USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 518 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 SER N :NH3+ -148:sc= 0.103 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.561 USER MOD Single : A 2 SER OG : rot 180:sc= -1.56! USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.0445 (180deg=-0.52) USER MOD Single : A 9 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0308) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0229 K(o=-0.023,f=-5.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 170:sc= -0.105 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 116:sc= 1.25 USER MOD Single : A 36 GLN : amide:sc= -12.2! C(o=-12!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.117 (180deg=-0.704) USER MOD Single : A 51 ASN : amide:sc= -2.38 K(o=-2.4,f=-4.2!) USER MOD Single : A 55 ASN :FLIP amide:sc= -6.72! C(o=-8!,f=-6.7!) USER MOD Single : A 60 THR OG1 : rot -65:sc= 0.926 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -85:sc= -0.693 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= -0.0329 (180deg=-0.0329) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.335 -11.532 -0.353 1.00 0.00 N ATOM 2 CA SER A 1 -8.807 -11.800 1.015 1.00 0.00 C ATOM 3 C SER A 1 -9.123 -10.612 1.925 1.00 0.00 C ATOM 4 O SER A 1 -10.055 -10.644 2.703 1.00 0.00 O ATOM 5 CB SER A 1 -7.293 -12.000 0.945 1.00 0.00 C ATOM 6 OG SER A 1 -6.713 -10.937 0.198 1.00 0.00 O ATOM 0 H1 SER A 1 -9.624 -12.428 -0.795 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.156 -10.897 -0.290 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.594 -11.084 -0.929 1.00 0.00 H new ATOM 0 HA SER A 1 -9.275 -12.699 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.871 -12.026 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.062 -12.957 0.477 1.00 0.00 H new ATOM 0 HG SER A 1 -5.742 -11.061 0.152 1.00 0.00 H new ATOM 11 N SER A 2 -8.354 -9.561 1.833 1.00 0.00 N ATOM 12 CA SER A 2 -8.610 -8.372 2.693 1.00 0.00 C ATOM 13 C SER A 2 -7.757 -7.203 2.210 1.00 0.00 C ATOM 14 O SER A 2 -7.450 -6.303 2.963 1.00 0.00 O ATOM 15 CB SER A 2 -8.231 -8.692 4.140 1.00 0.00 C ATOM 16 OG SER A 2 -8.146 -10.103 4.302 1.00 0.00 O ATOM 0 H SER A 2 -7.560 -9.475 1.199 1.00 0.00 H new ATOM 0 HA SER A 2 -9.667 -8.112 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.277 -8.228 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.974 -8.280 4.823 1.00 0.00 H new ATOM 0 HG SER A 2 -7.902 -10.312 5.228 1.00 0.00 H new ATOM 22 N ALA A 3 -7.359 -7.210 0.976 1.00 0.00 N ATOM 23 CA ALA A 3 -6.512 -6.096 0.477 1.00 0.00 C ATOM 24 C ALA A 3 -7.375 -4.887 0.154 1.00 0.00 C ATOM 25 O ALA A 3 -6.961 -3.755 0.313 1.00 0.00 O ATOM 26 CB ALA A 3 -5.786 -6.535 -0.784 1.00 0.00 C ATOM 0 H ALA A 3 -7.580 -7.934 0.292 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.790 -5.830 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.165 -5.717 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.157 -7.397 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.515 -6.806 -1.548 1.00 0.00 H new ATOM 32 N LYS A 4 -8.574 -5.111 -0.287 1.00 0.00 N ATOM 33 CA LYS A 4 -9.461 -3.966 -0.602 1.00 0.00 C ATOM 34 C LYS A 4 -10.038 -3.459 0.717 1.00 0.00 C ATOM 35 O LYS A 4 -10.239 -2.277 0.913 1.00 0.00 O ATOM 36 CB LYS A 4 -10.569 -4.443 -1.549 1.00 0.00 C ATOM 37 CG LYS A 4 -11.530 -3.290 -1.873 1.00 0.00 C ATOM 38 CD LYS A 4 -10.991 -2.491 -3.065 1.00 0.00 C ATOM 39 CE LYS A 4 -11.743 -1.165 -3.177 1.00 0.00 C ATOM 40 NZ LYS A 4 -13.210 -1.417 -3.097 1.00 0.00 N ATOM 0 H LYS A 4 -8.978 -6.034 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.921 -3.158 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.129 -4.827 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.119 -5.265 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.520 -3.683 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.639 -2.639 -1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.924 -2.306 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.108 -3.066 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.435 -0.491 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.498 -0.674 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.725 -0.594 -3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.449 -2.258 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.482 -1.575 -2.106 1.00 0.00 H new ATOM 54 N ARG A 5 -10.280 -4.356 1.634 1.00 0.00 N ATOM 55 CA ARG A 5 -10.815 -3.952 2.961 1.00 0.00 C ATOM 56 C ARG A 5 -9.762 -3.119 3.687 1.00 0.00 C ATOM 57 O ARG A 5 -10.027 -2.036 4.172 1.00 0.00 O ATOM 58 CB ARG A 5 -11.087 -5.207 3.788 1.00 0.00 C ATOM 59 CG ARG A 5 -11.900 -4.838 5.035 1.00 0.00 C ATOM 60 CD ARG A 5 -13.370 -4.598 4.658 1.00 0.00 C ATOM 61 NE ARG A 5 -14.224 -5.624 5.319 1.00 0.00 N ATOM 62 CZ ARG A 5 -15.515 -5.452 5.391 1.00 0.00 C ATOM 63 NH1 ARG A 5 -16.060 -4.378 4.885 1.00 0.00 N ATOM 64 NH2 ARG A 5 -16.262 -6.350 5.971 1.00 0.00 N ATOM 0 H ARG A 5 -10.128 -5.358 1.518 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.731 -3.376 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.632 -5.937 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.146 -5.673 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.832 -5.638 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.485 -3.942 5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.678 -3.599 4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.492 -4.649 3.576 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.799 -6.462 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.476 -3.674 4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.070 -4.243 4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.837 -7.187 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.271 -6.215 6.027 1.00 0.00 H new ATOM 78 N VAL A 6 -8.563 -3.629 3.764 1.00 0.00 N ATOM 79 CA VAL A 6 -7.480 -2.889 4.454 1.00 0.00 C ATOM 80 C VAL A 6 -7.284 -1.548 3.743 1.00 0.00 C ATOM 81 O VAL A 6 -7.117 -0.516 4.363 1.00 0.00 O ATOM 82 CB VAL A 6 -6.193 -3.749 4.413 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.252 -3.290 3.295 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.471 -3.673 5.767 1.00 0.00 C ATOM 0 H VAL A 6 -8.290 -4.532 3.375 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.729 -2.694 5.497 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.482 -4.780 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.358 -3.914 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.758 -3.379 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.969 -2.251 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.566 -4.280 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.205 -2.638 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.129 -4.047 6.552 1.00 0.00 H new ATOM 94 N PHE A 7 -7.321 -1.563 2.442 1.00 0.00 N ATOM 95 CA PHE A 7 -7.155 -0.292 1.684 1.00 0.00 C ATOM 96 C PHE A 7 -8.304 0.651 2.060 1.00 0.00 C ATOM 97 O PHE A 7 -8.087 1.803 2.380 1.00 0.00 O ATOM 98 CB PHE A 7 -7.149 -0.570 0.173 1.00 0.00 C ATOM 99 CG PHE A 7 -7.361 0.708 -0.626 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.182 1.978 -0.047 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.752 0.620 -1.966 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.399 3.129 -0.803 1.00 0.00 C ATOM 103 CE2 PHE A 7 -7.972 1.781 -2.707 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.796 3.033 -2.124 1.00 0.00 C ATOM 0 H PHE A 7 -7.458 -2.397 1.871 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.203 0.174 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.201 -1.026 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.933 -1.287 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.876 2.061 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.884 -0.348 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.256 4.101 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.281 1.708 -3.739 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.969 3.928 -2.703 1.00 0.00 H new ATOM 114 N GLU A 8 -9.522 0.187 2.059 1.00 0.00 N ATOM 115 CA GLU A 8 -10.634 1.100 2.440 1.00 0.00 C ATOM 116 C GLU A 8 -10.254 1.775 3.766 1.00 0.00 C ATOM 117 O GLU A 8 -10.509 2.940 3.979 1.00 0.00 O ATOM 118 CB GLU A 8 -11.946 0.291 2.552 1.00 0.00 C ATOM 119 CG GLU A 8 -12.492 0.290 3.986 1.00 0.00 C ATOM 120 CD GLU A 8 -12.944 1.702 4.371 1.00 0.00 C ATOM 121 OE1 GLU A 8 -13.695 2.290 3.611 1.00 0.00 O ATOM 122 OE2 GLU A 8 -12.528 2.170 5.419 1.00 0.00 O ATOM 0 H GLU A 8 -9.793 -0.766 1.816 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.795 1.872 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.692 0.713 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.769 -0.735 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.329 -0.404 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.724 -0.057 4.677 1.00 0.00 H new ATOM 129 N LYS A 9 -9.640 1.043 4.653 1.00 0.00 N ATOM 130 CA LYS A 9 -9.232 1.637 5.959 1.00 0.00 C ATOM 131 C LYS A 9 -8.138 2.686 5.732 1.00 0.00 C ATOM 132 O LYS A 9 -8.093 3.699 6.400 1.00 0.00 O ATOM 133 CB LYS A 9 -8.708 0.528 6.885 1.00 0.00 C ATOM 134 CG LYS A 9 -9.594 0.428 8.131 1.00 0.00 C ATOM 135 CD LYS A 9 -11.006 -0.011 7.724 1.00 0.00 C ATOM 136 CE LYS A 9 -11.092 -1.539 7.713 1.00 0.00 C ATOM 137 NZ LYS A 9 -11.256 -2.037 9.109 1.00 0.00 N ATOM 0 H LYS A 9 -9.402 0.059 4.531 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.093 2.117 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.699 -0.425 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.679 0.741 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.169 -0.287 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.634 1.391 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.738 0.398 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.249 0.383 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.933 -1.862 7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.191 -1.962 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.825 -2.979 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.790 -1.382 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.268 -2.098 9.339 1.00 0.00 H new ATOM 151 N PHE A 10 -7.256 2.456 4.798 1.00 0.00 N ATOM 152 CA PHE A 10 -6.174 3.445 4.541 1.00 0.00 C ATOM 153 C PHE A 10 -6.630 4.466 3.518 1.00 0.00 C ATOM 154 O PHE A 10 -6.032 5.512 3.395 1.00 0.00 O ATOM 155 CB PHE A 10 -4.936 2.718 4.043 1.00 0.00 C ATOM 156 CG PHE A 10 -4.660 1.543 4.959 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.662 1.728 6.350 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.393 0.275 4.425 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.399 0.650 7.204 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.129 -0.801 5.284 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.134 -0.613 6.671 1.00 0.00 C ATOM 0 H PHE A 10 -7.239 1.627 4.203 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.936 3.969 5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.087 2.372 3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.081 3.394 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.867 2.705 6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.391 0.127 3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.401 0.795 8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.921 -1.778 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.933 -1.445 7.329 1.00 0.00 H new ATOM 171 N ASP A 11 -7.679 4.203 2.783 1.00 0.00 N ATOM 172 CA ASP A 11 -8.126 5.222 1.798 1.00 0.00 C ATOM 173 C ASP A 11 -8.267 6.548 2.533 1.00 0.00 C ATOM 174 O ASP A 11 -9.339 6.998 2.881 1.00 0.00 O ATOM 175 CB ASP A 11 -9.457 4.809 1.163 1.00 0.00 C ATOM 176 CG ASP A 11 -10.570 4.847 2.211 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.260 5.060 3.371 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.717 4.661 1.836 1.00 0.00 O ATOM 0 H ASP A 11 -8.232 3.347 2.822 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.398 5.315 0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.700 5.479 0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.374 3.806 0.745 1.00 0.00 H new ATOM 183 N LYS A 12 -7.158 7.164 2.754 1.00 0.00 N ATOM 184 CA LYS A 12 -7.120 8.463 3.453 1.00 0.00 C ATOM 185 C LYS A 12 -7.447 9.561 2.446 1.00 0.00 C ATOM 186 O LYS A 12 -7.702 10.697 2.792 1.00 0.00 O ATOM 187 CB LYS A 12 -5.714 8.612 4.021 1.00 0.00 C ATOM 188 CG LYS A 12 -5.053 9.907 3.553 1.00 0.00 C ATOM 189 CD LYS A 12 -3.665 9.991 4.190 1.00 0.00 C ATOM 190 CE LYS A 12 -2.668 10.596 3.197 1.00 0.00 C ATOM 191 NZ LYS A 12 -1.498 11.142 3.943 1.00 0.00 N ATOM 0 H LYS A 12 -6.244 6.811 2.470 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.846 8.530 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.758 8.598 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.105 7.761 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.974 9.922 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.656 10.768 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.707 10.600 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.333 8.997 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.339 9.837 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.147 11.387 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.819 11.554 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.820 11.878 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.037 10.376 4.475 1.00 0.00 H new ATOM 205 N ASN A 13 -7.480 9.194 1.199 1.00 0.00 N ATOM 206 CA ASN A 13 -7.836 10.161 0.119 1.00 0.00 C ATOM 207 C ASN A 13 -9.114 9.670 -0.575 1.00 0.00 C ATOM 208 O ASN A 13 -9.460 10.120 -1.647 1.00 0.00 O ATOM 209 CB ASN A 13 -6.694 10.235 -0.899 1.00 0.00 C ATOM 210 CG ASN A 13 -6.149 8.829 -1.154 1.00 0.00 C ATOM 211 OD1 ASN A 13 -6.892 7.869 -1.164 1.00 0.00 O ATOM 212 ND2 ASN A 13 -4.869 8.666 -1.362 1.00 0.00 N ATOM 0 H ASN A 13 -7.272 8.250 0.873 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.999 11.152 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.051 10.673 -1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.901 10.882 -0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.495 7.733 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.244 9.472 -1.354 1.00 0.00 H new ATOM 219 N LYS A 14 -9.809 8.738 0.046 1.00 0.00 N ATOM 220 CA LYS A 14 -11.066 8.188 -0.558 1.00 0.00 C ATOM 221 C LYS A 14 -10.969 8.349 -2.072 1.00 0.00 C ATOM 222 O LYS A 14 -11.844 8.877 -2.729 1.00 0.00 O ATOM 223 CB LYS A 14 -12.274 8.960 -0.028 1.00 0.00 C ATOM 224 CG LYS A 14 -12.117 9.189 1.476 1.00 0.00 C ATOM 225 CD LYS A 14 -13.433 9.713 2.054 1.00 0.00 C ATOM 226 CE LYS A 14 -13.349 9.729 3.581 1.00 0.00 C ATOM 227 NZ LYS A 14 -14.587 10.346 4.138 1.00 0.00 N ATOM 0 H LYS A 14 -9.556 8.335 0.948 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.186 7.137 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.362 9.916 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.190 8.404 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.837 8.258 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.315 9.903 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.633 10.717 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.261 9.082 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.233 8.714 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.473 10.292 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.532 10.358 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.679 11.320 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.415 9.791 3.842 1.00 0.00 H new ATOM 241 N ASP A 15 -9.857 7.933 -2.596 1.00 0.00 N ATOM 242 CA ASP A 15 -9.598 8.086 -4.043 1.00 0.00 C ATOM 243 C ASP A 15 -9.647 6.742 -4.739 1.00 0.00 C ATOM 244 O ASP A 15 -9.937 6.677 -5.917 1.00 0.00 O ATOM 245 CB ASP A 15 -8.213 8.711 -4.248 1.00 0.00 C ATOM 246 CG ASP A 15 -8.300 10.233 -4.086 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.400 10.730 -3.904 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.265 10.874 -4.149 1.00 0.00 O ATOM 0 H ASP A 15 -9.105 7.486 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.367 8.731 -4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.508 8.299 -3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.835 8.463 -5.240 1.00 0.00 H new ATOM 253 N GLY A 16 -9.317 5.661 -4.081 1.00 0.00 N ATOM 254 CA GLY A 16 -9.303 4.368 -4.800 1.00 0.00 C ATOM 255 C GLY A 16 -7.856 4.121 -5.138 1.00 0.00 C ATOM 256 O GLY A 16 -7.511 3.249 -5.908 1.00 0.00 O ATOM 0 H GLY A 16 -9.062 5.623 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.705 3.567 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.916 4.411 -5.700 1.00 0.00 H new ATOM 260 N LYS A 17 -7.008 4.888 -4.502 1.00 0.00 N ATOM 261 CA LYS A 17 -5.557 4.741 -4.688 1.00 0.00 C ATOM 262 C LYS A 17 -4.830 5.211 -3.447 1.00 0.00 C ATOM 263 O LYS A 17 -5.240 6.123 -2.756 1.00 0.00 O ATOM 264 CB LYS A 17 -5.043 5.555 -5.854 1.00 0.00 C ATOM 265 CG LYS A 17 -5.804 5.227 -7.146 1.00 0.00 C ATOM 266 CD LYS A 17 -6.981 6.194 -7.313 1.00 0.00 C ATOM 267 CE LYS A 17 -6.470 7.529 -7.864 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.436 7.470 -9.353 1.00 0.00 N ATOM 0 H LYS A 17 -7.280 5.623 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.372 3.685 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.144 6.617 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.980 5.359 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.134 5.303 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.167 4.200 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.722 5.769 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.477 6.350 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.118 8.342 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.474 7.738 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.089 8.376 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.801 6.704 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.394 7.289 -9.715 1.00 0.00 H new ATOM 282 N LEU A 18 -3.732 4.587 -3.195 1.00 0.00 N ATOM 283 CA LEU A 18 -2.893 4.943 -2.038 1.00 0.00 C ATOM 284 C LEU A 18 -1.557 5.437 -2.496 1.00 0.00 C ATOM 285 O LEU A 18 -1.085 5.104 -3.548 1.00 0.00 O ATOM 286 CB LEU A 18 -2.640 3.748 -1.198 1.00 0.00 C ATOM 287 CG LEU A 18 -3.458 3.832 0.057 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.931 3.744 -0.241 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.033 2.687 0.938 1.00 0.00 C ATOM 0 H LEU A 18 -3.369 3.820 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.422 5.712 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.894 2.843 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.581 3.683 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.293 4.790 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.495 3.808 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.219 4.565 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.147 2.795 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.605 2.710 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.215 1.744 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.971 2.777 1.165 1.00 0.00 H new ATOM 301 N SER A 19 -0.932 6.176 -1.663 1.00 0.00 N ATOM 302 CA SER A 19 0.413 6.677 -1.967 1.00 0.00 C ATOM 303 C SER A 19 1.372 5.863 -1.139 1.00 0.00 C ATOM 304 O SER A 19 1.020 5.370 -0.085 1.00 0.00 O ATOM 305 CB SER A 19 0.513 8.128 -1.543 1.00 0.00 C ATOM 306 OG SER A 19 -0.700 8.799 -1.854 1.00 0.00 O ATOM 0 H SER A 19 -1.302 6.465 -0.758 1.00 0.00 H new ATOM 0 HA SER A 19 0.633 6.599 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.712 8.192 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.348 8.610 -2.052 1.00 0.00 H new ATOM 0 HG SER A 19 -0.635 9.737 -1.578 1.00 0.00 H new ATOM 312 N LEU A 20 2.577 5.719 -1.569 1.00 0.00 N ATOM 313 CA LEU A 20 3.521 4.945 -0.755 1.00 0.00 C ATOM 314 C LEU A 20 3.443 5.518 0.634 1.00 0.00 C ATOM 315 O LEU A 20 3.729 4.882 1.624 1.00 0.00 O ATOM 316 CB LEU A 20 4.915 5.147 -1.322 1.00 0.00 C ATOM 317 CG LEU A 20 5.915 4.234 -0.625 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.407 4.869 0.666 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.280 2.885 -0.304 1.00 0.00 C ATOM 0 H LEU A 20 2.946 6.100 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 20 3.293 3.879 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.911 4.941 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.216 6.187 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 20 6.757 4.085 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.121 4.203 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.892 5.819 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.562 5.041 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.011 2.248 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.422 3.034 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.952 2.408 -1.228 1.00 0.00 H new ATOM 331 N ASP A 21 2.996 6.717 0.678 1.00 0.00 N ATOM 332 CA ASP A 21 2.814 7.413 1.968 1.00 0.00 C ATOM 333 C ASP A 21 1.695 6.726 2.760 1.00 0.00 C ATOM 334 O ASP A 21 1.852 6.464 3.937 1.00 0.00 O ATOM 335 CB ASP A 21 2.452 8.882 1.719 1.00 0.00 C ATOM 336 CG ASP A 21 2.829 9.718 2.945 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.927 9.149 4.019 1.00 0.00 O ATOM 338 OD2 ASP A 21 3.015 10.913 2.786 1.00 0.00 O ATOM 0 H ASP A 21 2.740 7.266 -0.143 1.00 0.00 H new ATOM 0 HA ASP A 21 3.741 7.370 2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.977 9.252 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.385 8.975 1.517 1.00 0.00 H new ATOM 343 N GLU A 22 0.558 6.417 2.158 1.00 0.00 N ATOM 344 CA GLU A 22 -0.509 5.749 2.945 1.00 0.00 C ATOM 345 C GLU A 22 -0.065 4.319 3.232 1.00 0.00 C ATOM 346 O GLU A 22 -0.229 3.802 4.318 1.00 0.00 O ATOM 347 CB GLU A 22 -1.806 5.711 2.142 1.00 0.00 C ATOM 348 CG GLU A 22 -2.928 6.418 2.900 1.00 0.00 C ATOM 349 CD GLU A 22 -3.087 5.798 4.291 1.00 0.00 C ATOM 350 OE1 GLU A 22 -2.366 4.860 4.587 1.00 0.00 O ATOM 351 OE2 GLU A 22 -3.928 6.275 5.037 1.00 0.00 O ATOM 0 H GLU A 22 0.339 6.599 1.179 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.680 6.297 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.655 6.190 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.088 4.677 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.705 7.481 2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.863 6.334 2.346 1.00 0.00 H new ATOM 358 N PHE A 23 0.524 3.699 2.253 1.00 0.00 N ATOM 359 CA PHE A 23 1.023 2.326 2.410 1.00 0.00 C ATOM 360 C PHE A 23 2.230 2.352 3.364 1.00 0.00 C ATOM 361 O PHE A 23 2.539 1.369 4.004 1.00 0.00 O ATOM 362 CB PHE A 23 1.433 1.790 1.055 1.00 0.00 C ATOM 363 CG PHE A 23 1.833 0.341 1.169 1.00 0.00 C ATOM 364 CD1 PHE A 23 0.869 -0.633 1.446 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.167 -0.025 0.996 1.00 0.00 C ATOM 366 CE1 PHE A 23 1.243 -1.978 1.550 1.00 0.00 C ATOM 367 CE2 PHE A 23 3.545 -1.368 1.099 1.00 0.00 C ATOM 368 CZ PHE A 23 2.583 -2.346 1.377 1.00 0.00 C ATOM 0 H PHE A 23 0.680 4.104 1.330 1.00 0.00 H new ATOM 0 HA PHE A 23 0.249 1.680 2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.608 1.893 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.264 2.375 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.164 -0.348 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.910 0.729 0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.499 -2.731 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.579 -1.650 0.964 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.874 -3.383 1.458 1.00 0.00 H new ATOM 378 N ARG A 24 2.899 3.485 3.493 1.00 0.00 N ATOM 379 CA ARG A 24 4.050 3.577 4.447 1.00 0.00 C ATOM 380 C ARG A 24 3.483 3.763 5.851 1.00 0.00 C ATOM 381 O ARG A 24 4.033 3.310 6.825 1.00 0.00 O ATOM 382 CB ARG A 24 4.951 4.768 4.103 1.00 0.00 C ATOM 383 CG ARG A 24 6.371 4.491 4.598 1.00 0.00 C ATOM 384 CD ARG A 24 7.114 5.811 4.793 1.00 0.00 C ATOM 385 NE ARG A 24 6.421 6.624 5.830 1.00 0.00 N ATOM 386 CZ ARG A 24 7.029 7.643 6.373 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.242 7.951 6.004 1.00 0.00 N ATOM 388 NH2 ARG A 24 6.424 8.354 7.285 1.00 0.00 N ATOM 0 H ARG A 24 2.694 4.342 2.979 1.00 0.00 H new ATOM 0 HA ARG A 24 4.649 2.669 4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.956 4.935 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.564 5.676 4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.338 3.939 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.902 3.866 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.144 5.619 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.154 6.360 3.852 1.00 0.00 H new ATOM 0 HE ARG A 24 5.472 6.385 6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.715 7.395 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.717 8.747 6.428 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.476 8.113 7.573 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.899 9.150 7.709 1.00 0.00 H new ATOM 402 N GLU A 25 2.339 4.377 5.935 1.00 0.00 N ATOM 403 CA GLU A 25 1.681 4.531 7.255 1.00 0.00 C ATOM 404 C GLU A 25 1.126 3.151 7.556 1.00 0.00 C ATOM 405 O GLU A 25 1.166 2.645 8.658 1.00 0.00 O ATOM 406 CB GLU A 25 0.545 5.555 7.162 1.00 0.00 C ATOM 407 CG GLU A 25 0.027 5.873 8.565 1.00 0.00 C ATOM 408 CD GLU A 25 0.896 6.960 9.204 1.00 0.00 C ATOM 409 OE1 GLU A 25 2.104 6.792 9.221 1.00 0.00 O ATOM 410 OE2 GLU A 25 0.339 7.942 9.664 1.00 0.00 O ATOM 0 H GLU A 25 1.832 4.778 5.146 1.00 0.00 H new ATOM 0 HA GLU A 25 2.363 4.885 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.901 6.465 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.263 5.162 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.009 6.207 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.042 4.974 9.181 1.00 0.00 H new ATOM 417 N VAL A 26 0.650 2.547 6.514 1.00 0.00 N ATOM 418 CA VAL A 26 0.096 1.172 6.541 1.00 0.00 C ATOM 419 C VAL A 26 1.194 0.193 6.917 1.00 0.00 C ATOM 420 O VAL A 26 1.009 -0.730 7.684 1.00 0.00 O ATOM 421 CB VAL A 26 -0.301 0.896 5.091 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.069 -0.556 4.682 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.738 1.252 4.841 1.00 0.00 C ATOM 0 H VAL A 26 0.621 2.977 5.590 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.727 1.072 7.248 1.00 0.00 H new ATOM 0 HB VAL A 26 0.345 1.528 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.369 -0.694 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.988 -0.800 4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.660 -1.213 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.989 1.044 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.379 0.659 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.891 2.311 5.046 1.00 0.00 H new ATOM 433 N ALA A 27 2.329 0.382 6.320 1.00 0.00 N ATOM 434 CA ALA A 27 3.466 -0.531 6.550 1.00 0.00 C ATOM 435 C ALA A 27 4.132 -0.211 7.889 1.00 0.00 C ATOM 436 O ALA A 27 4.407 -1.079 8.689 1.00 0.00 O ATOM 437 CB ALA A 27 4.473 -0.355 5.408 1.00 0.00 C ATOM 0 H ALA A 27 2.518 1.146 5.671 1.00 0.00 H new ATOM 0 HA ALA A 27 3.113 -1.562 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.320 -1.023 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.992 -0.593 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.824 0.677 5.388 1.00 0.00 H new ATOM 443 N LEU A 28 4.384 1.038 8.127 1.00 0.00 N ATOM 444 CA LEU A 28 5.031 1.444 9.405 1.00 0.00 C ATOM 445 C LEU A 28 4.088 1.140 10.569 1.00 0.00 C ATOM 446 O LEU A 28 4.520 0.863 11.671 1.00 0.00 O ATOM 447 CB LEU A 28 5.326 2.948 9.384 1.00 0.00 C ATOM 448 CG LEU A 28 6.645 3.246 8.641 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.869 2.260 7.485 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.592 4.667 8.077 1.00 0.00 C ATOM 0 H LEU A 28 4.170 1.804 7.489 1.00 0.00 H new ATOM 0 HA LEU A 28 5.963 0.891 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.505 3.476 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.388 3.324 10.405 1.00 0.00 H new ATOM 0 HG LEU A 28 7.468 3.142 9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.806 2.497 6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.914 1.244 7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.046 2.339 6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.521 4.884 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.754 4.753 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.463 5.378 8.893 1.00 0.00 H new ATOM 462 N ALA A 29 2.806 1.208 10.345 1.00 0.00 N ATOM 463 CA ALA A 29 1.830 0.945 11.442 1.00 0.00 C ATOM 464 C ALA A 29 1.671 -0.558 11.722 1.00 0.00 C ATOM 465 O ALA A 29 1.894 -1.018 12.825 1.00 0.00 O ATOM 466 CB ALA A 29 0.477 1.516 11.023 1.00 0.00 C ATOM 0 H ALA A 29 2.388 1.436 9.443 1.00 0.00 H new ATOM 0 HA ALA A 29 2.199 1.416 12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.254 1.335 11.811 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.571 2.589 10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.147 1.032 10.104 1.00 0.00 H new ATOM 472 N PHE A 30 1.241 -1.316 10.746 1.00 0.00 N ATOM 473 CA PHE A 30 1.011 -2.778 10.973 1.00 0.00 C ATOM 474 C PHE A 30 2.295 -3.583 10.755 1.00 0.00 C ATOM 475 O PHE A 30 2.656 -4.413 11.566 1.00 0.00 O ATOM 476 CB PHE A 30 -0.060 -3.273 9.997 1.00 0.00 C ATOM 477 CG PHE A 30 -0.559 -4.628 10.438 1.00 0.00 C ATOM 478 CD1 PHE A 30 -1.618 -4.722 11.349 1.00 0.00 C ATOM 479 CD2 PHE A 30 0.037 -5.791 9.935 1.00 0.00 C ATOM 480 CE1 PHE A 30 -2.081 -5.979 11.757 1.00 0.00 C ATOM 481 CE2 PHE A 30 -0.426 -7.048 10.343 1.00 0.00 C ATOM 482 CZ PHE A 30 -1.485 -7.142 11.254 1.00 0.00 C ATOM 0 H PHE A 30 1.039 -0.988 9.802 1.00 0.00 H new ATOM 0 HA PHE A 30 0.687 -2.919 12.004 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.887 -2.564 9.959 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.352 -3.336 8.990 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.078 -3.825 11.737 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.854 -5.719 9.232 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.898 -6.051 12.460 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.034 -7.945 9.955 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.842 -8.111 11.569 1.00 0.00 H new ATOM 492 N SER A 31 2.984 -3.356 9.670 1.00 0.00 N ATOM 493 CA SER A 31 4.238 -4.122 9.406 1.00 0.00 C ATOM 494 C SER A 31 5.443 -3.184 9.539 1.00 0.00 C ATOM 495 O SER A 31 6.038 -2.786 8.558 1.00 0.00 O ATOM 496 CB SER A 31 4.183 -4.698 7.990 1.00 0.00 C ATOM 497 OG SER A 31 4.975 -5.876 7.934 1.00 0.00 O ATOM 0 H SER A 31 2.734 -2.674 8.954 1.00 0.00 H new ATOM 0 HA SER A 31 4.336 -4.935 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.153 -4.925 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.549 -3.965 7.272 1.00 0.00 H new ATOM 0 HG SER A 31 4.817 -6.336 7.083 1.00 0.00 H new ATOM 503 N PRO A 32 5.794 -2.819 10.746 1.00 0.00 N ATOM 504 CA PRO A 32 6.938 -1.897 11.000 1.00 0.00 C ATOM 505 C PRO A 32 8.280 -2.490 10.565 1.00 0.00 C ATOM 506 O PRO A 32 9.239 -1.774 10.362 1.00 0.00 O ATOM 507 CB PRO A 32 6.912 -1.672 12.518 1.00 0.00 C ATOM 508 CG PRO A 32 6.150 -2.828 13.076 1.00 0.00 C ATOM 509 CD PRO A 32 5.148 -3.241 12.001 1.00 0.00 C ATOM 0 HA PRO A 32 6.838 -0.975 10.427 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.922 -1.633 12.927 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.430 -0.727 12.767 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.819 -3.653 13.321 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.639 -2.548 13.997 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.964 -4.315 12.016 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.185 -2.751 12.141 1.00 0.00 H new ATOM 517 N TYR A 33 8.370 -3.786 10.423 1.00 0.00 N ATOM 518 CA TYR A 33 9.664 -4.388 10.009 1.00 0.00 C ATOM 519 C TYR A 33 9.921 -4.100 8.528 1.00 0.00 C ATOM 520 O TYR A 33 11.025 -4.256 8.045 1.00 0.00 O ATOM 521 CB TYR A 33 9.618 -5.906 10.234 1.00 0.00 C ATOM 522 CG TYR A 33 8.682 -6.221 11.378 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.092 -6.002 12.699 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.406 -6.734 11.117 1.00 0.00 C ATOM 525 CE1 TYR A 33 8.223 -6.296 13.758 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.537 -7.027 12.176 1.00 0.00 C ATOM 527 CZ TYR A 33 6.948 -6.808 13.497 1.00 0.00 C ATOM 528 OH TYR A 33 6.093 -7.098 14.542 1.00 0.00 O ATOM 0 H TYR A 33 7.608 -4.447 10.575 1.00 0.00 H new ATOM 0 HA TYR A 33 10.468 -3.954 10.604 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.282 -6.408 9.327 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.617 -6.282 10.454 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.077 -5.607 12.901 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.091 -6.904 10.098 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.538 -6.127 14.777 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.552 -7.421 11.974 1.00 0.00 H new ATOM 0 HH TYR A 33 5.248 -7.444 14.187 1.00 0.00 H new ATOM 538 N PHE A 34 8.924 -3.679 7.796 1.00 0.00 N ATOM 539 CA PHE A 34 9.157 -3.391 6.353 1.00 0.00 C ATOM 540 C PHE A 34 10.092 -2.216 6.233 1.00 0.00 C ATOM 541 O PHE A 34 9.837 -1.139 6.734 1.00 0.00 O ATOM 542 CB PHE A 34 7.841 -3.055 5.622 1.00 0.00 C ATOM 543 CG PHE A 34 7.456 -4.180 4.692 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.961 -4.222 3.386 1.00 0.00 C ATOM 545 CD2 PHE A 34 6.596 -5.184 5.141 1.00 0.00 C ATOM 546 CE1 PHE A 34 7.606 -5.274 2.534 1.00 0.00 C ATOM 547 CE2 PHE A 34 6.239 -6.234 4.289 1.00 0.00 C ATOM 548 CZ PHE A 34 6.745 -6.280 2.986 1.00 0.00 C ATOM 0 H PHE A 34 7.972 -3.524 8.129 1.00 0.00 H new ATOM 0 HA PHE A 34 9.587 -4.281 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.046 -2.887 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.957 -2.130 5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.623 -3.444 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.206 -5.150 6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.997 -5.309 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.573 -7.009 4.637 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.471 -7.092 2.329 1.00 0.00 H new ATOM 558 N THR A 35 11.177 -2.417 5.563 1.00 0.00 N ATOM 559 CA THR A 35 12.130 -1.315 5.403 1.00 0.00 C ATOM 560 C THR A 35 11.635 -0.386 4.319 1.00 0.00 C ATOM 561 O THR A 35 11.081 -0.800 3.322 1.00 0.00 O ATOM 562 CB THR A 35 13.502 -1.868 5.043 1.00 0.00 C ATOM 563 OG1 THR A 35 13.420 -3.276 4.876 1.00 0.00 O ATOM 564 CG2 THR A 35 14.444 -1.535 6.180 1.00 0.00 C ATOM 0 H THR A 35 11.442 -3.297 5.121 1.00 0.00 H new ATOM 0 HA THR A 35 12.215 -0.761 6.338 1.00 0.00 H new ATOM 0 HB THR A 35 13.862 -1.431 4.112 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.624 -3.508 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.439 -1.919 5.953 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.493 -0.454 6.307 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.080 -1.993 7.100 1.00 0.00 H new ATOM 572 N GLN A 36 11.829 0.869 4.519 1.00 0.00 N ATOM 573 CA GLN A 36 11.371 1.855 3.529 1.00 0.00 C ATOM 574 C GLN A 36 11.888 1.483 2.148 1.00 0.00 C ATOM 575 O GLN A 36 11.277 1.793 1.155 1.00 0.00 O ATOM 576 CB GLN A 36 11.918 3.211 3.934 1.00 0.00 C ATOM 577 CG GLN A 36 11.206 4.311 3.144 1.00 0.00 C ATOM 578 CD GLN A 36 9.691 4.122 3.210 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.160 3.722 4.226 1.00 0.00 O ATOM 580 NE2 GLN A 36 8.971 4.403 2.160 1.00 0.00 N ATOM 0 H GLN A 36 12.292 1.262 5.338 1.00 0.00 H new ATOM 0 HA GLN A 36 10.282 1.878 3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.775 3.367 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.991 3.252 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.474 5.288 3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.536 4.293 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.421 4.739 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.958 4.287 2.190 1.00 0.00 H new ATOM 589 N GLU A 37 12.999 0.808 2.087 1.00 0.00 N ATOM 590 CA GLU A 37 13.554 0.403 0.765 1.00 0.00 C ATOM 591 C GLU A 37 12.719 -0.755 0.209 1.00 0.00 C ATOM 592 O GLU A 37 12.461 -0.832 -0.974 1.00 0.00 O ATOM 593 CB GLU A 37 15.018 -0.034 0.934 1.00 0.00 C ATOM 594 CG GLU A 37 15.898 0.681 -0.095 1.00 0.00 C ATOM 595 CD GLU A 37 16.037 2.155 0.289 1.00 0.00 C ATOM 596 OE1 GLU A 37 15.562 2.518 1.353 1.00 0.00 O ATOM 597 OE2 GLU A 37 16.616 2.897 -0.487 1.00 0.00 O ATOM 0 H GLU A 37 13.549 0.518 2.896 1.00 0.00 H new ATOM 0 HA GLU A 37 13.516 1.243 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.361 0.197 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.101 -1.114 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.881 0.211 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.459 0.593 -1.089 1.00 0.00 H new ATOM 604 N ASP A 38 12.286 -1.650 1.054 1.00 0.00 N ATOM 605 CA ASP A 38 11.459 -2.788 0.564 1.00 0.00 C ATOM 606 C ASP A 38 10.058 -2.277 0.218 1.00 0.00 C ATOM 607 O ASP A 38 9.440 -2.718 -0.729 1.00 0.00 O ATOM 608 CB ASP A 38 11.358 -3.855 1.657 1.00 0.00 C ATOM 609 CG ASP A 38 12.698 -4.579 1.789 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.231 -4.987 0.770 1.00 0.00 O ATOM 611 OD2 ASP A 38 13.171 -4.712 2.906 1.00 0.00 O ATOM 0 H ASP A 38 12.468 -1.643 2.058 1.00 0.00 H new ATOM 0 HA ASP A 38 11.921 -3.223 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.087 -3.393 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.570 -4.568 1.413 1.00 0.00 H new ATOM 616 N ILE A 39 9.556 -1.345 0.983 1.00 0.00 N ATOM 617 CA ILE A 39 8.197 -0.795 0.708 1.00 0.00 C ATOM 618 C ILE A 39 8.240 0.048 -0.561 1.00 0.00 C ATOM 619 O ILE A 39 7.372 -0.030 -1.401 1.00 0.00 O ATOM 620 CB ILE A 39 7.758 0.097 1.873 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.982 -0.628 3.196 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.269 0.419 1.738 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.078 0.388 4.349 1.00 0.00 C ATOM 0 H ILE A 39 10.031 -0.939 1.790 1.00 0.00 H new ATOM 0 HA ILE A 39 7.495 -1.620 0.587 1.00 0.00 H new ATOM 0 HB ILE A 39 8.344 1.016 1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.163 -1.323 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.897 -1.219 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.957 1.054 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.093 0.940 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.694 -0.507 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.238 -0.142 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.912 1.066 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.152 0.960 4.408 1.00 0.00 H new ATOM 635 N VAL A 40 9.240 0.866 -0.690 1.00 0.00 N ATOM 636 CA VAL A 40 9.356 1.729 -1.887 1.00 0.00 C ATOM 637 C VAL A 40 9.815 0.907 -3.072 1.00 0.00 C ATOM 638 O VAL A 40 9.341 1.087 -4.171 1.00 0.00 O ATOM 639 CB VAL A 40 10.338 2.834 -1.597 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.796 3.638 -0.428 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.690 2.238 -1.256 1.00 0.00 C ATOM 0 H VAL A 40 9.991 0.974 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 40 8.386 2.163 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 40 10.465 3.481 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.486 4.448 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.824 4.055 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.688 2.989 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.399 3.039 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.595 1.599 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.050 1.646 -2.098 1.00 0.00 H new ATOM 651 N LYS A 41 10.703 -0.025 -2.883 1.00 0.00 N ATOM 652 CA LYS A 41 11.103 -0.846 -4.048 1.00 0.00 C ATOM 653 C LYS A 41 9.824 -1.460 -4.586 1.00 0.00 C ATOM 654 O LYS A 41 9.471 -1.303 -5.734 1.00 0.00 O ATOM 655 CB LYS A 41 12.037 -1.976 -3.599 1.00 0.00 C ATOM 656 CG LYS A 41 12.549 -2.745 -4.825 1.00 0.00 C ATOM 657 CD LYS A 41 12.892 -4.184 -4.429 1.00 0.00 C ATOM 658 CE LYS A 41 13.301 -4.973 -5.674 1.00 0.00 C ATOM 659 NZ LYS A 41 14.399 -4.255 -6.380 1.00 0.00 N ATOM 0 H LYS A 41 11.157 -0.248 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 41 11.621 -0.243 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.877 -1.565 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.508 -2.653 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.791 -2.745 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.430 -2.251 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.703 -4.188 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.033 -4.656 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.629 -5.973 -5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.445 -5.094 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.891 -4.914 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.001 -3.470 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.073 -3.879 -5.683 1.00 0.00 H new ATOM 673 N PHE A 42 9.143 -2.169 -3.736 1.00 0.00 N ATOM 674 CA PHE A 42 7.886 -2.840 -4.131 1.00 0.00 C ATOM 675 C PHE A 42 6.794 -1.824 -4.507 1.00 0.00 C ATOM 676 O PHE A 42 6.148 -1.961 -5.525 1.00 0.00 O ATOM 677 CB PHE A 42 7.412 -3.696 -2.961 1.00 0.00 C ATOM 678 CG PHE A 42 6.081 -4.291 -3.317 1.00 0.00 C ATOM 679 CD1 PHE A 42 5.980 -5.151 -4.417 1.00 0.00 C ATOM 680 CD2 PHE A 42 4.951 -3.975 -2.565 1.00 0.00 C ATOM 681 CE1 PHE A 42 4.744 -5.694 -4.764 1.00 0.00 C ATOM 682 CE2 PHE A 42 3.716 -4.519 -2.908 1.00 0.00 C ATOM 683 CZ PHE A 42 3.612 -5.379 -4.012 1.00 0.00 C ATOM 0 H PHE A 42 9.414 -2.313 -2.763 1.00 0.00 H new ATOM 0 HA PHE A 42 8.076 -3.456 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.135 -4.484 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.328 -3.091 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.859 -5.393 -4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.033 -3.310 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.663 -6.357 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.839 -4.279 -2.325 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.653 -5.798 -4.280 1.00 0.00 H new ATOM 693 N PHE A 43 6.578 -0.803 -3.714 1.00 0.00 N ATOM 694 CA PHE A 43 5.527 0.193 -4.075 1.00 0.00 C ATOM 695 C PHE A 43 5.914 0.816 -5.407 1.00 0.00 C ATOM 696 O PHE A 43 5.149 0.850 -6.351 1.00 0.00 O ATOM 697 CB PHE A 43 5.488 1.259 -2.995 1.00 0.00 C ATOM 698 CG PHE A 43 4.621 2.424 -3.411 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.083 3.356 -4.343 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.373 2.604 -2.811 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.292 4.454 -4.677 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.592 3.709 -3.142 1.00 0.00 C ATOM 703 CZ PHE A 43 3.049 4.632 -4.076 1.00 0.00 C ATOM 0 H PHE A 43 7.078 -0.619 -2.844 1.00 0.00 H new ATOM 0 HA PHE A 43 4.546 -0.274 -4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.105 0.829 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.499 1.610 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.051 3.226 -4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.013 1.886 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.645 5.170 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.630 3.849 -2.672 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.440 5.486 -4.335 1.00 0.00 H new ATOM 713 N GLU A 44 7.131 1.263 -5.491 1.00 0.00 N ATOM 714 CA GLU A 44 7.609 1.835 -6.774 1.00 0.00 C ATOM 715 C GLU A 44 7.357 0.775 -7.850 1.00 0.00 C ATOM 716 O GLU A 44 7.047 1.072 -8.986 1.00 0.00 O ATOM 717 CB GLU A 44 9.105 2.151 -6.684 1.00 0.00 C ATOM 718 CG GLU A 44 9.339 3.254 -5.641 1.00 0.00 C ATOM 719 CD GLU A 44 9.190 4.627 -6.303 1.00 0.00 C ATOM 720 OE1 GLU A 44 9.909 4.885 -7.254 1.00 0.00 O ATOM 721 OE2 GLU A 44 8.362 5.396 -5.845 1.00 0.00 O ATOM 0 H GLU A 44 7.812 1.257 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 44 7.087 2.763 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.660 1.254 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.478 2.472 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.624 3.153 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.334 3.154 -5.208 1.00 0.00 H new ATOM 728 N GLU A 45 7.484 -0.472 -7.470 1.00 0.00 N ATOM 729 CA GLU A 45 7.257 -1.604 -8.411 1.00 0.00 C ATOM 730 C GLU A 45 5.763 -1.853 -8.626 1.00 0.00 C ATOM 731 O GLU A 45 5.339 -2.240 -9.696 1.00 0.00 O ATOM 732 CB GLU A 45 7.847 -2.870 -7.793 1.00 0.00 C ATOM 733 CG GLU A 45 8.353 -3.791 -8.897 1.00 0.00 C ATOM 734 CD GLU A 45 7.206 -4.130 -9.851 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.405 -4.983 -9.504 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.149 -3.530 -10.913 1.00 0.00 O ATOM 0 H GLU A 45 7.742 -0.755 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 45 7.723 -1.357 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.664 -2.611 -7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.092 -3.382 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.163 -3.308 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.761 -4.704 -8.464 1.00 0.00 H new ATOM 743 N ILE A 46 4.965 -1.679 -7.607 1.00 0.00 N ATOM 744 CA ILE A 46 3.510 -1.958 -7.755 1.00 0.00 C ATOM 745 C ILE A 46 2.777 -0.706 -8.236 1.00 0.00 C ATOM 746 O ILE A 46 1.850 -0.794 -9.017 1.00 0.00 O ATOM 747 CB ILE A 46 2.945 -2.461 -6.415 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.985 -3.629 -6.677 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.191 -1.353 -5.699 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.765 -4.856 -7.167 1.00 0.00 C ATOM 0 H ILE A 46 5.257 -1.358 -6.684 1.00 0.00 H new ATOM 0 HA ILE A 46 3.361 -2.735 -8.505 1.00 0.00 H new ATOM 0 HB ILE A 46 3.775 -2.785 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.442 -3.875 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.243 -3.340 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.800 -1.731 -4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.866 -0.520 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.365 -1.013 -6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.073 -5.678 -7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.288 -4.610 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.490 -5.153 -6.409 1.00 0.00 H new ATOM 762 N ASP A 47 3.196 0.461 -7.830 1.00 0.00 N ATOM 763 CA ASP A 47 2.521 1.680 -8.342 1.00 0.00 C ATOM 764 C ASP A 47 2.864 1.754 -9.821 1.00 0.00 C ATOM 765 O ASP A 47 3.750 2.478 -10.230 1.00 0.00 O ATOM 766 CB ASP A 47 3.055 2.922 -7.621 1.00 0.00 C ATOM 767 CG ASP A 47 2.579 4.182 -8.347 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.457 4.176 -8.828 1.00 0.00 O ATOM 769 OD2 ASP A 47 3.344 5.130 -8.410 1.00 0.00 O ATOM 0 H ASP A 47 3.963 0.620 -7.177 1.00 0.00 H new ATOM 0 HA ASP A 47 1.444 1.640 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.708 2.932 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.144 2.897 -7.591 1.00 0.00 H new ATOM 774 N VAL A 48 2.213 0.962 -10.625 1.00 0.00 N ATOM 775 CA VAL A 48 2.522 0.907 -12.086 1.00 0.00 C ATOM 776 C VAL A 48 1.989 2.096 -12.861 1.00 0.00 C ATOM 777 O VAL A 48 2.448 2.398 -13.944 1.00 0.00 O ATOM 778 CB VAL A 48 1.789 -0.306 -12.645 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.284 -0.170 -12.357 1.00 0.00 C ATOM 780 CG2 VAL A 48 1.995 -0.372 -14.158 1.00 0.00 C ATOM 0 H VAL A 48 1.464 0.337 -10.328 1.00 0.00 H new ATOM 0 HA VAL A 48 3.607 0.881 -12.190 1.00 0.00 H new ATOM 0 HB VAL A 48 2.178 -1.210 -12.177 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.243 -1.037 -12.756 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.123 -0.112 -11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.097 0.735 -12.830 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.471 -1.240 -14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.602 0.534 -14.619 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.059 -0.458 -14.377 1.00 0.00 H new ATOM 790 N ASP A 49 0.991 2.723 -12.366 1.00 0.00 N ATOM 791 CA ASP A 49 0.391 3.835 -13.133 1.00 0.00 C ATOM 792 C ASP A 49 1.288 5.053 -13.014 1.00 0.00 C ATOM 793 O ASP A 49 1.199 5.987 -13.784 1.00 0.00 O ATOM 794 CB ASP A 49 -1.021 4.081 -12.598 1.00 0.00 C ATOM 795 CG ASP A 49 -1.230 5.554 -12.242 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.971 6.394 -13.089 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.652 5.815 -11.129 1.00 0.00 O ATOM 0 H ASP A 49 0.557 2.523 -11.465 1.00 0.00 H new ATOM 0 HA ASP A 49 0.308 3.598 -14.194 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.754 3.778 -13.346 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.191 3.464 -11.716 1.00 0.00 H new ATOM 802 N GLY A 50 2.193 5.023 -12.087 1.00 0.00 N ATOM 803 CA GLY A 50 3.146 6.138 -11.938 1.00 0.00 C ATOM 804 C GLY A 50 2.476 7.376 -11.344 1.00 0.00 C ATOM 805 O GLY A 50 3.067 8.437 -11.295 1.00 0.00 O ATOM 0 H GLY A 50 2.312 4.262 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.972 5.828 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.572 6.385 -12.910 1.00 0.00 H new ATOM 809 N ASN A 51 1.274 7.261 -10.864 1.00 0.00 N ATOM 810 CA ASN A 51 0.624 8.447 -10.252 1.00 0.00 C ATOM 811 C ASN A 51 1.211 8.605 -8.859 1.00 0.00 C ATOM 812 O ASN A 51 0.851 9.488 -8.107 1.00 0.00 O ATOM 813 CB ASN A 51 -0.887 8.233 -10.158 1.00 0.00 C ATOM 814 CG ASN A 51 -1.538 9.464 -9.522 1.00 0.00 C ATOM 815 OD1 ASN A 51 -0.920 10.503 -9.413 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.769 9.388 -9.099 1.00 0.00 N ATOM 0 H ASN A 51 0.718 6.406 -10.868 1.00 0.00 H new ATOM 0 HA ASN A 51 0.799 9.338 -10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.303 8.060 -11.151 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.103 7.346 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.214 10.202 -8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.287 8.514 -9.191 1.00 0.00 H new ATOM 823 N GLY A 52 2.121 7.734 -8.517 1.00 0.00 N ATOM 824 CA GLY A 52 2.752 7.797 -7.177 1.00 0.00 C ATOM 825 C GLY A 52 1.786 7.216 -6.150 1.00 0.00 C ATOM 826 O GLY A 52 1.833 7.549 -4.982 1.00 0.00 O ATOM 0 H GLY A 52 2.454 6.978 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.687 7.237 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.997 8.828 -6.923 1.00 0.00 H new ATOM 830 N GLU A 53 0.886 6.369 -6.580 1.00 0.00 N ATOM 831 CA GLU A 53 -0.102 5.791 -5.625 1.00 0.00 C ATOM 832 C GLU A 53 -0.466 4.364 -6.018 1.00 0.00 C ATOM 833 O GLU A 53 -0.361 3.969 -7.163 1.00 0.00 O ATOM 834 CB GLU A 53 -1.381 6.654 -5.628 1.00 0.00 C ATOM 835 CG GLU A 53 -1.051 8.078 -6.086 1.00 0.00 C ATOM 836 CD GLU A 53 -2.317 8.935 -6.034 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.291 8.482 -5.456 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.291 10.028 -6.572 1.00 0.00 O ATOM 0 H GLU A 53 0.794 6.055 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 53 0.345 5.779 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.125 6.213 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.817 6.676 -4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.281 8.508 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.651 8.062 -7.100 1.00 0.00 H new ATOM 845 N LEU A 54 -0.921 3.594 -5.065 1.00 0.00 N ATOM 846 CA LEU A 54 -1.325 2.210 -5.358 1.00 0.00 C ATOM 847 C LEU A 54 -2.704 2.231 -5.981 1.00 0.00 C ATOM 848 O LEU A 54 -3.598 2.890 -5.501 1.00 0.00 O ATOM 849 CB LEU A 54 -1.440 1.446 -4.053 1.00 0.00 C ATOM 850 CG LEU A 54 -0.087 1.234 -3.382 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.090 1.348 -4.368 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.024 2.255 -2.281 1.00 0.00 C ATOM 0 H LEU A 54 -1.027 3.878 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.595 1.748 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.098 1.989 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.905 0.478 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.031 0.220 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.028 1.188 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.984 0.596 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.093 2.341 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.981 2.139 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.042 3.257 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.787 2.110 -1.567 1.00 0.00 H new ATOM 864 N ASN A 55 -2.889 1.513 -7.039 1.00 0.00 N ATOM 865 CA ASN A 55 -4.234 1.486 -7.688 1.00 0.00 C ATOM 866 C ASN A 55 -5.023 0.300 -7.147 1.00 0.00 C ATOM 867 O ASN A 55 -4.550 -0.443 -6.312 1.00 0.00 O ATOM 868 CB ASN A 55 -4.106 1.357 -9.210 1.00 0.00 C ATOM 869 CG ASN A 55 -2.662 1.048 -9.595 1.00 0.00 C ATOM 870 OD1 ASN A 55 -2.423 0.073 -10.425 1.00 0.00 O flip ATOM 871 ND2 ASN A 55 -1.743 1.701 -9.139 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.175 0.941 -7.490 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.749 2.420 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.763 0.566 -9.571 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.427 2.282 -9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.933 2.464 -8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.782 1.486 -9.406 1.00 0.00 H new ATOM 878 N ALA A 56 -6.225 0.124 -7.621 1.00 0.00 N ATOM 879 CA ALA A 56 -7.077 -1.003 -7.130 1.00 0.00 C ATOM 880 C ALA A 56 -6.460 -2.371 -7.490 1.00 0.00 C ATOM 881 O ALA A 56 -6.167 -3.172 -6.617 1.00 0.00 O ATOM 882 CB ALA A 56 -8.475 -0.837 -7.729 1.00 0.00 C ATOM 0 H ALA A 56 -6.659 0.714 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.141 -0.975 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.117 -1.648 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.896 0.117 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.410 -0.862 -8.817 1.00 0.00 H new ATOM 888 N ASP A 57 -6.260 -2.680 -8.741 1.00 0.00 N ATOM 889 CA ASP A 57 -5.671 -4.015 -9.071 1.00 0.00 C ATOM 890 C ASP A 57 -4.287 -4.149 -8.424 1.00 0.00 C ATOM 891 O ASP A 57 -3.945 -5.171 -7.842 1.00 0.00 O ATOM 892 CB ASP A 57 -5.538 -4.148 -10.589 1.00 0.00 C ATOM 893 CG ASP A 57 -5.279 -5.611 -10.955 1.00 0.00 C ATOM 894 OD1 ASP A 57 -6.244 -6.344 -11.101 1.00 0.00 O ATOM 895 OD2 ASP A 57 -4.122 -5.973 -11.083 1.00 0.00 O ATOM 0 H ASP A 57 -6.473 -2.081 -9.538 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.323 -4.800 -8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.447 -3.796 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.721 -3.522 -10.949 1.00 0.00 H new ATOM 900 N GLU A 58 -3.491 -3.121 -8.505 1.00 0.00 N ATOM 901 CA GLU A 58 -2.141 -3.186 -7.890 1.00 0.00 C ATOM 902 C GLU A 58 -2.322 -3.251 -6.382 1.00 0.00 C ATOM 903 O GLU A 58 -1.527 -3.828 -5.673 1.00 0.00 O ATOM 904 CB GLU A 58 -1.316 -1.949 -8.275 1.00 0.00 C ATOM 905 CG GLU A 58 -0.799 -2.076 -9.714 1.00 0.00 C ATOM 906 CD GLU A 58 0.111 -3.300 -9.848 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.405 -4.375 -10.106 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.312 -3.138 -9.705 1.00 0.00 O ATOM 0 H GLU A 58 -3.717 -2.242 -8.969 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.605 -4.066 -8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.928 -1.052 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.476 -1.836 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.639 -2.163 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.251 -1.175 -9.991 1.00 0.00 H new ATOM 915 N PHE A 59 -3.377 -2.662 -5.894 1.00 0.00 N ATOM 916 CA PHE A 59 -3.643 -2.682 -4.432 1.00 0.00 C ATOM 917 C PHE A 59 -3.680 -4.125 -3.942 1.00 0.00 C ATOM 918 O PHE A 59 -3.098 -4.468 -2.935 1.00 0.00 O ATOM 919 CB PHE A 59 -5.032 -2.105 -4.173 1.00 0.00 C ATOM 920 CG PHE A 59 -4.956 -0.704 -3.674 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.144 -0.387 -2.591 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.712 0.281 -4.297 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.091 0.924 -2.148 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.658 1.576 -3.857 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.851 1.907 -2.789 1.00 0.00 C ATOM 0 H PHE A 59 -4.071 -2.164 -6.451 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.865 -2.111 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.616 -2.134 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.554 -2.724 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.562 -1.154 -2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.346 0.024 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.464 1.187 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.247 2.338 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.806 2.930 -2.446 1.00 0.00 H new ATOM 935 N THR A 60 -4.361 -4.980 -4.652 1.00 0.00 N ATOM 936 CA THR A 60 -4.428 -6.396 -4.218 1.00 0.00 C ATOM 937 C THR A 60 -3.037 -6.988 -4.320 1.00 0.00 C ATOM 938 O THR A 60 -2.544 -7.615 -3.405 1.00 0.00 O ATOM 939 CB THR A 60 -5.402 -7.155 -5.112 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.953 -7.097 -6.459 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.774 -6.500 -4.993 1.00 0.00 C ATOM 0 H THR A 60 -4.870 -4.759 -5.508 1.00 0.00 H new ATOM 0 HA THR A 60 -4.781 -6.468 -3.189 1.00 0.00 H new ATOM 0 HB THR A 60 -5.462 -8.200 -4.806 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.975 -6.168 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.486 -7.029 -5.626 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.109 -6.542 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.709 -5.459 -5.311 1.00 0.00 H new ATOM 949 N SER A 61 -2.383 -6.759 -5.416 1.00 0.00 N ATOM 950 CA SER A 61 -1.001 -7.272 -5.557 1.00 0.00 C ATOM 951 C SER A 61 -0.105 -6.481 -4.603 1.00 0.00 C ATOM 952 O SER A 61 0.960 -6.939 -4.186 1.00 0.00 O ATOM 953 CB SER A 61 -0.520 -7.069 -6.996 1.00 0.00 C ATOM 954 OG SER A 61 0.556 -7.958 -7.262 1.00 0.00 O ATOM 0 H SER A 61 -2.743 -6.241 -6.217 1.00 0.00 H new ATOM 0 HA SER A 61 -0.966 -8.336 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.338 -7.250 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.199 -6.038 -7.142 1.00 0.00 H new ATOM 0 HG SER A 61 0.865 -7.831 -8.183 1.00 0.00 H new ATOM 960 N CYS A 62 -0.571 -5.333 -4.168 1.00 0.00 N ATOM 961 CA CYS A 62 0.228 -4.543 -3.198 1.00 0.00 C ATOM 962 C CYS A 62 0.266 -5.327 -1.908 1.00 0.00 C ATOM 963 O CYS A 62 1.258 -5.371 -1.209 1.00 0.00 O ATOM 964 CB CYS A 62 -0.416 -3.175 -2.951 1.00 0.00 C ATOM 965 SG CYS A 62 0.747 -2.123 -2.048 1.00 0.00 S ATOM 0 H CYS A 62 -1.461 -4.919 -4.444 1.00 0.00 H new ATOM 0 HA CYS A 62 1.232 -4.373 -3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.685 -2.710 -3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.338 -3.291 -2.381 1.00 0.00 H new ATOM 0 HG CYS A 62 0.637 -2.349 -0.773 1.00 0.00 H new ATOM 971 N ILE A 63 -0.813 -5.973 -1.602 1.00 0.00 N ATOM 972 CA ILE A 63 -0.848 -6.786 -0.377 1.00 0.00 C ATOM 973 C ILE A 63 -0.251 -8.143 -0.691 1.00 0.00 C ATOM 974 O ILE A 63 0.395 -8.731 0.149 1.00 0.00 O ATOM 975 CB ILE A 63 -2.285 -6.932 0.111 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.927 -5.545 0.168 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.294 -7.558 1.511 1.00 0.00 C ATOM 978 CD1 ILE A 63 -1.989 -4.572 0.883 1.00 0.00 C ATOM 0 H ILE A 63 -1.673 -5.971 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.272 -6.305 0.413 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.844 -7.574 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.136 -5.189 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.881 -5.597 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.323 -7.661 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.824 -8.541 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.742 -6.918 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.450 -3.585 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.802 -4.925 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.046 -4.511 0.341 1.00 0.00 H new ATOM 990 N GLU A 64 -0.415 -8.659 -1.889 1.00 0.00 N ATOM 991 CA GLU A 64 0.200 -9.971 -2.190 1.00 0.00 C ATOM 992 C GLU A 64 1.671 -9.900 -1.824 1.00 0.00 C ATOM 993 O GLU A 64 2.288 -10.905 -1.529 1.00 0.00 O ATOM 994 CB GLU A 64 0.051 -10.285 -3.680 1.00 0.00 C ATOM 995 CG GLU A 64 0.518 -11.717 -3.950 1.00 0.00 C ATOM 996 CD GLU A 64 -0.463 -12.705 -3.312 1.00 0.00 C ATOM 997 OE1 GLU A 64 -1.648 -12.416 -3.314 1.00 0.00 O ATOM 998 OE2 GLU A 64 -0.010 -13.731 -2.834 1.00 0.00 O ATOM 0 H GLU A 64 -0.940 -8.230 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.293 -10.757 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.989 -10.167 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.638 -9.582 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.581 -11.894 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.518 -11.867 -3.543 1.00 0.00 H new ATOM 1005 N LYS A 65 2.246 -8.720 -1.778 1.00 0.00 N ATOM 1006 CA LYS A 65 3.675 -8.656 -1.352 1.00 0.00 C ATOM 1007 C LYS A 65 3.745 -9.328 0.033 1.00 0.00 C ATOM 1008 O LYS A 65 4.799 -9.574 0.585 1.00 0.00 O ATOM 1009 CB LYS A 65 4.129 -7.183 -1.299 1.00 0.00 C ATOM 1010 CG LYS A 65 5.233 -6.964 -0.252 1.00 0.00 C ATOM 1011 CD LYS A 65 6.498 -7.753 -0.628 1.00 0.00 C ATOM 1012 CE LYS A 65 7.355 -6.947 -1.619 1.00 0.00 C ATOM 1013 NZ LYS A 65 8.440 -7.820 -2.153 1.00 0.00 N ATOM 0 H LYS A 65 1.804 -7.830 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 65 4.339 -9.168 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.493 -6.879 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.275 -6.547 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.468 -5.902 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.879 -7.280 0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.077 -7.973 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.220 -8.709 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.736 -6.576 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.784 -6.076 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.022 -7.279 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.035 -8.153 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.020 -8.637 -2.640 1.00 0.00 H new ATOM 1027 N MET A 66 2.586 -9.651 0.554 1.00 0.00 N ATOM 1028 CA MET A 66 2.448 -10.333 1.849 1.00 0.00 C ATOM 1029 C MET A 66 1.010 -10.849 1.868 1.00 0.00 C ATOM 1030 O MET A 66 0.313 -10.764 0.879 1.00 0.00 O ATOM 1031 CB MET A 66 2.670 -9.344 2.997 1.00 0.00 C ATOM 1032 CG MET A 66 1.817 -8.094 2.771 1.00 0.00 C ATOM 1033 SD MET A 66 2.158 -6.889 4.079 1.00 0.00 S ATOM 1034 CE MET A 66 2.612 -5.498 3.011 1.00 0.00 C ATOM 0 H MET A 66 1.695 -9.453 0.099 1.00 0.00 H new ATOM 0 HA MET A 66 3.177 -11.134 1.972 1.00 0.00 H new ATOM 0 HB2 MET A 66 2.407 -9.809 3.947 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.724 -9.071 3.057 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.038 -7.661 1.796 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.759 -8.357 2.770 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.864 -4.634 3.626 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.473 -5.773 2.402 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.773 -5.249 2.362 1.00 0.00 H new ATOM 1044 N LEU A 67 0.552 -11.387 2.941 1.00 0.00 N ATOM 1045 CA LEU A 67 -0.850 -11.902 2.963 1.00 0.00 C ATOM 1046 C LEU A 67 -1.068 -12.836 1.770 1.00 0.00 C ATOM 1047 CB LEU A 67 -1.833 -10.722 2.886 1.00 0.00 C ATOM 1048 CG LEU A 67 -3.147 -11.072 3.608 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -3.700 -12.391 3.060 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -2.902 -11.203 5.119 1.00 0.00 C ATOM 0 H LEU A 67 1.074 -11.499 3.810 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.022 -12.452 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.386 -9.837 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.037 -10.477 1.844 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.870 -10.275 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.630 -12.637 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.890 -12.290 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.974 -13.187 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.838 -11.451 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.173 -11.992 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.521 -10.259 5.509 1.00 0.00 H new TER 1062 LEU A 67