478 5.571 10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.712 4.910 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.506 2.597 11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.241 3.246 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.540 2.585 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.420 4.249 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.678 3.703 11.196 1.00 0.00 H new ATOM 1068 N ARG A 66 9.714 4.093 12.409 1.00 0.00 N ATOM 1069 CA ARG A 66 9.236 3.256 13.503 1.00 0.00 C ATOM 1070 C ARG A 66 7.819 2.770 13.215 1.00 0.00 C ATOM 1071 O ARG A 66 7.522 1.582 13.368 1.00 0.00 O ATOM 1072 CB ARG A 66 9.281 4.048 14.810 1.00 0.00 C ATOM 1073 CG ARG A 66 10.698 4.516 15.152 1.00 0.00 C ATOM 1074 CD ARG A 66 11.677 3.346 15.226 1.00 0.00 C ATOM 1075 NE ARG A 66 13.004 3.796 15.662 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.133 3.114 15.434 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.111 1.969 14.760 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.291 3.589 15.882 1.00 0.00 N ATOM 0 H ARG A 66 9.839 5.076 12.652 1.00 0.00 H new ATOM 0 HA ARG A 66 9.881 2.383 13.598 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.623 4.913 14.732 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.898 3.429 15.622 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.038 5.228 14.400 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.687 5.042 16.106 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.299 2.594 15.919 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.754 2.869 14.249 1.00 0.00 H new ATOM 0 HE ARG A 66 13.070 4.679 16.168 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.227 1.600 14.410 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.978 1.459 14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.316 4.469 16.397 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.154 3.073 15.711 1.00 0.00 H new ATOM 1092 N ASP A 67 6.941 3.684 12.798 1.00 0.00 N ATOM 1093 CA ASP A 67 5.581 3.318 12.444 1.00 0.00 C ATOM 1094 C ASP A 67 5.603 2.454 11.190 1.00 0.00 C ATOM 1095 O ASP A 67 4.723 1.616 10.996 1.00 0.00 O ATOM 1096 CB ASP A 67 4.744 4.576 12.197 1.00 0.00 C ATOM 1097 CG ASP A 67 4.597 5.424 13.460 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.437 4.824 14.548 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.643 6.668 13.330 1.00 0.00 O ATOM 0 H ASP A 67 7.152 4.677 12.700 1.00 0.00 H new ATOM 0 HA ASP A 67 5.133 2.757 13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.209 5.172 11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.756 4.289 11.836 1.00 0.00 H new ATOM 1104 N ALA A 68 6.611 2.652 10.337 1.00 0.00 N ATOM 1105 CA ALA A 68 6.760 1.899 9.111 1.00 0.00 C ATOM 1106 C ALA A 68 7.324 0.502 9.374 1.00 0.00 C ATOM 1107 O ALA A 68 7.012 -0.425 8.632 1.00 0.00 O ATOM 1108 CB ALA A 68 7.696 2.685 8.200 1.00 0.00 C ATOM 0 H ALA A 68 7.345 3.345 10.487 1.00 0.00 H new ATOM 0 HA ALA A 68 5.785 1.763 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.831 2.144 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.265 3.665 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.662 2.809 8.690 1.00 0.00 H new ATOM 1114 N GLU A 69 8.144 0.343 10.414 1.00 0.00 N ATOM 1115 CA GLU A 69 8.720 -0.941 10.765 1.00 0.00 C ATOM 1116 C GLU A 69 7.637 -1.929 11.149 1.00 0.00 C ATOM 1117 O GLU A 69 7.609 -3.044 10.633 1.00 0.00 O ATOM 1118 CB GLU A 69 9.653 -0.783 11.965 1.00 0.00 C ATOM 1119 CG GLU A 69 11.079 -0.470 11.516 1.00 0.00 C ATOM 1120 CD GLU A 69 12.023 -0.421 12.717 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.122 0.664 13.337 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.641 -1.470 13.005 1.00 0.00 O ATOM 0 H GLU A 69 8.423 1.105 11.032 1.00 0.00 H new ATOM 0 HA GLU A 69 9.267 -1.308 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.288 0.016 12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.647 -1.698 12.557 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.419 -1.228 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.099 0.485 10.991 1.00 0.00 H new ATOM 1129 N ASP A 70 6.737 -1.531 12.055 1.00 0.00 N ATOM 1130 CA ASP A 70 5.725 -2.467 12.513 1.00 0.00 C ATOM 1131 C ASP A 70 4.718 -2.763 11.406 1.00 0.00 C ATOM 1132 O ASP A 70 4.316 -3.911 11.219 1.00 0.00 O ATOM 1133 CB ASP A 70 5.019 -1.907 13.743 1.00 0.00 C ATOM 1134 CG ASP A 70 5.991 -1.589 14.880 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.827 -2.464 15.197 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.887 -0.468 15.428 1.00 0.00 O ATOM 0 H ASP A 70 6.693 -0.600 12.469 1.00 0.00 H new ATOM 0 HA ASP A 70 6.214 -3.404 12.781 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.478 -1.002 13.467 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.279 -2.627 14.092 1.00 0.00 H new ATOM 1141 N ALA A 71 4.306 -1.731 10.663 1.00 0.00 N ATOM 1142 CA ALA A 71 3.356 -1.909 9.583 1.00 0.00 C ATOM 1143 C ALA A 71 3.928 -2.856 8.531 1.00 0.00 C ATOM 1144 O ALA A 71 3.243 -3.776 8.096 1.00 0.00 O ATOM 1145 CB ALA A 71 3.027 -0.550 8.958 1.00 0.00 C ATOM 0 H ALA A 71 4.620 -0.770 10.796 1.00 0.00 H new ATOM 0 HA ALA A 71 2.440 -2.347 9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.313 -0.686 8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.595 0.104 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.939 -0.099 8.567 1.00 0.00 H new ATOM 1151 N MET A 72 5.179 -2.642 8.127 1.00 0.00 N ATOM 1152 CA MET A 72 5.851 -3.490 7.146 1.00 0.00 C ATOM 1153 C MET A 72 5.984 -4.917 7.672 1.00 0.00 C ATOM 1154 O MET A 72 5.728 -5.872 6.941 1.00 0.00 O ATOM 1155 CB MET A 72 7.225 -2.873 6.880 1.00 0.00 C ATOM 1156 CG MET A 72 8.151 -3.789 6.083 1.00 0.00 C ATOM 1157 SD MET A 72 9.529 -2.921 5.290 1.00 0.00 S ATOM 1158 CE MET A 72 9.970 -1.768 6.612 1.00 0.00 C ATOM 0 H MET A 72 5.755 -1.874 8.472 1.00 0.00 H new ATOM 0 HA MET A 72 5.275 -3.544 6.222 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.097 -1.936 6.338 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.697 -2.629 7.832 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.550 -4.555 6.748 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.569 -4.303 5.318 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.929 -1.302 6.384 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.203 -0.998 6.694 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.045 -2.308 7.556 1.00 0.00 H new ATOM 1168 N ASP A 73 6.378 -5.054 8.941 1.00 0.00 N ATOM 1169 CA ASP A 73 6.503 -6.350 9.584 1.00 0.00 C ATOM 1170 C ASP A 73 5.139 -7.026 9.747 1.00 0.00 C ATOM 1171 O ASP A 73 5.067 -8.186 10.154 1.00 0.00 O ATOM 1172 CB ASP A 73 7.194 -6.170 10.937 1.00 0.00 C ATOM 1173 CG ASP A 73 7.439 -7.506 11.642 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.139 -8.354 11.047 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.924 -7.669 12.773 1.00 0.00 O ATOM 0 H ASP A 73 6.617 -4.267 9.544 1.00 0.00 H new ATOM 0 HA ASP A 73 7.107 -7.003 8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.145 -5.658 10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.582 -5.532 11.574 1.00 0.00 H new ATOM 1180 N ALA A 74 4.057 -6.305 9.435 1.00 0.00 N ATOM 1181 CA ALA A 74 2.706 -6.828 9.557 1.00 0.00 C ATOM 1182 C ALA A 74 1.895 -6.666 8.267 1.00 0.00 C ATOM 1183 O ALA A 74 0.695 -6.935 8.270 1.00 0.00 O ATOM 1184 CB ALA A 74 2.038 -6.104 10.728 1.00 0.00 C ATOM 0 H ALA A 74 4.100 -5.345 9.092 1.00 0.00 H new ATOM 0 HA ALA A 74 2.748 -7.902 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.019 -6.472 10.850 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.603 -6.291 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.015 -5.033 10.528 1.00 0.00 H new ATOM 1190 N MET A 75 2.525 -6.237 7.165 1.00 0.00 N ATOM 1191 CA MET A 75 1.814 -6.007 5.914 1.00 0.00 C ATOM 1192 C MET A 75 2.529 -6.553 4.676 1.00 0.00 C ATOM 1193 O MET A 75 1.884 -6.713 3.644 1.00 0.00 O ATOM 1194 CB MET A 75 1.587 -4.508 5.720 1.00 0.00 C ATOM 1195 CG MET A 75 0.453 -3.986 6.601 1.00 0.00 C ATOM 1196 SD MET A 75 -1.155 -4.757 6.272 1.00 0.00 S ATOM 1197 CE MET A 75 -1.188 -4.582 4.469 1.00 0.00 C ATOM 0 H MET A 75 3.526 -6.044 7.121 1.00 0.00 H new ATOM 0 HA MET A 75 0.873 -6.550 6.004 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.505 -3.969 5.952 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.356 -4.308 4.674 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.715 -4.149 7.646 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.363 -2.909 6.459 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.180 -4.839 4.097 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.955 -3.552 4.199 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.450 -5.250 4.025 1.00 0.00 H new ATOM 1207 N ASP A 76 3.831 -6.847 4.733 1.00 0.00 N ATOM 1208 CA ASP A 76 4.512 -7.385 3.562 1.00 0.00 C ATOM 1209 C ASP A 76 3.979 -8.779 3.216 1.00 0.00 C ATOM 1210 O ASP A 76 4.156 -9.722 3.985 1.00 0.00 O ATOM 1211 CB ASP A 76 6.021 -7.420 3.803 1.00 0.00 C ATOM 1212 CG ASP A 76 6.755 -7.816 2.525 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.636 -7.054 1.536 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.426 -8.870 2.542 1.00 0.00 O ATOM 0 H ASP A 76 4.419 -6.724 5.557 1.00 0.00 H new ATOM 0 HA ASP A 76 4.313 -6.733 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.365 -6.442 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.252 -8.129 4.598 1.00 0.00 H new ATOM 1219 N GLY A 77 3.330 -8.907 2.057 1.00 0.00 N ATOM 1220 CA GLY A 77 2.742 -10.162 1.600 1.00 0.00 C ATOM 1221 C GLY A 77 1.551 -10.562 2.468 1.00 0.00 C ATOM 1222 O GLY A 77 1.304 -11.748 2.680 1.00 0.00 O ATOM 0 H GLY A 77 3.198 -8.134 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.422 -10.060 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.495 -10.950 1.625 1.00 0.00 H new ATOM 1226 N ALA A 78 0.826 -9.566 2.976 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.283 -9.776 3.895 1.00 0.00 C ATOM 1228 C ALA A 78 -1.624 -9.913 3.175 1.00 0.00 C ATOM 1229 O ALA A 78 -2.657 -10.032 3.833 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.325 -8.623 4.889 1.00 0.00 C ATOM 0 H ALA A 78 0.996 -8.584 2.757 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.117 -10.718 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.153 -8.771 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.612 -8.587 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.464 -7.685 4.352 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.605 -9.893 1.836 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.778 -10.057 0.978 1.00 0.00 C ATOM 1238 C VAL A 79 -4.041 -9.430 1.580 1.00 0.00 C ATOM 1239 O VAL A 79 -4.953 -10.116 2.039 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.941 -11.525 0.542 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.798 -12.508 1.698 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.228 -11.740 -0.227 1.00 0.00 C ATOM 0 H VAL A 79 -0.744 -9.758 1.307 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.610 -9.489 0.063 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.115 -11.736 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.923 -13.526 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.809 -12.403 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.560 -12.299 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.308 -12.788 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.077 -11.473 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.227 -11.115 -1.120 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.084 -8.094 1.578 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.266 -7.367 2.035 1.00 0.00 C ATOM 1254 C LEU A 80 -6.458 -7.487 1.072 1.00 0.00 C ATOM 1255 O LEU A 80 -7.528 -6.954 1.365 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.922 -5.901 2.335 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.424 -5.105 1.125 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.504 -4.807 0.088 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.875 -3.761 1.592 1.00 0.00 C ATOM 0 H LEU A 80 -3.316 -7.499 1.266 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.587 -7.840 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.807 -5.409 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.158 -5.872 3.112 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.666 -5.732 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.071 -4.241 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.913 -5.744 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.301 -4.224 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.520 -3.194 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.663 -3.201 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.049 -3.926 2.283 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.296 -8.172 -0.068 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.394 -8.342 -1.015 1.00 0.00 C ATOM 1273 C ASP A 81 -7.461 -9.777 -1.534 1.00 0.00 C ATOM 1274 O ASP A 81 -8.498 -10.425 -1.406 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.254 -7.357 -2.179 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.373 -7.551 -3.200 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -8.231 -8.458 -4.049 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -9.365 -6.790 -3.128 1.00 0.00 O ATOM 0 H ASP A 81 -5.421 -8.612 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.326 -8.133 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.276 -6.335 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.287 -7.496 -2.663 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.366 -10.277 -2.117 1.00 0.00 N ATOM 1284 CA GLY A 82 -6.303 -11.669 -2.555 1.00 0.00 C ATOM 1285 C GLY A 82 -5.203 -11.948 -3.575 1.00 0.00 C ATOM 1286 O GLY A 82 -5.358 -12.812 -4.440 1.00 0.00 O ATOM 0 H GLY A 82 -5.518 -9.739 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.148 -12.307 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.264 -11.947 -2.987 1.00 0.00 H new ATOM 1290 N ARG A 83 -4.095 -11.212 -3.474 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.898 -11.463 -4.261 1.00 0.00 C ATOM 1292 C ARG A 83 -1.682 -11.457 -3.356 1.00 0.00 C ATOM 1293 O ARG A 83 -0.892 -12.394 -3.422 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.775 -10.446 -5.403 1.00 0.00 C ATOM 1295 CG ARG A 83 -3.130 -9.013 -4.988 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.562 -8.025 -6.002 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.042 -8.317 -7.359 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.276 -8.321 -8.455 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -0.978 -8.031 -8.392 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -2.812 -8.618 -9.636 1.00 0.00 N ATOM 0 H ARG A 83 -4.008 -10.420 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.968 -12.448 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.754 -10.463 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.427 -10.751 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.212 -8.901 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.729 -8.802 -3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.847 -7.011 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.473 -8.066 -5.982 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.032 -8.533 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.550 -7.800 -7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.412 -8.040 -9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.805 -8.842 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.230 -8.622 -10.474 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.564 -10.407 -2.530 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.492 -10.101 -1.600 1.00 0.00 C ATOM 1316 C GLU A 84 -0.259 -8.598 -1.616 1.00 0.00 C ATOM 1317 O GLU A 84 -0.762 -7.886 -2.484 1.00 0.00 O ATOM 1318 CB GLU A 84 0.794 -10.864 -1.920 1.00 0.00 C ATOM 1319 CG GLU A 84 0.868 -12.104 -1.031 1.00 0.00 C ATOM 1320 CD GLU A 84 1.970 -13.066 -1.473 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.130 -12.605 -1.583 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.652 -14.255 -1.698 1.00 0.00 O ATOM 0 H GLU A 84 -2.289 -9.690 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.789 -10.424 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.810 -11.152 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.662 -10.227 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.046 -11.799 0.000 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.092 -12.620 -1.050 1.00 0.00 H new ATOM 1329 N LEU A 85 0.511 -8.121 -0.645 1.00 0.00 N ATOM 1330 CA LEU A 85 0.939 -6.736 -0.581 1.00 0.00 C ATOM 1331 C LEU A 85 2.465 -6.719 -0.525 1.00 0.00 C ATOM 1332 O LEU A 85 3.084 -7.765 -0.344 1.00 0.00 O ATOM 1333 CB LEU A 85 0.298 -6.108 0.665 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.439 -4.789 0.416 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.540 -3.667 0.119 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.421 -4.905 -0.750 1.00 0.00 C ATOM 0 H LEU A 85 0.857 -8.693 0.125 1.00 0.00 H new ATOM 0 HA LEU A 85 0.629 -6.158 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.403 -6.823 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.076 -5.938 1.409 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.993 -4.562 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.009 -2.741 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.212 -3.537 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.120 -3.916 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.925 -3.950 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.879 -5.173 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.160 -5.675 -0.528 1.00 0.00 H new ATOM 1348 N ARG A 86 3.080 -5.551 -0.688 1.00 0.00 N ATOM 1349 CA ARG A 86 4.530 -5.427 -0.632 1.00 0.00 C ATOM 1350 C ARG A 86 4.887 -4.167 0.122 1.00 0.00 C ATOM 1351 O ARG A 86 4.324 -3.107 -0.135 1.00 0.00 O ATOM 1352 CB ARG A 86 5.112 -5.357 -2.046 1.00 0.00 C ATOM 1353 CG ARG A 86 4.933 -6.664 -2.818 1.00 0.00 C ATOM 1354 CD ARG A 86 5.701 -7.789 -2.131 1.00 0.00 C ATOM 1355 NE ARG A 86 5.656 -9.021 -2.926 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.982 -10.120 -2.574 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.270 -10.153 -1.451 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.012 -11.209 -3.339 1.00 0.00 N ATOM 0 H ARG A 86 2.591 -4.673 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 86 4.945 -6.297 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.631 -4.547 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.173 -5.116 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.875 -6.919 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.289 -6.543 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.738 -7.487 -1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.277 -7.974 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 86 6.173 -9.040 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.233 -9.333 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.760 -10.999 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.553 -11.210 -4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.494 -12.042 -3.061 1.00 0.00 H new ATOM 1372 N VAL A 87 5.829 -4.289 1.055 1.00 0.00 N ATOM 1373 CA VAL A 87 6.213 -3.165 1.883 1.00 0.00 C ATOM 1374 C VAL A 87 7.720 -3.120 2.066 1.00 0.00 C ATOM 1375 O VAL A 87 8.365 -4.138 2.312 1.00 0.00 O ATOM 1376 CB VAL A 87 5.495 -3.271 3.229 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.697 -1.961 3.979 1.00 0.00 C ATOM 1378 CG2 VAL A 87 4.009 -3.590 3.078 1.00 0.00 C ATOM 0 H VAL A 87 6.334 -5.153 1.250 1.00 0.00 H new ATOM 0 HA VAL A 87 5.920 -2.236 1.395 1.00 0.00 H new ATOM 0 HB VAL A 87 5.923 -4.102 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.193 -2.013 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.762 -1.791 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.280 -1.140 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.549 -3.654 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.524 -2.802 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.892 -4.542 2.561 1.00 0.00 H new ATOM 1388 N GLN A 88 8.272 -1.912 1.938 1.00 0.00 N ATOM 1389 CA GLN A 88 9.706 -1.660 1.999 1.00 0.00 C ATOM 1390 C GLN A 88 9.977 -0.161 2.111 1.00 0.00 C ATOM 1391 O GLN A 88 9.200 0.658 1.630 1.00 0.00 O ATOM 1392 CB GLN A 88 10.371 -2.217 0.737 1.00 0.00 C ATOM 1393 CG GLN A 88 9.654 -1.762 -0.536 1.00 0.00 C ATOM 1394 CD GLN A 88 10.386 -2.219 -1.790 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.603 -2.396 -1.795 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.649 -2.417 -2.882 1.00 0.00 N ATOM 0 H GLN A 88 7.721 -1.067 1.786 1.00 0.00 H new ATOM 0 HA GLN A 88 10.119 -2.154 2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.411 -1.894 0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.377 -3.306 0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.639 -2.158 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.572 -0.675 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.641 -2.263 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.093 -2.722 -3.748 1.00 0.00 H new ATOM 1405 N MET A 89 11.089 0.198 2.751 1.00 0.00 N ATOM 1406 CA MET A 89 11.527 1.580 2.873 1.00 0.00 C ATOM 1407 C MET A 89 11.654 2.237 1.499 1.00 0.00 C ATOM 1408 O MET A 89 12.102 1.611 0.539 1.00 0.00 O ATOM 1409 CB MET A 89 12.854 1.603 3.622 1.00 0.00 C ATOM 1410 CG MET A 89 12.594 1.205 5.074 1.00 0.00 C ATOM 1411 SD MET A 89 11.823 2.520 6.053 1.00 0.00 S ATOM 1412 CE MET A 89 11.171 1.513 7.400 1.00 0.00 C ATOM 0 H MET A 89 11.714 -0.471 3.202 1.00 0.00 H new ATOM 0 HA MET A 89 10.786 2.153 3.431 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.562 0.914 3.161 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.299 2.597 3.575 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.952 0.324 5.092 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.538 0.921 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.961 2.148 8.260 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.252 1.024 7.077 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.906 0.757 7.678 1.00 0.00 H new ATOM 1422 N ALA A 90 11.253 3.508 1.411 1.00 0.00 N ATOM 1423 CA ALA A 90 11.314 4.284 0.185 1.00 0.00 C ATOM 1424 C ALA A 90 12.706 4.884 -0.032 1.00 0.00 C ATOM 1425 O ALA A 90 12.950 5.494 -1.071 1.00 0.00 O ATOM 1426 CB ALA A 90 10.256 5.384 0.240 1.00 0.00 C ATOM 0 H ALA A 90 10.873 4.027 2.203 1.00 0.00 H new ATOM 0 HA ALA A 90 11.115 3.624 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.295 5.972 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.268 4.934 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.449 6.032 1.095 1.00 0.00 H new ATOM 1432 N ARG A 91 13.618 4.714 0.936 1.00 0.00 N ATOM 1433 CA ARG A 91 14.996 5.190 0.828 1.00 0.00 C ATOM 1434 C ARG A 91 15.076 6.697 0.545 1.00 0.00 C ATOM 1435 O ARG A 91 15.995 7.165 -0.129 1.00 0.00 O ATOM 1436 CB ARG A 91 15.717 4.317 -0.209 1.00 0.00 C ATOM 1437 CG ARG A 91 17.218 4.595 -0.299 1.00 0.00 C ATOM 1438 CD ARG A 91 17.545 5.160 -1.686 1.00 0.00 C ATOM 1439 NE ARG A 91 18.964 5.514 -1.800 1.00 0.00 N ATOM 1440 CZ ARG A 91 19.485 6.661 -1.356 1.00 0.00 C ATOM 1441 NH1 ARG A 91 18.723 7.578 -0.763 1.00 0.00 N ATOM 1442 NH2 ARG A 91 20.786 6.899 -1.507 1.00 0.00 N ATOM 0 H ARG A 91 13.416 4.241 1.817 1.00 0.00 H new ATOM 0 HA ARG A 91 15.508 5.084 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.564 3.267 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.265 4.480 -1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.516 5.303 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 91 17.781 3.678 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 91 17.290 4.425 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 91 16.932 6.042 -1.875 1.00 0.00 H new ATOM 0 HE ARG A 91 19.591 4.844 -2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 91 17.724 7.410 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 91 19.138 8.448 -0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.382 6.206 -1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 91 21.187 7.774 -1.169 1.00 0.00 H new ATOM 1456 N TYR A 92 14.117 7.474 1.056 1.00 0.00 N ATOM 1457 CA TYR A 92 14.053 8.911 0.836 1.00 0.00 C ATOM 1458 C TYR A 92 14.135 9.686 2.154 1.00 0.00 C ATOM 1459 O TYR A 92 13.634 10.805 2.257 1.00 0.00 O ATOM 1460 CB TYR A 92 12.786 9.253 0.057 1.00 0.00 C ATOM 1461 CG TYR A 92 12.707 8.611 -1.307 1.00 0.00 C ATOM 1462 CD1 TYR A 92 13.847 8.511 -2.119 1.00 0.00 C ATOM 1463 CD2 TYR A 92 11.478 8.114 -1.763 1.00 0.00 C ATOM 1464 CE1 TYR A 92 13.765 7.905 -3.382 1.00 0.00 C ATOM 1465 CE2 TYR A 92 11.389 7.502 -3.021 1.00 0.00 C ATOM 1466 CZ TYR A 92 12.533 7.395 -3.837 1.00 0.00 C ATOM 1467 OH TYR A 92 12.451 6.806 -5.063 1.00 0.00 O ATOM 0 H TYR A 92 13.360 7.115 1.638 1.00 0.00 H new ATOM 0 HA TYR A 92 14.917 9.214 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.919 8.946 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.725 10.335 -0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.791 8.902 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.598 8.203 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.645 7.830 -4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.443 7.112 -3.365 1.00 0.00 H new ATOM 0 HH TYR A 92 11.531 6.508 -5.222 1.00 0.00 H new ATOM 1477 N GLY A 93 14.769 9.084 3.160 1.00 0.00 N ATOM 1478 CA GLY A 93 14.971 9.711 4.455 1.00 0.00 C ATOM 1479 C GLY A 93 16.242 9.200 5.123 1.00 0.00 C ATOM 1480 O GLY A 93 16.877 8.270 4.628 1.00 0.00 O ATOM 0 H GLY A 93 15.157 8.143 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.031 10.792 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.113 9.510 5.097 1.00 0.00 H new ATOM 1484 N ARG A 94 16.603 9.812 6.253 1.00 0.00 N ATOM 1485 CA ARG A 94 17.831 9.500 6.971 1.00 0.00 C ATOM 1486 C ARG A 94 17.628 9.769 8.464 1.00 0.00 C ATOM 1487 O ARG A 94 17.291 10.896 8.832 1.00 0.00 O ATOM 1488 CB ARG A 94 18.940 10.400 6.408 1.00 0.00 C ATOM 1489 CG ARG A 94 20.313 10.161 7.039 1.00 0.00 C ATOM 1490 CD ARG A 94 20.922 8.826 6.613 1.00 0.00 C ATOM 1491 NE ARG A 94 22.276 8.675 7.151 1.00 0.00 N ATOM 1492 CZ ARG A 94 23.049 7.599 6.955 1.00 0.00 C ATOM 1493 NH1 ARG A 94 22.608 6.558 6.254 1.00 0.00 N ATOM 1494 NH2 ARG A 94 24.278 7.560 7.465 1.00 0.00 N ATOM 0 H ARG A 94 16.045 10.542 6.695 1.00 0.00 H new ATOM 0 HA ARG A 94 18.103 8.452 6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.013 10.240 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 94 18.659 11.443 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.986 10.971 6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 94 20.221 10.186 8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 94 20.294 8.007 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 94 20.949 8.765 5.525 1.00 0.00 H new ATOM 0 HE ARG A 94 22.655 9.439 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 94 21.669 6.572 5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 94 23.209 5.746 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.631 8.350 8.005 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.866 6.740 7.316 1.00 0.00 H new ATOM 1508 N PRO A 95 17.818 8.767 9.332 1.00 0.00 N ATOM 1509 CA PRO A 95 17.695 8.926 10.775 1.00 0.00 C ATOM 1510 C PRO A 95 18.888 9.717 11.322 1.00 0.00 C ATOM 1511 O PRO A 95 19.856 9.935 10.592 1.00 0.00 O ATOM 1512 CB PRO A 95 17.669 7.500 11.329 1.00 0.00 C ATOM 1513 CG PRO A 95 18.513 6.727 10.318 1.00 0.00 C ATOM 1514 CD PRO A 95 18.163 7.398 8.994 1.00 0.00 C ATOM 0 HA PRO A 95 16.801 9.480 11.062 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.092 7.448 12.332 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.653 7.109 11.391 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.578 6.802 10.540 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.263 5.666 10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.005 7.365 8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.330 6.892 8.506 1.00 0.00 H new ATOM 1522 N PRO A 96 18.842 10.151 12.589 1.00 0.00 N ATOM 1523 CA PRO A 96 19.931 10.868 13.234 1.00 0.00 C ATOM 1524 C PRO A 96 21.281 10.193 12.986 1.00 0.00 C ATOM 1525 O PRO A 96 21.418 8.983 13.166 1.00 0.00 O ATOM 1526 CB PRO A 96 19.567 10.897 14.718 1.00 0.00 C ATOM 1527 CG PRO A 96 18.039 10.882 14.694 1.00 0.00 C ATOM 1528 CD PRO A 96 17.727 9.984 13.501 1.00 0.00 C ATOM 0 HA PRO A 96 20.046 11.875 12.832 1.00 0.00 H new ATOM 0 HB2 PRO A 96 19.971 10.036 15.250 1.00 0.00 H new ATOM 0 HB3 PRO A 96 19.955 11.788 15.212 1.00 0.00 H new ATOM 0 HG2 PRO A 96 17.624 10.483 15.620 1.00 0.00 H new ATOM 0 HG3 PRO A 96 17.627 11.883 14.565 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.624 8.944 13.809 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.787 10.271 13.029 1.00 0.00 H new ATOM 1536 N ASP A 97 22.278 10.981 12.578 1.00 0.00 N ATOM 1537 CA ASP A 97 23.600 10.469 12.241 1.00 0.00 C ATOM 1538 C ASP A 97 24.675 11.534 12.471 1.00 0.00 C ATOM 1539 O ASP A 97 25.813 11.378 12.030 1.00 0.00 O ATOM 1540 CB ASP A 97 23.572 10.003 10.780 1.00 0.00 C ATOM 1541 CG ASP A 97 24.831 9.241 10.382 1.00 0.00 C ATOM 1542 OD1 ASP A 97 25.310 8.425 11.202 1.00 0.00 O ATOM 1543 OD2 ASP A 97 25.310 9.481 9.249 1.00 0.00 O ATOM 0 H ASP A 97 22.188 11.992 12.473 1.00 0.00 H new ATOM 0 HA ASP A 97 23.852 9.628 12.887 1.00 0.00 H new ATOM 0 HB2 ASP A 97 22.702 9.366 10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 97 23.455 10.869 10.129 1.00 0.00 H new ATOM 1548 N SER A 98 24.323 12.622 13.163 1.00 0.00 N ATOM 1549 CA SER A 98 25.240 13.717 13.449 1.00 0.00 C ATOM 1550 C SER A 98 24.955 14.333 14.818 1.00 0.00 C ATOM 1551 O SER A 98 25.568 15.335 15.185 1.00 0.00 O ATOM 1552 CB SER A 98 25.122 14.772 12.349 1.00 0.00 C ATOM 1553 OG SER A 98 23.798 15.270 12.302 1.00 0.00 O ATOM 0 H SER A 98 23.386 12.764 13.541 1.00 0.00 H new ATOM 0 HA SER A 98 26.258 13.328 13.472 1.00 0.00 H new ATOM 0 HB2 SER A 98 25.820 15.587 12.538 1.00 0.00 H new ATOM 0 HB3 SER A 98 25.391 14.338 11.386 1.00 0.00 H new ATOM 0 HG SER A 98 23.728 15.947 11.597 1.00 0.00 H new ATOM 1559 N HIS A 99 24.027 13.742 15.576 1.00 0.00 N ATOM 1560 CA HIS A 99 23.669 14.190 16.914 1.00 0.00 C ATOM 1561 C HIS A 99 24.811 13.941 17.899 1.00 0.00 C ATOM 1562 O HIS A 99 25.816 13.313 17.564 1.00 0.00 O ATOM 1563 CB HIS A 99 22.404 13.453 17.359 1.00 0.00 C ATOM 1564 CG HIS A 99 22.570 11.956 17.359 1.00 0.00 C ATOM 1565 ND1 HIS A 99 22.582 11.146 16.220 1.00 0.00 N ATOM 1566 CD2 HIS A 99 22.736 11.178 18.470 1.00 0.00 C ATOM 1567 CE1 HIS A 99 22.754 9.895 16.676 1.00 0.00 C ATOM 1568 NE2 HIS A 99 22.848 9.886 18.019 1.00 0.00 N ATOM 0 H HIS A 99 23.498 12.926 15.267 1.00 0.00 H new ATOM 0 HA HIS A 99 23.481 15.264 16.896 1.00 0.00 H new ATOM 0 HB2 HIS A 99 22.130 13.784 18.361 1.00 0.00 H new ATOM 0 HB3 HIS A 99 21.580 13.723 16.698 1.00 0.00 H new ATOM 0 HD2 HIS A 99 22.772 11.512 19.496 1.00 0.00 H new ATOM 0 HE1 HIS A 99 22.809 9.016 16.051 1.00 0.00 H new ATOM 0 HE2 HIS A 99 22.980 9.060 18.602 1.00 0.00 H new ATOM 1576 N HIS A 100 24.648 14.439 19.129 1.00 0.00 N ATOM 1577 CA HIS A 100 25.646 14.300 20.179 1.00 0.00 C ATOM 1578 C HIS A 100 24.981 14.325 21.552 1.00 0.00 C ATOM 1579 O HIS A 100 23.778 14.555 21.664 1.00 0.00 O ATOM 1580 CB HIS A 100 26.668 15.434 20.055 1.00 0.00 C ATOM 1581 CG HIS A 100 26.064 16.804 20.219 1.00 0.00 C ATOM 1582 ND1 HIS A 100 25.507 17.568 19.191 1.00 0.00 N ATOM 1583 CD2 HIS A 100 25.973 17.496 21.393 1.00 0.00 C ATOM 1584 CE1 HIS A 100 25.087 18.702 19.775 1.00 0.00 C ATOM 1585 NE2 HIS A 100 25.355 18.687 21.092 1.00 0.00 N ATOM 0 H HIS A 100 23.815 14.951 19.419 1.00 0.00 H new ATOM 0 HA HIS A 100 26.156 13.343 20.070 1.00 0.00 H new ATOM 0 HB2 HIS A 100 27.446 15.296 20.806 1.00 0.00 H new ATOM 0 HB3 HIS A 100 27.151 15.372 19.080 1.00 0.00 H new ATOM 0 HD2 HIS A 100 26.318 17.172 22.364 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.600 19.515 19.257 1.00 0.00 H new ATOM 0 HE2 HIS A 100 25.137 19.431 21.755 1.00 0.00 H new ATOM 1593 N SER A 101 25.773 14.088 22.604 1.00 0.00 N ATOM 1594 CA SER A 101 25.295 14.068 23.978 1.00 0.00 C ATOM 1595 C SER A 101 26.417 14.445 24.941 1.00 0.00 C ATOM 1596 O SER A 101 26.110 15.153 25.924 1.00 0.00 O ATOM 1597 CB SER A 101 24.736 12.685 24.315 1.00 0.00 C ATOM 1598 OG SER A 101 25.711 11.691 24.079 1.00 0.00 O ATOM 1599 OXT SER A 101 27.569 14.023 24.687 1.00 0.00 O ATOM 0 H SER A 101 26.772 13.904 22.517 1.00 0.00 H new ATOM 0 HA SER A 101 24.497 14.803 24.084 1.00 0.00 H new ATOM 0 HB2 SER A 101 24.423 12.656 25.359 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.851 12.486 23.711 1.00 0.00 H new ATOM 0 HG SER A 101 25.341 10.811 24.300 1.00 0.00 H new TER 1605 SER A 101