USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 837 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 12 MET CE :methyl -168:sc= 0 (180deg=-0.0228) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 CYS SG : rot 178:sc= -0.169 USER MOD Set 2.2: A 90 CYS SG : rot -56:sc= 0.0081 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.151 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0804 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00868 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 141:sc=-0.00371 USER MOD Single : A 28 ASN : amide:sc= -0.0726 K(o=-0.073,f=-1.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -160:sc= 0 USER MOD Single : A 46 MET CE :methyl -179:sc= 0 (180deg=-0.00168) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0.428 (180deg=0.33) USER MOD Single : A 55 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.13) USER MOD Single : A 57 THR OG1 : rot -70:sc= 1.64 USER MOD Single : A 64 HIS : no HD1:sc= -0.0911 K(o=-0.091,f=-0.6) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.027 X(o=0.027,f=-0.01) USER MOD Single : A 73 CYS SG : rot 110:sc= -1.56 USER MOD Single : A 76 GLN : amide:sc= -0.38 K(o=-0.38,f=-1.7!) USER MOD Single : A 88 TYR OH : rot -27:sc= -0.336 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot -53:sc= -2.35! USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.209) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -179:sc= -0.366 (180deg=-0.397) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 39:sc= 0.0275 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 33:sc= 0.594 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.592 22.763 -18.281 1.00 0.00 N ATOM 2 CA GLY A 1 29.681 22.826 -17.153 1.00 0.00 C ATOM 3 C GLY A 1 28.380 22.095 -17.417 1.00 0.00 C ATOM 4 O GLY A 1 27.300 22.618 -17.142 1.00 0.00 O ATOM 0 H1 GLY A 1 31.466 23.277 -18.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.819 21.770 -18.489 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.144 23.197 -19.113 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.164 22.396 -16.275 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.467 23.869 -16.920 1.00 0.00 H new ATOM 8 N SER A 2 28.482 20.883 -17.954 1.00 0.00 N ATOM 9 CA SER A 2 27.303 20.082 -18.261 1.00 0.00 C ATOM 10 C SER A 2 26.579 19.669 -16.983 1.00 0.00 C ATOM 11 O SER A 2 27.130 18.953 -16.147 1.00 0.00 O ATOM 12 CB SER A 2 27.699 18.839 -19.060 1.00 0.00 C ATOM 13 OG SER A 2 29.104 18.651 -19.047 1.00 0.00 O ATOM 0 H SER A 2 29.369 20.435 -18.185 1.00 0.00 H new ATOM 0 HA SER A 2 26.627 20.691 -18.861 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.208 17.961 -18.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.352 18.938 -20.088 1.00 0.00 H new ATOM 0 HG SER A 2 29.332 17.849 -19.563 1.00 0.00 H new ATOM 19 N SER A 3 25.339 20.127 -16.839 1.00 0.00 N ATOM 20 CA SER A 3 24.539 19.810 -15.662 1.00 0.00 C ATOM 21 C SER A 3 23.050 19.847 -15.991 1.00 0.00 C ATOM 22 O SER A 3 22.539 20.844 -16.499 1.00 0.00 O ATOM 23 CB SER A 3 24.847 20.792 -14.530 1.00 0.00 C ATOM 24 OG SER A 3 23.938 21.879 -14.537 1.00 0.00 O ATOM 0 H SER A 3 24.867 20.719 -17.523 1.00 0.00 H new ATOM 0 HA SER A 3 24.797 18.801 -15.339 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.794 20.275 -13.572 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.866 21.165 -14.635 1.00 0.00 H new ATOM 0 HG SER A 3 24.155 22.492 -13.803 1.00 0.00 H new ATOM 30 N GLY A 4 22.358 18.749 -15.699 1.00 0.00 N ATOM 31 CA GLY A 4 20.934 18.676 -15.970 1.00 0.00 C ATOM 32 C GLY A 4 20.100 18.702 -14.705 1.00 0.00 C ATOM 33 O GLY A 4 20.576 18.331 -13.632 1.00 0.00 O ATOM 0 H GLY A 4 22.758 17.910 -15.280 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.646 19.511 -16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.719 17.762 -16.524 1.00 0.00 H new ATOM 37 N SER A 5 18.853 19.143 -14.829 1.00 0.00 N ATOM 38 CA SER A 5 17.952 19.222 -13.684 1.00 0.00 C ATOM 39 C SER A 5 18.524 20.137 -12.606 1.00 0.00 C ATOM 40 O SER A 5 18.875 19.686 -11.516 1.00 0.00 O ATOM 41 CB SER A 5 17.704 17.827 -13.107 1.00 0.00 C ATOM 42 OG SER A 5 16.567 17.820 -12.261 1.00 0.00 O ATOM 0 H SER A 5 18.443 19.451 -15.710 1.00 0.00 H new ATOM 0 HA SER A 5 17.005 19.640 -14.025 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.561 17.114 -13.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.580 17.501 -12.547 1.00 0.00 H new ATOM 0 HG SER A 5 16.429 16.917 -11.906 1.00 0.00 H new ATOM 48 N SER A 6 18.613 21.426 -12.918 1.00 0.00 N ATOM 49 CA SER A 6 19.145 22.405 -11.978 1.00 0.00 C ATOM 50 C SER A 6 18.106 22.763 -10.920 1.00 0.00 C ATOM 51 O SER A 6 16.906 22.578 -11.124 1.00 0.00 O ATOM 52 CB SER A 6 19.589 23.667 -12.720 1.00 0.00 C ATOM 53 OG SER A 6 18.606 24.083 -13.652 1.00 0.00 O ATOM 0 H SER A 6 18.323 21.816 -13.815 1.00 0.00 H new ATOM 0 HA SER A 6 20.008 21.962 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.777 24.467 -12.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.529 23.476 -13.238 1.00 0.00 H new ATOM 0 HG SER A 6 18.913 24.892 -14.112 1.00 0.00 H new ATOM 59 N GLY A 7 18.576 23.277 -9.787 1.00 0.00 N ATOM 60 CA GLY A 7 17.675 23.652 -8.713 1.00 0.00 C ATOM 61 C GLY A 7 17.181 22.455 -7.926 1.00 0.00 C ATOM 62 O GLY A 7 17.077 21.351 -8.461 1.00 0.00 O ATOM 0 H GLY A 7 19.564 23.440 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.185 24.341 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.821 24.187 -9.129 1.00 0.00 H new ATOM 66 N ARG A 8 16.875 22.673 -6.651 1.00 0.00 N ATOM 67 CA ARG A 8 16.392 21.602 -5.788 1.00 0.00 C ATOM 68 C ARG A 8 15.294 22.108 -4.856 1.00 0.00 C ATOM 69 O ARG A 8 15.279 21.791 -3.666 1.00 0.00 O ATOM 70 CB ARG A 8 17.544 21.020 -4.966 1.00 0.00 C ATOM 71 CG ARG A 8 17.463 19.513 -4.785 1.00 0.00 C ATOM 72 CD ARG A 8 18.842 18.899 -4.605 1.00 0.00 C ATOM 73 NE ARG A 8 18.959 17.608 -5.279 1.00 0.00 N ATOM 74 CZ ARG A 8 20.109 16.962 -5.433 1.00 0.00 C ATOM 75 NH1 ARG A 8 21.234 17.482 -4.965 1.00 0.00 N ATOM 76 NH2 ARG A 8 20.134 15.791 -6.058 1.00 0.00 N ATOM 0 H ARG A 8 16.953 23.581 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 8 15.976 20.819 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.488 21.269 -5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 8 17.555 21.495 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.845 19.282 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.975 19.067 -5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 8 19.597 19.582 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.047 18.773 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 8 18.111 17.180 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 8 21.219 18.382 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.115 16.983 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.270 15.388 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 8 21.017 15.295 -6.176 1.00 0.00 H new ATOM 90 N THR A 9 14.376 22.897 -5.406 1.00 0.00 N ATOM 91 CA THR A 9 13.276 23.449 -4.625 1.00 0.00 C ATOM 92 C THR A 9 13.792 24.348 -3.507 1.00 0.00 C ATOM 93 O THR A 9 13.898 23.925 -2.356 1.00 0.00 O ATOM 94 CB THR A 9 12.408 22.334 -4.012 1.00 0.00 C ATOM 95 OG1 THR A 9 12.236 21.271 -4.956 1.00 0.00 O ATOM 96 CG2 THR A 9 11.048 22.874 -3.596 1.00 0.00 C ATOM 0 H THR A 9 14.373 23.168 -6.389 1.00 0.00 H new ATOM 0 HA THR A 9 12.667 24.039 -5.310 1.00 0.00 H new ATOM 0 HB THR A 9 12.917 21.954 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.684 20.566 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.453 22.069 -3.166 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.181 23.663 -2.855 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.535 23.278 -4.468 1.00 0.00 H new ATOM 104 N SER A 10 14.110 25.591 -3.853 1.00 0.00 N ATOM 105 CA SER A 10 14.618 26.550 -2.879 1.00 0.00 C ATOM 106 C SER A 10 13.478 27.145 -2.058 1.00 0.00 C ATOM 107 O SER A 10 13.466 27.048 -0.831 1.00 0.00 O ATOM 108 CB SER A 10 15.390 27.666 -3.585 1.00 0.00 C ATOM 109 OG SER A 10 16.382 27.134 -4.446 1.00 0.00 O ATOM 0 H SER A 10 14.025 25.958 -4.801 1.00 0.00 H new ATOM 0 HA SER A 10 15.292 26.023 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.699 28.284 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.857 28.315 -2.844 1.00 0.00 H new ATOM 0 HG SER A 10 16.860 27.867 -4.887 1.00 0.00 H new ATOM 115 N ALA A 11 12.522 27.761 -2.745 1.00 0.00 N ATOM 116 CA ALA A 11 11.376 28.371 -2.081 1.00 0.00 C ATOM 117 C ALA A 11 10.266 27.350 -1.853 1.00 0.00 C ATOM 118 O ALA A 11 9.687 26.827 -2.804 1.00 0.00 O ATOM 119 CB ALA A 11 10.857 29.545 -2.896 1.00 0.00 C ATOM 0 H ALA A 11 12.518 27.851 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 11 11.703 28.736 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.002 29.991 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.645 30.291 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.552 29.196 -3.883 1.00 0.00 H new ATOM 125 N MET A 12 9.975 27.072 -0.586 1.00 0.00 N ATOM 126 CA MET A 12 8.934 26.114 -0.235 1.00 0.00 C ATOM 127 C MET A 12 8.049 26.658 0.882 1.00 0.00 C ATOM 128 O MET A 12 7.631 25.918 1.773 1.00 0.00 O ATOM 129 CB MET A 12 9.558 24.785 0.195 1.00 0.00 C ATOM 130 CG MET A 12 8.721 23.572 -0.177 1.00 0.00 C ATOM 131 SD MET A 12 8.297 22.556 1.251 1.00 0.00 S ATOM 132 CE MET A 12 6.518 22.761 1.296 1.00 0.00 C ATOM 0 H MET A 12 10.445 27.496 0.213 1.00 0.00 H new ATOM 0 HA MET A 12 8.315 25.948 -1.117 1.00 0.00 H new ATOM 0 HB2 MET A 12 10.543 24.691 -0.262 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.708 24.796 1.275 1.00 0.00 H new ATOM 0 HG2 MET A 12 7.805 23.904 -0.667 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.268 22.966 -0.900 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.131 22.374 2.238 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.271 23.819 1.210 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.068 22.215 0.467 1.00 0.00 H new ATOM 142 N LEU A 13 7.767 27.955 0.828 1.00 0.00 N ATOM 143 CA LEU A 13 6.931 28.599 1.835 1.00 0.00 C ATOM 144 C LEU A 13 6.024 29.649 1.201 1.00 0.00 C ATOM 145 O LEU A 13 5.882 30.757 1.719 1.00 0.00 O ATOM 146 CB LEU A 13 7.803 29.246 2.913 1.00 0.00 C ATOM 147 CG LEU A 13 8.904 30.181 2.412 1.00 0.00 C ATOM 148 CD1 LEU A 13 8.894 31.485 3.195 1.00 0.00 C ATOM 149 CD2 LEU A 13 10.265 29.506 2.515 1.00 0.00 C ATOM 0 H LEU A 13 8.105 28.581 0.097 1.00 0.00 H new ATOM 0 HA LEU A 13 6.304 27.834 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.156 29.807 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.266 28.454 3.501 1.00 0.00 H new ATOM 0 HG LEU A 13 8.711 30.409 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.684 32.138 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.929 31.977 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.061 31.276 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.037 30.186 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.466 29.249 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.268 28.600 1.910 1.00 0.00 H new ATOM 161 N THR A 14 5.411 29.292 0.077 1.00 0.00 N ATOM 162 CA THR A 14 4.517 30.202 -0.628 1.00 0.00 C ATOM 163 C THR A 14 3.070 29.999 -0.193 1.00 0.00 C ATOM 164 O THR A 14 2.604 28.868 -0.063 1.00 0.00 O ATOM 165 CB THR A 14 4.613 30.015 -2.154 1.00 0.00 C ATOM 166 OG1 THR A 14 5.743 29.196 -2.477 1.00 0.00 O ATOM 167 CG2 THR A 14 4.737 31.358 -2.857 1.00 0.00 C ATOM 0 H THR A 14 5.517 28.379 -0.365 1.00 0.00 H new ATOM 0 HA THR A 14 4.832 31.214 -0.373 1.00 0.00 H new ATOM 0 HB THR A 14 3.701 29.526 -2.496 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.796 29.080 -3.449 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.803 31.200 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.862 31.968 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.635 31.869 -2.509 1.00 0.00 H new ATOM 175 N VAL A 15 2.364 31.103 0.030 1.00 0.00 N ATOM 176 CA VAL A 15 0.968 31.046 0.449 1.00 0.00 C ATOM 177 C VAL A 15 0.114 30.319 -0.584 1.00 0.00 C ATOM 178 O VAL A 15 0.585 29.989 -1.672 1.00 0.00 O ATOM 179 CB VAL A 15 0.392 32.456 0.676 1.00 0.00 C ATOM 180 CG1 VAL A 15 1.175 33.186 1.756 1.00 0.00 C ATOM 181 CG2 VAL A 15 0.396 33.247 -0.623 1.00 0.00 C ATOM 0 H VAL A 15 2.735 32.047 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 15 0.942 30.496 1.390 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.640 32.358 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.753 34.180 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.116 32.626 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.218 33.275 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.014 34.241 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.418 33.337 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.213 32.731 -1.365 1.00 0.00 H new ATOM 191 N ARG A 16 -1.145 30.074 -0.235 1.00 0.00 N ATOM 192 CA ARG A 16 -2.066 29.386 -1.132 1.00 0.00 C ATOM 193 C ARG A 16 -1.531 28.006 -1.506 1.00 0.00 C ATOM 194 O ARG A 16 -0.790 27.859 -2.477 1.00 0.00 O ATOM 195 CB ARG A 16 -2.296 30.215 -2.396 1.00 0.00 C ATOM 196 CG ARG A 16 -2.915 31.577 -2.127 1.00 0.00 C ATOM 197 CD ARG A 16 -3.820 32.013 -3.269 1.00 0.00 C ATOM 198 NE ARG A 16 -5.192 31.545 -3.089 1.00 0.00 N ATOM 199 CZ ARG A 16 -6.171 31.792 -3.952 1.00 0.00 C ATOM 200 NH1 ARG A 16 -5.931 32.497 -5.049 1.00 0.00 N ATOM 201 NH2 ARG A 16 -7.394 31.332 -3.719 1.00 0.00 N ATOM 0 H ARG A 16 -1.550 30.342 0.662 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.015 29.260 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.344 30.353 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.944 29.658 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.488 31.541 -1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.126 32.315 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.814 33.101 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.427 31.629 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.410 30.999 -2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.992 32.851 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.685 32.685 -5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.583 30.788 -2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.145 31.522 -4.382 1.00 0.00 H new ATOM 215 N ALA A 17 -1.913 26.999 -0.728 1.00 0.00 N ATOM 216 CA ALA A 17 -1.474 25.631 -0.978 1.00 0.00 C ATOM 217 C ALA A 17 -2.226 25.020 -2.155 1.00 0.00 C ATOM 218 O ALA A 17 -2.939 25.716 -2.879 1.00 0.00 O ATOM 219 CB ALA A 17 -1.661 24.780 0.269 1.00 0.00 C ATOM 0 H ALA A 17 -2.526 27.104 0.081 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.414 25.657 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.329 23.761 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.073 25.198 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.715 24.770 0.548 1.00 0.00 H new ATOM 225 N LEU A 18 -2.061 23.715 -2.343 1.00 0.00 N ATOM 226 CA LEU A 18 -2.724 23.010 -3.434 1.00 0.00 C ATOM 227 C LEU A 18 -2.856 21.523 -3.120 1.00 0.00 C ATOM 228 O LEU A 18 -2.129 20.971 -2.294 1.00 0.00 O ATOM 229 CB LEU A 18 -1.947 23.200 -4.738 1.00 0.00 C ATOM 230 CG LEU A 18 -0.423 23.227 -4.614 1.00 0.00 C ATOM 231 CD1 LEU A 18 0.212 22.297 -5.636 1.00 0.00 C ATOM 232 CD2 LEU A 18 0.101 24.645 -4.783 1.00 0.00 C ATOM 0 H LEU A 18 -1.474 23.124 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.724 23.429 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.222 22.397 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.271 24.134 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.153 22.878 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.297 22.329 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.138 21.279 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.067 22.616 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.187 24.645 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.180 25.022 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.328 25.286 -4.012 1.00 0.00 H new ATOM 244 N PRO A 19 -3.804 20.857 -3.796 1.00 0.00 N ATOM 245 CA PRO A 19 -4.051 19.424 -3.609 1.00 0.00 C ATOM 246 C PRO A 19 -2.918 18.563 -4.157 1.00 0.00 C ATOM 247 O PRO A 19 -2.064 19.046 -4.900 1.00 0.00 O ATOM 248 CB PRO A 19 -5.339 19.180 -4.399 1.00 0.00 C ATOM 249 CG PRO A 19 -5.359 20.254 -5.431 1.00 0.00 C ATOM 250 CD PRO A 19 -4.707 21.451 -4.796 1.00 0.00 C ATOM 0 HA PRO A 19 -4.125 19.158 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.341 18.191 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.216 19.235 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.820 19.945 -6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.380 20.482 -5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.161 22.046 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.441 22.110 -4.333 1.00 0.00 H new ATOM 258 N ILE A 20 -2.918 17.288 -3.785 1.00 0.00 N ATOM 259 CA ILE A 20 -1.890 16.360 -4.242 1.00 0.00 C ATOM 260 C ILE A 20 -2.493 15.246 -5.091 1.00 0.00 C ATOM 261 O ILE A 20 -3.508 14.652 -4.727 1.00 0.00 O ATOM 262 CB ILE A 20 -1.131 15.734 -3.057 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.504 16.827 -2.189 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.065 14.772 -3.560 1.00 0.00 C ATOM 265 CD1 ILE A 20 -0.024 16.329 -0.844 1.00 0.00 C ATOM 0 H ILE A 20 -3.617 16.874 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.191 16.936 -4.848 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.839 15.174 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.336 17.268 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.235 17.621 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.463 14.338 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.536 13.978 -4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.643 15.310 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.409 17.157 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.865 15.914 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.731 15.556 -0.990 1.00 0.00 H new ATOM 277 N LYS A 21 -1.860 14.966 -6.225 1.00 0.00 N ATOM 278 CA LYS A 21 -2.330 13.921 -7.126 1.00 0.00 C ATOM 279 C LYS A 21 -1.271 12.838 -7.303 1.00 0.00 C ATOM 280 O LYS A 21 -0.260 12.824 -6.602 1.00 0.00 O ATOM 281 CB LYS A 21 -2.696 14.519 -8.487 1.00 0.00 C ATOM 282 CG LYS A 21 -1.496 15.013 -9.276 1.00 0.00 C ATOM 283 CD LYS A 21 -1.919 15.693 -10.568 1.00 0.00 C ATOM 284 CE LYS A 21 -0.753 15.825 -11.536 1.00 0.00 C ATOM 285 NZ LYS A 21 -0.361 17.247 -11.741 1.00 0.00 N ATOM 0 H LYS A 21 -1.019 15.449 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.217 13.468 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.223 13.767 -9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.388 15.348 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.922 15.712 -8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.839 14.174 -9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.719 15.120 -11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.322 16.681 -10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.101 15.264 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.024 15.381 -12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.437 17.295 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.168 17.777 -12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.078 17.664 -10.831 1.00 0.00 H new ATOM 299 N PHE A 22 -1.510 11.931 -8.245 1.00 0.00 N ATOM 300 CA PHE A 22 -0.577 10.844 -8.514 1.00 0.00 C ATOM 301 C PHE A 22 0.088 11.022 -9.876 1.00 0.00 C ATOM 302 O PHE A 22 -0.560 10.905 -10.917 1.00 0.00 O ATOM 303 CB PHE A 22 -1.300 9.497 -8.460 1.00 0.00 C ATOM 304 CG PHE A 22 -1.206 8.819 -7.123 1.00 0.00 C ATOM 305 CD1 PHE A 22 -0.034 8.193 -6.729 1.00 0.00 C ATOM 306 CD2 PHE A 22 -2.289 8.809 -6.259 1.00 0.00 C ATOM 307 CE1 PHE A 22 0.054 7.568 -5.500 1.00 0.00 C ATOM 308 CE2 PHE A 22 -2.206 8.187 -5.027 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.032 7.566 -4.647 1.00 0.00 C ATOM 0 H PHE A 22 -2.342 11.928 -8.835 1.00 0.00 H new ATOM 0 HA PHE A 22 0.196 10.865 -7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.350 9.647 -8.709 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.883 8.839 -9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.820 8.194 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.209 9.293 -6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.972 7.081 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.058 8.187 -4.363 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.964 7.080 -3.685 1.00 0.00 H new ATOM 319 N THR A 23 1.386 11.308 -9.862 1.00 0.00 N ATOM 320 CA THR A 23 2.140 11.505 -11.094 1.00 0.00 C ATOM 321 C THR A 23 2.352 10.185 -11.825 1.00 0.00 C ATOM 322 O THR A 23 2.440 10.152 -13.052 1.00 0.00 O ATOM 323 CB THR A 23 3.510 12.152 -10.817 1.00 0.00 C ATOM 324 OG1 THR A 23 4.310 11.279 -10.013 1.00 0.00 O ATOM 325 CG2 THR A 23 3.344 13.490 -10.113 1.00 0.00 C ATOM 0 H THR A 23 1.938 11.408 -9.010 1.00 0.00 H new ATOM 0 HA THR A 23 1.551 12.174 -11.722 1.00 0.00 H new ATOM 0 HB THR A 23 4.007 12.322 -11.772 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.240 11.312 -10.320 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.325 13.928 -9.928 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.759 14.162 -10.742 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.829 13.340 -9.164 1.00 0.00 H new ATOM 333 N GLU A 24 2.432 9.098 -11.064 1.00 0.00 N ATOM 334 CA GLU A 24 2.635 7.774 -11.642 1.00 0.00 C ATOM 335 C GLU A 24 1.933 6.704 -10.810 1.00 0.00 C ATOM 336 O GLU A 24 2.552 6.049 -9.973 1.00 0.00 O ATOM 337 CB GLU A 24 4.129 7.460 -11.742 1.00 0.00 C ATOM 338 CG GLU A 24 4.758 7.903 -13.052 1.00 0.00 C ATOM 339 CD GLU A 24 6.233 7.562 -13.137 1.00 0.00 C ATOM 340 OE1 GLU A 24 7.033 8.210 -12.432 1.00 0.00 O ATOM 341 OE2 GLU A 24 6.585 6.645 -13.908 1.00 0.00 O ATOM 0 H GLU A 24 2.359 9.108 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 24 2.204 7.772 -12.643 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.650 7.945 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.275 6.386 -11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.232 7.431 -13.881 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.631 8.980 -13.166 1.00 0.00 H new ATOM 348 N GLY A 25 0.636 6.535 -11.047 1.00 0.00 N ATOM 349 CA GLY A 25 -0.129 5.544 -10.312 1.00 0.00 C ATOM 350 C GLY A 25 0.477 4.158 -10.405 1.00 0.00 C ATOM 351 O GLY A 25 1.372 3.916 -11.216 1.00 0.00 O ATOM 0 H GLY A 25 0.101 7.066 -11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.191 5.841 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.149 5.518 -10.697 1.00 0.00 H new ATOM 355 N LEU A 26 -0.009 3.245 -9.571 1.00 0.00 N ATOM 356 CA LEU A 26 0.492 1.875 -9.561 1.00 0.00 C ATOM 357 C LEU A 26 0.280 1.207 -10.916 1.00 0.00 C ATOM 358 O LEU A 26 -0.631 1.569 -11.661 1.00 0.00 O ATOM 359 CB LEU A 26 -0.205 1.065 -8.466 1.00 0.00 C ATOM 360 CG LEU A 26 -0.052 1.593 -7.039 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.152 1.043 -6.145 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.319 1.237 -6.483 1.00 0.00 C ATOM 0 H LEU A 26 -0.749 3.429 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 26 1.562 1.907 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.268 1.014 -8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.178 0.045 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.141 2.679 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.026 1.430 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.123 1.350 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.096 -0.045 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.410 1.621 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.438 0.154 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.092 1.682 -7.109 1.00 0.00 H new ATOM 374 N ARG A 27 1.125 0.230 -11.227 1.00 0.00 N ATOM 375 CA ARG A 27 1.029 -0.489 -12.491 1.00 0.00 C ATOM 376 C ARG A 27 0.876 -1.989 -12.254 1.00 0.00 C ATOM 377 O ARG A 27 1.391 -2.528 -11.275 1.00 0.00 O ATOM 378 CB ARG A 27 2.267 -0.221 -13.349 1.00 0.00 C ATOM 379 CG ARG A 27 3.577 -0.507 -12.634 1.00 0.00 C ATOM 380 CD ARG A 27 4.417 0.751 -12.485 1.00 0.00 C ATOM 381 NE ARG A 27 5.671 0.493 -11.783 1.00 0.00 N ATOM 382 CZ ARG A 27 6.620 1.407 -11.611 1.00 0.00 C ATOM 383 NH1 ARG A 27 6.457 2.633 -12.088 1.00 0.00 N ATOM 384 NH2 ARG A 27 7.733 1.095 -10.961 1.00 0.00 N ATOM 0 H ARG A 27 1.884 -0.082 -10.621 1.00 0.00 H new ATOM 0 HA ARG A 27 0.145 -0.130 -13.018 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.214 -0.832 -14.250 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.258 0.821 -13.670 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.371 -0.927 -11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.139 -1.258 -13.189 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.632 1.162 -13.471 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.847 1.505 -11.943 1.00 0.00 H new ATOM 0 HE ARG A 27 5.827 -0.441 -11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.602 2.876 -12.588 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.187 3.333 -11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.861 0.153 -10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.461 1.797 -10.830 1.00 0.00 H new ATOM 398 N ASN A 28 0.165 -2.656 -13.157 1.00 0.00 N ATOM 399 CA ASN A 28 -0.056 -4.093 -13.045 1.00 0.00 C ATOM 400 C ASN A 28 1.265 -4.853 -13.101 1.00 0.00 C ATOM 401 O ASN A 28 1.841 -5.037 -14.173 1.00 0.00 O ATOM 402 CB ASN A 28 -0.983 -4.576 -14.163 1.00 0.00 C ATOM 403 CG ASN A 28 -2.252 -3.751 -14.259 1.00 0.00 C ATOM 404 OD1 ASN A 28 -2.876 -3.432 -13.246 1.00 0.00 O ATOM 405 ND2 ASN A 28 -2.641 -3.402 -15.480 1.00 0.00 N ATOM 0 H ASN A 28 -0.268 -2.225 -13.974 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.526 -4.289 -12.081 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.453 -4.534 -15.114 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.244 -5.620 -13.989 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.488 -2.847 -15.606 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.093 -3.688 -16.291 1.00 0.00 H new ATOM 412 N GLU A 29 1.738 -5.293 -11.939 1.00 0.00 N ATOM 413 CA GLU A 29 2.992 -6.033 -11.857 1.00 0.00 C ATOM 414 C GLU A 29 2.732 -7.524 -11.662 1.00 0.00 C ATOM 415 O GLU A 29 1.797 -7.915 -10.964 1.00 0.00 O ATOM 416 CB GLU A 29 3.850 -5.499 -10.708 1.00 0.00 C ATOM 417 CG GLU A 29 5.171 -6.233 -10.543 1.00 0.00 C ATOM 418 CD GLU A 29 5.955 -6.320 -11.838 1.00 0.00 C ATOM 419 OE1 GLU A 29 6.319 -5.257 -12.383 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.205 -7.450 -12.306 1.00 0.00 O ATOM 0 H GLU A 29 1.273 -5.150 -11.043 1.00 0.00 H new ATOM 0 HA GLU A 29 3.528 -5.895 -12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.050 -4.441 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.285 -5.572 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.774 -5.724 -9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.979 -7.239 -10.170 1.00 0.00 H new ATOM 427 N GLU A 30 3.566 -8.350 -12.285 1.00 0.00 N ATOM 428 CA GLU A 30 3.425 -9.798 -12.181 1.00 0.00 C ATOM 429 C GLU A 30 4.679 -10.425 -11.577 1.00 0.00 C ATOM 430 O GLU A 30 5.800 -10.054 -11.924 1.00 0.00 O ATOM 431 CB GLU A 30 3.151 -10.406 -13.558 1.00 0.00 C ATOM 432 CG GLU A 30 3.172 -11.925 -13.568 1.00 0.00 C ATOM 433 CD GLU A 30 4.461 -12.487 -14.135 1.00 0.00 C ATOM 434 OE1 GLU A 30 5.462 -12.545 -13.391 1.00 0.00 O ATOM 435 OE2 GLU A 30 4.469 -12.870 -15.324 1.00 0.00 O ATOM 0 H GLU A 30 4.346 -8.042 -12.866 1.00 0.00 H new ATOM 0 HA GLU A 30 2.581 -10.009 -11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.179 -10.062 -13.911 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.895 -10.036 -14.264 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.036 -12.293 -12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.330 -12.292 -14.155 1.00 0.00 H new ATOM 442 N ALA A 31 4.479 -11.376 -10.671 1.00 0.00 N ATOM 443 CA ALA A 31 5.592 -12.056 -10.019 1.00 0.00 C ATOM 444 C ALA A 31 5.418 -13.569 -10.071 1.00 0.00 C ATOM 445 O ALA A 31 4.349 -14.070 -10.422 1.00 0.00 O ATOM 446 CB ALA A 31 5.726 -11.587 -8.578 1.00 0.00 C ATOM 0 H ALA A 31 3.557 -11.693 -10.372 1.00 0.00 H new ATOM 0 HA ALA A 31 6.505 -11.804 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.561 -12.103 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.907 -10.512 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.807 -11.809 -8.036 1.00 0.00 H new ATOM 452 N THR A 32 6.475 -14.295 -9.720 1.00 0.00 N ATOM 453 CA THR A 32 6.439 -15.752 -9.729 1.00 0.00 C ATOM 454 C THR A 32 6.366 -16.309 -8.312 1.00 0.00 C ATOM 455 O THR A 32 6.920 -15.728 -7.379 1.00 0.00 O ATOM 456 CB THR A 32 7.674 -16.340 -10.437 1.00 0.00 C ATOM 457 OG1 THR A 32 7.823 -15.750 -11.733 1.00 0.00 O ATOM 458 CG2 THR A 32 7.551 -17.851 -10.573 1.00 0.00 C ATOM 0 H THR A 32 7.367 -13.897 -9.426 1.00 0.00 H new ATOM 0 HA THR A 32 5.543 -16.043 -10.277 1.00 0.00 H new ATOM 0 HB THR A 32 8.553 -16.115 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.611 -16.128 -12.176 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.435 -18.244 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.467 -18.300 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.663 -18.093 -11.157 1.00 0.00 H new ATOM 466 N GLU A 33 5.681 -17.438 -8.158 1.00 0.00 N ATOM 467 CA GLU A 33 5.538 -18.072 -6.853 1.00 0.00 C ATOM 468 C GLU A 33 6.902 -18.317 -6.214 1.00 0.00 C ATOM 469 O GLU A 33 7.850 -18.722 -6.885 1.00 0.00 O ATOM 470 CB GLU A 33 4.779 -19.394 -6.985 1.00 0.00 C ATOM 471 CG GLU A 33 3.634 -19.539 -5.997 1.00 0.00 C ATOM 472 CD GLU A 33 3.356 -20.985 -5.634 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.158 -21.802 -6.558 1.00 0.00 O ATOM 474 OE2 GLU A 33 3.337 -21.300 -4.425 1.00 0.00 O ATOM 0 H GLU A 33 5.217 -17.932 -8.920 1.00 0.00 H new ATOM 0 HA GLU A 33 4.971 -17.398 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.386 -19.478 -7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.477 -20.220 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.868 -18.979 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.734 -19.096 -6.422 1.00 0.00 H new ATOM 481 N GLY A 34 6.992 -18.066 -4.911 1.00 0.00 N ATOM 482 CA GLY A 34 8.243 -18.264 -4.203 1.00 0.00 C ATOM 483 C GLY A 34 9.257 -17.178 -4.502 1.00 0.00 C ATOM 484 O GLY A 34 10.456 -17.365 -4.296 1.00 0.00 O ATOM 0 H GLY A 34 6.221 -17.729 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.050 -18.291 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.662 -19.233 -4.476 1.00 0.00 H new ATOM 488 N ALA A 35 8.775 -16.040 -4.990 1.00 0.00 N ATOM 489 CA ALA A 35 9.648 -14.919 -5.318 1.00 0.00 C ATOM 490 C ALA A 35 9.342 -13.710 -4.441 1.00 0.00 C ATOM 491 O ALA A 35 8.587 -13.806 -3.473 1.00 0.00 O ATOM 492 CB ALA A 35 9.511 -14.556 -6.789 1.00 0.00 C ATOM 0 H ALA A 35 7.785 -15.870 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 35 10.677 -15.223 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.168 -13.718 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.787 -15.413 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.479 -14.276 -7.000 1.00 0.00 H new ATOM 498 N THR A 36 9.932 -12.570 -4.786 1.00 0.00 N ATOM 499 CA THR A 36 9.724 -11.342 -4.030 1.00 0.00 C ATOM 500 C THR A 36 9.103 -10.257 -4.902 1.00 0.00 C ATOM 501 O THR A 36 9.740 -9.750 -5.825 1.00 0.00 O ATOM 502 CB THR A 36 11.045 -10.815 -3.438 1.00 0.00 C ATOM 503 OG1 THR A 36 11.766 -11.886 -2.819 1.00 0.00 O ATOM 504 CG2 THR A 36 10.781 -9.718 -2.417 1.00 0.00 C ATOM 0 H THR A 36 10.558 -12.472 -5.585 1.00 0.00 H new ATOM 0 HA THR A 36 9.041 -11.585 -3.216 1.00 0.00 H new ATOM 0 HB THR A 36 11.641 -10.398 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.605 -11.543 -2.447 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.728 -9.362 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.258 -8.892 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.167 -10.114 -1.608 1.00 0.00 H new ATOM 512 N ALA A 37 7.857 -9.905 -4.604 1.00 0.00 N ATOM 513 CA ALA A 37 7.151 -8.878 -5.361 1.00 0.00 C ATOM 514 C ALA A 37 7.210 -7.532 -4.646 1.00 0.00 C ATOM 515 O ALA A 37 7.055 -7.457 -3.427 1.00 0.00 O ATOM 516 CB ALA A 37 5.705 -9.292 -5.591 1.00 0.00 C ATOM 0 H ALA A 37 7.315 -10.316 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 37 7.644 -8.770 -6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.190 -8.516 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.679 -10.227 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.209 -9.430 -4.630 1.00 0.00 H new ATOM 522 N VAL A 38 7.437 -6.470 -5.413 1.00 0.00 N ATOM 523 CA VAL A 38 7.517 -5.126 -4.853 1.00 0.00 C ATOM 524 C VAL A 38 6.952 -4.093 -5.822 1.00 0.00 C ATOM 525 O VAL A 38 7.391 -3.996 -6.968 1.00 0.00 O ATOM 526 CB VAL A 38 8.969 -4.748 -4.506 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.863 -4.881 -5.729 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.031 -3.337 -3.940 1.00 0.00 C ATOM 0 H VAL A 38 7.569 -6.514 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 38 6.922 -5.127 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 38 9.333 -5.437 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.885 -4.610 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.842 -5.911 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.504 -4.218 -6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.064 -3.086 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.648 -2.632 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.425 -3.281 -3.036 1.00 0.00 H new ATOM 538 N LEU A 39 5.977 -3.323 -5.353 1.00 0.00 N ATOM 539 CA LEU A 39 5.351 -2.295 -6.178 1.00 0.00 C ATOM 540 C LEU A 39 5.903 -0.914 -5.838 1.00 0.00 C ATOM 541 O LEU A 39 6.244 -0.636 -4.689 1.00 0.00 O ATOM 542 CB LEU A 39 3.834 -2.312 -5.985 1.00 0.00 C ATOM 543 CG LEU A 39 3.127 -3.622 -6.333 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.136 -4.001 -5.244 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.426 -3.508 -7.679 1.00 0.00 C ATOM 0 H LEU A 39 5.603 -3.390 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 39 5.580 -2.511 -7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.618 -2.071 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.402 -1.517 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 39 3.877 -4.410 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.643 -4.936 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.664 -4.125 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.389 -3.214 -5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.928 -4.449 -7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.687 -2.707 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.160 -3.285 -8.454 1.00 0.00 H new ATOM 557 N ARG A 40 5.985 -0.051 -6.846 1.00 0.00 N ATOM 558 CA ARG A 40 6.495 1.301 -6.654 1.00 0.00 C ATOM 559 C ARG A 40 5.561 2.329 -7.288 1.00 0.00 C ATOM 560 O ARG A 40 4.918 2.055 -8.302 1.00 0.00 O ATOM 561 CB ARG A 40 7.896 1.431 -7.253 1.00 0.00 C ATOM 562 CG ARG A 40 8.865 0.363 -6.774 1.00 0.00 C ATOM 563 CD ARG A 40 9.024 -0.746 -7.802 1.00 0.00 C ATOM 564 NE ARG A 40 10.172 -0.521 -8.676 1.00 0.00 N ATOM 565 CZ ARG A 40 11.434 -0.624 -8.274 1.00 0.00 C ATOM 566 NH1 ARG A 40 11.708 -0.947 -7.017 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.425 -0.404 -9.129 1.00 0.00 N ATOM 0 H ARG A 40 5.705 -0.264 -7.803 1.00 0.00 H new ATOM 0 HA ARG A 40 6.547 1.494 -5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.823 1.382 -8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.299 2.413 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.836 0.815 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.508 -0.059 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.140 -1.701 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.118 -0.815 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 40 9.995 -0.271 -9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.949 -1.117 -6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.678 -1.026 -6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.218 -0.155 -10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.393 -0.483 -8.819 1.00 0.00 H new ATOM 581 N CYS A 41 5.493 3.510 -6.684 1.00 0.00 N ATOM 582 CA CYS A 41 4.637 4.578 -7.189 1.00 0.00 C ATOM 583 C CYS A 41 5.183 5.946 -6.791 1.00 0.00 C ATOM 584 O CYS A 41 5.870 6.079 -5.779 1.00 0.00 O ATOM 585 CB CYS A 41 3.212 4.411 -6.661 1.00 0.00 C ATOM 586 SG CYS A 41 3.060 4.612 -4.870 1.00 0.00 S ATOM 0 H CYS A 41 6.020 3.752 -5.845 1.00 0.00 H new ATOM 0 HA CYS A 41 4.623 4.515 -8.277 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.566 5.138 -7.154 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.847 3.422 -6.937 1.00 0.00 H new ATOM 0 HG CYS A 41 1.812 4.493 -4.524 1.00 0.00 H new ATOM 592 N GLU A 42 4.873 6.958 -7.595 1.00 0.00 N ATOM 593 CA GLU A 42 5.335 8.315 -7.327 1.00 0.00 C ATOM 594 C GLU A 42 4.155 9.255 -7.094 1.00 0.00 C ATOM 595 O GLU A 42 3.090 9.093 -7.691 1.00 0.00 O ATOM 596 CB GLU A 42 6.187 8.826 -8.491 1.00 0.00 C ATOM 597 CG GLU A 42 6.831 10.177 -8.226 1.00 0.00 C ATOM 598 CD GLU A 42 7.885 10.532 -9.256 1.00 0.00 C ATOM 599 OE1 GLU A 42 7.513 10.789 -10.420 1.00 0.00 O ATOM 600 OE2 GLU A 42 9.081 10.554 -8.898 1.00 0.00 O ATOM 0 H GLU A 42 4.304 6.864 -8.437 1.00 0.00 H new ATOM 0 HA GLU A 42 5.944 8.293 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.968 8.097 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.564 8.898 -9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.060 10.948 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.284 10.171 -7.235 1.00 0.00 H new ATOM 607 N LEU A 43 4.353 10.237 -6.222 1.00 0.00 N ATOM 608 CA LEU A 43 3.307 11.204 -5.908 1.00 0.00 C ATOM 609 C LEU A 43 3.711 12.607 -6.350 1.00 0.00 C ATOM 610 O LEU A 43 4.869 12.851 -6.690 1.00 0.00 O ATOM 611 CB LEU A 43 3.011 11.195 -4.407 1.00 0.00 C ATOM 612 CG LEU A 43 2.023 10.132 -3.924 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.218 9.857 -2.441 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.592 10.568 -4.204 1.00 0.00 C ATOM 0 H LEU A 43 5.228 10.385 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 43 2.407 10.917 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.951 11.058 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.625 12.175 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 43 2.214 9.209 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.507 9.098 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.233 9.501 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.054 10.775 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.098 9.800 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.388 11.503 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.459 10.713 -5.276 1.00 0.00 H new ATOM 626 N SER A 44 2.750 13.525 -6.340 1.00 0.00 N ATOM 627 CA SER A 44 3.006 14.903 -6.741 1.00 0.00 C ATOM 628 C SER A 44 3.761 15.656 -5.650 1.00 0.00 C ATOM 629 O SER A 44 4.507 16.594 -5.929 1.00 0.00 O ATOM 630 CB SER A 44 1.690 15.618 -7.052 1.00 0.00 C ATOM 631 OG SER A 44 1.662 16.075 -8.393 1.00 0.00 O ATOM 0 H SER A 44 1.787 13.339 -6.059 1.00 0.00 H new ATOM 0 HA SER A 44 3.623 14.885 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.854 14.940 -6.878 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.562 16.462 -6.374 1.00 0.00 H new ATOM 0 HG SER A 44 0.988 16.781 -8.484 1.00 0.00 H new ATOM 637 N LYS A 45 3.563 15.236 -4.405 1.00 0.00 N ATOM 638 CA LYS A 45 4.224 15.868 -3.270 1.00 0.00 C ATOM 639 C LYS A 45 4.299 14.912 -2.083 1.00 0.00 C ATOM 640 O LYS A 45 3.564 13.927 -2.020 1.00 0.00 O ATOM 641 CB LYS A 45 3.482 17.143 -2.864 1.00 0.00 C ATOM 642 CG LYS A 45 4.385 18.356 -2.731 1.00 0.00 C ATOM 643 CD LYS A 45 3.613 19.577 -2.260 1.00 0.00 C ATOM 644 CE LYS A 45 3.704 19.747 -0.751 1.00 0.00 C ATOM 645 NZ LYS A 45 3.364 21.134 -0.328 1.00 0.00 N ATOM 0 H LYS A 45 2.949 14.460 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 45 5.239 16.127 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.710 17.355 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.976 16.972 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.188 18.138 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.854 18.569 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.004 20.468 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.568 19.483 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.029 19.043 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.713 19.503 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.438 21.209 0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.024 21.804 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.392 21.359 -0.623 1.00 0.00 H new ATOM 659 N MET A 46 5.191 15.210 -1.144 1.00 0.00 N ATOM 660 CA MET A 46 5.360 14.378 0.042 1.00 0.00 C ATOM 661 C MET A 46 4.103 14.402 0.905 1.00 0.00 C ATOM 662 O MET A 46 3.599 15.469 1.255 1.00 0.00 O ATOM 663 CB MET A 46 6.563 14.854 0.858 1.00 0.00 C ATOM 664 CG MET A 46 6.887 13.956 2.041 1.00 0.00 C ATOM 665 SD MET A 46 7.091 14.879 3.577 1.00 0.00 S ATOM 666 CE MET A 46 8.583 15.805 3.220 1.00 0.00 C ATOM 0 H MET A 46 5.808 16.021 -1.181 1.00 0.00 H new ATOM 0 HA MET A 46 5.536 13.353 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.435 14.911 0.206 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.370 15.864 1.221 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.090 13.223 2.165 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.801 13.400 1.831 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.850 16.413 4.085 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.396 15.114 2.998 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.412 16.453 2.360 1.00 0.00 H new ATOM 676 N ALA A 47 3.601 13.219 1.246 1.00 0.00 N ATOM 677 CA ALA A 47 2.405 13.106 2.070 1.00 0.00 C ATOM 678 C ALA A 47 2.191 11.668 2.533 1.00 0.00 C ATOM 679 O ALA A 47 2.726 10.720 1.958 1.00 0.00 O ATOM 680 CB ALA A 47 1.187 13.602 1.304 1.00 0.00 C ATOM 0 H ALA A 47 4.005 12.326 0.964 1.00 0.00 H new ATOM 0 HA ALA A 47 2.543 13.728 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.301 13.512 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.331 14.647 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.056 13.003 0.403 1.00 0.00 H new ATOM 686 N PRO A 48 1.392 11.501 3.597 1.00 0.00 N ATOM 687 CA PRO A 48 1.090 10.182 4.160 1.00 0.00 C ATOM 688 C PRO A 48 0.205 9.347 3.241 1.00 0.00 C ATOM 689 O PRO A 48 -0.820 9.822 2.750 1.00 0.00 O ATOM 690 CB PRO A 48 0.351 10.511 5.460 1.00 0.00 C ATOM 691 CG PRO A 48 -0.243 11.857 5.226 1.00 0.00 C ATOM 692 CD PRO A 48 0.721 12.586 4.332 1.00 0.00 C ATOM 0 HA PRO A 48 1.991 9.586 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.419 9.770 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.032 10.521 6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.224 11.775 4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.383 12.390 6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.205 13.269 3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.431 13.181 4.907 1.00 0.00 H new ATOM 700 N VAL A 49 0.606 8.101 3.011 1.00 0.00 N ATOM 701 CA VAL A 49 -0.153 7.200 2.152 1.00 0.00 C ATOM 702 C VAL A 49 -0.677 6.003 2.937 1.00 0.00 C ATOM 703 O VAL A 49 -0.220 5.728 4.046 1.00 0.00 O ATOM 704 CB VAL A 49 0.703 6.694 0.975 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.071 7.843 0.049 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.951 5.992 1.489 1.00 0.00 C ATOM 0 H VAL A 49 1.452 7.692 3.408 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.995 7.770 1.761 1.00 0.00 H new ATOM 0 HB VAL A 49 0.117 5.974 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.675 7.466 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.162 8.298 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.639 8.590 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.545 5.641 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.542 6.689 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.662 5.143 2.108 1.00 0.00 H new ATOM 716 N GLU A 50 -1.639 5.294 2.353 1.00 0.00 N ATOM 717 CA GLU A 50 -2.225 4.126 2.999 1.00 0.00 C ATOM 718 C GLU A 50 -2.461 3.007 1.989 1.00 0.00 C ATOM 719 O GLU A 50 -3.139 3.200 0.980 1.00 0.00 O ATOM 720 CB GLU A 50 -3.543 4.500 3.680 1.00 0.00 C ATOM 721 CG GLU A 50 -3.367 5.387 4.901 1.00 0.00 C ATOM 722 CD GLU A 50 -3.529 6.860 4.581 1.00 0.00 C ATOM 723 OE1 GLU A 50 -3.426 7.222 3.391 1.00 0.00 O ATOM 724 OE2 GLU A 50 -3.759 7.650 5.520 1.00 0.00 O ATOM 0 H GLU A 50 -2.028 5.508 1.435 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.523 3.769 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.182 5.010 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.061 3.588 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.095 5.102 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.378 5.219 5.328 1.00 0.00 H new ATOM 731 N TRP A 51 -1.897 1.838 2.268 1.00 0.00 N ATOM 732 CA TRP A 51 -2.046 0.687 1.384 1.00 0.00 C ATOM 733 C TRP A 51 -3.224 -0.181 1.813 1.00 0.00 C ATOM 734 O TRP A 51 -3.320 -0.583 2.973 1.00 0.00 O ATOM 735 CB TRP A 51 -0.761 -0.144 1.375 1.00 0.00 C ATOM 736 CG TRP A 51 0.411 0.583 0.788 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.222 1.479 1.425 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.903 0.476 -0.552 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.188 1.936 0.561 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.014 1.335 -0.658 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.514 -0.263 -1.672 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.737 1.474 -1.840 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.232 -0.124 -2.845 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.334 0.738 -2.921 1.00 0.00 C ATOM 0 H TRP A 51 -1.332 1.661 3.099 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.239 1.056 0.377 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.521 -0.441 2.396 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.933 -1.060 0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.119 1.783 2.456 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.916 2.613 0.790 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.333 -0.931 -1.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.586 2.139 -1.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.939 -0.689 -3.717 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.876 0.823 -3.851 1.00 0.00 H new ATOM 755 N TRP A 52 -4.116 -0.466 0.872 1.00 0.00 N ATOM 756 CA TRP A 52 -5.288 -1.287 1.154 1.00 0.00 C ATOM 757 C TRP A 52 -5.332 -2.506 0.239 1.00 0.00 C ATOM 758 O TRP A 52 -4.929 -2.437 -0.923 1.00 0.00 O ATOM 759 CB TRP A 52 -6.566 -0.463 0.988 1.00 0.00 C ATOM 760 CG TRP A 52 -6.765 0.549 2.076 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.168 1.773 2.177 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.620 0.422 3.218 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.600 2.415 3.313 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.492 1.607 3.968 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.482 -0.576 3.678 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.193 1.818 5.152 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.177 -0.366 4.854 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.030 0.824 5.580 1.00 0.00 C ATOM 0 H TRP A 52 -4.051 -0.141 -0.093 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.219 -1.633 2.185 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.538 0.049 0.026 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.423 -1.136 0.966 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.460 2.177 1.468 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.305 3.342 3.619 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.603 -1.495 3.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.080 2.734 5.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.845 -1.132 5.220 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.588 0.959 6.495 1.00 0.00 H new ATOM 779 N LYS A 53 -5.824 -3.620 0.768 1.00 0.00 N ATOM 780 CA LYS A 53 -5.923 -4.855 -0.002 1.00 0.00 C ATOM 781 C LYS A 53 -7.245 -5.563 0.273 1.00 0.00 C ATOM 782 O LYS A 53 -7.366 -6.324 1.232 1.00 0.00 O ATOM 783 CB LYS A 53 -4.755 -5.785 0.335 1.00 0.00 C ATOM 784 CG LYS A 53 -4.778 -7.094 -0.435 1.00 0.00 C ATOM 785 CD LYS A 53 -3.560 -7.947 -0.121 1.00 0.00 C ATOM 786 CE LYS A 53 -3.574 -9.249 -0.907 1.00 0.00 C ATOM 787 NZ LYS A 53 -4.619 -10.186 -0.410 1.00 0.00 N ATOM 0 H LYS A 53 -6.161 -3.694 1.728 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.882 -4.598 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.818 -5.268 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.770 -6.001 1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.684 -7.647 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.813 -6.887 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.653 -7.389 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.533 -8.165 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.750 -9.035 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.596 -9.726 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.458 -11.131 -0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.573 -10.239 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.558 -9.843 -0.697 1.00 0.00 H new ATOM 801 N GLY A 54 -8.236 -5.308 -0.577 1.00 0.00 N ATOM 802 CA GLY A 54 -9.536 -5.930 -0.410 1.00 0.00 C ATOM 803 C GLY A 54 -10.277 -5.406 0.804 1.00 0.00 C ATOM 804 O GLY A 54 -10.595 -6.163 1.722 1.00 0.00 O ATOM 0 H GLY A 54 -8.161 -4.681 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.137 -5.754 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.410 -7.009 -0.318 1.00 0.00 H new ATOM 808 N HIS A 55 -10.553 -4.106 0.811 1.00 0.00 N ATOM 809 CA HIS A 55 -11.261 -3.480 1.923 1.00 0.00 C ATOM 810 C HIS A 55 -10.570 -3.786 3.248 1.00 0.00 C ATOM 811 O HIS A 55 -11.225 -3.945 4.278 1.00 0.00 O ATOM 812 CB HIS A 55 -12.711 -3.963 1.967 1.00 0.00 C ATOM 813 CG HIS A 55 -13.558 -3.417 0.859 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.569 -2.084 0.507 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.425 -4.033 0.022 1.00 0.00 C ATOM 816 CE1 HIS A 55 -14.407 -1.903 -0.498 1.00 0.00 C ATOM 817 NE2 HIS A 55 -14.939 -3.071 -0.812 1.00 0.00 N ATOM 0 H HIS A 55 -10.297 -3.465 0.060 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.249 -2.401 1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.724 -5.052 1.920 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.151 -3.679 2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.667 -5.085 0.012 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -14.621 -0.961 -0.981 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.621 -3.232 -1.553 1.00 0.00 H new ATOM 825 N GLU A 56 -9.243 -3.868 3.213 1.00 0.00 N ATOM 826 CA GLU A 56 -8.465 -4.157 4.412 1.00 0.00 C ATOM 827 C GLU A 56 -7.174 -3.343 4.432 1.00 0.00 C ATOM 828 O GLU A 56 -6.516 -3.175 3.404 1.00 0.00 O ATOM 829 CB GLU A 56 -8.140 -5.650 4.489 1.00 0.00 C ATOM 830 CG GLU A 56 -7.384 -6.045 5.746 1.00 0.00 C ATOM 831 CD GLU A 56 -7.739 -7.439 6.227 1.00 0.00 C ATOM 832 OE1 GLU A 56 -8.908 -7.655 6.610 1.00 0.00 O ATOM 833 OE2 GLU A 56 -6.847 -8.313 6.221 1.00 0.00 O ATOM 0 H GLU A 56 -8.685 -3.739 2.369 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.064 -3.878 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.069 -6.218 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.549 -5.930 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.313 -5.993 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.600 -5.326 6.536 1.00 0.00 H new ATOM 840 N THR A 57 -6.817 -2.839 5.609 1.00 0.00 N ATOM 841 CA THR A 57 -5.607 -2.041 5.764 1.00 0.00 C ATOM 842 C THR A 57 -4.399 -2.925 6.051 1.00 0.00 C ATOM 843 O THR A 57 -4.503 -3.925 6.763 1.00 0.00 O ATOM 844 CB THR A 57 -5.756 -1.010 6.898 1.00 0.00 C ATOM 845 OG1 THR A 57 -7.130 -0.899 7.282 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.234 0.352 6.463 1.00 0.00 C ATOM 0 H THR A 57 -7.349 -2.969 6.469 1.00 0.00 H new ATOM 0 HA THR A 57 -5.453 -1.514 4.822 1.00 0.00 H new ATOM 0 HB THR A 57 -5.168 -1.352 7.750 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.635 -0.457 6.568 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.350 1.064 7.280 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.180 0.270 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.799 0.699 5.597 1.00 0.00 H new ATOM 854 N LEU A 58 -3.253 -2.552 5.493 1.00 0.00 N ATOM 855 CA LEU A 58 -2.023 -3.311 5.691 1.00 0.00 C ATOM 856 C LEU A 58 -1.122 -2.632 6.718 1.00 0.00 C ATOM 857 O LEU A 58 -1.267 -1.441 6.994 1.00 0.00 O ATOM 858 CB LEU A 58 -1.276 -3.464 4.364 1.00 0.00 C ATOM 859 CG LEU A 58 -2.120 -3.900 3.166 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.322 -3.776 1.877 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.616 -5.327 3.353 1.00 0.00 C ATOM 0 H LEU A 58 -3.150 -1.729 4.900 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.292 -4.298 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.804 -2.511 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.475 -4.190 4.502 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.986 -3.242 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.939 -4.091 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.017 -2.739 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.437 -4.409 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.215 -5.620 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.763 -5.999 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.226 -5.385 4.255 1.00 0.00 H new ATOM 873 N ARG A 59 -0.192 -3.397 7.279 1.00 0.00 N ATOM 874 CA ARG A 59 0.733 -2.869 8.275 1.00 0.00 C ATOM 875 C ARG A 59 2.179 -3.146 7.875 1.00 0.00 C ATOM 876 O ARG A 59 2.442 -3.935 6.968 1.00 0.00 O ATOM 877 CB ARG A 59 0.445 -3.484 9.646 1.00 0.00 C ATOM 878 CG ARG A 59 -0.520 -2.666 10.490 1.00 0.00 C ATOM 879 CD ARG A 59 0.002 -2.476 11.905 1.00 0.00 C ATOM 880 NE ARG A 59 -1.077 -2.228 12.858 1.00 0.00 N ATOM 881 CZ ARG A 59 -0.916 -2.257 14.176 1.00 0.00 C ATOM 882 NH1 ARG A 59 0.275 -2.521 14.695 1.00 0.00 N ATOM 883 NH2 ARG A 59 -1.946 -2.021 14.977 1.00 0.00 N ATOM 0 H ARG A 59 -0.059 -4.384 7.061 1.00 0.00 H new ATOM 0 HA ARG A 59 0.590 -1.790 8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.035 -4.484 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.384 -3.597 10.189 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.677 -1.693 10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.489 -3.164 10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.557 -3.364 12.209 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.702 -1.640 11.924 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.006 -2.021 12.491 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.070 -2.702 14.082 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.397 -2.543 15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.864 -1.817 14.581 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.821 -2.044 15.989 1.00 0.00 H new ATOM 897 N ASP A 60 3.112 -2.491 8.558 1.00 0.00 N ATOM 898 CA ASP A 60 4.531 -2.667 8.275 1.00 0.00 C ATOM 899 C ASP A 60 5.164 -3.649 9.256 1.00 0.00 C ATOM 900 O ASP A 60 5.151 -3.427 10.466 1.00 0.00 O ATOM 901 CB ASP A 60 5.257 -1.322 8.340 1.00 0.00 C ATOM 902 CG ASP A 60 5.204 -0.702 9.722 1.00 0.00 C ATOM 903 OD1 ASP A 60 4.086 -0.417 10.201 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.279 -0.501 10.324 1.00 0.00 O ATOM 0 H ASP A 60 2.911 -1.834 9.311 1.00 0.00 H new ATOM 0 HA ASP A 60 4.627 -3.075 7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.298 -1.460 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.811 -0.636 7.620 1.00 0.00 H new ATOM 909 N GLY A 61 5.716 -4.736 8.726 1.00 0.00 N ATOM 910 CA GLY A 61 6.345 -5.735 9.570 1.00 0.00 C ATOM 911 C GLY A 61 7.475 -6.460 8.866 1.00 0.00 C ATOM 912 O GLY A 61 8.224 -5.858 8.097 1.00 0.00 O ATOM 0 H GLY A 61 5.739 -4.943 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.730 -5.256 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.596 -6.459 9.890 1.00 0.00 H new ATOM 916 N ASP A 62 7.600 -7.756 9.130 1.00 0.00 N ATOM 917 CA ASP A 62 8.647 -8.564 8.517 1.00 0.00 C ATOM 918 C ASP A 62 8.222 -9.046 7.134 1.00 0.00 C ATOM 919 O ASP A 62 8.836 -8.693 6.127 1.00 0.00 O ATOM 920 CB ASP A 62 8.984 -9.762 9.407 1.00 0.00 C ATOM 921 CG ASP A 62 10.428 -9.752 9.869 1.00 0.00 C ATOM 922 OD1 ASP A 62 11.324 -9.922 9.017 1.00 0.00 O ATOM 923 OD2 ASP A 62 10.661 -9.575 11.084 1.00 0.00 O ATOM 0 H ASP A 62 6.989 -8.269 9.765 1.00 0.00 H new ATOM 0 HA ASP A 62 9.535 -7.941 8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.327 -9.761 10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.787 -10.684 8.860 1.00 0.00 H new ATOM 928 N ARG A 63 7.169 -9.856 7.093 1.00 0.00 N ATOM 929 CA ARG A 63 6.663 -10.388 5.833 1.00 0.00 C ATOM 930 C ARG A 63 6.417 -9.267 4.828 1.00 0.00 C ATOM 931 O ARG A 63 6.637 -9.435 3.628 1.00 0.00 O ATOM 932 CB ARG A 63 5.369 -11.170 6.068 1.00 0.00 C ATOM 933 CG ARG A 63 5.548 -12.393 6.953 1.00 0.00 C ATOM 934 CD ARG A 63 4.318 -13.286 6.924 1.00 0.00 C ATOM 935 NE ARG A 63 4.183 -13.990 5.651 1.00 0.00 N ATOM 936 CZ ARG A 63 3.414 -15.060 5.481 1.00 0.00 C ATOM 937 NH1 ARG A 63 2.715 -15.546 6.497 1.00 0.00 N ATOM 938 NH2 ARG A 63 3.344 -15.645 4.292 1.00 0.00 N ATOM 0 H ARG A 63 6.650 -10.158 7.917 1.00 0.00 H new ATOM 0 HA ARG A 63 7.417 -11.060 5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.632 -10.508 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.965 -11.484 5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.418 -12.959 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.745 -12.077 7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.378 -14.012 7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.428 -12.683 7.101 1.00 0.00 H new ATOM 0 HE ARG A 63 4.708 -13.641 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.767 -15.098 7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.125 -16.368 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.881 -15.273 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.754 -16.466 4.162 1.00 0.00 H new ATOM 952 N HIS A 64 5.959 -8.122 5.327 1.00 0.00 N ATOM 953 CA HIS A 64 5.684 -6.973 4.472 1.00 0.00 C ATOM 954 C HIS A 64 6.617 -5.813 4.805 1.00 0.00 C ATOM 955 O HIS A 64 6.698 -5.378 5.954 1.00 0.00 O ATOM 956 CB HIS A 64 4.228 -6.532 4.629 1.00 0.00 C ATOM 957 CG HIS A 64 3.241 -7.529 4.105 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.047 -8.769 4.677 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.388 -7.463 3.055 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.119 -9.423 4.001 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.703 -8.652 3.012 1.00 0.00 N ATOM 0 H HIS A 64 5.771 -7.966 6.317 1.00 0.00 H new ATOM 0 HA HIS A 64 5.857 -7.270 3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.024 -6.351 5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.086 -5.584 4.109 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.269 -6.630 2.378 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.761 -10.418 4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.989 -8.900 2.327 1.00 0.00 H new ATOM 969 N SER A 65 7.320 -5.316 3.792 1.00 0.00 N ATOM 970 CA SER A 65 8.251 -4.210 3.978 1.00 0.00 C ATOM 971 C SER A 65 7.704 -2.929 3.355 1.00 0.00 C ATOM 972 O SER A 65 7.646 -2.795 2.132 1.00 0.00 O ATOM 973 CB SER A 65 9.610 -4.550 3.362 1.00 0.00 C ATOM 974 OG SER A 65 10.575 -4.810 4.367 1.00 0.00 O ATOM 0 H SER A 65 7.262 -5.662 2.834 1.00 0.00 H new ATOM 0 HA SER A 65 8.376 -4.049 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.511 -5.421 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.946 -3.723 2.736 1.00 0.00 H new ATOM 0 HG SER A 65 11.434 -5.026 3.948 1.00 0.00 H new ATOM 980 N LEU A 66 7.304 -1.990 4.205 1.00 0.00 N ATOM 981 CA LEU A 66 6.761 -0.718 3.740 1.00 0.00 C ATOM 982 C LEU A 66 7.819 0.379 3.795 1.00 0.00 C ATOM 983 O LEU A 66 8.252 0.783 4.875 1.00 0.00 O ATOM 984 CB LEU A 66 5.550 -0.318 4.585 1.00 0.00 C ATOM 985 CG LEU A 66 4.198 -0.857 4.118 1.00 0.00 C ATOM 986 CD1 LEU A 66 3.999 -2.287 4.596 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.069 0.035 4.613 1.00 0.00 C ATOM 0 H LEU A 66 7.345 -2.085 5.220 1.00 0.00 H new ATOM 0 HA LEU A 66 6.448 -0.843 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.719 -0.654 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.495 0.770 4.612 1.00 0.00 H new ATOM 0 HG LEU A 66 4.185 -0.855 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.031 -2.654 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.790 -2.919 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.033 -2.315 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.114 -0.364 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.081 0.066 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.203 1.043 4.220 1.00 0.00 H new ATOM 999 N ARG A 67 8.230 0.858 2.626 1.00 0.00 N ATOM 1000 CA ARG A 67 9.237 1.909 2.541 1.00 0.00 C ATOM 1001 C ARG A 67 8.670 3.151 1.858 1.00 0.00 C ATOM 1002 O ARG A 67 7.838 3.049 0.957 1.00 0.00 O ATOM 1003 CB ARG A 67 10.464 1.409 1.778 1.00 0.00 C ATOM 1004 CG ARG A 67 10.997 0.079 2.285 1.00 0.00 C ATOM 1005 CD ARG A 67 12.212 -0.374 1.491 1.00 0.00 C ATOM 1006 NE ARG A 67 13.456 -0.166 2.228 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.652 -0.509 1.763 1.00 0.00 C ATOM 1008 NH1 ARG A 67 14.766 -1.073 0.569 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.737 -0.287 2.494 1.00 0.00 N ATOM 0 H ARG A 67 7.881 0.535 1.724 1.00 0.00 H new ATOM 0 HA ARG A 67 9.533 2.177 3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.210 1.310 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.254 2.157 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.263 0.170 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.215 -0.677 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.110 -1.431 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.253 0.172 0.549 1.00 0.00 H new ATOM 0 HE ARG A 67 13.403 0.266 3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.934 -1.245 0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.686 -1.335 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.653 0.147 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.655 -0.550 2.137 1.00 0.00 H new ATOM 1023 N GLN A 68 9.127 4.320 2.295 1.00 0.00 N ATOM 1024 CA GLN A 68 8.665 5.581 1.726 1.00 0.00 C ATOM 1025 C GLN A 68 9.814 6.575 1.601 1.00 0.00 C ATOM 1026 O GLN A 68 10.518 6.851 2.572 1.00 0.00 O ATOM 1027 CB GLN A 68 7.552 6.176 2.589 1.00 0.00 C ATOM 1028 CG GLN A 68 6.404 6.762 1.782 1.00 0.00 C ATOM 1029 CD GLN A 68 5.445 7.570 2.634 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.039 7.137 3.713 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.078 8.752 2.153 1.00 0.00 N ATOM 0 H GLN A 68 9.816 4.420 3.040 1.00 0.00 H new ATOM 0 HA GLN A 68 8.274 5.379 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.163 5.402 3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.973 6.955 3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.807 7.397 0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.858 5.954 1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.439 9.071 1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.435 9.341 2.682 1.00 0.00 H new ATOM 1040 N ASP A 69 9.999 7.110 0.399 1.00 0.00 N ATOM 1041 CA ASP A 69 11.063 8.075 0.146 1.00 0.00 C ATOM 1042 C ASP A 69 10.488 9.404 -0.335 1.00 0.00 C ATOM 1043 O ASP A 69 10.395 9.652 -1.536 1.00 0.00 O ATOM 1044 CB ASP A 69 12.045 7.525 -0.889 1.00 0.00 C ATOM 1045 CG ASP A 69 13.107 6.640 -0.266 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.597 6.983 0.830 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.448 5.605 -0.875 1.00 0.00 O ATOM 0 H ASP A 69 9.426 6.892 -0.416 1.00 0.00 H new ATOM 0 HA ASP A 69 11.594 8.247 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.496 6.956 -1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.526 8.355 -1.407 1.00 0.00 H new ATOM 1052 N GLY A 70 10.104 10.254 0.612 1.00 0.00 N ATOM 1053 CA GLY A 70 9.542 11.547 0.264 1.00 0.00 C ATOM 1054 C GLY A 70 8.163 11.432 -0.354 1.00 0.00 C ATOM 1055 O GLY A 70 7.156 11.431 0.354 1.00 0.00 O ATOM 0 H GLY A 70 10.172 10.071 1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.485 12.168 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.209 12.054 -0.434 1.00 0.00 H new ATOM 1059 N ALA A 71 8.116 11.337 -1.679 1.00 0.00 N ATOM 1060 CA ALA A 71 6.850 11.221 -2.392 1.00 0.00 C ATOM 1061 C ALA A 71 6.677 9.825 -2.981 1.00 0.00 C ATOM 1062 O ALA A 71 5.559 9.322 -3.092 1.00 0.00 O ATOM 1063 CB ALA A 71 6.763 12.273 -3.488 1.00 0.00 C ATOM 0 H ALA A 71 8.940 11.338 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 71 6.043 11.388 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.812 12.175 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.832 13.267 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.582 12.133 -4.193 1.00 0.00 H new ATOM 1069 N ARG A 72 7.791 9.205 -3.358 1.00 0.00 N ATOM 1070 CA ARG A 72 7.762 7.868 -3.937 1.00 0.00 C ATOM 1071 C ARG A 72 7.654 6.805 -2.848 1.00 0.00 C ATOM 1072 O ARG A 72 8.455 6.776 -1.913 1.00 0.00 O ATOM 1073 CB ARG A 72 9.016 7.626 -4.778 1.00 0.00 C ATOM 1074 CG ARG A 72 8.815 7.887 -6.262 1.00 0.00 C ATOM 1075 CD ARG A 72 9.845 7.149 -7.102 1.00 0.00 C ATOM 1076 NE ARG A 72 9.671 7.404 -8.530 1.00 0.00 N ATOM 1077 CZ ARG A 72 10.256 6.684 -9.481 1.00 0.00 C ATOM 1078 NH1 ARG A 72 11.048 5.671 -9.159 1.00 0.00 N ATOM 1079 NH2 ARG A 72 10.049 6.978 -10.759 1.00 0.00 N ATOM 0 H ARG A 72 8.724 9.608 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 72 6.883 7.797 -4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.818 8.266 -4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.342 6.595 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.813 7.574 -6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.884 8.957 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.846 7.454 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.767 6.078 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 72 9.068 8.177 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.210 5.442 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.495 5.120 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.441 7.757 -11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.498 6.425 -11.489 1.00 0.00 H new ATOM 1093 N CYS A 73 6.659 5.934 -2.974 1.00 0.00 N ATOM 1094 CA CYS A 73 6.445 4.870 -2.000 1.00 0.00 C ATOM 1095 C CYS A 73 6.827 3.514 -2.583 1.00 0.00 C ATOM 1096 O CYS A 73 6.835 3.331 -3.800 1.00 0.00 O ATOM 1097 CB CYS A 73 4.984 4.851 -1.547 1.00 0.00 C ATOM 1098 SG CYS A 73 4.343 6.468 -1.053 1.00 0.00 S ATOM 0 H CYS A 73 5.987 5.944 -3.742 1.00 0.00 H new ATOM 0 HA CYS A 73 7.082 5.067 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.369 4.460 -2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.883 4.161 -0.709 1.00 0.00 H new ATOM 0 HG CYS A 73 3.480 6.880 -1.934 1.00 0.00 H new ATOM 1104 N GLU A 74 7.145 2.566 -1.706 1.00 0.00 N ATOM 1105 CA GLU A 74 7.530 1.227 -2.135 1.00 0.00 C ATOM 1106 C GLU A 74 7.070 0.179 -1.127 1.00 0.00 C ATOM 1107 O GLU A 74 7.310 0.309 0.074 1.00 0.00 O ATOM 1108 CB GLU A 74 9.047 1.143 -2.318 1.00 0.00 C ATOM 1109 CG GLU A 74 9.534 1.721 -3.636 1.00 0.00 C ATOM 1110 CD GLU A 74 10.305 3.015 -3.457 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.056 3.124 -2.465 1.00 0.00 O ATOM 1112 OE2 GLU A 74 10.158 3.917 -4.307 1.00 0.00 O ATOM 0 H GLU A 74 7.143 2.701 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 74 7.044 1.025 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.533 1.671 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.355 0.100 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.169 0.990 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.679 1.899 -4.288 1.00 0.00 H new ATOM 1119 N LEU A 75 6.407 -0.860 -1.623 1.00 0.00 N ATOM 1120 CA LEU A 75 5.911 -1.931 -0.766 1.00 0.00 C ATOM 1121 C LEU A 75 6.456 -3.283 -1.216 1.00 0.00 C ATOM 1122 O LEU A 75 6.062 -3.805 -2.258 1.00 0.00 O ATOM 1123 CB LEU A 75 4.382 -1.955 -0.778 1.00 0.00 C ATOM 1124 CG LEU A 75 3.725 -3.212 -0.207 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.047 -3.358 1.272 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.220 -3.174 -0.426 1.00 0.00 C ATOM 0 H LEU A 75 6.201 -0.983 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 75 6.256 -1.740 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.021 -1.094 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.045 -1.829 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 75 4.126 -4.079 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.571 -4.258 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.126 -3.433 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.675 -2.488 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.769 -4.077 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.802 -2.299 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.009 -3.119 -1.494 1.00 0.00 H new ATOM 1138 N GLN A 76 7.361 -3.845 -0.421 1.00 0.00 N ATOM 1139 CA GLN A 76 7.957 -5.137 -0.737 1.00 0.00 C ATOM 1140 C GLN A 76 7.261 -6.260 0.025 1.00 0.00 C ATOM 1141 O GLN A 76 6.824 -6.073 1.161 1.00 0.00 O ATOM 1142 CB GLN A 76 9.450 -5.129 -0.404 1.00 0.00 C ATOM 1143 CG GLN A 76 10.110 -6.492 -0.531 1.00 0.00 C ATOM 1144 CD GLN A 76 11.594 -6.398 -0.823 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.059 -5.433 -1.431 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.348 -7.402 -0.391 1.00 0.00 N ATOM 0 H GLN A 76 7.697 -3.426 0.446 1.00 0.00 H new ATOM 0 HA GLN A 76 7.830 -5.315 -1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.957 -4.426 -1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.585 -4.763 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.960 -7.051 0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.622 -7.055 -1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.921 -8.182 0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.354 -7.393 -0.559 1.00 0.00 H new ATOM 1155 N ILE A 77 7.160 -7.424 -0.607 1.00 0.00 N ATOM 1156 CA ILE A 77 6.517 -8.576 0.013 1.00 0.00 C ATOM 1157 C ILE A 77 7.333 -9.846 -0.208 1.00 0.00 C ATOM 1158 O ILE A 77 7.432 -10.345 -1.328 1.00 0.00 O ATOM 1159 CB ILE A 77 5.095 -8.791 -0.538 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.240 -7.545 -0.302 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.455 -10.010 0.109 1.00 0.00 C ATOM 1162 CD1 ILE A 77 2.989 -7.501 -1.152 1.00 0.00 C ATOM 0 H ILE A 77 7.515 -7.595 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 77 6.456 -8.367 1.081 1.00 0.00 H new ATOM 0 HB ILE A 77 5.160 -8.966 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.957 -7.502 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.840 -6.658 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.450 -10.149 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.056 -10.894 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.399 -9.862 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.432 -6.590 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.265 -7.512 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.368 -8.369 -0.931 1.00 0.00 H new ATOM 1174 N ARG A 78 7.915 -10.363 0.869 1.00 0.00 N ATOM 1175 CA ARG A 78 8.722 -11.575 0.794 1.00 0.00 C ATOM 1176 C ARG A 78 7.884 -12.807 1.126 1.00 0.00 C ATOM 1177 O ARG A 78 6.938 -12.734 1.908 1.00 0.00 O ATOM 1178 CB ARG A 78 9.912 -11.481 1.751 1.00 0.00 C ATOM 1179 CG ARG A 78 11.138 -10.829 1.134 1.00 0.00 C ATOM 1180 CD ARG A 78 12.278 -10.728 2.136 1.00 0.00 C ATOM 1181 NE ARG A 78 12.871 -12.031 2.424 1.00 0.00 N ATOM 1182 CZ ARG A 78 13.724 -12.647 1.613 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.082 -12.080 0.469 1.00 0.00 N ATOM 1184 NH2 ARG A 78 14.220 -13.832 1.945 1.00 0.00 N ATOM 0 H ARG A 78 7.843 -9.962 1.804 1.00 0.00 H new ATOM 0 HA ARG A 78 9.092 -11.673 -0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.614 -10.914 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.175 -12.483 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.463 -11.407 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.880 -9.833 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.045 -10.059 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.909 -10.285 3.061 1.00 0.00 H new ATOM 0 HE ARG A 78 12.616 -12.494 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.702 -11.169 0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.737 -12.555 -0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.946 -14.271 2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.875 -14.304 1.321 1.00 0.00 H new ATOM 1198 N GLY A 79 8.241 -13.938 0.525 1.00 0.00 N ATOM 1199 CA GLY A 79 7.512 -15.169 0.769 1.00 0.00 C ATOM 1200 C GLY A 79 6.169 -15.196 0.068 1.00 0.00 C ATOM 1201 O GLY A 79 5.128 -15.345 0.710 1.00 0.00 O ATOM 0 H GLY A 79 9.021 -14.024 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.111 -16.015 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.361 -15.292 1.841 1.00 0.00 H new ATOM 1205 N LEU A 80 6.189 -15.051 -1.252 1.00 0.00 N ATOM 1206 CA LEU A 80 4.962 -15.058 -2.042 1.00 0.00 C ATOM 1207 C LEU A 80 4.244 -16.398 -1.920 1.00 0.00 C ATOM 1208 O LEU A 80 4.755 -17.335 -1.307 1.00 0.00 O ATOM 1209 CB LEU A 80 5.275 -14.765 -3.510 1.00 0.00 C ATOM 1210 CG LEU A 80 5.383 -13.288 -3.892 1.00 0.00 C ATOM 1211 CD1 LEU A 80 5.958 -13.140 -5.292 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.023 -12.613 -3.798 1.00 0.00 C ATOM 0 H LEU A 80 7.041 -14.927 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 80 4.305 -14.279 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.215 -15.255 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.500 -15.223 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 80 6.059 -12.799 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.028 -12.082 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.951 -13.588 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.308 -13.644 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.118 -11.563 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.325 -13.104 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.649 -12.688 -2.777 1.00 0.00 H new ATOM 1224 N VAL A 81 3.056 -16.483 -2.511 1.00 0.00 N ATOM 1225 CA VAL A 81 2.268 -17.709 -2.473 1.00 0.00 C ATOM 1226 C VAL A 81 1.181 -17.698 -3.541 1.00 0.00 C ATOM 1227 O VAL A 81 1.307 -18.350 -4.576 1.00 0.00 O ATOM 1228 CB VAL A 81 1.616 -17.913 -1.093 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.397 -18.932 -0.277 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.514 -16.590 -0.350 1.00 0.00 C ATOM 0 H VAL A 81 2.618 -15.717 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 81 2.954 -18.533 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 81 0.607 -18.299 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.921 -19.062 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.412 -19.886 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.419 -18.579 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.051 -16.754 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.511 -16.173 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.907 -15.894 -0.928 1.00 0.00 H new ATOM 1240 N ALA A 82 0.112 -16.951 -3.281 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.997 -16.852 -4.222 1.00 0.00 C ATOM 1242 C ALA A 82 -2.091 -15.936 -3.685 1.00 0.00 C ATOM 1243 O ALA A 82 -2.754 -15.234 -4.448 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.561 -18.234 -4.519 1.00 0.00 C ATOM 0 H ALA A 82 -0.009 -16.406 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.619 -16.419 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.389 -18.146 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.781 -18.860 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.918 -18.688 -3.594 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.275 -15.949 -2.369 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.291 -15.119 -1.732 1.00 0.00 C ATOM 1252 C GLU A 83 -2.918 -13.642 -1.815 1.00 0.00 C ATOM 1253 O GLU A 83 -3.788 -12.771 -1.830 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.473 -15.529 -0.269 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.578 -16.551 -0.055 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.138 -16.518 1.353 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.968 -15.631 1.642 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -4.746 -17.380 2.167 1.00 0.00 O ATOM 0 H GLU A 83 -1.734 -16.525 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.231 -15.269 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.534 -15.938 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.692 -14.641 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.383 -16.365 -0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.191 -17.548 -0.265 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.619 -13.369 -1.869 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.130 -11.997 -1.951 1.00 0.00 C ATOM 1267 C ASP A 84 -1.624 -11.319 -3.225 1.00 0.00 C ATOM 1268 O ASP A 84 -1.845 -10.109 -3.250 1.00 0.00 O ATOM 1269 CB ASP A 84 0.399 -11.976 -1.907 1.00 0.00 C ATOM 1270 CG ASP A 84 0.953 -12.679 -0.684 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.191 -12.870 0.288 1.00 0.00 O ATOM 1272 OD2 ASP A 84 2.148 -13.040 -0.698 1.00 0.00 O ATOM 0 H ASP A 84 -0.886 -14.078 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.519 -11.446 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.792 -12.452 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.746 -10.943 -1.917 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.793 -12.108 -4.281 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.262 -11.584 -5.558 1.00 0.00 C ATOM 1279 C ALA A 85 -3.699 -11.085 -5.453 1.00 0.00 C ATOM 1280 O ALA A 85 -4.548 -11.733 -4.842 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.148 -12.648 -6.640 1.00 0.00 C ATOM 0 H ALA A 85 -1.612 -13.112 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.630 -10.738 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.502 -12.242 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.107 -12.953 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.754 -13.512 -6.366 1.00 0.00 H new ATOM 1287 N GLY A 86 -3.965 -9.929 -6.053 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.301 -9.363 -6.014 1.00 0.00 C ATOM 1289 C GLY A 86 -5.332 -7.918 -6.469 1.00 0.00 C ATOM 1290 O GLY A 86 -4.738 -7.569 -7.489 1.00 0.00 O ATOM 0 H GLY A 86 -3.279 -9.374 -6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.961 -9.955 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.691 -9.429 -4.998 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.029 -7.076 -5.713 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.137 -5.660 -6.048 1.00 0.00 C ATOM 1296 C GLU A 87 -5.596 -4.791 -4.916 1.00 0.00 C ATOM 1297 O GLU A 87 -6.219 -4.668 -3.861 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.594 -5.292 -6.337 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.792 -3.828 -6.693 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.116 -3.569 -7.385 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -10.072 -4.336 -7.143 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.196 -2.600 -8.169 1.00 0.00 O ATOM 0 H GLU A 87 -6.527 -7.349 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.539 -5.477 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.960 -5.910 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.200 -5.530 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.737 -3.227 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.978 -3.502 -7.341 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.434 -4.190 -5.144 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.807 -3.335 -4.143 1.00 0.00 C ATOM 1311 C TYR A 88 -4.309 -1.899 -4.262 1.00 0.00 C ATOM 1312 O TYR A 88 -4.939 -1.529 -5.254 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.285 -3.369 -4.294 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.638 -4.568 -3.637 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.689 -5.822 -4.233 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.977 -4.446 -2.421 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.100 -6.920 -3.636 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.384 -5.538 -1.818 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.448 -6.773 -2.429 1.00 0.00 C ATOM 1320 OH TYR A 88 0.140 -7.864 -1.831 1.00 0.00 O ATOM 0 H TYR A 88 -3.907 -4.279 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.076 -3.715 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.033 -3.366 -5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.865 -2.459 -3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.197 -5.940 -5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.926 -3.481 -1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.150 -7.888 -4.112 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.127 -5.426 -0.873 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.324 -8.680 -2.111 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.024 -1.094 -3.245 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.445 0.303 -3.234 1.00 0.00 C ATOM 1332 C LEU A 89 -3.351 1.197 -2.660 1.00 0.00 C ATOM 1333 O LEU A 89 -2.338 0.710 -2.155 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.730 0.462 -2.419 1.00 0.00 C ATOM 1335 CG LEU A 89 -6.912 1.103 -3.147 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.190 0.325 -2.878 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.072 2.557 -2.727 1.00 0.00 C ATOM 0 H LEU A 89 -3.503 -1.384 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.635 0.608 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.037 -0.523 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.505 1.061 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.713 1.075 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.020 0.796 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.073 -0.700 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.395 0.321 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.918 2.997 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.248 2.608 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.164 3.109 -2.972 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.562 2.506 -2.738 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.594 3.469 -2.225 1.00 0.00 C ATOM 1351 C CYS A 90 -3.191 4.871 -2.183 1.00 0.00 C ATOM 1352 O CYS A 90 -2.981 5.673 -3.093 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.332 3.464 -3.088 1.00 0.00 C ATOM 1354 SG CYS A 90 0.001 4.508 -2.453 1.00 0.00 S ATOM 0 H CYS A 90 -4.395 2.925 -3.152 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.331 3.176 -1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.968 2.440 -3.174 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.591 3.796 -4.093 1.00 0.00 H new ATOM 0 HG CYS A 90 -0.431 5.726 -2.313 1.00 0.00 H new ATOM 1360 N MET A 91 -3.938 5.160 -1.123 1.00 0.00 N ATOM 1361 CA MET A 91 -4.567 6.466 -0.964 1.00 0.00 C ATOM 1362 C MET A 91 -3.617 7.448 -0.286 1.00 0.00 C ATOM 1363 O MET A 91 -2.935 7.100 0.679 1.00 0.00 O ATOM 1364 CB MET A 91 -5.855 6.340 -0.148 1.00 0.00 C ATOM 1365 CG MET A 91 -6.760 5.209 -0.612 1.00 0.00 C ATOM 1366 SD MET A 91 -8.474 5.436 -0.101 1.00 0.00 S ATOM 1367 CE MET A 91 -8.593 4.239 1.226 1.00 0.00 C ATOM 0 H MET A 91 -4.123 4.507 -0.361 1.00 0.00 H new ATOM 0 HA MET A 91 -4.809 6.847 -1.956 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.598 6.182 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.404 7.280 -0.203 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.716 5.136 -1.699 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.388 4.265 -0.214 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.599 4.260 1.646 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.382 3.243 0.837 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.870 4.485 2.004 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.577 8.674 -0.796 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.709 9.705 -0.240 1.00 0.00 C ATOM 1379 C CYS A 92 -3.479 11.004 -0.021 1.00 0.00 C ATOM 1380 O CYS A 92 -3.595 11.828 -0.927 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.518 9.954 -1.167 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.429 11.292 -0.627 1.00 0.00 S ATOM 0 H CYS A 92 -4.136 8.978 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.342 9.354 0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -0.936 9.036 -1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.890 10.184 -2.165 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.131 12.367 -0.421 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.004 11.178 1.188 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.758 12.377 1.503 1.00 0.00 C ATOM 1390 C GLY A 93 -6.148 12.364 0.898 1.00 0.00 C ATOM 1391 O GLY A 93 -7.123 12.028 1.571 1.00 0.00 O ATOM 0 H GLY A 93 -3.921 10.510 1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.837 12.479 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.215 13.250 1.140 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.241 12.732 -0.375 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.522 12.762 -1.071 1.00 0.00 C ATOM 1397 C LYS A 94 -7.513 11.816 -2.268 1.00 0.00 C ATOM 1398 O LYS A 94 -8.418 10.999 -2.430 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.839 14.186 -1.536 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.186 14.313 -2.226 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.067 15.347 -1.544 1.00 0.00 C ATOM 1402 CE LYS A 94 -9.692 16.761 -1.961 1.00 0.00 C ATOM 1403 NZ LYS A 94 -8.778 17.405 -0.976 1.00 0.00 N ATOM 0 H LYS A 94 -5.444 13.014 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.294 12.432 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.816 14.854 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.057 14.519 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.037 14.592 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.690 13.346 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.111 15.158 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.974 15.249 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.212 16.736 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.596 17.361 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.733 18.427 -1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.135 17.242 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.826 16.995 -1.066 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.483 11.932 -3.100 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.357 11.085 -4.281 1.00 0.00 C ATOM 1419 C GLU A 95 -6.088 9.636 -3.885 1.00 0.00 C ATOM 1420 O GLU A 95 -5.475 9.367 -2.852 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.233 11.595 -5.184 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.674 11.862 -6.614 1.00 0.00 C ATOM 1423 CD GLU A 95 -5.500 10.654 -7.513 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -6.224 9.656 -7.312 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -4.642 10.706 -8.418 1.00 0.00 O ATOM 0 H GLU A 95 -5.725 12.603 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.299 11.125 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.827 12.514 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.425 10.863 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.721 12.165 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.100 12.696 -7.018 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.553 8.706 -4.714 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.365 7.285 -4.450 1.00 0.00 C ATOM 1434 C ARG A 96 -6.186 6.510 -5.752 1.00 0.00 C ATOM 1435 O ARG A 96 -6.721 6.890 -6.794 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.558 6.727 -3.672 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.900 7.017 -4.323 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.877 5.870 -4.121 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.851 5.783 -5.205 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.669 4.750 -5.378 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.630 3.722 -4.541 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.529 4.745 -6.389 1.00 0.00 N ATOM 0 H ARG A 96 -7.062 8.912 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.462 7.168 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.440 5.648 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.553 7.147 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.319 7.931 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.758 7.192 -5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.326 4.932 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.400 6.002 -3.174 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.907 6.558 -5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.971 3.723 -3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.259 2.930 -4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.562 5.534 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.156 3.952 -6.521 1.00 0.00 H new ATOM 1456 N THR A 97 -5.428 5.419 -5.686 1.00 0.00 N ATOM 1457 CA THR A 97 -5.176 4.591 -6.859 1.00 0.00 C ATOM 1458 C THR A 97 -5.205 3.109 -6.502 1.00 0.00 C ATOM 1459 O THR A 97 -5.196 2.744 -5.326 1.00 0.00 O ATOM 1460 CB THR A 97 -3.817 4.926 -7.502 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.681 4.234 -8.748 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.672 4.546 -6.576 1.00 0.00 C ATOM 0 H THR A 97 -4.978 5.089 -4.832 1.00 0.00 H new ATOM 0 HA THR A 97 -5.970 4.806 -7.574 1.00 0.00 H new ATOM 0 HB THR A 97 -3.778 6.001 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.815 4.454 -9.151 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.723 4.792 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.763 5.097 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.709 3.476 -6.372 1.00 0.00 H new ATOM 1470 N SER A 98 -5.238 2.260 -7.524 1.00 0.00 N ATOM 1471 CA SER A 98 -5.271 0.817 -7.317 1.00 0.00 C ATOM 1472 C SER A 98 -4.618 0.086 -8.486 1.00 0.00 C ATOM 1473 O SER A 98 -4.673 0.543 -9.627 1.00 0.00 O ATOM 1474 CB SER A 98 -6.714 0.338 -7.144 1.00 0.00 C ATOM 1475 OG SER A 98 -7.635 1.341 -7.537 1.00 0.00 O ATOM 0 H SER A 98 -5.243 2.546 -8.503 1.00 0.00 H new ATOM 0 HA SER A 98 -4.710 0.592 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.876 -0.561 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.888 0.068 -6.103 1.00 0.00 H new ATOM 0 HG SER A 98 -8.550 1.010 -7.419 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.000 -1.053 -8.192 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.337 -1.850 -9.218 1.00 0.00 C ATOM 1483 C ALA A 99 -3.702 -3.324 -9.089 1.00 0.00 C ATOM 1484 O ALA A 99 -4.416 -3.718 -8.167 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.829 -1.668 -9.135 1.00 0.00 C ATOM 0 H ALA A 99 -3.944 -1.445 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.681 -1.502 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.347 -2.269 -9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.581 -0.617 -9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.477 -1.988 -8.154 1.00 0.00 H new ATOM 1491 N MET A 100 -3.209 -4.135 -10.019 1.00 0.00 N ATOM 1492 CA MET A 100 -3.484 -5.567 -10.008 1.00 0.00 C ATOM 1493 C MET A 100 -2.186 -6.369 -9.977 1.00 0.00 C ATOM 1494 O MET A 100 -1.446 -6.410 -10.961 1.00 0.00 O ATOM 1495 CB MET A 100 -4.310 -5.959 -11.234 1.00 0.00 C ATOM 1496 CG MET A 100 -5.778 -5.579 -11.125 1.00 0.00 C ATOM 1497 SD MET A 100 -6.879 -6.988 -11.353 1.00 0.00 S ATOM 1498 CE MET A 100 -6.449 -7.988 -9.931 1.00 0.00 C ATOM 0 H MET A 100 -2.617 -3.825 -10.790 1.00 0.00 H new ATOM 0 HA MET A 100 -4.054 -5.796 -9.107 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.884 -5.482 -12.117 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.232 -7.036 -11.385 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.962 -5.133 -10.147 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.009 -4.818 -11.871 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.036 -8.907 -9.941 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.388 -8.235 -9.967 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.662 -7.432 -9.018 1.00 0.00 H new ATOM 1508 N LEU A 101 -1.917 -7.006 -8.843 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.708 -7.807 -8.684 1.00 0.00 C ATOM 1510 C LEU A 101 -0.982 -9.274 -8.999 1.00 0.00 C ATOM 1511 O LEU A 101 -1.671 -9.964 -8.247 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.167 -7.672 -7.260 1.00 0.00 C ATOM 1513 CG LEU A 101 1.123 -8.436 -6.957 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.326 -7.696 -7.520 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.278 -8.646 -5.458 1.00 0.00 C ATOM 0 H LEU A 101 -2.519 -6.984 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 101 0.039 -7.437 -9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.004 -6.615 -7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.937 -8.010 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 101 1.066 -9.413 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.235 -8.254 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.219 -7.597 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.388 -6.706 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.201 -9.191 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.314 -7.679 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.431 -9.219 -5.081 1.00 0.00 H new ATOM 1527 N THR A 102 -0.436 -9.746 -10.116 1.00 0.00 N ATOM 1528 CA THR A 102 -0.621 -11.131 -10.530 1.00 0.00 C ATOM 1529 C THR A 102 0.513 -12.013 -10.020 1.00 0.00 C ATOM 1530 O THR A 102 1.687 -11.658 -10.130 1.00 0.00 O ATOM 1531 CB THR A 102 -0.700 -11.253 -12.064 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.671 -10.334 -12.578 1.00 0.00 O ATOM 1533 CG2 THR A 102 -1.068 -12.670 -12.476 1.00 0.00 C ATOM 0 H THR A 102 0.138 -9.189 -10.750 1.00 0.00 H new ATOM 0 HA THR A 102 -1.563 -11.467 -10.097 1.00 0.00 H new ATOM 0 HB THR A 102 0.280 -11.015 -12.477 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.715 -10.416 -13.554 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.118 -12.732 -13.563 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.312 -13.364 -12.107 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.038 -12.932 -12.053 1.00 0.00 H new ATOM 1541 N VAL A 103 0.156 -13.166 -9.463 1.00 0.00 N ATOM 1542 CA VAL A 103 1.144 -14.100 -8.937 1.00 0.00 C ATOM 1543 C VAL A 103 1.063 -15.445 -9.651 1.00 0.00 C ATOM 1544 O VAL A 103 0.097 -16.190 -9.487 1.00 0.00 O ATOM 1545 CB VAL A 103 0.957 -14.323 -7.425 1.00 0.00 C ATOM 1546 CG1 VAL A 103 1.979 -15.321 -6.901 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.058 -13.002 -6.676 1.00 0.00 C ATOM 0 H VAL A 103 -0.811 -13.476 -9.364 1.00 0.00 H new ATOM 0 HA VAL A 103 2.124 -13.656 -9.113 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.038 -14.736 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.831 -15.465 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.855 -16.273 -7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.984 -14.940 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.923 -13.178 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.039 -12.559 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.284 -12.322 -7.032 1.00 0.00 H new ATOM 1557 N ARG A 104 2.085 -15.749 -10.445 1.00 0.00 N ATOM 1558 CA ARG A 104 2.130 -17.004 -11.185 1.00 0.00 C ATOM 1559 C ARG A 104 2.483 -18.167 -10.263 1.00 0.00 C ATOM 1560 O ARG A 104 2.611 -17.995 -9.051 1.00 0.00 O ATOM 1561 CB ARG A 104 3.149 -16.914 -12.323 1.00 0.00 C ATOM 1562 CG ARG A 104 2.866 -15.790 -13.306 1.00 0.00 C ATOM 1563 CD ARG A 104 1.776 -16.175 -14.295 1.00 0.00 C ATOM 1564 NE ARG A 104 1.280 -15.021 -15.039 1.00 0.00 N ATOM 1565 CZ ARG A 104 0.429 -15.113 -16.055 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -0.018 -16.299 -16.445 1.00 0.00 N ATOM 1567 NH2 ARG A 104 0.022 -14.017 -16.683 1.00 0.00 N ATOM 0 H ARG A 104 2.892 -15.143 -10.592 1.00 0.00 H new ATOM 0 HA ARG A 104 1.141 -17.184 -11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.143 -16.773 -11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.164 -17.861 -12.862 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.564 -14.896 -12.761 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.778 -15.541 -13.848 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.165 -16.916 -14.993 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.950 -16.644 -13.760 1.00 0.00 H new ATOM 0 HE ARG A 104 1.604 -14.094 -14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.291 -17.144 -15.965 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.671 -16.366 -17.225 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.363 -13.103 -16.386 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.631 -14.089 -17.463 1.00 0.00 H new ATOM 1581 N ALA A 105 2.638 -19.352 -10.846 1.00 0.00 N ATOM 1582 CA ALA A 105 2.978 -20.542 -10.077 1.00 0.00 C ATOM 1583 C ALA A 105 4.432 -20.943 -10.299 1.00 0.00 C ATOM 1584 O ALA A 105 5.012 -20.655 -11.346 1.00 0.00 O ATOM 1585 CB ALA A 105 2.050 -21.691 -10.444 1.00 0.00 C ATOM 0 H ALA A 105 2.533 -19.513 -11.848 1.00 0.00 H new ATOM 0 HA ALA A 105 2.850 -20.309 -9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.316 -22.573 -9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.019 -21.410 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.149 -21.914 -11.506 1.00 0.00 H new ATOM 1591 N MET A 106 5.016 -21.609 -9.308 1.00 0.00 N ATOM 1592 CA MET A 106 6.403 -22.049 -9.397 1.00 0.00 C ATOM 1593 C MET A 106 6.638 -22.852 -10.673 1.00 0.00 C ATOM 1594 O MET A 106 5.706 -23.363 -11.294 1.00 0.00 O ATOM 1595 CB MET A 106 6.772 -22.893 -8.175 1.00 0.00 C ATOM 1596 CG MET A 106 7.526 -22.117 -7.107 1.00 0.00 C ATOM 1597 SD MET A 106 8.778 -23.115 -6.278 1.00 0.00 S ATOM 1598 CE MET A 106 7.974 -23.434 -4.710 1.00 0.00 C ATOM 0 H MET A 106 4.550 -21.856 -8.435 1.00 0.00 H new ATOM 0 HA MET A 106 7.038 -21.163 -9.424 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.862 -23.304 -7.739 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.381 -23.738 -8.497 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.002 -21.249 -7.562 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.818 -21.742 -6.368 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.626 -24.043 -4.084 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.768 -22.489 -4.208 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.038 -23.965 -4.883 1.00 0.00 H new ATOM 1608 N PRO A 107 7.913 -22.966 -11.075 1.00 0.00 N ATOM 1609 CA PRO A 107 8.299 -23.706 -12.280 1.00 0.00 C ATOM 1610 C PRO A 107 8.111 -25.211 -12.123 1.00 0.00 C ATOM 1611 O PRO A 107 8.474 -25.787 -11.098 1.00 0.00 O ATOM 1612 CB PRO A 107 9.783 -23.367 -12.444 1.00 0.00 C ATOM 1613 CG PRO A 107 10.248 -23.027 -11.070 1.00 0.00 C ATOM 1614 CD PRO A 107 9.075 -22.383 -10.384 1.00 0.00 C ATOM 0 HA PRO A 107 7.687 -23.432 -13.139 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.339 -24.211 -12.853 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.925 -22.530 -13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.571 -23.920 -10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.101 -22.349 -11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.061 -22.606 -9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.098 -21.298 -10.483 1.00 0.00 H new ATOM 1622 N SER A 108 7.541 -25.842 -13.144 1.00 0.00 N ATOM 1623 CA SER A 108 7.301 -27.280 -13.117 1.00 0.00 C ATOM 1624 C SER A 108 7.267 -27.852 -14.531 1.00 0.00 C ATOM 1625 O SER A 108 7.348 -27.115 -15.513 1.00 0.00 O ATOM 1626 CB SER A 108 5.985 -27.586 -12.400 1.00 0.00 C ATOM 1627 OG SER A 108 6.216 -27.998 -11.064 1.00 0.00 O ATOM 0 H SER A 108 7.237 -25.380 -14.001 1.00 0.00 H new ATOM 0 HA SER A 108 8.121 -27.749 -12.573 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.349 -26.700 -12.406 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.448 -28.368 -12.937 1.00 0.00 H new ATOM 0 HG SER A 108 6.948 -27.471 -10.681 1.00 0.00 H new ATOM 1633 N GLY A 109 7.147 -29.173 -14.626 1.00 0.00 N ATOM 1634 CA GLY A 109 7.105 -29.822 -15.923 1.00 0.00 C ATOM 1635 C GLY A 109 8.395 -30.549 -16.250 1.00 0.00 C ATOM 1636 O GLY A 109 9.402 -30.413 -15.555 1.00 0.00 O ATOM 0 H GLY A 109 7.078 -29.805 -13.828 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.277 -30.530 -15.945 1.00 0.00 H new ATOM 0 HA3 GLY A 109 6.907 -29.076 -16.693 1.00 0.00 H new ATOM 1640 N PRO A 110 8.374 -31.343 -17.331 1.00 0.00 N ATOM 1641 CA PRO A 110 9.542 -32.110 -17.772 1.00 0.00 C ATOM 1642 C PRO A 110 10.646 -31.218 -18.329 1.00 0.00 C ATOM 1643 O PRO A 110 10.708 -30.969 -19.533 1.00 0.00 O ATOM 1644 CB PRO A 110 8.978 -33.013 -18.872 1.00 0.00 C ATOM 1645 CG PRO A 110 7.784 -32.285 -19.385 1.00 0.00 C ATOM 1646 CD PRO A 110 7.208 -31.552 -18.205 1.00 0.00 C ATOM 0 HA PRO A 110 10.006 -32.655 -16.950 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.710 -33.179 -19.662 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.706 -33.993 -18.479 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.061 -31.591 -20.178 1.00 0.00 H new ATOM 0 HG3 PRO A 110 7.056 -32.978 -19.807 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.754 -30.607 -18.502 1.00 0.00 H new ATOM 0 HD3 PRO A 110 6.433 -32.136 -17.708 1.00 0.00 H new ATOM 1654 N SER A 111 11.514 -30.738 -17.445 1.00 0.00 N ATOM 1655 CA SER A 111 12.614 -29.869 -17.848 1.00 0.00 C ATOM 1656 C SER A 111 13.787 -30.688 -18.379 1.00 0.00 C ATOM 1657 O SER A 111 14.675 -31.082 -17.623 1.00 0.00 O ATOM 1658 CB SER A 111 13.071 -29.008 -16.669 1.00 0.00 C ATOM 1659 OG SER A 111 12.013 -28.195 -16.191 1.00 0.00 O ATOM 0 H SER A 111 11.477 -30.936 -16.445 1.00 0.00 H new ATOM 0 HA SER A 111 12.256 -29.219 -18.646 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.433 -29.649 -15.865 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.907 -28.379 -16.976 1.00 0.00 H new ATOM 0 HG SER A 111 12.330 -27.656 -15.437 1.00 0.00 H new ATOM 1665 N SER A 112 13.781 -30.941 -19.684 1.00 0.00 N ATOM 1666 CA SER A 112 14.842 -31.716 -20.317 1.00 0.00 C ATOM 1667 C SER A 112 15.347 -31.019 -21.576 1.00 0.00 C ATOM 1668 O SER A 112 14.604 -30.838 -22.539 1.00 0.00 O ATOM 1669 CB SER A 112 14.340 -33.119 -20.663 1.00 0.00 C ATOM 1670 OG SER A 112 13.281 -33.064 -21.603 1.00 0.00 O ATOM 0 H SER A 112 13.054 -30.621 -20.323 1.00 0.00 H new ATOM 0 HA SER A 112 15.669 -31.797 -19.612 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.160 -33.712 -21.068 1.00 0.00 H new ATOM 0 HB3 SER A 112 14.001 -33.621 -19.757 1.00 0.00 H new ATOM 0 HG SER A 112 13.419 -32.305 -22.208 1.00 0.00 H new ATOM 1676 N GLY A 113 16.619 -30.630 -21.560 1.00 0.00 N ATOM 1677 CA GLY A 113 17.203 -29.957 -22.705 1.00 0.00 C ATOM 1678 C GLY A 113 18.187 -28.876 -22.303 1.00 0.00 C ATOM 1679 O GLY A 113 18.456 -27.955 -23.073 1.00 0.00 O ATOM 0 H GLY A 113 17.255 -30.769 -20.775 1.00 0.00 H new ATOM 0 HA2 GLY A 113 17.710 -30.689 -23.334 1.00 0.00 H new ATOM 0 HA3 GLY A 113 16.409 -29.515 -23.307 1.00 0.00 H new TER 1683 GLY A 113