USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 746 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 6 HIS : no HD1:sc= 0.741 K(o=1.6,f=-2.8) USER MOD Set 1.2: A 9 HIS : no HD1:sc= 0.871 K(o=1.6,f=-4.9!) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0187) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0376 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc=-0.00876 X(o=-0.0088,f=-0.081) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.017) USER MOD Single : A 10 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.87) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -172:sc= 0 (180deg=-0.0707) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.482 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.635 K(o=0.63,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -138:sc= -3.3 (180deg=-5.95!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0.389 USER MOD Single : A 112 HIS : no HD1:sc= -0.977 K(o=-0.98,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 108.906 24.637 -98.511 1.00 0.00 N ATOM 2 CA MET A 1 107.965 24.188 -97.435 1.00 0.00 C ATOM 3 C MET A 1 107.072 23.033 -97.926 1.00 0.00 C ATOM 4 O MET A 1 106.814 22.920 -99.125 1.00 0.00 O ATOM 5 CB MET A 1 107.082 25.343 -96.894 1.00 0.00 C ATOM 6 CG MET A 1 107.861 26.397 -96.086 1.00 0.00 C ATOM 7 SD MET A 1 106.863 27.778 -95.449 1.00 0.00 S ATOM 8 CE MET A 1 105.886 26.948 -94.163 1.00 0.00 C ATOM 0 H1 MET A 1 109.877 24.363 -98.259 1.00 0.00 H new ATOM 0 H2 MET A 1 108.642 24.189 -99.412 1.00 0.00 H new ATOM 0 H3 MET A 1 108.853 25.671 -98.610 1.00 0.00 H new ATOM 0 HA MET A 1 108.588 23.836 -96.612 1.00 0.00 H new ATOM 0 HB2 MET A 1 106.589 25.834 -97.733 1.00 0.00 H new ATOM 0 HB3 MET A 1 106.298 24.923 -96.264 1.00 0.00 H new ATOM 0 HG2 MET A 1 108.345 25.901 -95.245 1.00 0.00 H new ATOM 0 HG3 MET A 1 108.653 26.802 -96.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 105.278 27.684 -93.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 105.237 26.203 -94.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 106.556 26.458 -93.456 1.00 0.00 H new ATOM 20 N ARG A 2 106.588 22.184 -97.000 1.00 0.00 N ATOM 21 CA ARG A 2 105.636 21.069 -97.241 1.00 0.00 C ATOM 22 C ARG A 2 106.049 20.121 -98.388 1.00 0.00 C ATOM 23 O ARG A 2 105.252 19.783 -99.264 1.00 0.00 O ATOM 24 CB ARG A 2 104.204 21.639 -97.351 1.00 0.00 C ATOM 25 CG ARG A 2 103.117 20.594 -97.033 1.00 0.00 C ATOM 26 CD ARG A 2 101.700 21.163 -97.196 1.00 0.00 C ATOM 27 NE ARG A 2 101.395 21.517 -98.599 1.00 0.00 N ATOM 28 CZ ARG A 2 100.995 20.711 -99.569 1.00 0.00 C ATOM 29 NH1 ARG A 2 100.800 19.435 -99.382 1.00 0.00 N ATOM 30 NH2 ARG A 2 100.776 21.181-100.764 1.00 0.00 N ATOM 0 H ARG A 2 106.858 22.254 -96.019 1.00 0.00 H new ATOM 0 HA ARG A 2 105.661 20.401 -96.380 1.00 0.00 H new ATOM 0 HB2 ARG A 2 104.101 22.483 -96.669 1.00 0.00 H new ATOM 0 HB3 ARG A 2 104.048 22.023 -98.359 1.00 0.00 H new ATOM 0 HG2 ARG A 2 103.239 19.734 -97.691 1.00 0.00 H new ATOM 0 HG3 ARG A 2 103.248 20.236 -96.012 1.00 0.00 H new ATOM 0 HD2 ARG A 2 100.974 20.431 -96.842 1.00 0.00 H new ATOM 0 HD3 ARG A 2 101.592 22.048 -96.569 1.00 0.00 H new ATOM 0 HE ARG A 2 101.506 22.500 -98.849 1.00 0.00 H new ATOM 0 HH11 ARG A 2 100.956 19.025 -98.461 1.00 0.00 H new ATOM 0 HH12 ARG A 2 100.491 18.847-100.156 1.00 0.00 H new ATOM 0 HH21 ARG A 2 100.913 22.174-100.955 1.00 0.00 H new ATOM 0 HH22 ARG A 2 100.468 20.556-101.509 1.00 0.00 H new ATOM 44 N GLY A 3 107.320 19.710 -98.391 1.00 0.00 N ATOM 45 CA GLY A 3 107.877 18.751 -99.355 1.00 0.00 C ATOM 46 C GLY A 3 107.397 17.321 -99.077 1.00 0.00 C ATOM 47 O GLY A 3 107.995 16.623 -98.252 1.00 0.00 O ATOM 0 H GLY A 3 108.006 20.040 -97.711 1.00 0.00 H new ATOM 0 HA2 GLY A 3 107.588 19.042-100.365 1.00 0.00 H new ATOM 0 HA3 GLY A 3 108.966 18.784 -99.313 1.00 0.00 H new ATOM 51 N SER A 4 106.332 16.898 -99.770 1.00 0.00 N ATOM 52 CA SER A 4 105.584 15.641 -99.552 1.00 0.00 C ATOM 53 C SER A 4 104.966 15.493 -98.143 1.00 0.00 C ATOM 54 O SER A 4 105.197 16.303 -97.240 1.00 0.00 O ATOM 55 CB SER A 4 106.436 14.416 -99.937 1.00 0.00 C ATOM 56 OG SER A 4 106.871 14.507-101.290 1.00 0.00 O ATOM 0 H SER A 4 105.945 17.447-100.538 1.00 0.00 H new ATOM 0 HA SER A 4 104.726 15.694-100.222 1.00 0.00 H new ATOM 0 HB2 SER A 4 107.300 14.346 -99.276 1.00 0.00 H new ATOM 0 HB3 SER A 4 105.854 13.505 -99.798 1.00 0.00 H new ATOM 0 HG SER A 4 107.411 13.721-101.513 1.00 0.00 H new ATOM 62 N HIS A 5 104.134 14.459 -97.956 1.00 0.00 N ATOM 63 CA HIS A 5 103.605 14.057 -96.641 1.00 0.00 C ATOM 64 C HIS A 5 104.652 13.290 -95.807 1.00 0.00 C ATOM 65 O HIS A 5 105.664 12.817 -96.338 1.00 0.00 O ATOM 66 CB HIS A 5 102.302 13.259 -96.818 1.00 0.00 C ATOM 67 CG HIS A 5 102.480 11.909 -97.476 1.00 0.00 C ATOM 68 ND1 HIS A 5 102.822 10.723 -96.817 1.00 0.00 N ATOM 69 CD2 HIS A 5 102.320 11.644 -98.806 1.00 0.00 C ATOM 70 CE1 HIS A 5 102.870 9.773 -97.767 1.00 0.00 C ATOM 71 NE2 HIS A 5 102.573 10.298 -98.970 1.00 0.00 N ATOM 0 H HIS A 5 103.804 13.870 -98.721 1.00 0.00 H new ATOM 0 HA HIS A 5 103.374 14.959 -96.074 1.00 0.00 H new ATOM 0 HB2 HIS A 5 101.843 13.115 -95.840 1.00 0.00 H new ATOM 0 HB3 HIS A 5 101.606 13.851 -97.413 1.00 0.00 H new ATOM 0 HD2 HIS A 5 102.049 12.349 -99.578 1.00 0.00 H new ATOM 0 HE1 HIS A 5 103.113 8.736 -97.590 1.00 0.00 H new ATOM 0 HE2 HIS A 5 102.541 9.788 -99.853 1.00 0.00 H new ATOM 79 N HIS A 6 104.415 13.181 -94.492 1.00 0.00 N ATOM 80 CA HIS A 6 105.360 12.594 -93.527 1.00 0.00 C ATOM 81 C HIS A 6 104.989 11.144 -93.171 1.00 0.00 C ATOM 82 O HIS A 6 105.492 10.211 -93.802 1.00 0.00 O ATOM 83 CB HIS A 6 105.525 13.525 -92.311 1.00 0.00 C ATOM 84 CG HIS A 6 105.891 14.940 -92.690 1.00 0.00 C ATOM 85 ND1 HIS A 6 104.983 15.993 -92.855 1.00 0.00 N ATOM 86 CD2 HIS A 6 107.147 15.391 -92.972 1.00 0.00 C ATOM 87 CE1 HIS A 6 105.717 17.054 -93.233 1.00 0.00 C ATOM 88 NE2 HIS A 6 107.018 16.722 -93.309 1.00 0.00 N ATOM 0 H HIS A 6 103.548 13.503 -94.061 1.00 0.00 H new ATOM 0 HA HIS A 6 106.344 12.517 -93.991 1.00 0.00 H new ATOM 0 HB2 HIS A 6 104.595 13.537 -91.742 1.00 0.00 H new ATOM 0 HB3 HIS A 6 106.295 13.121 -91.654 1.00 0.00 H new ATOM 0 HD2 HIS A 6 108.062 14.819 -92.938 1.00 0.00 H new ATOM 0 HE1 HIS A 6 105.318 18.035 -93.446 1.00 0.00 H new ATOM 0 HE2 HIS A 6 107.779 17.348 -93.571 1.00 0.00 H new ATOM 96 N HIS A 7 104.094 10.957 -92.190 1.00 0.00 N ATOM 97 CA HIS A 7 103.549 9.652 -91.770 1.00 0.00 C ATOM 98 C HIS A 7 102.074 9.777 -91.359 1.00 0.00 C ATOM 99 O HIS A 7 101.202 9.153 -91.967 1.00 0.00 O ATOM 100 CB HIS A 7 104.380 9.063 -90.613 1.00 0.00 C ATOM 101 CG HIS A 7 105.785 8.656 -90.991 1.00 0.00 C ATOM 102 ND1 HIS A 7 106.150 7.441 -91.583 1.00 0.00 N ATOM 103 CD2 HIS A 7 106.910 9.401 -90.780 1.00 0.00 C ATOM 104 CE1 HIS A 7 107.487 7.490 -91.728 1.00 0.00 C ATOM 105 NE2 HIS A 7 107.968 8.654 -91.253 1.00 0.00 N ATOM 0 H HIS A 7 103.715 11.734 -91.648 1.00 0.00 H new ATOM 0 HA HIS A 7 103.609 8.974 -92.621 1.00 0.00 H new ATOM 0 HB2 HIS A 7 104.432 9.798 -89.810 1.00 0.00 H new ATOM 0 HB3 HIS A 7 103.858 8.193 -90.215 1.00 0.00 H new ATOM 0 HD2 HIS A 7 106.961 10.382 -90.331 1.00 0.00 H new ATOM 0 HE1 HIS A 7 108.089 6.706 -92.164 1.00 0.00 H new ATOM 0 HE2 HIS A 7 108.948 8.936 -91.244 1.00 0.00 H new ATOM 113 N HIS A 8 101.792 10.611 -90.350 1.00 0.00 N ATOM 114 CA HIS A 8 100.447 10.936 -89.850 1.00 0.00 C ATOM 115 C HIS A 8 100.433 12.313 -89.157 1.00 0.00 C ATOM 116 O HIS A 8 101.431 12.716 -88.553 1.00 0.00 O ATOM 117 CB HIS A 8 99.995 9.837 -88.871 1.00 0.00 C ATOM 118 CG HIS A 8 98.591 10.029 -88.348 1.00 0.00 C ATOM 119 ND1 HIS A 8 98.251 10.466 -87.064 1.00 0.00 N ATOM 120 CD2 HIS A 8 97.446 9.827 -89.064 1.00 0.00 C ATOM 121 CE1 HIS A 8 96.907 10.514 -87.035 1.00 0.00 C ATOM 122 NE2 HIS A 8 96.399 10.137 -88.222 1.00 0.00 N ATOM 0 H HIS A 8 102.526 11.100 -89.837 1.00 0.00 H new ATOM 0 HA HIS A 8 99.756 10.983 -90.692 1.00 0.00 H new ATOM 0 HB2 HIS A 8 100.058 8.870 -89.370 1.00 0.00 H new ATOM 0 HB3 HIS A 8 100.686 9.807 -88.029 1.00 0.00 H new ATOM 0 HD2 HIS A 8 97.375 9.491 -90.088 1.00 0.00 H new ATOM 0 HE1 HIS A 8 96.319 10.813 -86.180 1.00 0.00 H new ATOM 0 HE2 HIS A 8 95.408 10.089 -88.459 1.00 0.00 H new ATOM 130 N HIS A 9 99.298 13.020 -89.224 1.00 0.00 N ATOM 131 CA HIS A 9 99.054 14.304 -88.546 1.00 0.00 C ATOM 132 C HIS A 9 97.656 14.347 -87.906 1.00 0.00 C ATOM 133 O HIS A 9 96.707 13.753 -88.425 1.00 0.00 O ATOM 134 CB HIS A 9 99.234 15.472 -89.532 1.00 0.00 C ATOM 135 CG HIS A 9 100.672 15.738 -89.912 1.00 0.00 C ATOM 136 ND1 HIS A 9 101.615 16.381 -89.101 1.00 0.00 N ATOM 137 CD2 HIS A 9 101.254 15.436 -91.110 1.00 0.00 C ATOM 138 CE1 HIS A 9 102.744 16.443 -89.828 1.00 0.00 C ATOM 139 NE2 HIS A 9 102.555 15.887 -91.037 1.00 0.00 N ATOM 0 H HIS A 9 98.496 12.705 -89.770 1.00 0.00 H new ATOM 0 HA HIS A 9 99.786 14.404 -87.745 1.00 0.00 H new ATOM 0 HB2 HIS A 9 98.663 15.262 -90.436 1.00 0.00 H new ATOM 0 HB3 HIS A 9 98.812 16.375 -89.091 1.00 0.00 H new ATOM 0 HD2 HIS A 9 100.787 14.941 -91.949 1.00 0.00 H new ATOM 0 HE1 HIS A 9 103.672 16.878 -89.488 1.00 0.00 H new ATOM 0 HE2 HIS A 9 103.255 15.812 -91.775 1.00 0.00 H new ATOM 147 N HIS A 10 97.524 15.069 -86.787 1.00 0.00 N ATOM 148 CA HIS A 10 96.281 15.195 -86.007 1.00 0.00 C ATOM 149 C HIS A 10 96.123 16.592 -85.377 1.00 0.00 C ATOM 150 O HIS A 10 97.111 17.265 -85.067 1.00 0.00 O ATOM 151 CB HIS A 10 96.260 14.100 -84.926 1.00 0.00 C ATOM 152 CG HIS A 10 95.002 14.099 -84.090 1.00 0.00 C ATOM 153 ND1 HIS A 10 94.886 14.618 -82.796 1.00 0.00 N ATOM 154 CD2 HIS A 10 93.775 13.666 -84.505 1.00 0.00 C ATOM 155 CE1 HIS A 10 93.589 14.486 -82.462 1.00 0.00 C ATOM 156 NE2 HIS A 10 92.902 13.916 -83.468 1.00 0.00 N ATOM 0 H HIS A 10 98.299 15.597 -86.386 1.00 0.00 H new ATOM 0 HA HIS A 10 95.435 15.068 -86.683 1.00 0.00 H new ATOM 0 HB2 HIS A 10 96.369 13.127 -85.405 1.00 0.00 H new ATOM 0 HB3 HIS A 10 97.121 14.231 -84.271 1.00 0.00 H new ATOM 0 HD2 HIS A 10 93.536 13.217 -85.457 1.00 0.00 H new ATOM 0 HE1 HIS A 10 93.161 14.794 -81.520 1.00 0.00 H new ATOM 0 HE2 HIS A 10 91.904 13.705 -83.464 1.00 0.00 H new ATOM 164 N GLY A 11 94.873 17.016 -85.167 1.00 0.00 N ATOM 165 CA GLY A 11 94.505 18.245 -84.456 1.00 0.00 C ATOM 166 C GLY A 11 92.986 18.388 -84.277 1.00 0.00 C ATOM 167 O GLY A 11 92.209 17.861 -85.081 1.00 0.00 O ATOM 0 H GLY A 11 94.061 16.495 -85.499 1.00 0.00 H new ATOM 0 HA2 GLY A 11 94.985 18.253 -83.478 1.00 0.00 H new ATOM 0 HA3 GLY A 11 94.886 19.106 -85.005 1.00 0.00 H new ATOM 171 N SER A 28 92.569 19.111 -83.232 1.00 0.00 N ATOM 172 CA SER A 28 91.159 19.311 -82.847 1.00 0.00 C ATOM 173 C SER A 28 90.879 20.756 -82.411 1.00 0.00 C ATOM 174 O SER A 28 91.732 21.406 -81.801 1.00 0.00 O ATOM 175 CB SER A 28 90.766 18.365 -81.700 1.00 0.00 C ATOM 176 OG SER A 28 90.890 16.999 -82.080 1.00 0.00 O ATOM 0 H SER A 28 93.220 19.590 -82.609 1.00 0.00 H new ATOM 0 HA SER A 28 90.563 19.091 -83.733 1.00 0.00 H new ATOM 0 HB2 SER A 28 91.398 18.561 -80.834 1.00 0.00 H new ATOM 0 HB3 SER A 28 89.739 18.567 -81.397 1.00 0.00 H new ATOM 0 HG SER A 28 90.634 16.426 -81.328 1.00 0.00 H new ATOM 182 N VAL A 29 89.662 21.246 -82.688 1.00 0.00 N ATOM 183 CA VAL A 29 89.157 22.576 -82.286 1.00 0.00 C ATOM 184 C VAL A 29 87.701 22.507 -81.802 1.00 0.00 C ATOM 185 O VAL A 29 86.937 21.630 -82.216 1.00 0.00 O ATOM 186 CB VAL A 29 89.290 23.625 -83.416 1.00 0.00 C ATOM 187 CG1 VAL A 29 90.755 23.942 -83.734 1.00 0.00 C ATOM 188 CG2 VAL A 29 88.590 23.218 -84.721 1.00 0.00 C ATOM 0 H VAL A 29 88.974 20.711 -83.217 1.00 0.00 H new ATOM 0 HA VAL A 29 89.786 22.898 -81.456 1.00 0.00 H new ATOM 0 HB VAL A 29 88.791 24.511 -83.022 1.00 0.00 H new ATOM 0 HG11 VAL A 29 90.802 24.682 -84.532 1.00 0.00 H new ATOM 0 HG12 VAL A 29 91.243 24.337 -82.843 1.00 0.00 H new ATOM 0 HG13 VAL A 29 91.263 23.032 -84.053 1.00 0.00 H new ATOM 0 HG21 VAL A 29 88.726 24.002 -85.466 1.00 0.00 H new ATOM 0 HG22 VAL A 29 89.021 22.287 -85.090 1.00 0.00 H new ATOM 0 HG23 VAL A 29 87.526 23.076 -84.534 1.00 0.00 H new ATOM 198 N SER A 30 87.312 23.439 -80.928 1.00 0.00 N ATOM 199 CA SER A 30 85.937 23.607 -80.425 1.00 0.00 C ATOM 200 C SER A 30 85.665 25.072 -80.051 1.00 0.00 C ATOM 201 O SER A 30 86.575 25.781 -79.606 1.00 0.00 O ATOM 202 CB SER A 30 85.708 22.698 -79.212 1.00 0.00 C ATOM 203 OG SER A 30 84.337 22.710 -78.838 1.00 0.00 O ATOM 0 H SER A 30 87.962 24.121 -80.536 1.00 0.00 H new ATOM 0 HA SER A 30 85.244 23.325 -81.217 1.00 0.00 H new ATOM 0 HB2 SER A 30 86.019 21.680 -79.448 1.00 0.00 H new ATOM 0 HB3 SER A 30 86.323 23.033 -78.377 1.00 0.00 H new ATOM 0 HG SER A 30 84.204 22.124 -78.064 1.00 0.00 H new ATOM 209 N PHE A 31 84.422 25.530 -80.237 1.00 0.00 N ATOM 210 CA PHE A 31 84.010 26.932 -80.078 1.00 0.00 C ATOM 211 C PHE A 31 82.644 27.065 -79.376 1.00 0.00 C ATOM 212 O PHE A 31 81.761 26.215 -79.539 1.00 0.00 O ATOM 213 CB PHE A 31 83.985 27.620 -81.456 1.00 0.00 C ATOM 214 CG PHE A 31 85.292 27.537 -82.229 1.00 0.00 C ATOM 215 CD1 PHE A 31 86.369 28.381 -81.891 1.00 0.00 C ATOM 216 CD2 PHE A 31 85.441 26.599 -83.271 1.00 0.00 C ATOM 217 CE1 PHE A 31 87.587 28.284 -82.589 1.00 0.00 C ATOM 218 CE2 PHE A 31 86.659 26.506 -83.969 1.00 0.00 C ATOM 219 CZ PHE A 31 87.733 27.348 -83.627 1.00 0.00 C ATOM 0 H PHE A 31 83.652 24.919 -80.510 1.00 0.00 H new ATOM 0 HA PHE A 31 84.740 27.426 -79.436 1.00 0.00 H new ATOM 0 HB2 PHE A 31 83.194 27.172 -82.057 1.00 0.00 H new ATOM 0 HB3 PHE A 31 83.725 28.670 -81.319 1.00 0.00 H new ATOM 0 HD1 PHE A 31 86.259 29.103 -81.095 1.00 0.00 H new ATOM 0 HD2 PHE A 31 84.618 25.950 -83.534 1.00 0.00 H new ATOM 0 HE1 PHE A 31 88.411 28.930 -82.326 1.00 0.00 H new ATOM 0 HE2 PHE A 31 86.770 25.788 -84.768 1.00 0.00 H new ATOM 0 HZ PHE A 31 88.669 27.275 -84.162 1.00 0.00 H new ATOM 229 N GLY A 32 82.465 28.157 -78.621 1.00 0.00 N ATOM 230 CA GLY A 32 81.276 28.436 -77.803 1.00 0.00 C ATOM 231 C GLY A 32 81.297 27.726 -76.439 1.00 0.00 C ATOM 232 O GLY A 32 81.539 26.519 -76.354 1.00 0.00 O ATOM 0 H GLY A 32 83.166 28.895 -78.560 1.00 0.00 H new ATOM 0 HA2 GLY A 32 81.197 29.511 -77.644 1.00 0.00 H new ATOM 0 HA3 GLY A 32 80.386 28.128 -78.351 1.00 0.00 H new ATOM 236 N ALA A 33 81.049 28.486 -75.365 1.00 0.00 N ATOM 237 CA ALA A 33 81.064 28.009 -73.977 1.00 0.00 C ATOM 238 C ALA A 33 80.082 28.821 -73.090 1.00 0.00 C ATOM 239 O ALA A 33 80.518 29.667 -72.299 1.00 0.00 O ATOM 240 CB ALA A 33 82.517 28.063 -73.470 1.00 0.00 C ATOM 0 H ALA A 33 80.826 29.478 -75.440 1.00 0.00 H new ATOM 0 HA ALA A 33 80.713 26.978 -73.924 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.556 27.713 -72.438 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.144 27.425 -74.093 1.00 0.00 H new ATOM 0 HB3 ALA A 33 82.881 29.089 -73.519 1.00 0.00 H new ATOM 246 N PRO A 34 78.754 28.618 -73.233 1.00 0.00 N ATOM 247 CA PRO A 34 77.742 29.340 -72.458 1.00 0.00 C ATOM 248 C PRO A 34 77.787 28.989 -70.959 1.00 0.00 C ATOM 249 O PRO A 34 78.086 27.853 -70.574 1.00 0.00 O ATOM 250 CB PRO A 34 76.399 28.975 -73.098 1.00 0.00 C ATOM 251 CG PRO A 34 76.655 27.588 -73.686 1.00 0.00 C ATOM 252 CD PRO A 34 78.113 27.668 -74.134 1.00 0.00 C ATOM 0 HA PRO A 34 77.918 30.415 -72.488 1.00 0.00 H new ATOM 0 HB2 PRO A 34 75.594 28.958 -72.363 1.00 0.00 H new ATOM 0 HB3 PRO A 34 76.112 29.692 -73.868 1.00 0.00 H new ATOM 0 HG2 PRO A 34 76.503 26.802 -72.947 1.00 0.00 H new ATOM 0 HG3 PRO A 34 75.988 27.374 -74.521 1.00 0.00 H new ATOM 0 HD2 PRO A 34 78.593 26.691 -74.078 1.00 0.00 H new ATOM 0 HD3 PRO A 34 78.186 28.001 -75.169 1.00 0.00 H new ATOM 260 N SER A 35 77.472 29.972 -70.109 1.00 0.00 N ATOM 261 CA SER A 35 77.565 29.876 -68.638 1.00 0.00 C ATOM 262 C SER A 35 76.465 30.684 -67.907 1.00 0.00 C ATOM 263 O SER A 35 76.766 31.609 -67.141 1.00 0.00 O ATOM 264 CB SER A 35 78.990 30.256 -68.189 1.00 0.00 C ATOM 265 OG SER A 35 79.407 31.517 -68.708 1.00 0.00 O ATOM 0 H SER A 35 77.136 30.881 -70.427 1.00 0.00 H new ATOM 0 HA SER A 35 77.378 28.842 -68.349 1.00 0.00 H new ATOM 0 HB2 SER A 35 79.029 30.284 -67.100 1.00 0.00 H new ATOM 0 HB3 SER A 35 79.688 29.484 -68.514 1.00 0.00 H new ATOM 0 HG SER A 35 80.314 31.716 -68.395 1.00 0.00 H new ATOM 271 N PRO A 36 75.168 30.369 -68.127 1.00 0.00 N ATOM 272 CA PRO A 36 74.053 31.036 -67.445 1.00 0.00 C ATOM 273 C PRO A 36 74.096 30.825 -65.918 1.00 0.00 C ATOM 274 O PRO A 36 74.461 29.749 -65.435 1.00 0.00 O ATOM 275 CB PRO A 36 72.780 30.461 -68.076 1.00 0.00 C ATOM 276 CG PRO A 36 73.212 29.067 -68.533 1.00 0.00 C ATOM 277 CD PRO A 36 74.661 29.287 -68.964 1.00 0.00 C ATOM 0 HA PRO A 36 74.101 32.117 -67.572 1.00 0.00 H new ATOM 0 HB2 PRO A 36 71.961 30.413 -67.358 1.00 0.00 H new ATOM 0 HB3 PRO A 36 72.435 31.069 -68.912 1.00 0.00 H new ATOM 0 HG2 PRO A 36 73.136 28.336 -67.728 1.00 0.00 H new ATOM 0 HG3 PRO A 36 72.596 28.702 -69.355 1.00 0.00 H new ATOM 0 HD2 PRO A 36 75.250 28.380 -68.829 1.00 0.00 H new ATOM 0 HD3 PRO A 36 74.719 29.551 -70.020 1.00 0.00 H new ATOM 285 N LEU A 37 73.719 31.865 -65.162 1.00 0.00 N ATOM 286 CA LEU A 37 73.915 31.950 -63.700 1.00 0.00 C ATOM 287 C LEU A 37 72.707 32.485 -62.898 1.00 0.00 C ATOM 288 O LEU A 37 72.846 32.813 -61.717 1.00 0.00 O ATOM 289 CB LEU A 37 75.237 32.697 -63.401 1.00 0.00 C ATOM 290 CG LEU A 37 75.230 34.240 -63.487 1.00 0.00 C ATOM 291 CD1 LEU A 37 76.628 34.764 -63.157 1.00 0.00 C ATOM 292 CD2 LEU A 37 74.840 34.789 -64.862 1.00 0.00 C ATOM 0 H LEU A 37 73.260 32.688 -65.552 1.00 0.00 H new ATOM 0 HA LEU A 37 73.995 30.927 -63.332 1.00 0.00 H new ATOM 0 HB2 LEU A 37 75.559 32.419 -62.397 1.00 0.00 H new ATOM 0 HB3 LEU A 37 75.994 32.327 -64.092 1.00 0.00 H new ATOM 0 HG LEU A 37 74.476 34.577 -62.776 1.00 0.00 H new ATOM 0 HD11 LEU A 37 76.632 35.852 -63.215 1.00 0.00 H new ATOM 0 HD12 LEU A 37 76.904 34.454 -62.149 1.00 0.00 H new ATOM 0 HD13 LEU A 37 77.346 34.360 -63.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 74.860 35.879 -64.838 1.00 0.00 H new ATOM 0 HD22 LEU A 37 75.546 34.430 -65.611 1.00 0.00 H new ATOM 0 HD23 LEU A 37 73.836 34.450 -65.118 1.00 0.00 H new ATOM 304 N SER A 38 71.525 32.577 -63.520 1.00 0.00 N ATOM 305 CA SER A 38 70.279 33.041 -62.887 1.00 0.00 C ATOM 306 C SER A 38 69.045 32.322 -63.444 1.00 0.00 C ATOM 307 O SER A 38 68.978 32.006 -64.637 1.00 0.00 O ATOM 308 CB SER A 38 70.126 34.556 -63.080 1.00 0.00 C ATOM 309 OG SER A 38 68.953 35.032 -62.432 1.00 0.00 O ATOM 0 H SER A 38 71.403 32.325 -64.501 1.00 0.00 H new ATOM 0 HA SER A 38 70.347 32.806 -61.825 1.00 0.00 H new ATOM 0 HB2 SER A 38 71.001 35.068 -62.680 1.00 0.00 H new ATOM 0 HB3 SER A 38 70.079 34.789 -64.144 1.00 0.00 H new ATOM 0 HG SER A 38 68.875 36.000 -62.566 1.00 0.00 H new ATOM 315 N SER A 39 68.058 32.086 -62.578 1.00 0.00 N ATOM 316 CA SER A 39 66.717 31.580 -62.914 1.00 0.00 C ATOM 317 C SER A 39 65.620 32.266 -62.065 1.00 0.00 C ATOM 318 O SER A 39 64.504 31.762 -61.909 1.00 0.00 O ATOM 319 CB SER A 39 66.694 30.050 -62.771 1.00 0.00 C ATOM 320 OG SER A 39 65.678 29.471 -63.580 1.00 0.00 O ATOM 0 H SER A 39 68.172 32.248 -61.577 1.00 0.00 H new ATOM 0 HA SER A 39 66.494 31.829 -63.952 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.664 29.641 -63.054 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.528 29.783 -61.728 1.00 0.00 H new ATOM 0 HG SER A 39 65.688 28.497 -63.470 1.00 0.00 H new ATOM 326 N GLU A 40 65.943 33.426 -61.483 1.00 0.00 N ATOM 327 CA GLU A 40 65.158 34.118 -60.452 1.00 0.00 C ATOM 328 C GLU A 40 64.419 35.356 -61.000 1.00 0.00 C ATOM 329 O GLU A 40 64.861 35.995 -61.962 1.00 0.00 O ATOM 330 CB GLU A 40 66.074 34.507 -59.274 1.00 0.00 C ATOM 331 CG GLU A 40 66.532 33.325 -58.403 1.00 0.00 C ATOM 332 CD GLU A 40 67.408 32.291 -59.148 1.00 0.00 C ATOM 333 OE1 GLU A 40 68.455 32.661 -59.734 1.00 0.00 O ATOM 334 OE2 GLU A 40 67.059 31.084 -59.142 1.00 0.00 O ATOM 0 H GLU A 40 66.795 33.931 -61.727 1.00 0.00 H new ATOM 0 HA GLU A 40 64.390 33.427 -60.105 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.955 35.014 -59.668 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.548 35.224 -58.643 1.00 0.00 H new ATOM 0 HG2 GLU A 40 67.091 33.711 -57.551 1.00 0.00 H new ATOM 0 HG3 GLU A 40 65.652 32.819 -58.005 1.00 0.00 H new ATOM 341 N SER A 41 63.302 35.712 -60.358 1.00 0.00 N ATOM 342 CA SER A 41 62.449 36.864 -60.692 1.00 0.00 C ATOM 343 C SER A 41 62.015 37.608 -59.414 1.00 0.00 C ATOM 344 O SER A 41 60.829 37.791 -59.132 1.00 0.00 O ATOM 345 CB SER A 41 61.274 36.397 -61.564 1.00 0.00 C ATOM 346 OG SER A 41 60.665 37.500 -62.226 1.00 0.00 O ATOM 0 H SER A 41 62.950 35.186 -59.558 1.00 0.00 H new ATOM 0 HA SER A 41 63.011 37.590 -61.279 1.00 0.00 H new ATOM 0 HB2 SER A 41 61.627 35.675 -62.300 1.00 0.00 H new ATOM 0 HB3 SER A 41 60.536 35.887 -60.945 1.00 0.00 H new ATOM 0 HG SER A 41 59.920 37.180 -62.777 1.00 0.00 H new ATOM 352 N GLU A 42 63.009 37.982 -58.592 1.00 0.00 N ATOM 353 CA GLU A 42 62.854 38.604 -57.257 1.00 0.00 C ATOM 354 C GLU A 42 62.050 37.762 -56.235 1.00 0.00 C ATOM 355 O GLU A 42 61.669 38.249 -55.169 1.00 0.00 O ATOM 356 CB GLU A 42 62.351 40.060 -57.372 1.00 0.00 C ATOM 357 CG GLU A 42 63.252 40.942 -58.246 1.00 0.00 C ATOM 358 CD GLU A 42 62.756 42.401 -58.244 1.00 0.00 C ATOM 359 OE1 GLU A 42 61.914 42.767 -59.102 1.00 0.00 O ATOM 360 OE2 GLU A 42 63.210 43.202 -57.389 1.00 0.00 O ATOM 0 H GLU A 42 63.989 37.855 -58.847 1.00 0.00 H new ATOM 0 HA GLU A 42 63.856 38.632 -56.829 1.00 0.00 H new ATOM 0 HB2 GLU A 42 61.343 40.058 -57.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 62.285 40.495 -56.375 1.00 0.00 H new ATOM 0 HG2 GLU A 42 64.277 40.901 -57.877 1.00 0.00 H new ATOM 0 HG3 GLU A 42 63.265 40.559 -59.266 1.00 0.00 H new ATOM 367 N ASP A 43 61.829 36.476 -56.527 1.00 0.00 N ATOM 368 CA ASP A 43 60.983 35.549 -55.761 1.00 0.00 C ATOM 369 C ASP A 43 61.652 34.937 -54.514 1.00 0.00 C ATOM 370 O ASP A 43 60.974 34.395 -53.638 1.00 0.00 O ATOM 371 CB ASP A 43 60.464 34.463 -56.717 1.00 0.00 C ATOM 372 CG ASP A 43 61.600 33.616 -57.323 1.00 0.00 C ATOM 373 OD1 ASP A 43 62.357 34.148 -58.171 1.00 0.00 O ATOM 374 OD2 ASP A 43 61.721 32.419 -56.965 1.00 0.00 O ATOM 0 H ASP A 43 62.254 36.031 -57.341 1.00 0.00 H new ATOM 0 HA ASP A 43 60.157 36.130 -55.350 1.00 0.00 H new ATOM 0 HB2 ASP A 43 59.776 33.810 -56.180 1.00 0.00 H new ATOM 0 HB3 ASP A 43 59.897 34.932 -57.521 1.00 0.00 H new ATOM 379 N GLU A 44 62.979 35.062 -54.415 1.00 0.00 N ATOM 380 CA GLU A 44 63.802 34.606 -53.278 1.00 0.00 C ATOM 381 C GLU A 44 64.783 35.691 -52.766 1.00 0.00 C ATOM 382 O GLU A 44 65.550 35.467 -51.829 1.00 0.00 O ATOM 383 CB GLU A 44 64.509 33.296 -53.692 1.00 0.00 C ATOM 384 CG GLU A 44 64.989 32.441 -52.511 1.00 0.00 C ATOM 385 CD GLU A 44 65.475 31.061 -52.993 1.00 0.00 C ATOM 386 OE1 GLU A 44 66.650 30.937 -53.420 1.00 0.00 O ATOM 387 OE2 GLU A 44 64.693 30.080 -52.935 1.00 0.00 O ATOM 0 H GLU A 44 63.535 35.499 -55.149 1.00 0.00 H new ATOM 0 HA GLU A 44 63.157 34.411 -52.421 1.00 0.00 H new ATOM 0 HB2 GLU A 44 63.826 32.704 -54.301 1.00 0.00 H new ATOM 0 HB3 GLU A 44 65.365 33.541 -54.321 1.00 0.00 H new ATOM 0 HG2 GLU A 44 65.797 32.954 -51.990 1.00 0.00 H new ATOM 0 HG3 GLU A 44 64.177 32.315 -51.794 1.00 0.00 H new ATOM 394 N ILE A 45 64.753 36.894 -53.358 1.00 0.00 N ATOM 395 CA ILE A 45 65.734 37.972 -53.126 1.00 0.00 C ATOM 396 C ILE A 45 65.253 38.895 -51.986 1.00 0.00 C ATOM 397 O ILE A 45 64.998 40.087 -52.169 1.00 0.00 O ATOM 398 CB ILE A 45 66.098 38.692 -54.453 1.00 0.00 C ATOM 399 CG1 ILE A 45 66.354 37.726 -55.641 1.00 0.00 C ATOM 400 CG2 ILE A 45 67.334 39.594 -54.267 1.00 0.00 C ATOM 401 CD1 ILE A 45 67.462 36.681 -55.437 1.00 0.00 C ATOM 0 H ILE A 45 64.029 37.154 -54.028 1.00 0.00 H new ATOM 0 HA ILE A 45 66.677 37.551 -52.779 1.00 0.00 H new ATOM 0 HB ILE A 45 65.222 39.291 -54.704 1.00 0.00 H new ATOM 0 HG12 ILE A 45 65.425 37.201 -55.863 1.00 0.00 H new ATOM 0 HG13 ILE A 45 66.602 38.321 -56.520 1.00 0.00 H new ATOM 0 HG21 ILE A 45 67.569 40.088 -55.210 1.00 0.00 H new ATOM 0 HG22 ILE A 45 67.124 40.346 -53.506 1.00 0.00 H new ATOM 0 HG23 ILE A 45 68.183 38.987 -53.953 1.00 0.00 H new ATOM 0 HD11 ILE A 45 67.550 36.064 -56.331 1.00 0.00 H new ATOM 0 HD12 ILE A 45 68.409 37.187 -55.251 1.00 0.00 H new ATOM 0 HD13 ILE A 45 67.214 36.050 -54.584 1.00 0.00 H new ATOM 413 N ASN A 46 65.076 38.307 -50.798 1.00 0.00 N ATOM 414 CA ASN A 46 64.645 38.982 -49.569 1.00 0.00 C ATOM 415 C ASN A 46 65.357 38.363 -48.346 1.00 0.00 C ATOM 416 O ASN A 46 65.077 37.223 -47.965 1.00 0.00 O ATOM 417 CB ASN A 46 63.108 38.879 -49.473 1.00 0.00 C ATOM 418 CG ASN A 46 62.515 39.622 -48.283 1.00 0.00 C ATOM 419 OD1 ASN A 46 63.181 40.347 -47.555 1.00 0.00 O ATOM 420 ND2 ASN A 46 61.229 39.477 -48.054 1.00 0.00 N ATOM 0 H ASN A 46 65.235 37.309 -50.661 1.00 0.00 H new ATOM 0 HA ASN A 46 64.919 40.037 -49.587 1.00 0.00 H new ATOM 0 HB2 ASN A 46 62.669 39.272 -50.390 1.00 0.00 H new ATOM 0 HB3 ASN A 46 62.827 37.828 -49.410 1.00 0.00 H new ATOM 0 HD21 ASN A 46 60.792 39.967 -47.274 1.00 0.00 H new ATOM 0 HD22 ASN A 46 60.668 38.875 -48.657 1.00 0.00 H new ATOM 427 N TYR A 47 66.304 39.105 -47.762 1.00 0.00 N ATOM 428 CA TYR A 47 67.170 38.664 -46.658 1.00 0.00 C ATOM 429 C TYR A 47 67.667 39.849 -45.802 1.00 0.00 C ATOM 430 O TYR A 47 67.538 41.011 -46.195 1.00 0.00 O ATOM 431 CB TYR A 47 68.351 37.853 -47.232 1.00 0.00 C ATOM 432 CG TYR A 47 69.285 38.620 -48.156 1.00 0.00 C ATOM 433 CD1 TYR A 47 68.981 38.739 -49.529 1.00 0.00 C ATOM 434 CD2 TYR A 47 70.462 39.202 -47.647 1.00 0.00 C ATOM 435 CE1 TYR A 47 69.842 39.455 -50.384 1.00 0.00 C ATOM 436 CE2 TYR A 47 71.326 39.918 -48.498 1.00 0.00 C ATOM 437 CZ TYR A 47 71.016 40.049 -49.872 1.00 0.00 C ATOM 438 OH TYR A 47 71.844 40.738 -50.707 1.00 0.00 O ATOM 0 H TYR A 47 66.497 40.063 -48.054 1.00 0.00 H new ATOM 0 HA TYR A 47 66.586 38.029 -45.992 1.00 0.00 H new ATOM 0 HB2 TYR A 47 68.935 37.457 -46.401 1.00 0.00 H new ATOM 0 HB3 TYR A 47 67.951 36.998 -47.777 1.00 0.00 H new ATOM 0 HD1 TYR A 47 68.087 38.280 -49.925 1.00 0.00 H new ATOM 0 HD2 TYR A 47 70.703 39.099 -46.599 1.00 0.00 H new ATOM 0 HE1 TYR A 47 69.603 39.550 -51.433 1.00 0.00 H new ATOM 0 HE2 TYR A 47 72.225 40.367 -48.102 1.00 0.00 H new ATOM 0 HH TYR A 47 72.606 41.085 -50.198 1.00 0.00 H new ATOM 448 N MET A 48 68.255 39.548 -44.632 1.00 0.00 N ATOM 449 CA MET A 48 68.758 40.530 -43.650 1.00 0.00 C ATOM 450 C MET A 48 67.668 41.513 -43.161 1.00 0.00 C ATOM 451 O MET A 48 67.851 42.732 -43.135 1.00 0.00 O ATOM 452 CB MET A 48 70.052 41.186 -44.174 1.00 0.00 C ATOM 453 CG MET A 48 70.907 41.802 -43.056 1.00 0.00 C ATOM 454 SD MET A 48 72.404 42.665 -43.621 1.00 0.00 S ATOM 455 CE MET A 48 73.380 41.280 -44.274 1.00 0.00 C ATOM 0 H MET A 48 68.399 38.584 -44.332 1.00 0.00 H new ATOM 0 HA MET A 48 69.032 40.004 -42.735 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.642 40.439 -44.706 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.794 41.961 -44.895 1.00 0.00 H new ATOM 0 HG2 MET A 48 70.292 42.504 -42.493 1.00 0.00 H new ATOM 0 HG3 MET A 48 71.200 41.011 -42.366 1.00 0.00 H new ATOM 0 HE1 MET A 48 74.382 41.628 -44.527 1.00 0.00 H new ATOM 0 HE2 MET A 48 73.448 40.495 -43.520 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.897 40.884 -45.168 1.00 0.00 H new ATOM 465 N THR A 49 66.513 40.959 -42.768 1.00 0.00 N ATOM 466 CA THR A 49 65.317 41.689 -42.291 1.00 0.00 C ATOM 467 C THR A 49 64.812 41.194 -40.912 1.00 0.00 C ATOM 468 O THR A 49 63.644 40.807 -40.778 1.00 0.00 O ATOM 469 CB THR A 49 64.206 41.664 -43.367 1.00 0.00 C ATOM 470 OG1 THR A 49 64.014 40.351 -43.876 1.00 0.00 O ATOM 471 CG2 THR A 49 64.544 42.573 -44.550 1.00 0.00 C ATOM 0 H THR A 49 66.375 39.948 -42.772 1.00 0.00 H new ATOM 0 HA THR A 49 65.612 42.726 -42.131 1.00 0.00 H new ATOM 0 HB THR A 49 63.299 42.017 -42.876 1.00 0.00 H new ATOM 0 HG1 THR A 49 63.305 40.363 -44.553 1.00 0.00 H new ATOM 0 HG21 THR A 49 63.740 42.528 -45.284 1.00 0.00 H new ATOM 0 HG22 THR A 49 64.659 43.599 -44.200 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.474 42.240 -45.010 1.00 0.00 H new ATOM 479 N PRO A 50 65.662 41.175 -39.859 1.00 0.00 N ATOM 480 CA PRO A 50 65.260 40.754 -38.511 1.00 0.00 C ATOM 481 C PRO A 50 64.256 41.733 -37.854 1.00 0.00 C ATOM 482 O PRO A 50 64.242 42.924 -38.193 1.00 0.00 O ATOM 483 CB PRO A 50 66.565 40.670 -37.711 1.00 0.00 C ATOM 484 CG PRO A 50 67.435 41.745 -38.361 1.00 0.00 C ATOM 485 CD PRO A 50 67.045 41.640 -39.835 1.00 0.00 C ATOM 0 HA PRO A 50 64.734 39.800 -38.542 1.00 0.00 H new ATOM 0 HB2 PRO A 50 66.403 40.868 -36.652 1.00 0.00 H new ATOM 0 HB3 PRO A 50 67.021 39.683 -37.784 1.00 0.00 H new ATOM 0 HG2 PRO A 50 67.227 42.735 -37.956 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.497 41.555 -38.208 1.00 0.00 H new ATOM 0 HD2 PRO A 50 67.140 42.605 -40.332 1.00 0.00 H new ATOM 0 HD3 PRO A 50 67.699 40.945 -40.362 1.00 0.00 H new ATOM 493 N PRO A 51 63.430 41.268 -36.894 1.00 0.00 N ATOM 494 CA PRO A 51 62.475 42.112 -36.174 1.00 0.00 C ATOM 495 C PRO A 51 63.158 43.061 -35.171 1.00 0.00 C ATOM 496 O PRO A 51 64.208 42.747 -34.605 1.00 0.00 O ATOM 497 CB PRO A 51 61.528 41.136 -35.471 1.00 0.00 C ATOM 498 CG PRO A 51 62.416 39.921 -35.202 1.00 0.00 C ATOM 499 CD PRO A 51 63.331 39.889 -36.428 1.00 0.00 C ATOM 0 HA PRO A 51 61.946 42.775 -36.859 1.00 0.00 H new ATOM 0 HB2 PRO A 51 61.130 41.556 -34.547 1.00 0.00 H new ATOM 0 HB3 PRO A 51 60.675 40.880 -36.099 1.00 0.00 H new ATOM 0 HG2 PRO A 51 62.983 40.031 -34.278 1.00 0.00 H new ATOM 0 HG3 PRO A 51 61.831 39.006 -35.110 1.00 0.00 H new ATOM 0 HD2 PRO A 51 64.313 39.493 -36.171 1.00 0.00 H new ATOM 0 HD3 PRO A 51 62.920 39.244 -37.204 1.00 0.00 H new ATOM 507 N GLU A 52 62.528 44.212 -34.910 1.00 0.00 N ATOM 508 CA GLU A 52 63.035 45.234 -33.971 1.00 0.00 C ATOM 509 C GLU A 52 62.440 45.152 -32.551 1.00 0.00 C ATOM 510 O GLU A 52 63.027 45.683 -31.605 1.00 0.00 O ATOM 511 CB GLU A 52 62.863 46.635 -34.586 1.00 0.00 C ATOM 512 CG GLU A 52 61.400 47.074 -34.755 1.00 0.00 C ATOM 513 CD GLU A 52 61.320 48.471 -35.399 1.00 0.00 C ATOM 514 OE1 GLU A 52 61.357 49.490 -34.664 1.00 0.00 O ATOM 515 OE2 GLU A 52 61.212 48.567 -36.648 1.00 0.00 O ATOM 0 H GLU A 52 61.642 44.468 -35.346 1.00 0.00 H new ATOM 0 HA GLU A 52 64.095 45.026 -33.827 1.00 0.00 H new ATOM 0 HB2 GLU A 52 63.378 47.361 -33.957 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.351 46.654 -35.560 1.00 0.00 H new ATOM 0 HG2 GLU A 52 60.868 46.352 -35.374 1.00 0.00 H new ATOM 0 HG3 GLU A 52 60.905 47.087 -33.784 1.00 0.00 H new ATOM 522 N GLN A 53 61.283 44.495 -32.395 1.00 0.00 N ATOM 523 CA GLN A 53 60.530 44.400 -31.130 1.00 0.00 C ATOM 524 C GLN A 53 59.732 43.077 -31.025 1.00 0.00 C ATOM 525 O GLN A 53 58.598 43.038 -30.544 1.00 0.00 O ATOM 526 CB GLN A 53 59.661 45.668 -30.977 1.00 0.00 C ATOM 527 CG GLN A 53 59.296 45.978 -29.515 1.00 0.00 C ATOM 528 CD GLN A 53 58.479 47.264 -29.398 1.00 0.00 C ATOM 529 OE1 GLN A 53 57.258 47.255 -29.296 1.00 0.00 O ATOM 530 NE2 GLN A 53 59.108 48.424 -29.417 1.00 0.00 N ATOM 0 H GLN A 53 60.830 44.001 -33.164 1.00 0.00 H new ATOM 0 HA GLN A 53 61.222 44.362 -30.288 1.00 0.00 H new ATOM 0 HB2 GLN A 53 60.194 46.519 -31.400 1.00 0.00 H new ATOM 0 HB3 GLN A 53 58.745 45.545 -31.555 1.00 0.00 H new ATOM 0 HG2 GLN A 53 58.728 45.147 -29.097 1.00 0.00 H new ATOM 0 HG3 GLN A 53 60.207 46.070 -28.924 1.00 0.00 H new ATOM 0 HE21 GLN A 53 60.124 48.452 -29.501 1.00 0.00 H new ATOM 0 HE22 GLN A 53 58.578 49.293 -29.347 1.00 0.00 H new ATOM 539 N GLU A 54 60.308 41.977 -31.523 1.00 0.00 N ATOM 540 CA GLU A 54 59.705 40.637 -31.552 1.00 0.00 C ATOM 541 C GLU A 54 60.776 39.538 -31.348 1.00 0.00 C ATOM 542 O GLU A 54 61.964 39.833 -31.193 1.00 0.00 O ATOM 543 CB GLU A 54 58.941 40.469 -32.885 1.00 0.00 C ATOM 544 CG GLU A 54 57.650 39.663 -32.712 1.00 0.00 C ATOM 545 CD GLU A 54 56.898 39.527 -34.052 1.00 0.00 C ATOM 546 OE1 GLU A 54 57.156 38.553 -34.800 1.00 0.00 O ATOM 547 OE2 GLU A 54 56.034 40.384 -34.362 1.00 0.00 O ATOM 0 H GLU A 54 61.242 41.995 -31.933 1.00 0.00 H new ATOM 0 HA GLU A 54 59.000 40.529 -30.728 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.702 41.452 -33.292 1.00 0.00 H new ATOM 0 HB3 GLU A 54 59.584 39.971 -33.611 1.00 0.00 H new ATOM 0 HG2 GLU A 54 57.885 38.673 -32.321 1.00 0.00 H new ATOM 0 HG3 GLU A 54 57.008 40.151 -31.979 1.00 0.00 H new ATOM 554 N ALA A 55 60.353 38.267 -31.344 1.00 0.00 N ATOM 555 CA ALA A 55 61.197 37.076 -31.155 1.00 0.00 C ATOM 556 C ALA A 55 62.005 37.061 -29.830 1.00 0.00 C ATOM 557 O ALA A 55 63.120 36.536 -29.766 1.00 0.00 O ATOM 558 CB ALA A 55 62.022 36.826 -32.429 1.00 0.00 C ATOM 0 H ALA A 55 59.370 38.029 -31.478 1.00 0.00 H new ATOM 0 HA ALA A 55 60.543 36.215 -31.016 1.00 0.00 H new ATOM 0 HB1 ALA A 55 62.647 35.944 -32.290 1.00 0.00 H new ATOM 0 HB2 ALA A 55 61.350 36.665 -33.272 1.00 0.00 H new ATOM 0 HB3 ALA A 55 62.654 37.691 -32.629 1.00 0.00 H new ATOM 564 N GLN A 56 61.427 37.631 -28.763 1.00 0.00 N ATOM 565 CA GLN A 56 61.985 37.658 -27.402 1.00 0.00 C ATOM 566 C GLN A 56 60.830 37.610 -26.372 1.00 0.00 C ATOM 567 O GLN A 56 60.465 38.638 -25.794 1.00 0.00 O ATOM 568 CB GLN A 56 62.896 38.896 -27.256 1.00 0.00 C ATOM 569 CG GLN A 56 63.702 38.880 -25.946 1.00 0.00 C ATOM 570 CD GLN A 56 64.578 40.125 -25.806 1.00 0.00 C ATOM 571 OE1 GLN A 56 64.174 41.142 -25.255 1.00 0.00 O ATOM 572 NE2 GLN A 56 65.799 40.105 -26.300 1.00 0.00 N ATOM 0 H GLN A 56 60.525 38.103 -28.826 1.00 0.00 H new ATOM 0 HA GLN A 56 62.607 36.784 -27.210 1.00 0.00 H new ATOM 0 HB2 GLN A 56 63.583 38.940 -28.101 1.00 0.00 H new ATOM 0 HB3 GLN A 56 62.286 39.799 -27.293 1.00 0.00 H new ATOM 0 HG2 GLN A 56 63.019 38.819 -25.099 1.00 0.00 H new ATOM 0 HG3 GLN A 56 64.329 37.989 -25.915 1.00 0.00 H new ATOM 0 HE21 GLN A 56 66.149 39.265 -26.761 1.00 0.00 H new ATOM 0 HE22 GLN A 56 66.395 40.929 -26.221 1.00 0.00 H new ATOM 581 N PRO A 57 60.193 36.436 -26.177 1.00 0.00 N ATOM 582 CA PRO A 57 58.958 36.288 -25.397 1.00 0.00 C ATOM 583 C PRO A 57 59.241 36.184 -23.881 1.00 0.00 C ATOM 584 O PRO A 57 58.945 35.176 -23.229 1.00 0.00 O ATOM 585 CB PRO A 57 58.278 35.067 -26.023 1.00 0.00 C ATOM 586 CG PRO A 57 59.462 34.163 -26.363 1.00 0.00 C ATOM 587 CD PRO A 57 60.516 35.168 -26.828 1.00 0.00 C ATOM 0 HA PRO A 57 58.299 37.155 -25.443 1.00 0.00 H new ATOM 0 HB2 PRO A 57 57.588 34.587 -25.329 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.704 35.333 -26.910 1.00 0.00 H new ATOM 0 HG2 PRO A 57 59.799 33.591 -25.498 1.00 0.00 H new ATOM 0 HG3 PRO A 57 59.214 33.444 -27.143 1.00 0.00 H new ATOM 0 HD2 PRO A 57 61.517 34.835 -26.555 1.00 0.00 H new ATOM 0 HD3 PRO A 57 60.500 35.273 -27.913 1.00 0.00 H new ATOM 595 N GLY A 58 59.850 37.234 -23.320 1.00 0.00 N ATOM 596 CA GLY A 58 60.405 37.261 -21.960 1.00 0.00 C ATOM 597 C GLY A 58 61.763 36.549 -21.836 1.00 0.00 C ATOM 598 O GLY A 58 62.250 35.928 -22.786 1.00 0.00 O ATOM 0 H GLY A 58 59.975 38.117 -23.815 1.00 0.00 H new ATOM 0 HA2 GLY A 58 60.517 38.298 -21.643 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.695 36.794 -21.277 1.00 0.00 H new ATOM 602 N ALA A 59 62.388 36.661 -20.659 1.00 0.00 N ATOM 603 CA ALA A 59 63.691 36.060 -20.352 1.00 0.00 C ATOM 604 C ALA A 59 63.821 35.674 -18.863 1.00 0.00 C ATOM 605 O ALA A 59 63.510 36.473 -17.976 1.00 0.00 O ATOM 606 CB ALA A 59 64.792 37.050 -20.760 1.00 0.00 C ATOM 0 H ALA A 59 61.994 37.183 -19.876 1.00 0.00 H new ATOM 0 HA ALA A 59 63.791 35.133 -20.917 1.00 0.00 H new ATOM 0 HB1 ALA A 59 65.769 36.619 -20.539 1.00 0.00 H new ATOM 0 HB2 ALA A 59 64.719 37.255 -21.828 1.00 0.00 H new ATOM 0 HB3 ALA A 59 64.670 37.979 -20.203 1.00 0.00 H new ATOM 612 N LEU A 60 64.307 34.454 -18.600 1.00 0.00 N ATOM 613 CA LEU A 60 64.600 33.901 -17.267 1.00 0.00 C ATOM 614 C LEU A 60 66.045 33.363 -17.214 1.00 0.00 C ATOM 615 O LEU A 60 66.596 32.950 -18.238 1.00 0.00 O ATOM 616 CB LEU A 60 63.609 32.762 -16.920 1.00 0.00 C ATOM 617 CG LEU A 60 62.144 33.099 -16.561 1.00 0.00 C ATOM 618 CD1 LEU A 60 62.033 34.157 -15.463 1.00 0.00 C ATOM 619 CD2 LEU A 60 61.286 33.523 -17.754 1.00 0.00 C ATOM 0 H LEU A 60 64.518 33.792 -19.346 1.00 0.00 H new ATOM 0 HA LEU A 60 64.489 34.702 -16.536 1.00 0.00 H new ATOM 0 HB2 LEU A 60 63.586 32.081 -17.771 1.00 0.00 H new ATOM 0 HB3 LEU A 60 64.030 32.210 -16.080 1.00 0.00 H new ATOM 0 HG LEU A 60 61.748 32.153 -16.191 1.00 0.00 H new ATOM 0 HD11 LEU A 60 60.982 34.354 -15.252 1.00 0.00 H new ATOM 0 HD12 LEU A 60 62.523 33.796 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 60 62.515 35.077 -15.794 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.273 33.741 -17.415 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.715 34.414 -18.212 1.00 0.00 H new ATOM 0 HD23 LEU A 60 61.257 32.716 -18.486 1.00 0.00 H new ATOM 631 N ALA A 61 66.643 33.329 -16.018 1.00 0.00 N ATOM 632 CA ALA A 61 67.950 32.723 -15.763 1.00 0.00 C ATOM 633 C ALA A 61 68.021 31.987 -14.411 1.00 0.00 C ATOM 634 O ALA A 61 67.456 32.443 -13.413 1.00 0.00 O ATOM 635 CB ALA A 61 69.037 33.801 -15.846 1.00 0.00 C ATOM 0 H ALA A 61 66.220 33.732 -15.182 1.00 0.00 H new ATOM 0 HA ALA A 61 68.114 31.966 -16.530 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.011 33.351 -15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.031 34.248 -16.840 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.842 34.572 -15.101 1.00 0.00 H new ATOM 641 N ALA A 62 68.764 30.879 -14.372 1.00 0.00 N ATOM 642 CA ALA A 62 69.186 30.191 -13.153 1.00 0.00 C ATOM 643 C ALA A 62 70.557 30.703 -12.661 1.00 0.00 C ATOM 644 O ALA A 62 71.360 31.226 -13.440 1.00 0.00 O ATOM 645 CB ALA A 62 69.178 28.678 -13.400 1.00 0.00 C ATOM 0 H ALA A 62 69.100 30.421 -15.219 1.00 0.00 H new ATOM 0 HA ALA A 62 68.481 30.410 -12.351 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.492 28.160 -12.494 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.171 28.359 -13.670 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.865 28.438 -14.212 1.00 0.00 H new ATOM 651 N LEU A 63 70.821 30.549 -11.357 1.00 0.00 N ATOM 652 CA LEU A 63 72.010 31.074 -10.668 1.00 0.00 C ATOM 653 C LEU A 63 72.683 30.016 -9.776 1.00 0.00 C ATOM 654 O LEU A 63 72.032 29.081 -9.301 1.00 0.00 O ATOM 655 CB LEU A 63 71.615 32.283 -9.794 1.00 0.00 C ATOM 656 CG LEU A 63 70.958 33.469 -10.522 1.00 0.00 C ATOM 657 CD1 LEU A 63 70.585 34.541 -9.497 1.00 0.00 C ATOM 658 CD2 LEU A 63 71.892 34.112 -11.544 1.00 0.00 C ATOM 0 H LEU A 63 70.195 30.041 -10.732 1.00 0.00 H new ATOM 0 HA LEU A 63 72.722 31.371 -11.438 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.930 31.936 -9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.510 32.646 -9.289 1.00 0.00 H new ATOM 0 HG LEU A 63 70.083 33.082 -11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.119 35.385 -10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 63 69.886 34.124 -8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 63 71.484 34.880 -8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.382 34.943 -12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 63 72.786 34.480 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.176 33.373 -12.293 1.00 0.00 H new ATOM 670 N HIS A 64 73.969 30.219 -9.477 1.00 0.00 N ATOM 671 CA HIS A 64 74.671 29.543 -8.379 1.00 0.00 C ATOM 672 C HIS A 64 74.448 30.305 -7.063 1.00 0.00 C ATOM 673 O HIS A 64 74.429 31.537 -7.057 1.00 0.00 O ATOM 674 CB HIS A 64 76.161 29.436 -8.718 1.00 0.00 C ATOM 675 CG HIS A 64 76.483 28.447 -9.806 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.441 27.056 -9.669 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.920 28.762 -11.060 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.860 26.564 -10.846 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.155 27.562 -11.696 1.00 0.00 N ATOM 0 H HIS A 64 74.561 30.866 -9.997 1.00 0.00 H new ATOM 0 HA HIS A 64 74.274 28.536 -8.251 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.524 30.419 -9.019 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.707 29.156 -7.817 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.055 29.752 -11.471 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.948 25.513 -11.077 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.495 27.450 -12.651 1.00 0.00 H new ATOM 687 N ALA A 65 74.294 29.590 -5.946 1.00 0.00 N ATOM 688 CA ALA A 65 73.902 30.174 -4.654 1.00 0.00 C ATOM 689 C ALA A 65 75.060 30.357 -3.646 1.00 0.00 C ATOM 690 O ALA A 65 74.881 31.016 -2.620 1.00 0.00 O ATOM 691 CB ALA A 65 72.779 29.303 -4.076 1.00 0.00 C ATOM 0 H ALA A 65 74.438 28.581 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 65 73.561 31.193 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.463 29.708 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.933 29.297 -4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.142 28.285 -3.939 1.00 0.00 H new ATOM 697 N GLU A 66 76.237 29.778 -3.911 1.00 0.00 N ATOM 698 CA GLU A 66 77.379 29.736 -2.980 1.00 0.00 C ATOM 699 C GLU A 66 78.746 29.728 -3.696 1.00 0.00 C ATOM 700 O GLU A 66 78.833 29.516 -4.910 1.00 0.00 O ATOM 701 CB GLU A 66 77.232 28.525 -2.036 1.00 0.00 C ATOM 702 CG GLU A 66 77.285 27.161 -2.740 1.00 0.00 C ATOM 703 CD GLU A 66 77.125 26.018 -1.721 1.00 0.00 C ATOM 704 OE1 GLU A 66 78.146 25.554 -1.154 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.977 25.567 -1.477 1.00 0.00 O ATOM 0 H GLU A 66 76.430 29.314 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 66 77.360 30.656 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.024 28.565 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.285 28.608 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.495 27.101 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 66 78.233 27.055 -3.268 1.00 0.00 H new ATOM 712 N GLY A 67 79.824 29.958 -2.935 1.00 0.00 N ATOM 713 CA GLY A 67 81.202 29.980 -3.445 1.00 0.00 C ATOM 714 C GLY A 67 81.515 31.193 -4.343 1.00 0.00 C ATOM 715 O GLY A 67 80.782 32.188 -4.319 1.00 0.00 O ATOM 0 H GLY A 67 79.763 30.137 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.892 29.977 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.385 29.066 -4.009 1.00 0.00 H new ATOM 719 N PRO A 68 82.582 31.131 -5.166 1.00 0.00 N ATOM 720 CA PRO A 68 82.997 32.245 -6.029 1.00 0.00 C ATOM 721 C PRO A 68 81.998 32.552 -7.162 1.00 0.00 C ATOM 722 O PRO A 68 82.046 33.638 -7.743 1.00 0.00 O ATOM 723 CB PRO A 68 84.373 31.838 -6.570 1.00 0.00 C ATOM 724 CG PRO A 68 84.322 30.311 -6.566 1.00 0.00 C ATOM 725 CD PRO A 68 83.500 30.007 -5.316 1.00 0.00 C ATOM 0 HA PRO A 68 83.035 33.176 -5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.542 32.231 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.179 32.214 -5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.850 29.919 -7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.318 29.873 -6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.956 29.069 -5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.141 29.905 -4.440 1.00 0.00 H new ATOM 733 N LEU A 69 81.077 31.623 -7.464 1.00 0.00 N ATOM 734 CA LEU A 69 80.009 31.798 -8.455 1.00 0.00 C ATOM 735 C LEU A 69 78.682 32.310 -7.861 1.00 0.00 C ATOM 736 O LEU A 69 77.704 32.402 -8.594 1.00 0.00 O ATOM 737 CB LEU A 69 79.810 30.493 -9.255 1.00 0.00 C ATOM 738 CG LEU A 69 81.017 30.029 -10.095 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.686 28.684 -10.736 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.400 31.011 -11.201 1.00 0.00 C ATOM 0 H LEU A 69 81.056 30.708 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 69 80.336 32.587 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.550 29.697 -8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 69 78.957 30.624 -9.921 1.00 0.00 H new ATOM 0 HG LEU A 69 81.866 29.958 -9.416 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.534 28.347 -11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.476 27.951 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.811 28.792 -11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.256 30.622 -11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.558 31.139 -11.881 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.659 31.973 -10.759 1.00 0.00 H new ATOM 752 N ALA A 70 78.590 32.657 -6.574 1.00 0.00 N ATOM 753 CA ALA A 70 77.332 33.118 -5.984 1.00 0.00 C ATOM 754 C ALA A 70 76.755 34.343 -6.732 1.00 0.00 C ATOM 755 O ALA A 70 77.398 35.390 -6.851 1.00 0.00 O ATOM 756 CB ALA A 70 77.545 33.405 -4.493 1.00 0.00 C ATOM 0 H ALA A 70 79.373 32.627 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 70 76.588 32.328 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.610 33.748 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.871 32.494 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.306 34.176 -4.376 1.00 0.00 H new ATOM 762 N GLY A 71 75.534 34.185 -7.252 1.00 0.00 N ATOM 763 CA GLY A 71 74.833 35.166 -8.092 1.00 0.00 C ATOM 764 C GLY A 71 75.212 35.150 -9.585 1.00 0.00 C ATOM 765 O GLY A 71 74.771 36.030 -10.325 1.00 0.00 O ATOM 0 H GLY A 71 74.985 33.340 -7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.760 34.992 -8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.028 36.163 -7.696 1.00 0.00 H new ATOM 769 N LEU A 72 76.016 34.177 -10.036 1.00 0.00 N ATOM 770 CA LEU A 72 76.505 34.017 -11.418 1.00 0.00 C ATOM 771 C LEU A 72 75.756 32.868 -12.158 1.00 0.00 C ATOM 772 O LEU A 72 75.133 32.032 -11.496 1.00 0.00 O ATOM 773 CB LEU A 72 78.049 33.862 -11.377 1.00 0.00 C ATOM 774 CG LEU A 72 78.828 34.988 -10.652 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.315 34.895 -11.002 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.394 36.409 -11.029 1.00 0.00 C ATOM 0 H LEU A 72 76.362 33.442 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 72 76.283 34.903 -12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.286 32.914 -10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.415 33.797 -12.402 1.00 0.00 H new ATOM 0 HG LEU A 72 78.620 34.831 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 72 80.860 35.689 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.703 33.927 -10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.443 35.004 -12.079 1.00 0.00 H new ATOM 0 HD21 LEU A 72 78.992 37.131 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.540 36.562 -12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.341 36.545 -10.783 1.00 0.00 H new ATOM 788 N PRO A 73 75.756 32.827 -13.510 1.00 0.00 N ATOM 789 CA PRO A 73 74.890 31.954 -14.321 1.00 0.00 C ATOM 790 C PRO A 73 75.275 30.470 -14.275 1.00 0.00 C ATOM 791 O PRO A 73 76.409 30.128 -13.948 1.00 0.00 O ATOM 792 CB PRO A 73 75.023 32.478 -15.756 1.00 0.00 C ATOM 793 CG PRO A 73 76.412 33.092 -15.788 1.00 0.00 C ATOM 794 CD PRO A 73 76.562 33.662 -14.390 1.00 0.00 C ATOM 0 HA PRO A 73 73.873 31.990 -13.931 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.923 31.675 -16.486 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.254 33.215 -15.986 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.178 32.348 -16.005 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.494 33.866 -16.551 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.607 33.656 -14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.225 34.698 -14.356 1.00 0.00 H new ATOM 802 N VAL A 74 74.373 29.579 -14.700 1.00 0.00 N ATOM 803 CA VAL A 74 74.628 28.127 -14.789 1.00 0.00 C ATOM 804 C VAL A 74 74.744 27.636 -16.246 1.00 0.00 C ATOM 805 O VAL A 74 75.466 26.671 -16.499 1.00 0.00 O ATOM 806 CB VAL A 74 73.565 27.336 -13.996 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.966 25.867 -13.810 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.325 27.910 -12.589 1.00 0.00 C ATOM 0 H VAL A 74 73.433 29.843 -14.996 1.00 0.00 H new ATOM 0 HA VAL A 74 75.599 27.939 -14.330 1.00 0.00 H new ATOM 0 HB VAL A 74 72.657 27.419 -14.593 1.00 0.00 H new ATOM 0 HG11 VAL A 74 73.191 25.347 -13.247 1.00 0.00 H new ATOM 0 HG12 VAL A 74 74.084 25.396 -14.786 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.908 25.813 -13.265 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.569 27.315 -12.077 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.255 27.881 -12.021 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.981 28.941 -12.670 1.00 0.00 H new ATOM 818 N THR A 75 74.114 28.315 -17.217 1.00 0.00 N ATOM 819 CA THR A 75 74.159 27.990 -18.666 1.00 0.00 C ATOM 820 C THR A 75 74.569 29.172 -19.557 1.00 0.00 C ATOM 821 O THR A 75 74.661 30.309 -19.095 1.00 0.00 O ATOM 822 CB THR A 75 72.816 27.416 -19.154 1.00 0.00 C ATOM 823 OG1 THR A 75 71.851 28.445 -19.212 1.00 0.00 O ATOM 824 CG2 THR A 75 72.312 26.285 -18.262 1.00 0.00 C ATOM 0 H THR A 75 73.539 29.133 -17.017 1.00 0.00 H new ATOM 0 HA THR A 75 74.939 27.235 -18.762 1.00 0.00 H new ATOM 0 HB THR A 75 72.980 27.000 -20.148 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.998 28.077 -19.524 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.362 25.913 -18.647 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.042 25.476 -18.254 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.171 26.657 -17.247 1.00 0.00 H new ATOM 832 N ARG A 76 74.796 28.929 -20.863 1.00 0.00 N ATOM 833 CA ARG A 76 75.067 30.003 -21.851 1.00 0.00 C ATOM 834 C ARG A 76 73.854 30.920 -22.020 1.00 0.00 C ATOM 835 O ARG A 76 74.013 32.135 -22.093 1.00 0.00 O ATOM 836 CB ARG A 76 75.498 29.409 -23.211 1.00 0.00 C ATOM 837 CG ARG A 76 76.860 28.705 -23.127 1.00 0.00 C ATOM 838 CD ARG A 76 77.366 28.221 -24.488 1.00 0.00 C ATOM 839 NE ARG A 76 78.645 27.494 -24.343 1.00 0.00 N ATOM 840 CZ ARG A 76 79.375 26.973 -25.315 1.00 0.00 C ATOM 841 NH1 ARG A 76 79.047 27.102 -26.570 1.00 0.00 N ATOM 842 NH2 ARG A 76 80.457 26.302 -25.038 1.00 0.00 N ATOM 0 H ARG A 76 74.798 27.991 -21.265 1.00 0.00 H new ATOM 0 HA ARG A 76 75.891 30.605 -21.467 1.00 0.00 H new ATOM 0 HB2 ARG A 76 74.744 28.700 -23.552 1.00 0.00 H new ATOM 0 HB3 ARG A 76 75.547 30.204 -23.955 1.00 0.00 H new ATOM 0 HG2 ARG A 76 77.591 29.389 -22.696 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.782 27.854 -22.450 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.622 27.570 -24.947 1.00 0.00 H new ATOM 0 HD3 ARG A 76 77.500 29.072 -25.155 1.00 0.00 H new ATOM 0 HE ARG A 76 79.002 27.383 -23.394 1.00 0.00 H new ATOM 0 HH11 ARG A 76 78.205 27.617 -26.827 1.00 0.00 H new ATOM 0 HH12 ARG A 76 79.632 26.688 -27.295 1.00 0.00 H new ATOM 0 HH21 ARG A 76 80.745 26.176 -24.068 1.00 0.00 H new ATOM 0 HH22 ARG A 76 81.016 25.902 -25.792 1.00 0.00 H new ATOM 856 N SER A 77 72.651 30.348 -21.970 1.00 0.00 N ATOM 857 CA SER A 77 71.389 31.096 -21.925 1.00 0.00 C ATOM 858 C SER A 77 71.312 31.967 -20.670 1.00 0.00 C ATOM 859 O SER A 77 71.055 33.164 -20.784 1.00 0.00 O ATOM 860 CB SER A 77 70.187 30.145 -21.981 1.00 0.00 C ATOM 861 OG SER A 77 70.262 29.323 -23.140 1.00 0.00 O ATOM 0 H SER A 77 72.521 29.336 -21.959 1.00 0.00 H new ATOM 0 HA SER A 77 71.359 31.746 -22.799 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.165 29.523 -21.086 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.261 30.719 -21.993 1.00 0.00 H new ATOM 0 HG SER A 77 69.490 28.719 -23.163 1.00 0.00 H new ATOM 867 N ASP A 78 71.637 31.425 -19.487 1.00 0.00 N ATOM 868 CA ASP A 78 71.674 32.222 -18.254 1.00 0.00 C ATOM 869 C ASP A 78 72.678 33.377 -18.375 1.00 0.00 C ATOM 870 O ASP A 78 72.349 34.517 -18.061 1.00 0.00 O ATOM 871 CB ASP A 78 72.073 31.373 -17.043 1.00 0.00 C ATOM 872 CG ASP A 78 71.130 30.227 -16.669 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.906 30.302 -16.931 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.648 29.276 -16.041 1.00 0.00 O ATOM 0 H ASP A 78 71.877 30.442 -19.359 1.00 0.00 H new ATOM 0 HA ASP A 78 70.667 32.612 -18.109 1.00 0.00 H new ATOM 0 HB2 ASP A 78 73.061 30.953 -17.232 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.166 32.033 -16.180 1.00 0.00 H new ATOM 879 N ALA A 79 73.891 33.102 -18.872 1.00 0.00 N ATOM 880 CA ALA A 79 74.953 34.097 -19.017 1.00 0.00 C ATOM 881 C ALA A 79 74.575 35.232 -19.984 1.00 0.00 C ATOM 882 O ALA A 79 74.795 36.400 -19.663 1.00 0.00 O ATOM 883 CB ALA A 79 76.239 33.355 -19.420 1.00 0.00 C ATOM 0 H ALA A 79 74.162 32.171 -19.187 1.00 0.00 H new ATOM 0 HA ALA A 79 75.116 34.607 -18.067 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.052 34.072 -19.536 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.500 32.633 -18.646 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.078 32.834 -20.363 1.00 0.00 H new ATOM 889 N ARG A 80 73.934 34.925 -21.119 1.00 0.00 N ATOM 890 CA ARG A 80 73.435 35.937 -22.074 1.00 0.00 C ATOM 891 C ARG A 80 72.278 36.764 -21.498 1.00 0.00 C ATOM 892 O ARG A 80 72.274 37.982 -21.665 1.00 0.00 O ATOM 893 CB ARG A 80 73.058 35.250 -23.401 1.00 0.00 C ATOM 894 CG ARG A 80 74.314 34.826 -24.187 1.00 0.00 C ATOM 895 CD ARG A 80 73.996 33.906 -25.373 1.00 0.00 C ATOM 896 NE ARG A 80 73.075 34.533 -26.347 1.00 0.00 N ATOM 897 CZ ARG A 80 73.368 35.064 -27.523 1.00 0.00 C ATOM 898 NH1 ARG A 80 74.590 35.220 -27.948 1.00 0.00 N ATOM 899 NH2 ARG A 80 72.411 35.460 -28.312 1.00 0.00 N ATOM 0 H ARG A 80 73.743 33.965 -21.407 1.00 0.00 H new ATOM 0 HA ARG A 80 74.234 36.652 -22.268 1.00 0.00 H new ATOM 0 HB2 ARG A 80 72.441 34.375 -23.198 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.459 35.929 -24.007 1.00 0.00 H new ATOM 0 HG2 ARG A 80 74.825 35.717 -24.552 1.00 0.00 H new ATOM 0 HG3 ARG A 80 75.003 34.316 -23.513 1.00 0.00 H new ATOM 0 HD2 ARG A 80 74.924 33.635 -25.877 1.00 0.00 H new ATOM 0 HD3 ARG A 80 73.553 32.981 -25.003 1.00 0.00 H new ATOM 0 HE ARG A 80 72.091 34.559 -26.078 1.00 0.00 H new ATOM 0 HH11 ARG A 80 75.374 34.927 -27.365 1.00 0.00 H new ATOM 0 HH12 ARG A 80 74.762 35.635 -28.864 1.00 0.00 H new ATOM 0 HH21 ARG A 80 71.438 35.361 -28.023 1.00 0.00 H new ATOM 0 HH22 ARG A 80 72.634 35.870 -29.219 1.00 0.00 H new ATOM 913 N VAL A 81 71.357 36.150 -20.748 1.00 0.00 N ATOM 914 CA VAL A 81 70.270 36.867 -20.042 1.00 0.00 C ATOM 915 C VAL A 81 70.826 37.802 -18.972 1.00 0.00 C ATOM 916 O VAL A 81 70.439 38.968 -18.924 1.00 0.00 O ATOM 917 CB VAL A 81 69.258 35.885 -19.422 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.222 36.569 -18.517 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.486 35.180 -20.535 1.00 0.00 C ATOM 0 H VAL A 81 71.337 35.140 -20.608 1.00 0.00 H new ATOM 0 HA VAL A 81 69.747 37.470 -20.785 1.00 0.00 H new ATOM 0 HB VAL A 81 69.842 35.192 -18.817 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.540 35.820 -18.114 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.732 37.074 -17.697 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.657 37.298 -19.097 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.770 34.485 -20.097 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.954 35.919 -21.134 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.182 34.632 -21.170 1.00 0.00 H new ATOM 929 N LEU A 82 71.765 37.328 -18.149 1.00 0.00 N ATOM 930 CA LEU A 82 72.442 38.158 -17.148 1.00 0.00 C ATOM 931 C LEU A 82 73.202 39.332 -17.776 1.00 0.00 C ATOM 932 O LEU A 82 73.032 40.455 -17.309 1.00 0.00 O ATOM 933 CB LEU A 82 73.368 37.288 -16.279 1.00 0.00 C ATOM 934 CG LEU A 82 72.701 36.838 -14.970 1.00 0.00 C ATOM 935 CD1 LEU A 82 71.442 35.996 -15.159 1.00 0.00 C ATOM 936 CD2 LEU A 82 73.699 36.005 -14.178 1.00 0.00 C ATOM 0 H LEU A 82 72.078 36.357 -18.158 1.00 0.00 H new ATOM 0 HA LEU A 82 71.675 38.599 -16.511 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.673 36.409 -16.847 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.274 37.848 -16.047 1.00 0.00 H new ATOM 0 HG LEU A 82 72.401 37.750 -14.454 1.00 0.00 H new ATOM 0 HD11 LEU A 82 71.037 35.723 -14.184 1.00 0.00 H new ATOM 0 HD12 LEU A 82 70.699 36.571 -15.712 1.00 0.00 H new ATOM 0 HD13 LEU A 82 71.689 35.092 -15.716 1.00 0.00 H new ATOM 0 HD21 LEU A 82 73.240 35.678 -13.245 1.00 0.00 H new ATOM 0 HD22 LEU A 82 73.992 35.134 -14.764 1.00 0.00 H new ATOM 0 HD23 LEU A 82 74.581 36.606 -13.957 1.00 0.00 H new ATOM 948 N ILE A 83 73.963 39.109 -18.859 1.00 0.00 N ATOM 949 CA ILE A 83 74.597 40.197 -19.629 1.00 0.00 C ATOM 950 C ILE A 83 73.542 41.222 -20.064 1.00 0.00 C ATOM 951 O ILE A 83 73.722 42.415 -19.824 1.00 0.00 O ATOM 952 CB ILE A 83 75.382 39.639 -20.842 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.687 38.978 -20.342 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.699 40.733 -21.889 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.341 38.048 -21.373 1.00 0.00 C ATOM 0 H ILE A 83 74.157 38.177 -19.226 1.00 0.00 H new ATOM 0 HA ILE A 83 75.317 40.703 -18.986 1.00 0.00 H new ATOM 0 HB ILE A 83 74.755 38.899 -21.339 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.397 39.758 -20.067 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.472 38.409 -19.437 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.250 40.293 -22.720 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.768 41.164 -22.258 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.302 41.515 -21.427 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.251 37.621 -20.952 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.649 37.246 -21.630 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.588 38.616 -22.270 1.00 0.00 H new ATOM 967 N PHE A 84 72.435 40.768 -20.662 1.00 0.00 N ATOM 968 CA PHE A 84 71.393 41.657 -21.168 1.00 0.00 C ATOM 969 C PHE A 84 70.717 42.472 -20.060 1.00 0.00 C ATOM 970 O PHE A 84 70.673 43.694 -20.165 1.00 0.00 O ATOM 971 CB PHE A 84 70.359 40.853 -21.969 1.00 0.00 C ATOM 972 CG PHE A 84 69.451 41.695 -22.848 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.006 42.585 -23.789 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.051 41.553 -22.778 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.185 43.274 -24.694 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.224 42.275 -23.658 1.00 0.00 C ATOM 977 CZ PHE A 84 67.789 43.127 -24.625 1.00 0.00 C ATOM 0 H PHE A 84 72.240 39.777 -20.807 1.00 0.00 H new ATOM 0 HA PHE A 84 71.875 42.379 -21.827 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.884 40.132 -22.596 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.743 40.282 -21.274 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.075 42.738 -23.814 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.612 40.889 -22.048 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.625 43.916 -25.443 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.151 42.175 -23.591 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.152 43.666 -25.311 1.00 0.00 H new ATOM 987 N ASN A 85 70.243 41.837 -18.982 1.00 0.00 N ATOM 988 CA ASN A 85 69.547 42.544 -17.905 1.00 0.00 C ATOM 989 C ASN A 85 70.478 43.497 -17.128 1.00 0.00 C ATOM 990 O ASN A 85 70.103 44.640 -16.854 1.00 0.00 O ATOM 991 CB ASN A 85 68.869 41.527 -16.973 1.00 0.00 C ATOM 992 CG ASN A 85 68.115 42.258 -15.871 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.982 42.685 -16.042 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.735 42.477 -14.733 1.00 0.00 N ATOM 0 H ASN A 85 70.330 40.832 -18.834 1.00 0.00 H new ATOM 0 HA ASN A 85 68.781 43.176 -18.355 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.182 40.901 -17.542 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.617 40.865 -16.537 1.00 0.00 H new ATOM 0 HD21 ASN A 85 68.271 43.003 -13.992 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.680 42.121 -14.590 1.00 0.00 H new ATOM 1001 N GLU A 86 71.696 43.042 -16.797 1.00 0.00 N ATOM 1002 CA GLU A 86 72.722 43.878 -16.162 1.00 0.00 C ATOM 1003 C GLU A 86 73.003 45.112 -17.023 1.00 0.00 C ATOM 1004 O GLU A 86 72.889 46.236 -16.533 1.00 0.00 O ATOM 1005 CB GLU A 86 74.011 43.064 -15.959 1.00 0.00 C ATOM 1006 CG GLU A 86 75.129 43.847 -15.260 1.00 0.00 C ATOM 1007 CD GLU A 86 76.452 43.066 -15.345 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.650 42.086 -14.591 1.00 0.00 O ATOM 1009 OE2 GLU A 86 77.308 43.391 -16.201 1.00 0.00 O ATOM 0 H GLU A 86 71.996 42.081 -16.963 1.00 0.00 H new ATOM 0 HA GLU A 86 72.358 44.208 -15.189 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.780 42.175 -15.372 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.371 42.721 -16.929 1.00 0.00 H new ATOM 0 HG2 GLU A 86 75.245 44.826 -15.726 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.866 44.020 -14.216 1.00 0.00 H new ATOM 1016 N TRP A 87 73.302 44.913 -18.311 1.00 0.00 N ATOM 1017 CA TRP A 87 73.514 46.018 -19.231 1.00 0.00 C ATOM 1018 C TRP A 87 72.285 46.919 -19.321 1.00 0.00 C ATOM 1019 O TRP A 87 72.461 48.113 -19.168 1.00 0.00 O ATOM 1020 CB TRP A 87 73.913 45.497 -20.605 1.00 0.00 C ATOM 1021 CG TRP A 87 73.919 46.529 -21.688 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.870 47.461 -21.923 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.933 46.691 -22.744 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.535 48.187 -23.051 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.372 47.723 -23.623 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.757 45.999 -23.094 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.719 48.006 -24.830 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.084 46.299 -24.286 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.557 47.292 -25.161 1.00 0.00 C ATOM 0 H TRP A 87 73.401 43.990 -18.734 1.00 0.00 H new ATOM 0 HA TRP A 87 74.331 46.625 -18.842 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.908 45.056 -20.537 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.229 44.697 -20.888 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.754 47.615 -21.323 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.081 48.968 -23.414 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.371 45.232 -22.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.105 48.763 -25.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.184 45.757 -24.537 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.031 47.504 -26.080 1.00 0.00 H new ATOM 1040 N GLU A 88 71.063 46.409 -19.492 1.00 0.00 N ATOM 1041 CA GLU A 88 69.855 47.237 -19.589 1.00 0.00 C ATOM 1042 C GLU A 88 69.650 48.158 -18.372 1.00 0.00 C ATOM 1043 O GLU A 88 69.413 49.354 -18.554 1.00 0.00 O ATOM 1044 CB GLU A 88 68.607 46.360 -19.775 1.00 0.00 C ATOM 1045 CG GLU A 88 68.368 45.908 -21.220 1.00 0.00 C ATOM 1046 CD GLU A 88 66.969 45.268 -21.356 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.676 44.256 -20.671 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.131 45.803 -22.125 1.00 0.00 O ATOM 0 H GLU A 88 70.881 45.408 -19.567 1.00 0.00 H new ATOM 0 HA GLU A 88 70.000 47.874 -20.462 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.698 45.478 -19.140 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.733 46.913 -19.429 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.453 46.761 -21.894 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.134 45.191 -21.516 1.00 0.00 H new ATOM 1055 N GLU A 89 69.767 47.654 -17.135 1.00 0.00 N ATOM 1056 CA GLU A 89 69.597 48.493 -15.933 1.00 0.00 C ATOM 1057 C GLU A 89 70.737 49.519 -15.781 1.00 0.00 C ATOM 1058 O GLU A 89 70.509 50.726 -15.602 1.00 0.00 O ATOM 1059 CB GLU A 89 69.493 47.615 -14.673 1.00 0.00 C ATOM 1060 CG GLU A 89 68.199 46.790 -14.643 1.00 0.00 C ATOM 1061 CD GLU A 89 68.025 46.051 -13.298 1.00 0.00 C ATOM 1062 OE1 GLU A 89 67.794 46.723 -12.262 1.00 0.00 O ATOM 1063 OE2 GLU A 89 68.095 44.798 -13.263 1.00 0.00 O ATOM 0 H GLU A 89 69.977 46.676 -16.938 1.00 0.00 H new ATOM 0 HA GLU A 89 68.669 49.051 -16.054 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.350 46.943 -14.629 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.538 48.248 -13.787 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.345 47.446 -14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.210 46.066 -15.458 1.00 0.00 H new ATOM 1070 N ARG A 90 71.985 49.053 -15.923 1.00 0.00 N ATOM 1071 CA ARG A 90 73.168 49.923 -15.836 1.00 0.00 C ATOM 1072 C ARG A 90 73.133 50.985 -16.926 1.00 0.00 C ATOM 1073 O ARG A 90 73.290 52.151 -16.620 1.00 0.00 O ATOM 1074 CB ARG A 90 74.457 49.096 -15.922 1.00 0.00 C ATOM 1075 CG ARG A 90 74.632 48.082 -14.788 1.00 0.00 C ATOM 1076 CD ARG A 90 75.117 48.654 -13.445 1.00 0.00 C ATOM 1077 NE ARG A 90 74.088 49.448 -12.739 1.00 0.00 N ATOM 1078 CZ ARG A 90 73.039 49.006 -12.063 1.00 0.00 C ATOM 1079 NH1 ARG A 90 72.762 47.738 -11.948 1.00 0.00 N ATOM 1080 NH2 ARG A 90 72.234 49.846 -11.481 1.00 0.00 N ATOM 0 H ARG A 90 72.203 48.072 -16.100 1.00 0.00 H new ATOM 0 HA ARG A 90 73.153 50.426 -14.869 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.471 48.565 -16.874 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.310 49.774 -15.922 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.678 47.581 -14.624 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.340 47.320 -15.114 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.436 47.833 -12.803 1.00 0.00 H new ATOM 0 HD3 ARG A 90 75.992 49.280 -13.620 1.00 0.00 H new ATOM 0 HE ARG A 90 74.200 50.461 -12.778 1.00 0.00 H new ATOM 0 HH11 ARG A 90 73.364 47.042 -12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 90 71.943 47.441 -11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 90 72.410 50.849 -11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 90 71.427 49.502 -10.961 1.00 0.00 H new ATOM 1094 N LYS A 91 72.803 50.614 -18.159 1.00 0.00 N ATOM 1095 CA LYS A 91 72.601 51.516 -19.318 1.00 0.00 C ATOM 1096 C LYS A 91 71.455 52.513 -19.113 1.00 0.00 C ATOM 1097 O LYS A 91 71.582 53.661 -19.535 1.00 0.00 O ATOM 1098 CB LYS A 91 72.340 50.667 -20.590 1.00 0.00 C ATOM 1099 CG LYS A 91 71.994 51.387 -21.908 1.00 0.00 C ATOM 1100 CD LYS A 91 73.173 52.136 -22.544 1.00 0.00 C ATOM 1101 CE LYS A 91 72.774 52.901 -23.820 1.00 0.00 C ATOM 1102 NZ LYS A 91 72.464 52.003 -24.975 1.00 0.00 N ATOM 0 H LYS A 91 72.659 49.634 -18.402 1.00 0.00 H new ATOM 0 HA LYS A 91 73.511 52.106 -19.430 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.228 50.060 -20.769 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.524 49.980 -20.366 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.617 50.654 -22.621 1.00 0.00 H new ATOM 0 HG3 LYS A 91 71.187 52.095 -21.721 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.586 52.838 -21.819 1.00 0.00 H new ATOM 0 HD3 LYS A 91 73.963 51.424 -22.784 1.00 0.00 H new ATOM 0 HE2 LYS A 91 71.903 53.521 -23.606 1.00 0.00 H new ATOM 0 HE3 LYS A 91 73.584 53.575 -24.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 72.203 52.578 -25.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 73.301 51.429 -25.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 71.672 51.377 -24.725 1.00 0.00 H new ATOM 1116 N LYS A 92 70.365 52.127 -18.434 1.00 0.00 N ATOM 1117 CA LYS A 92 69.304 53.065 -18.021 1.00 0.00 C ATOM 1118 C LYS A 92 69.846 54.128 -17.051 1.00 0.00 C ATOM 1119 O LYS A 92 69.450 55.291 -17.144 1.00 0.00 O ATOM 1120 CB LYS A 92 68.112 52.277 -17.449 1.00 0.00 C ATOM 1121 CG LYS A 92 66.862 53.153 -17.288 1.00 0.00 C ATOM 1122 CD LYS A 92 65.662 52.318 -16.813 1.00 0.00 C ATOM 1123 CE LYS A 92 64.350 53.120 -16.775 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.332 54.157 -15.703 1.00 0.00 N ATOM 0 H LYS A 92 70.192 51.161 -18.155 1.00 0.00 H new ATOM 0 HA LYS A 92 68.946 53.615 -18.891 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.884 51.438 -18.107 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.387 51.857 -16.481 1.00 0.00 H new ATOM 0 HG2 LYS A 92 67.062 53.950 -16.571 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.624 53.631 -18.238 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.538 51.460 -17.474 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.871 51.925 -15.818 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.197 53.601 -17.741 1.00 0.00 H new ATOM 0 HE3 LYS A 92 63.516 52.435 -16.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 63.425 54.664 -15.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 64.450 53.700 -14.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 65.109 54.830 -15.858 1.00 0.00 H new ATOM 1138 N SER A 93 70.802 53.762 -16.188 1.00 0.00 N ATOM 1139 CA SER A 93 71.594 54.743 -15.410 1.00 0.00 C ATOM 1140 C SER A 93 72.725 55.449 -16.211 1.00 0.00 C ATOM 1141 O SER A 93 73.054 56.607 -15.938 1.00 0.00 O ATOM 1142 CB SER A 93 72.157 54.054 -14.160 1.00 0.00 C ATOM 1143 OG SER A 93 72.612 55.014 -13.217 1.00 0.00 O ATOM 0 H SER A 93 71.052 52.790 -16.005 1.00 0.00 H new ATOM 0 HA SER A 93 70.910 55.546 -15.135 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.388 53.428 -13.707 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.979 53.396 -14.441 1.00 0.00 H new ATOM 0 HG SER A 93 72.966 54.554 -12.427 1.00 0.00 H new ATOM 1149 N GLU A 94 73.301 54.786 -17.219 1.00 0.00 N ATOM 1150 CA GLU A 94 74.559 55.123 -17.914 1.00 0.00 C ATOM 1151 C GLU A 94 74.409 55.044 -19.451 1.00 0.00 C ATOM 1152 O GLU A 94 74.804 54.040 -20.052 1.00 0.00 O ATOM 1153 CB GLU A 94 75.686 54.163 -17.469 1.00 0.00 C ATOM 1154 CG GLU A 94 75.907 54.116 -15.960 1.00 0.00 C ATOM 1155 CD GLU A 94 77.200 53.351 -15.610 1.00 0.00 C ATOM 1156 OE1 GLU A 94 77.150 52.113 -15.407 1.00 0.00 O ATOM 1157 OE2 GLU A 94 78.280 53.986 -15.506 1.00 0.00 O ATOM 0 H GLU A 94 72.876 53.941 -17.601 1.00 0.00 H new ATOM 0 HA GLU A 94 74.810 56.149 -17.646 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.453 53.159 -17.822 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.616 54.463 -17.952 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.964 55.131 -15.566 1.00 0.00 H new ATOM 0 HG3 GLU A 94 75.055 53.635 -15.480 1.00 0.00 H new ATOM 1164 N PRO A 95 73.861 56.070 -20.133 1.00 0.00 N ATOM 1165 CA PRO A 95 73.475 56.015 -21.556 1.00 0.00 C ATOM 1166 C PRO A 95 74.614 55.804 -22.587 1.00 0.00 C ATOM 1167 O PRO A 95 74.367 55.844 -23.793 1.00 0.00 O ATOM 1168 CB PRO A 95 72.666 57.300 -21.807 1.00 0.00 C ATOM 1169 CG PRO A 95 73.129 58.252 -20.706 1.00 0.00 C ATOM 1170 CD PRO A 95 73.375 57.306 -19.537 1.00 0.00 C ATOM 0 HA PRO A 95 72.895 55.108 -21.724 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.865 57.709 -22.798 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.594 57.114 -21.748 1.00 0.00 H new ATOM 0 HG2 PRO A 95 74.033 58.791 -20.989 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.372 59.000 -20.471 1.00 0.00 H new ATOM 0 HD2 PRO A 95 74.106 57.721 -18.843 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.459 57.135 -18.971 1.00 0.00 H new ATOM 1178 N TRP A 96 75.843 55.536 -22.138 1.00 0.00 N ATOM 1179 CA TRP A 96 77.037 55.231 -22.942 1.00 0.00 C ATOM 1180 C TRP A 96 77.457 53.743 -22.940 1.00 0.00 C ATOM 1181 O TRP A 96 78.396 53.384 -23.656 1.00 0.00 O ATOM 1182 CB TRP A 96 78.175 56.129 -22.430 1.00 0.00 C ATOM 1183 CG TRP A 96 78.428 56.054 -20.950 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.211 55.148 -20.323 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.872 56.899 -19.892 1.00 0.00 C ATOM 1186 NE1 TRP A 96 79.180 55.370 -18.958 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.366 56.435 -18.636 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.994 58.004 -19.868 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.997 57.028 -17.419 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.627 58.615 -18.652 1.00 0.00 C ATOM 1191 CH2 TRP A 96 77.120 58.124 -17.428 1.00 0.00 C ATOM 0 H TRP A 96 76.047 55.525 -21.139 1.00 0.00 H new ATOM 0 HA TRP A 96 76.799 55.434 -23.986 1.00 0.00 H new ATOM 0 HB2 TRP A 96 79.092 55.861 -22.954 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.948 57.162 -22.692 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.775 54.369 -20.814 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.695 54.815 -18.275 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.597 58.387 -20.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.383 56.645 -16.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.963 59.466 -18.659 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.824 58.589 -16.499 1.00 0.00 H new ATOM 1202 N LEU A 97 76.816 52.873 -22.142 1.00 0.00 N ATOM 1203 CA LEU A 97 77.275 51.505 -21.870 1.00 0.00 C ATOM 1204 C LEU A 97 77.241 50.560 -23.090 1.00 0.00 C ATOM 1205 O LEU A 97 76.264 50.531 -23.841 1.00 0.00 O ATOM 1206 CB LEU A 97 76.424 50.940 -20.717 1.00 0.00 C ATOM 1207 CG LEU A 97 77.083 49.789 -19.954 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.332 50.207 -19.176 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.081 49.223 -18.954 1.00 0.00 C ATOM 0 H LEU A 97 75.948 53.107 -21.660 1.00 0.00 H new ATOM 0 HA LEU A 97 78.330 51.561 -21.600 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.202 51.745 -20.016 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.471 50.596 -21.119 1.00 0.00 H new ATOM 0 HG LEU A 97 77.387 49.055 -20.701 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.746 49.341 -18.660 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.074 50.607 -19.867 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.067 50.972 -18.446 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.540 48.401 -18.404 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.783 50.005 -18.256 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.203 48.857 -19.486 1.00 0.00 H new ATOM 1221 N ARG A 98 78.275 49.720 -23.237 1.00 0.00 N ATOM 1222 CA ARG A 98 78.451 48.765 -24.356 1.00 0.00 C ATOM 1223 C ARG A 98 77.999 47.338 -24.002 1.00 0.00 C ATOM 1224 O ARG A 98 77.917 46.978 -22.828 1.00 0.00 O ATOM 1225 CB ARG A 98 79.914 48.795 -24.850 1.00 0.00 C ATOM 1226 CG ARG A 98 80.513 50.203 -25.041 1.00 0.00 C ATOM 1227 CD ARG A 98 79.707 51.105 -25.987 1.00 0.00 C ATOM 1228 NE ARG A 98 80.124 52.512 -25.844 1.00 0.00 N ATOM 1229 CZ ARG A 98 81.071 53.155 -26.503 1.00 0.00 C ATOM 1230 NH1 ARG A 98 81.795 52.582 -27.424 1.00 0.00 N ATOM 1231 NH2 ARG A 98 81.310 54.407 -26.240 1.00 0.00 N ATOM 0 H ARG A 98 79.039 49.680 -22.563 1.00 0.00 H new ATOM 0 HA ARG A 98 77.799 49.087 -25.168 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.532 48.248 -24.138 1.00 0.00 H new ATOM 0 HB3 ARG A 98 79.972 48.261 -25.799 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.587 50.689 -24.068 1.00 0.00 H new ATOM 0 HG3 ARG A 98 81.528 50.105 -25.427 1.00 0.00 H new ATOM 0 HD2 ARG A 98 79.851 50.781 -27.018 1.00 0.00 H new ATOM 0 HD3 ARG A 98 78.643 51.011 -25.769 1.00 0.00 H new ATOM 0 HE ARG A 98 79.617 53.058 -25.148 1.00 0.00 H new ATOM 0 HH11 ARG A 98 81.639 51.602 -27.659 1.00 0.00 H new ATOM 0 HH12 ARG A 98 82.517 53.114 -27.910 1.00 0.00 H new ATOM 0 HH21 ARG A 98 80.766 54.891 -25.525 1.00 0.00 H new ATOM 0 HH22 ARG A 98 82.041 54.904 -26.748 1.00 0.00 H new ATOM 1245 N LEU A 99 77.697 46.544 -25.032 1.00 0.00 N ATOM 1246 CA LEU A 99 77.012 45.245 -24.959 1.00 0.00 C ATOM 1247 C LEU A 99 77.665 44.241 -25.929 1.00 0.00 C ATOM 1248 O LEU A 99 77.851 44.551 -27.108 1.00 0.00 O ATOM 1249 CB LEU A 99 75.535 45.530 -25.302 1.00 0.00 C ATOM 1250 CG LEU A 99 74.471 44.419 -25.213 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.557 43.477 -26.418 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.486 43.672 -23.883 1.00 0.00 C ATOM 0 H LEU A 99 77.935 46.800 -25.990 1.00 0.00 H new ATOM 0 HA LEU A 99 77.086 44.789 -23.972 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.206 46.340 -24.650 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.512 45.913 -26.322 1.00 0.00 H new ATOM 0 HG LEU A 99 73.499 44.912 -25.248 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.795 42.703 -26.330 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.394 44.043 -27.335 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.543 43.014 -26.448 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.712 42.904 -23.888 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.460 43.205 -23.739 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.296 44.373 -23.070 1.00 0.00 H new ATOM 1264 N ASP A 100 78.004 43.040 -25.447 1.00 0.00 N ATOM 1265 CA ASP A 100 78.586 41.956 -26.258 1.00 0.00 C ATOM 1266 C ASP A 100 78.139 40.573 -25.743 1.00 0.00 C ATOM 1267 O ASP A 100 78.145 40.332 -24.535 1.00 0.00 O ATOM 1268 CB ASP A 100 80.119 42.083 -26.254 1.00 0.00 C ATOM 1269 CG ASP A 100 80.829 41.088 -27.195 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.194 40.566 -28.142 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.045 40.849 -26.999 1.00 0.00 O ATOM 0 H ASP A 100 77.881 42.786 -24.467 1.00 0.00 H new ATOM 0 HA ASP A 100 78.226 42.047 -27.283 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.391 43.098 -26.542 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.484 41.932 -25.238 1.00 0.00 H new ATOM 1276 N MET A 101 77.731 39.677 -26.649 1.00 0.00 N ATOM 1277 CA MET A 101 77.118 38.373 -26.330 1.00 0.00 C ATOM 1278 C MET A 101 77.733 37.175 -27.081 1.00 0.00 C ATOM 1279 O MET A 101 77.245 36.050 -26.936 1.00 0.00 O ATOM 1280 CB MET A 101 75.604 38.444 -26.589 1.00 0.00 C ATOM 1281 CG MET A 101 74.882 39.470 -25.714 1.00 0.00 C ATOM 1282 SD MET A 101 73.107 39.499 -26.050 1.00 0.00 S ATOM 1283 CE MET A 101 72.578 40.723 -24.831 1.00 0.00 C ATOM 0 H MET A 101 77.818 39.839 -27.652 1.00 0.00 H new ATOM 0 HA MET A 101 77.324 38.188 -25.276 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.434 38.689 -27.637 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.168 37.460 -26.417 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.050 39.235 -24.663 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.303 40.460 -25.891 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.654 40.390 -24.359 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.352 40.839 -24.072 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.409 41.679 -25.326 1.00 0.00 H new ATOM 1293 N SER A 102 78.786 37.388 -27.877 1.00 0.00 N ATOM 1294 CA SER A 102 79.560 36.306 -28.510 1.00 0.00 C ATOM 1295 C SER A 102 80.251 35.436 -27.452 1.00 0.00 C ATOM 1296 O SER A 102 80.560 35.911 -26.362 1.00 0.00 O ATOM 1297 CB SER A 102 80.598 36.882 -29.481 1.00 0.00 C ATOM 1298 OG SER A 102 79.948 37.552 -30.554 1.00 0.00 O ATOM 0 H SER A 102 79.130 38.321 -28.104 1.00 0.00 H new ATOM 0 HA SER A 102 78.866 35.680 -29.071 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.254 37.575 -28.954 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.226 36.081 -29.870 1.00 0.00 H new ATOM 0 HG SER A 102 80.620 37.917 -31.167 1.00 0.00 H new ATOM 1304 N ASP A 103 80.520 34.164 -27.759 1.00 0.00 N ATOM 1305 CA ASP A 103 80.911 33.151 -26.759 1.00 0.00 C ATOM 1306 C ASP A 103 82.137 33.543 -25.913 1.00 0.00 C ATOM 1307 O ASP A 103 82.165 33.274 -24.712 1.00 0.00 O ATOM 1308 CB ASP A 103 81.154 31.808 -27.458 1.00 0.00 C ATOM 1309 CG ASP A 103 79.881 31.276 -28.138 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.056 30.617 -27.458 1.00 0.00 O ATOM 1311 OD2 ASP A 103 79.702 31.516 -29.357 1.00 0.00 O ATOM 0 H ASP A 103 80.474 33.800 -28.711 1.00 0.00 H new ATOM 0 HA ASP A 103 80.081 33.073 -26.056 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.942 31.924 -28.202 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.508 31.079 -26.730 1.00 0.00 H new ATOM 1316 N LYS A 104 83.099 34.281 -26.489 1.00 0.00 N ATOM 1317 CA LYS A 104 84.269 34.813 -25.767 1.00 0.00 C ATOM 1318 C LYS A 104 83.894 35.740 -24.605 1.00 0.00 C ATOM 1319 O LYS A 104 84.530 35.668 -23.557 1.00 0.00 O ATOM 1320 CB LYS A 104 85.224 35.512 -26.750 1.00 0.00 C ATOM 1321 CG LYS A 104 85.858 34.518 -27.740 1.00 0.00 C ATOM 1322 CD LYS A 104 86.984 35.137 -28.585 1.00 0.00 C ATOM 1323 CE LYS A 104 86.485 36.254 -29.516 1.00 0.00 C ATOM 1324 NZ LYS A 104 87.585 36.791 -30.366 1.00 0.00 N ATOM 0 H LYS A 104 83.088 34.528 -27.478 1.00 0.00 H new ATOM 0 HA LYS A 104 84.778 33.962 -25.315 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.679 36.277 -27.303 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.011 36.020 -26.192 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.254 33.667 -27.186 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.084 34.133 -28.404 1.00 0.00 H new ATOM 0 HD2 LYS A 104 87.751 35.538 -27.922 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.455 34.356 -29.182 1.00 0.00 H new ATOM 0 HE2 LYS A 104 85.688 35.870 -30.152 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.057 37.061 -28.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 87.213 37.542 -30.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 88.335 37.180 -29.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 87.976 36.026 -30.952 1.00 0.00 H new ATOM 1338 N ALA A 105 82.830 36.540 -24.726 1.00 0.00 N ATOM 1339 CA ALA A 105 82.311 37.366 -23.628 1.00 0.00 C ATOM 1340 C ALA A 105 81.829 36.507 -22.449 1.00 0.00 C ATOM 1341 O ALA A 105 82.099 36.817 -21.288 1.00 0.00 O ATOM 1342 CB ALA A 105 81.204 38.285 -24.163 1.00 0.00 C ATOM 0 H ALA A 105 82.301 36.634 -25.593 1.00 0.00 H new ATOM 0 HA ALA A 105 83.119 37.986 -23.238 1.00 0.00 H new ATOM 0 HB1 ALA A 105 80.817 38.899 -23.350 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.611 38.929 -24.943 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.397 37.680 -24.577 1.00 0.00 H new ATOM 1348 N ILE A 106 81.180 35.380 -22.755 1.00 0.00 N ATOM 1349 CA ILE A 106 80.644 34.444 -21.765 1.00 0.00 C ATOM 1350 C ILE A 106 81.802 33.701 -21.093 1.00 0.00 C ATOM 1351 O ILE A 106 81.862 33.678 -19.870 1.00 0.00 O ATOM 1352 CB ILE A 106 79.588 33.518 -22.419 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.254 34.255 -22.683 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.272 32.287 -21.545 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.314 35.454 -23.642 1.00 0.00 C ATOM 0 H ILE A 106 81.010 35.088 -23.717 1.00 0.00 H new ATOM 0 HA ILE A 106 80.115 34.976 -20.974 1.00 0.00 H new ATOM 0 HB ILE A 106 80.033 33.200 -23.362 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.539 33.535 -23.081 1.00 0.00 H new ATOM 0 HG13 ILE A 106 77.860 34.601 -21.727 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.527 31.668 -22.045 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.182 31.707 -21.391 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.884 32.615 -20.581 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.319 35.886 -23.747 1.00 0.00 H new ATOM 0 HD12 ILE A 106 78.996 36.205 -23.243 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.670 35.122 -24.617 1.00 0.00 H new ATOM 1367 N PHE A 107 82.771 33.194 -21.860 1.00 0.00 N ATOM 1368 CA PHE A 107 83.982 32.558 -21.315 1.00 0.00 C ATOM 1369 C PHE A 107 84.761 33.488 -20.370 1.00 0.00 C ATOM 1370 O PHE A 107 85.193 33.073 -19.295 1.00 0.00 O ATOM 1371 CB PHE A 107 84.935 32.160 -22.452 1.00 0.00 C ATOM 1372 CG PHE A 107 84.422 31.274 -23.571 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.315 30.416 -23.409 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.114 31.297 -24.795 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.911 29.583 -24.468 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.710 30.465 -25.854 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.613 29.602 -25.687 1.00 0.00 C ATOM 0 H PHE A 107 82.741 33.211 -22.879 1.00 0.00 H new ATOM 0 HA PHE A 107 83.640 31.685 -20.759 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.307 33.079 -22.905 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.791 31.658 -22.002 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.778 30.398 -22.472 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.960 31.957 -24.922 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.061 28.928 -24.345 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.241 30.489 -26.794 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.309 28.953 -26.495 1.00 0.00 H new ATOM 1387 N ARG A 108 84.954 34.752 -20.776 1.00 0.00 N ATOM 1388 CA ARG A 108 85.800 35.727 -20.081 1.00 0.00 C ATOM 1389 C ARG A 108 85.131 36.279 -18.815 1.00 0.00 C ATOM 1390 O ARG A 108 85.807 36.429 -17.798 1.00 0.00 O ATOM 1391 CB ARG A 108 86.213 36.774 -21.131 1.00 0.00 C ATOM 1392 CG ARG A 108 87.442 37.618 -20.774 1.00 0.00 C ATOM 1393 CD ARG A 108 87.167 38.809 -19.845 1.00 0.00 C ATOM 1394 NE ARG A 108 88.394 39.602 -19.630 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.534 40.655 -18.842 1.00 0.00 C ATOM 1396 NH1 ARG A 108 87.544 41.139 -18.145 1.00 0.00 N ATOM 1397 NH2 ARG A 108 89.689 41.250 -18.739 1.00 0.00 N ATOM 0 H ARG A 108 84.515 35.131 -21.615 1.00 0.00 H new ATOM 0 HA ARG A 108 86.705 35.272 -19.679 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.407 36.261 -22.073 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.371 37.444 -21.301 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.182 36.972 -20.302 1.00 0.00 H new ATOM 0 HG3 ARG A 108 87.887 37.992 -21.696 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.391 39.441 -20.277 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.789 38.450 -18.888 1.00 0.00 H new ATOM 0 HE ARG A 108 89.223 39.306 -20.145 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.623 40.704 -18.197 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.691 41.953 -17.548 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.490 40.904 -19.267 1.00 0.00 H new ATOM 0 HH22 ARG A 108 89.792 42.062 -18.130 1.00 0.00 H new ATOM 1411 N ARG A 109 83.806 36.499 -18.832 1.00 0.00 N ATOM 1412 CA ARG A 109 83.026 36.809 -17.611 1.00 0.00 C ATOM 1413 C ARG A 109 82.880 35.598 -16.679 1.00 0.00 C ATOM 1414 O ARG A 109 82.946 35.755 -15.460 1.00 0.00 O ATOM 1415 CB ARG A 109 81.632 37.347 -17.981 1.00 0.00 C ATOM 1416 CG ARG A 109 81.672 38.795 -18.499 1.00 0.00 C ATOM 1417 CD ARG A 109 80.279 39.328 -18.867 1.00 0.00 C ATOM 1418 NE ARG A 109 79.365 39.337 -17.700 1.00 0.00 N ATOM 1419 CZ ARG A 109 78.787 40.370 -17.105 1.00 0.00 C ATOM 1420 NH1 ARG A 109 78.943 41.597 -17.492 1.00 0.00 N ATOM 1421 NH2 ARG A 109 78.007 40.185 -16.085 1.00 0.00 N ATOM 0 H ARG A 109 83.244 36.469 -19.683 1.00 0.00 H new ATOM 0 HA ARG A 109 83.585 37.574 -17.072 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.190 36.705 -18.743 1.00 0.00 H new ATOM 0 HB3 ARG A 109 80.984 37.296 -17.106 1.00 0.00 H new ATOM 0 HG2 ARG A 109 82.114 39.438 -17.737 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.320 38.846 -19.374 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.370 40.339 -19.264 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.852 38.712 -19.658 1.00 0.00 H new ATOM 0 HE ARG A 109 79.152 38.423 -17.300 1.00 0.00 H new ATOM 0 HH11 ARG A 109 79.537 41.807 -18.294 1.00 0.00 H new ATOM 0 HH12 ARG A 109 78.472 42.353 -16.994 1.00 0.00 H new ATOM 0 HH21 ARG A 109 77.837 39.241 -15.738 1.00 0.00 H new ATOM 0 HH22 ARG A 109 77.564 40.983 -15.630 1.00 0.00 H new ATOM 1435 N TYR A 110 82.686 34.408 -17.251 1.00 0.00 N ATOM 1436 CA TYR A 110 82.272 33.190 -16.549 1.00 0.00 C ATOM 1437 C TYR A 110 83.173 31.991 -16.927 1.00 0.00 C ATOM 1438 O TYR A 110 82.819 31.192 -17.799 1.00 0.00 O ATOM 1439 CB TYR A 110 80.788 32.931 -16.860 1.00 0.00 C ATOM 1440 CG TYR A 110 79.866 34.123 -16.690 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.674 34.701 -15.421 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.208 34.655 -17.814 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.815 35.810 -15.283 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.322 35.741 -17.670 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.114 36.310 -16.399 1.00 0.00 C ATOM 1446 OH TYR A 110 77.251 37.351 -16.254 1.00 0.00 O ATOM 0 H TYR A 110 82.817 34.260 -18.252 1.00 0.00 H new ATOM 0 HA TYR A 110 82.388 33.321 -15.473 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.707 32.575 -17.887 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.435 32.126 -16.215 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.182 34.297 -14.558 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.383 34.229 -18.791 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.693 36.279 -14.318 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.804 36.136 -18.532 1.00 0.00 H new ATOM 0 HH TYR A 110 76.854 37.570 -17.123 1.00 0.00 H new ATOM 1456 N PRO A 111 84.347 31.828 -16.281 1.00 0.00 N ATOM 1457 CA PRO A 111 85.337 30.818 -16.672 1.00 0.00 C ATOM 1458 C PRO A 111 84.871 29.367 -16.452 1.00 0.00 C ATOM 1459 O PRO A 111 85.413 28.451 -17.072 1.00 0.00 O ATOM 1460 CB PRO A 111 86.596 31.154 -15.864 1.00 0.00 C ATOM 1461 CG PRO A 111 86.054 31.870 -14.629 1.00 0.00 C ATOM 1462 CD PRO A 111 84.860 32.641 -15.185 1.00 0.00 C ATOM 0 HA PRO A 111 85.516 30.858 -17.746 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.150 30.255 -15.594 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.276 31.791 -16.429 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.755 31.167 -13.852 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.796 32.536 -14.189 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.099 32.792 -14.419 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.160 33.629 -15.536 1.00 0.00 H new ATOM 1470 N HIS A 112 83.846 29.142 -15.619 1.00 0.00 N ATOM 1471 CA HIS A 112 83.216 27.828 -15.431 1.00 0.00 C ATOM 1472 C HIS A 112 82.360 27.388 -16.634 1.00 0.00 C ATOM 1473 O HIS A 112 82.154 26.189 -16.840 1.00 0.00 O ATOM 1474 CB HIS A 112 82.367 27.865 -14.153 1.00 0.00 C ATOM 1475 CG HIS A 112 81.045 28.582 -14.304 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.863 29.893 -14.759 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.825 28.012 -14.091 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.530 30.086 -14.779 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.894 28.986 -14.366 1.00 0.00 N ATOM 0 H HIS A 112 83.426 29.877 -15.050 1.00 0.00 H new ATOM 0 HA HIS A 112 84.011 27.088 -15.342 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.177 26.842 -13.828 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.941 28.349 -13.363 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.629 26.999 -13.771 1.00 0.00 H new ATOM 0 HE1 HIS A 112 79.044 31.001 -15.086 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.884 28.885 -14.270 1.00 0.00 H new ATOM 1487 N LEU A 113 81.868 28.347 -17.428 1.00 0.00 N ATOM 1488 CA LEU A 113 80.970 28.146 -18.561 1.00 0.00 C ATOM 1489 C LEU A 113 81.712 27.803 -19.878 1.00 0.00 C ATOM 1490 O LEU A 113 81.088 27.359 -20.847 1.00 0.00 O ATOM 1491 CB LEU A 113 80.117 29.432 -18.678 1.00 0.00 C ATOM 1492 CG LEU A 113 78.603 29.239 -18.838 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.268 28.295 -19.982 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.920 28.735 -17.575 1.00 0.00 C ATOM 0 H LEU A 113 82.099 29.330 -17.287 1.00 0.00 H new ATOM 0 HA LEU A 113 80.338 27.275 -18.387 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.291 30.039 -17.789 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.480 30.005 -19.531 1.00 0.00 H new ATOM 0 HG LEU A 113 78.220 30.236 -19.057 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.186 28.187 -20.060 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.660 28.700 -20.915 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.717 27.320 -19.793 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.852 28.621 -17.760 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.344 27.772 -17.292 1.00 0.00 H new ATOM 0 HD23 LEU A 113 78.074 29.451 -16.768 1.00 0.00 H new ATOM 1506 N ARG A 114 83.038 28.006 -19.925 1.00 0.00 N ATOM 1507 CA ARG A 114 83.895 27.705 -21.086 1.00 0.00 C ATOM 1508 C ARG A 114 84.057 26.196 -21.329 1.00 0.00 C ATOM 1509 O ARG A 114 84.269 25.431 -20.358 1.00 0.00 O ATOM 1510 CB ARG A 114 85.241 28.444 -20.943 1.00 0.00 C ATOM 1511 CG ARG A 114 86.103 28.393 -22.218 1.00 0.00 C ATOM 1512 CD ARG A 114 87.027 27.169 -22.290 1.00 0.00 C ATOM 1513 NE ARG A 114 87.594 27.002 -23.640 1.00 0.00 N ATOM 1514 CZ ARG A 114 87.021 26.402 -24.668 1.00 0.00 C ATOM 1515 NH1 ARG A 114 85.828 25.887 -24.608 1.00 0.00 N ATOM 1516 NH2 ARG A 114 87.657 26.306 -25.800 1.00 0.00 N ATOM 1517 OXT ARG A 114 84.008 25.789 -22.513 1.00 0.00 O ATOM 0 H ARG A 114 83.558 28.394 -19.138 1.00 0.00 H new ATOM 0 HA ARG A 114 83.401 28.076 -21.984 1.00 0.00 H new ATOM 0 HB2 ARG A 114 85.050 29.485 -20.683 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.801 28.007 -20.116 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.448 28.394 -23.089 1.00 0.00 H new ATOM 0 HG3 ARG A 114 86.708 29.298 -22.273 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.834 27.277 -21.566 1.00 0.00 H new ATOM 0 HD3 ARG A 114 86.470 26.274 -22.015 1.00 0.00 H new ATOM 0 HE ARG A 114 88.524 27.389 -23.797 1.00 0.00 H new ATOM 0 HH11 ARG A 114 85.294 25.937 -23.740 1.00 0.00 H new ATOM 0 HH12 ARG A 114 85.427 25.433 -25.429 1.00 0.00 H new ATOM 0 HH21 ARG A 114 88.596 26.694 -25.892 1.00 0.00 H new ATOM 0 HH22 ARG A 114 87.216 25.843 -26.595 1.00 0.00 H new TER 1531 ARG A 114