USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= -0.0835 X(o=-0.084,f=-0.1) USER MOD Single : A 1 HIS N :NH3+ -162:sc= 0 (180deg=-0.199) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 45:sc= 0.278 USER MOD Single : A 10 TYR OH : rot 19:sc= 0.381 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 13 GLN : amide:sc= -0.381 K(o=-0.38,f=1.1) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00151 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -139:sc= -12.5! (180deg=-15.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= -0.387 (180deg=-0.387) USER MOD Single : A 22 SER OG : rot 180:sc= -0.103 USER MOD Single : A 23 TYR OH : rot 150:sc= 0 USER MOD Single : A 26 THR OG1 : rot 76:sc= -1.19 USER MOD Single : A 27 SER OG : rot 81:sc= -0.214 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 110:sc= -1.86 USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= 0.269 (180deg=0.00565) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.17) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.005) USER MOD Single : A 58 MET CE :methyl -139:sc= -1.99! (180deg=-2.43) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 0.0198 (180deg=0.0186) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 4.881 -43.200 4.375 1.00 0.00 N ATOM 2 CA HIS A 1 4.310 -42.761 3.069 1.00 0.00 C ATOM 3 C HIS A 1 4.425 -41.241 2.924 1.00 0.00 C ATOM 4 O HIS A 1 3.825 -40.491 3.667 1.00 0.00 O ATOM 5 CB HIS A 1 2.842 -43.187 3.116 1.00 0.00 C ATOM 6 CG HIS A 1 2.754 -44.689 3.127 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.435 -45.404 4.272 1.00 0.00 N ATOM 8 CD2 HIS A 1 2.941 -45.626 2.141 1.00 0.00 C ATOM 9 CE1 HIS A 1 2.439 -46.710 3.949 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.743 -46.901 2.662 1.00 0.00 N ATOM 0 H1 HIS A 1 5.079 -44.220 4.342 1.00 0.00 H new ATOM 0 H2 HIS A 1 5.763 -42.682 4.560 1.00 0.00 H new ATOM 0 H3 HIS A 1 4.199 -43.004 5.135 1.00 0.00 H new ATOM 0 HA HIS A 1 4.835 -43.200 2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 1 2.362 -42.778 4.005 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.309 -42.787 2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.202 -45.407 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.223 -47.507 4.645 1.00 0.00 H new ATOM 0 HE2 HIS A 1 2.815 -47.790 2.168 1.00 0.00 H new ATOM 20 N PHE A 2 5.192 -40.784 1.972 1.00 0.00 N ATOM 21 CA PHE A 2 5.346 -39.312 1.780 1.00 0.00 C ATOM 22 C PHE A 2 3.973 -38.645 1.666 1.00 0.00 C ATOM 23 O PHE A 2 3.220 -38.902 0.748 1.00 0.00 O ATOM 24 CB PHE A 2 6.124 -39.164 0.471 1.00 0.00 C ATOM 25 CG PHE A 2 6.781 -37.805 0.427 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.021 -36.668 0.131 1.00 0.00 C ATOM 27 CD2 PHE A 2 8.153 -37.683 0.683 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.630 -35.408 0.090 1.00 0.00 C ATOM 29 CE2 PHE A 2 8.763 -36.423 0.642 1.00 0.00 C ATOM 30 CZ PHE A 2 8.001 -35.286 0.345 1.00 0.00 C ATOM 0 H PHE A 2 5.718 -41.365 1.319 1.00 0.00 H new ATOM 0 HA PHE A 2 5.859 -38.838 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 2 6.878 -39.947 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 2 5.452 -39.283 -0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.963 -36.763 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 2 8.740 -38.560 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.043 -34.531 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 2 9.821 -36.328 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.472 -34.314 0.313 1.00 0.00 H new ATOM 40 N ALA A 3 3.642 -37.786 2.593 1.00 0.00 N ATOM 41 CA ALA A 3 2.318 -37.100 2.538 1.00 0.00 C ATOM 42 C ALA A 3 2.429 -35.689 3.123 1.00 0.00 C ATOM 43 O ALA A 3 3.166 -35.451 4.058 1.00 0.00 O ATOM 44 CB ALA A 3 1.389 -37.962 3.393 1.00 0.00 C ATOM 0 H ALA A 3 4.231 -37.530 3.386 1.00 0.00 H new ATOM 0 HA ALA A 3 1.951 -36.993 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.392 -37.522 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.338 -38.967 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.774 -38.012 4.412 1.00 0.00 H new ATOM 50 N ALA A 4 1.700 -34.753 2.580 1.00 0.00 N ATOM 51 CA ALA A 4 1.763 -33.359 3.105 1.00 0.00 C ATOM 52 C ALA A 4 0.750 -33.175 4.242 1.00 0.00 C ATOM 53 O ALA A 4 -0.165 -33.957 4.401 1.00 0.00 O ATOM 54 CB ALA A 4 1.404 -32.471 1.914 1.00 0.00 C ATOM 0 H ALA A 4 1.063 -34.893 1.795 1.00 0.00 H new ATOM 0 HA ALA A 4 2.744 -33.114 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.428 -31.425 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.123 -32.631 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.404 -32.723 1.561 1.00 0.00 H new ATOM 60 N ASP A 5 0.908 -32.146 5.034 1.00 0.00 N ATOM 61 CA ASP A 5 -0.048 -31.918 6.157 1.00 0.00 C ATOM 62 C ASP A 5 -1.346 -31.302 5.631 1.00 0.00 C ATOM 63 O ASP A 5 -1.417 -30.847 4.507 1.00 0.00 O ATOM 64 CB ASP A 5 0.661 -30.939 7.092 1.00 0.00 C ATOM 65 CG ASP A 5 1.714 -31.685 7.914 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.717 -32.075 7.340 1.00 0.00 O ATOM 67 OD2 ASP A 5 1.500 -31.852 9.102 1.00 0.00 O ATOM 0 H ASP A 5 1.655 -31.456 4.952 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.315 -32.846 6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.133 -30.145 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.063 -30.464 7.754 1.00 0.00 H new ATOM 72 N CYS A 6 -2.371 -31.276 6.440 1.00 0.00 N ATOM 73 CA CYS A 6 -3.666 -30.687 5.987 1.00 0.00 C ATOM 74 C CYS A 6 -4.260 -29.828 7.109 1.00 0.00 C ATOM 75 O CYS A 6 -4.022 -30.068 8.276 1.00 0.00 O ATOM 76 CB CYS A 6 -4.589 -31.881 5.688 1.00 0.00 C ATOM 77 SG CYS A 6 -3.649 -33.255 4.962 1.00 0.00 S ATOM 0 H CYS A 6 -2.368 -31.637 7.394 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.541 -30.051 5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.074 -32.211 6.607 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.379 -31.573 5.004 1.00 0.00 H new ATOM 82 N CYS A 7 -5.024 -28.825 6.769 1.00 0.00 N ATOM 83 CA CYS A 7 -5.620 -27.956 7.824 1.00 0.00 C ATOM 84 C CYS A 7 -6.984 -28.496 8.261 1.00 0.00 C ATOM 85 O CYS A 7 -7.784 -28.924 7.452 1.00 0.00 O ATOM 86 CB CYS A 7 -5.778 -26.587 7.167 1.00 0.00 C ATOM 87 SG CYS A 7 -4.429 -25.501 7.692 1.00 0.00 S ATOM 0 H CYS A 7 -5.261 -28.570 5.810 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.997 -27.915 8.717 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.773 -26.691 6.082 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.738 -26.150 7.441 1.00 0.00 H new ATOM 92 N THR A 8 -7.256 -28.469 9.536 1.00 0.00 N ATOM 93 CA THR A 8 -8.569 -28.969 10.038 1.00 0.00 C ATOM 94 C THR A 8 -9.459 -27.785 10.422 1.00 0.00 C ATOM 95 O THR A 8 -10.665 -27.902 10.526 1.00 0.00 O ATOM 96 CB THR A 8 -8.229 -29.805 11.271 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.383 -30.517 11.694 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.751 -28.885 12.398 1.00 0.00 C ATOM 0 H THR A 8 -6.623 -28.121 10.256 1.00 0.00 H new ATOM 0 HA THR A 8 -9.109 -29.551 9.291 1.00 0.00 H new ATOM 0 HB THR A 8 -7.438 -30.513 11.023 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.165 -31.054 12.484 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.509 -29.482 13.277 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.864 -28.342 12.073 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.540 -28.175 12.648 1.00 0.00 H new ATOM 106 N SER A 9 -8.864 -26.646 10.629 1.00 0.00 N ATOM 107 CA SER A 9 -9.647 -25.435 11.005 1.00 0.00 C ATOM 108 C SER A 9 -8.798 -24.190 10.744 1.00 0.00 C ATOM 109 O SER A 9 -7.609 -24.185 10.989 1.00 0.00 O ATOM 110 CB SER A 9 -9.935 -25.591 12.499 1.00 0.00 C ATOM 111 OG SER A 9 -11.285 -25.990 12.681 1.00 0.00 O ATOM 0 H SER A 9 -7.857 -26.499 10.553 1.00 0.00 H new ATOM 0 HA SER A 9 -10.569 -25.331 10.433 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.264 -26.331 12.934 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.750 -24.650 13.016 1.00 0.00 H new ATOM 0 HG SER A 9 -11.504 -26.702 12.044 1.00 0.00 H new ATOM 117 N TYR A 10 -9.386 -23.141 10.241 1.00 0.00 N ATOM 118 CA TYR A 10 -8.590 -21.912 9.955 1.00 0.00 C ATOM 119 C TYR A 10 -8.569 -20.985 11.173 1.00 0.00 C ATOM 120 O TYR A 10 -9.363 -21.117 12.083 1.00 0.00 O ATOM 121 CB TYR A 10 -9.306 -21.251 8.777 1.00 0.00 C ATOM 122 CG TYR A 10 -9.375 -22.229 7.628 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.195 -22.717 7.055 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.617 -22.653 7.140 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.255 -23.626 5.993 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.678 -23.564 6.078 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.496 -24.051 5.504 1.00 0.00 C ATOM 128 OH TYR A 10 -9.557 -24.948 4.457 1.00 0.00 O ATOM 0 H TYR A 10 -10.379 -23.080 10.016 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.548 -22.138 9.726 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.310 -20.945 9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.775 -20.350 8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.237 -22.392 7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.528 -22.278 7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.344 -24.000 5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.636 -23.891 5.701 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.698 -25.412 4.373 1.00 0.00 H new ATOM 138 N ILE A 11 -7.657 -20.049 11.198 1.00 0.00 N ATOM 139 CA ILE A 11 -7.576 -19.118 12.360 1.00 0.00 C ATOM 140 C ILE A 11 -8.879 -18.323 12.488 1.00 0.00 C ATOM 141 O ILE A 11 -9.645 -18.213 11.551 1.00 0.00 O ATOM 142 CB ILE A 11 -6.395 -18.177 12.064 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.818 -17.108 11.052 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.208 -18.966 11.504 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.054 -17.759 9.688 1.00 0.00 C ATOM 0 H ILE A 11 -6.966 -19.890 10.465 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.431 -19.653 13.299 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.095 -17.698 12.996 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.727 -16.611 11.391 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.046 -16.342 10.972 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.382 -18.285 11.300 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.891 -19.713 12.232 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.505 -19.463 10.580 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.355 -16.997 8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.135 -18.236 9.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.841 -18.508 9.774 1.00 0.00 H new ATOM 157 N SER A 12 -9.135 -17.769 13.640 1.00 0.00 N ATOM 158 CA SER A 12 -10.382 -16.981 13.831 1.00 0.00 C ATOM 159 C SER A 12 -10.111 -15.495 13.573 1.00 0.00 C ATOM 160 O SER A 12 -10.988 -14.663 13.687 1.00 0.00 O ATOM 161 CB SER A 12 -10.766 -17.218 15.292 1.00 0.00 C ATOM 162 OG SER A 12 -10.793 -15.980 15.989 1.00 0.00 O ATOM 0 H SER A 12 -8.531 -17.829 14.460 1.00 0.00 H new ATOM 0 HA SER A 12 -11.176 -17.277 13.146 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.743 -17.699 15.348 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.051 -17.894 15.761 1.00 0.00 H new ATOM 0 HG SER A 12 -11.041 -16.136 16.924 1.00 0.00 H new ATOM 168 N GLN A 13 -8.898 -15.159 13.229 1.00 0.00 N ATOM 169 CA GLN A 13 -8.562 -13.731 12.964 1.00 0.00 C ATOM 170 C GLN A 13 -7.600 -13.632 11.778 1.00 0.00 C ATOM 171 O GLN A 13 -7.360 -14.596 11.080 1.00 0.00 O ATOM 172 CB GLN A 13 -7.882 -13.244 14.243 1.00 0.00 C ATOM 173 CG GLN A 13 -6.813 -14.254 14.669 1.00 0.00 C ATOM 174 CD GLN A 13 -5.556 -13.510 15.125 1.00 0.00 C ATOM 175 OE1 GLN A 13 -4.834 -12.961 14.316 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.263 -13.469 16.396 1.00 0.00 N ATOM 0 H GLN A 13 -8.123 -15.813 13.120 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.441 -13.136 12.716 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.429 -12.267 14.077 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.620 -13.123 15.036 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.191 -14.879 15.478 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.574 -14.918 13.838 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.869 -13.930 17.074 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.428 -12.976 16.711 1.00 0.00 H new ATOM 185 N SER A 14 -7.043 -12.477 11.548 1.00 0.00 N ATOM 186 CA SER A 14 -6.093 -12.328 10.411 1.00 0.00 C ATOM 187 C SER A 14 -4.851 -13.186 10.661 1.00 0.00 C ATOM 188 O SER A 14 -4.532 -13.516 11.786 1.00 0.00 O ATOM 189 CB SER A 14 -5.727 -10.844 10.389 1.00 0.00 C ATOM 190 OG SER A 14 -6.913 -10.064 10.369 1.00 0.00 O ATOM 0 H SER A 14 -7.203 -11.632 12.096 1.00 0.00 H new ATOM 0 HA SER A 14 -6.522 -12.650 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.129 -10.593 11.265 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.118 -10.622 9.513 1.00 0.00 H new ATOM 0 HG SER A 14 -6.679 -9.113 10.357 1.00 0.00 H new ATOM 196 N ILE A 15 -4.145 -13.552 9.627 1.00 0.00 N ATOM 197 CA ILE A 15 -2.928 -14.388 9.821 1.00 0.00 C ATOM 198 C ILE A 15 -1.813 -13.547 10.455 1.00 0.00 C ATOM 199 O ILE A 15 -1.542 -12.446 10.020 1.00 0.00 O ATOM 200 CB ILE A 15 -2.531 -14.839 8.417 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.514 -15.904 7.928 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.122 -15.428 8.453 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.300 -17.193 8.724 1.00 0.00 C ATOM 0 H ILE A 15 -4.357 -13.309 8.659 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.105 -15.236 10.483 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.552 -13.985 7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.539 -15.553 8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.366 -16.091 6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.837 -15.751 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.420 -14.671 8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.102 -16.283 9.129 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.999 -17.954 8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.279 -17.545 8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.470 -16.999 9.783 1.00 0.00 H new ATOM 215 N PRO A 16 -1.215 -14.097 11.475 1.00 0.00 N ATOM 216 CA PRO A 16 -0.127 -13.394 12.195 1.00 0.00 C ATOM 217 C PRO A 16 1.203 -13.516 11.439 1.00 0.00 C ATOM 218 O PRO A 16 2.125 -14.165 11.889 1.00 0.00 O ATOM 219 CB PRO A 16 -0.057 -14.126 13.531 1.00 0.00 C ATOM 220 CG PRO A 16 -0.608 -15.497 13.266 1.00 0.00 C ATOM 221 CD PRO A 16 -1.498 -15.414 12.048 1.00 0.00 C ATOM 0 HA PRO A 16 -0.311 -12.325 12.301 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.969 -14.179 13.896 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.640 -13.609 14.293 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.202 -16.207 13.099 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.173 -15.854 14.127 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.275 -16.211 11.339 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.550 -15.512 12.318 1.00 0.00 H new ATOM 229 N CYS A 17 1.309 -12.891 10.297 1.00 0.00 N ATOM 230 CA CYS A 17 2.581 -12.969 9.517 1.00 0.00 C ATOM 231 C CYS A 17 3.736 -12.353 10.310 1.00 0.00 C ATOM 232 O CYS A 17 4.890 -12.491 9.952 1.00 0.00 O ATOM 233 CB CYS A 17 2.319 -12.157 8.251 1.00 0.00 C ATOM 234 SG CYS A 17 0.761 -12.693 7.510 1.00 0.00 S ATOM 0 H CYS A 17 0.572 -12.330 9.870 1.00 0.00 H new ATOM 0 HA CYS A 17 2.861 -13.999 9.297 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.275 -11.094 8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.137 -12.291 7.543 1.00 0.00 H new ATOM 239 N SER A 18 3.437 -11.672 11.382 1.00 0.00 N ATOM 240 CA SER A 18 4.518 -11.039 12.194 1.00 0.00 C ATOM 241 C SER A 18 5.386 -12.101 12.878 1.00 0.00 C ATOM 242 O SER A 18 6.327 -11.784 13.579 1.00 0.00 O ATOM 243 CB SER A 18 3.785 -10.195 13.238 1.00 0.00 C ATOM 244 OG SER A 18 4.622 -9.126 13.655 1.00 0.00 O ATOM 0 H SER A 18 2.490 -11.526 11.732 1.00 0.00 H new ATOM 0 HA SER A 18 5.190 -10.443 11.577 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.858 -9.803 12.819 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.512 -10.812 14.094 1.00 0.00 H new ATOM 0 HG SER A 18 4.152 -8.584 14.323 1.00 0.00 H new ATOM 250 N LEU A 19 5.084 -13.354 12.684 1.00 0.00 N ATOM 251 CA LEU A 19 5.898 -14.420 13.329 1.00 0.00 C ATOM 252 C LEU A 19 6.053 -15.614 12.383 1.00 0.00 C ATOM 253 O LEU A 19 6.547 -16.655 12.768 1.00 0.00 O ATOM 254 CB LEU A 19 5.102 -14.824 14.569 1.00 0.00 C ATOM 255 CG LEU A 19 5.643 -14.077 15.789 1.00 0.00 C ATOM 256 CD1 LEU A 19 4.803 -12.821 16.033 1.00 0.00 C ATOM 257 CD2 LEU A 19 5.566 -14.986 17.017 1.00 0.00 C ATOM 0 H LEU A 19 4.310 -13.685 12.108 1.00 0.00 H new ATOM 0 HA LEU A 19 6.903 -14.079 13.578 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.046 -14.594 14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.175 -15.900 14.726 1.00 0.00 H new ATOM 0 HG LEU A 19 6.680 -13.792 15.610 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.189 -12.289 16.903 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.855 -12.173 15.158 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.766 -13.106 16.212 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.951 -14.455 17.887 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.529 -15.270 17.195 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.163 -15.882 16.845 1.00 0.00 H new ATOM 269 N MET A 20 5.635 -15.480 11.152 1.00 0.00 N ATOM 270 CA MET A 20 5.767 -16.627 10.208 1.00 0.00 C ATOM 271 C MET A 20 7.057 -16.513 9.396 1.00 0.00 C ATOM 272 O MET A 20 7.352 -15.490 8.811 1.00 0.00 O ATOM 273 CB MET A 20 4.552 -16.566 9.277 1.00 0.00 C ATOM 274 CG MET A 20 3.288 -16.224 10.073 1.00 0.00 C ATOM 275 SD MET A 20 2.656 -17.718 10.872 1.00 0.00 S ATOM 276 CE MET A 20 0.905 -17.404 10.550 1.00 0.00 C ATOM 0 H MET A 20 5.213 -14.637 10.763 1.00 0.00 H new ATOM 0 HA MET A 20 5.807 -17.572 10.749 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.716 -15.817 8.503 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.424 -17.523 8.772 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.512 -15.465 10.822 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.531 -15.805 9.411 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.320 -17.669 11.431 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.761 -16.348 10.323 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.577 -18.006 9.702 1.00 0.00 H new ATOM 286 N LYS A 21 7.816 -17.567 9.354 1.00 0.00 N ATOM 287 CA LYS A 21 9.087 -17.551 8.577 1.00 0.00 C ATOM 288 C LYS A 21 8.858 -18.143 7.182 1.00 0.00 C ATOM 289 O LYS A 21 9.580 -17.853 6.250 1.00 0.00 O ATOM 290 CB LYS A 21 10.049 -18.427 9.381 1.00 0.00 C ATOM 291 CG LYS A 21 9.504 -19.855 9.444 1.00 0.00 C ATOM 292 CD LYS A 21 10.643 -20.821 9.773 1.00 0.00 C ATOM 293 CE LYS A 21 10.070 -22.213 10.042 1.00 0.00 C ATOM 294 NZ LYS A 21 9.885 -22.818 8.693 1.00 0.00 N ATOM 0 H LYS A 21 7.611 -18.447 9.827 1.00 0.00 H new ATOM 0 HA LYS A 21 9.475 -16.543 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.036 -18.423 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.168 -18.027 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.723 -19.925 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.048 -20.124 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.350 -20.861 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.193 -20.468 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.749 -22.809 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.125 -22.154 10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.494 -23.777 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.229 -22.233 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.803 -22.867 8.206 1.00 0.00 H new ATOM 308 N SER A 22 7.857 -18.970 7.034 1.00 0.00 N ATOM 309 CA SER A 22 7.584 -19.580 5.700 1.00 0.00 C ATOM 310 C SER A 22 6.104 -19.955 5.586 1.00 0.00 C ATOM 311 O SER A 22 5.360 -19.864 6.538 1.00 0.00 O ATOM 312 CB SER A 22 8.463 -20.831 5.650 1.00 0.00 C ATOM 313 OG SER A 22 8.283 -21.486 4.403 1.00 0.00 O ATOM 0 H SER A 22 7.218 -19.249 7.778 1.00 0.00 H new ATOM 0 HA SER A 22 7.802 -18.898 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.510 -20.558 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.203 -21.504 6.467 1.00 0.00 H new ATOM 0 HG SER A 22 8.847 -22.287 4.370 1.00 0.00 H new ATOM 319 N TYR A 23 5.671 -20.368 4.427 1.00 0.00 N ATOM 320 CA TYR A 23 4.235 -20.748 4.255 1.00 0.00 C ATOM 321 C TYR A 23 4.105 -21.832 3.176 1.00 0.00 C ATOM 322 O TYR A 23 4.888 -21.882 2.247 1.00 0.00 O ATOM 323 CB TYR A 23 3.547 -19.456 3.813 1.00 0.00 C ATOM 324 CG TYR A 23 4.001 -19.104 2.418 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.497 -19.808 1.318 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.930 -18.075 2.226 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.924 -19.482 0.024 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.357 -17.750 0.933 1.00 0.00 C ATOM 329 CZ TYR A 23 4.853 -18.453 -0.168 1.00 0.00 C ATOM 330 OH TYR A 23 5.275 -18.133 -1.442 1.00 0.00 O ATOM 0 H TYR A 23 6.247 -20.460 3.590 1.00 0.00 H new ATOM 0 HA TYR A 23 3.794 -21.155 5.165 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.464 -19.580 3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.789 -18.647 4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.780 -20.602 1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.317 -17.532 3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.536 -20.025 -0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.075 -16.957 0.785 1.00 0.00 H new ATOM 0 HH TYR A 23 5.503 -17.181 -1.481 1.00 0.00 H new ATOM 340 N PHE A 24 3.129 -22.699 3.278 1.00 0.00 N ATOM 341 CA PHE A 24 2.979 -23.759 2.235 1.00 0.00 C ATOM 342 C PHE A 24 1.510 -24.158 2.070 1.00 0.00 C ATOM 343 O PHE A 24 0.764 -24.229 3.024 1.00 0.00 O ATOM 344 CB PHE A 24 3.817 -24.944 2.735 1.00 0.00 C ATOM 345 CG PHE A 24 3.018 -25.789 3.707 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.061 -26.702 3.232 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.237 -25.662 5.084 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.331 -27.482 4.137 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.505 -26.444 5.986 1.00 0.00 C ATOM 350 CZ PHE A 24 1.552 -27.354 5.512 1.00 0.00 C ATOM 0 H PHE A 24 2.438 -22.720 4.028 1.00 0.00 H new ATOM 0 HA PHE A 24 3.314 -23.414 1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.134 -25.554 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.721 -24.578 3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.889 -26.802 2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.971 -24.960 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.596 -28.184 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.676 -26.345 7.048 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.988 -27.957 6.208 1.00 0.00 H new ATOM 360 N GLU A 25 1.100 -24.441 0.865 1.00 0.00 N ATOM 361 CA GLU A 25 -0.311 -24.859 0.636 1.00 0.00 C ATOM 362 C GLU A 25 -0.403 -26.384 0.705 1.00 0.00 C ATOM 363 O GLU A 25 0.564 -27.081 0.477 1.00 0.00 O ATOM 364 CB GLU A 25 -0.660 -24.357 -0.766 1.00 0.00 C ATOM 365 CG GLU A 25 0.410 -24.820 -1.757 1.00 0.00 C ATOM 366 CD GLU A 25 -0.216 -24.991 -3.142 1.00 0.00 C ATOM 367 OE1 GLU A 25 -1.078 -24.197 -3.484 1.00 0.00 O ATOM 368 OE2 GLU A 25 0.178 -25.912 -3.838 1.00 0.00 O ATOM 0 H GLU A 25 1.682 -24.401 0.028 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.996 -24.456 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.637 -24.736 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.726 -23.269 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.220 -24.092 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.845 -25.762 -1.424 1.00 0.00 H new ATOM 375 N THR A 26 -1.551 -26.910 1.025 1.00 0.00 N ATOM 376 CA THR A 26 -1.683 -28.391 1.112 1.00 0.00 C ATOM 377 C THR A 26 -1.832 -28.992 -0.288 1.00 0.00 C ATOM 378 O THR A 26 -1.621 -28.329 -1.284 1.00 0.00 O ATOM 379 CB THR A 26 -2.948 -28.630 1.939 1.00 0.00 C ATOM 380 OG1 THR A 26 -4.061 -28.047 1.277 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.784 -27.996 3.321 1.00 0.00 C ATOM 0 H THR A 26 -2.400 -26.383 1.229 1.00 0.00 H new ATOM 0 HA THR A 26 -0.808 -28.858 1.565 1.00 0.00 H new ATOM 0 HB THR A 26 -3.112 -29.702 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.324 -28.611 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.686 -28.167 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.930 -28.445 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.620 -26.924 3.212 1.00 0.00 H new ATOM 389 N SER A 27 -2.192 -30.243 -0.373 1.00 0.00 N ATOM 390 CA SER A 27 -2.350 -30.880 -1.713 1.00 0.00 C ATOM 391 C SER A 27 -3.743 -31.482 -1.871 1.00 0.00 C ATOM 392 O SER A 27 -4.547 -31.477 -0.961 1.00 0.00 O ATOM 393 CB SER A 27 -1.307 -31.991 -1.757 1.00 0.00 C ATOM 394 OG SER A 27 -1.732 -33.005 -2.654 1.00 0.00 O ATOM 0 H SER A 27 -2.383 -30.851 0.424 1.00 0.00 H new ATOM 0 HA SER A 27 -2.221 -30.152 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.345 -31.589 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.163 -32.409 -0.761 1.00 0.00 H new ATOM 0 HG SER A 27 -1.526 -32.736 -3.573 1.00 0.00 H new ATOM 400 N SER A 28 -4.021 -32.014 -3.027 1.00 0.00 N ATOM 401 CA SER A 28 -5.355 -32.640 -3.262 1.00 0.00 C ATOM 402 C SER A 28 -5.459 -33.942 -2.472 1.00 0.00 C ATOM 403 O SER A 28 -6.534 -34.440 -2.201 1.00 0.00 O ATOM 404 CB SER A 28 -5.413 -32.911 -4.766 1.00 0.00 C ATOM 405 OG SER A 28 -6.763 -33.116 -5.156 1.00 0.00 O ATOM 0 H SER A 28 -3.382 -32.043 -3.822 1.00 0.00 H new ATOM 0 HA SER A 28 -6.178 -32.002 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.988 -32.071 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.814 -33.788 -5.012 1.00 0.00 H new ATOM 0 HG SER A 28 -6.802 -33.288 -6.120 1.00 0.00 H new ATOM 411 N GLU A 29 -4.340 -34.487 -2.099 1.00 0.00 N ATOM 412 CA GLU A 29 -4.341 -35.755 -1.319 1.00 0.00 C ATOM 413 C GLU A 29 -4.790 -35.475 0.116 1.00 0.00 C ATOM 414 O GLU A 29 -5.257 -36.352 0.815 1.00 0.00 O ATOM 415 CB GLU A 29 -2.891 -36.240 -1.347 1.00 0.00 C ATOM 416 CG GLU A 29 -2.809 -37.643 -0.739 1.00 0.00 C ATOM 417 CD GLU A 29 -1.462 -38.273 -1.097 1.00 0.00 C ATOM 418 OE1 GLU A 29 -0.447 -37.675 -0.783 1.00 0.00 O ATOM 419 OE2 GLU A 29 -1.469 -39.346 -1.680 1.00 0.00 O ATOM 0 H GLU A 29 -3.415 -34.107 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.022 -36.500 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.521 -36.254 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.256 -35.553 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.922 -37.589 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.624 -38.262 -1.114 1.00 0.00 H new ATOM 426 N CYS A 30 -4.655 -34.254 0.559 1.00 0.00 N ATOM 427 CA CYS A 30 -5.077 -33.914 1.944 1.00 0.00 C ATOM 428 C CYS A 30 -6.603 -33.943 2.050 1.00 0.00 C ATOM 429 O CYS A 30 -7.305 -33.510 1.159 1.00 0.00 O ATOM 430 CB CYS A 30 -4.558 -32.498 2.176 1.00 0.00 C ATOM 431 SG CYS A 30 -3.044 -32.564 3.162 1.00 0.00 S ATOM 0 H CYS A 30 -4.270 -33.478 0.020 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.690 -34.619 2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.362 -32.010 1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.313 -31.902 2.689 1.00 0.00 H new ATOM 436 N SER A 31 -7.120 -34.449 3.135 1.00 0.00 N ATOM 437 CA SER A 31 -8.601 -34.501 3.297 1.00 0.00 C ATOM 438 C SER A 31 -9.184 -33.088 3.299 1.00 0.00 C ATOM 439 O SER A 31 -10.379 -32.894 3.201 1.00 0.00 O ATOM 440 CB SER A 31 -8.829 -35.184 4.646 1.00 0.00 C ATOM 441 OG SER A 31 -9.736 -36.264 4.484 1.00 0.00 O ATOM 0 H SER A 31 -6.583 -34.828 3.915 1.00 0.00 H new ATOM 0 HA SER A 31 -9.087 -35.039 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.882 -35.547 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.225 -34.468 5.366 1.00 0.00 H new ATOM 0 HG SER A 31 -9.880 -36.702 5.348 1.00 0.00 H new ATOM 447 N LYS A 32 -8.344 -32.100 3.413 1.00 0.00 N ATOM 448 CA LYS A 32 -8.838 -30.693 3.424 1.00 0.00 C ATOM 449 C LYS A 32 -7.752 -29.746 2.908 1.00 0.00 C ATOM 450 O LYS A 32 -6.609 -29.833 3.313 1.00 0.00 O ATOM 451 CB LYS A 32 -9.154 -30.398 4.890 1.00 0.00 C ATOM 452 CG LYS A 32 -10.558 -30.909 5.221 1.00 0.00 C ATOM 453 CD LYS A 32 -11.147 -30.077 6.360 1.00 0.00 C ATOM 454 CE LYS A 32 -12.165 -29.085 5.793 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.457 -29.827 5.781 1.00 0.00 N ATOM 0 H LYS A 32 -7.333 -32.204 3.499 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.708 -30.556 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.419 -30.878 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.092 -29.326 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.197 -30.844 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.516 -31.960 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.626 -30.729 7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.354 -29.542 6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.230 -28.189 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.886 -28.762 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.207 -29.212 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.367 -30.671 5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.700 -30.116 6.750 1.00 0.00 H new ATOM 469 N PRO A 33 -8.146 -28.867 2.027 1.00 0.00 N ATOM 470 CA PRO A 33 -7.192 -27.891 1.452 1.00 0.00 C ATOM 471 C PRO A 33 -6.868 -26.796 2.467 1.00 0.00 C ATOM 472 O PRO A 33 -7.382 -26.781 3.568 1.00 0.00 O ATOM 473 CB PRO A 33 -7.941 -27.312 0.259 1.00 0.00 C ATOM 474 CG PRO A 33 -9.392 -27.505 0.575 1.00 0.00 C ATOM 475 CD PRO A 33 -9.501 -28.702 1.489 1.00 0.00 C ATOM 0 HA PRO A 33 -6.240 -28.342 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.705 -26.257 0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.667 -27.824 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.801 -26.617 1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.965 -27.666 -0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.227 -28.532 2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.825 -29.590 0.946 1.00 0.00 H new ATOM 483 N GLY A 34 -6.020 -25.879 2.102 1.00 0.00 N ATOM 484 CA GLY A 34 -5.661 -24.781 3.042 1.00 0.00 C ATOM 485 C GLY A 34 -4.142 -24.631 3.096 1.00 0.00 C ATOM 486 O GLY A 34 -3.406 -25.552 2.809 1.00 0.00 O ATOM 0 H GLY A 34 -5.559 -25.841 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.118 -23.846 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.051 -24.998 4.037 1.00 0.00 H new ATOM 490 N VAL A 35 -3.668 -23.477 3.468 1.00 0.00 N ATOM 491 CA VAL A 35 -2.194 -23.267 3.546 1.00 0.00 C ATOM 492 C VAL A 35 -1.773 -23.078 5.005 1.00 0.00 C ATOM 493 O VAL A 35 -2.365 -22.311 5.738 1.00 0.00 O ATOM 494 CB VAL A 35 -1.919 -21.997 2.733 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.988 -20.944 3.038 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.541 -21.441 3.101 1.00 0.00 C ATOM 0 H VAL A 35 -4.236 -22.669 3.722 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.634 -24.118 3.157 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.944 -22.240 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.788 -20.043 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.970 -21.335 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.968 -20.703 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.347 -20.538 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.517 -21.203 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.223 -22.186 2.879 1.00 0.00 H new ATOM 506 N ILE A 36 -0.754 -23.770 5.433 1.00 0.00 N ATOM 507 CA ILE A 36 -0.301 -23.625 6.842 1.00 0.00 C ATOM 508 C ILE A 36 0.989 -22.804 6.891 1.00 0.00 C ATOM 509 O ILE A 36 1.952 -23.104 6.214 1.00 0.00 O ATOM 510 CB ILE A 36 -0.059 -25.059 7.333 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.376 -25.648 7.842 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.969 -25.064 8.471 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.099 -26.968 8.567 1.00 0.00 C ATOM 0 H ILE A 36 -0.217 -24.428 4.868 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.030 -23.107 7.465 1.00 0.00 H new ATOM 0 HB ILE A 36 0.323 -25.657 6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.864 -24.945 8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.058 -25.815 7.008 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.131 -26.087 8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.910 -24.647 8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.597 -24.462 9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.037 -27.388 8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.630 -27.670 7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.432 -26.787 9.410 1.00 0.00 H new ATOM 525 N PHE A 37 1.023 -21.779 7.693 1.00 0.00 N ATOM 526 CA PHE A 37 2.262 -20.961 7.785 1.00 0.00 C ATOM 527 C PHE A 37 3.164 -21.533 8.882 1.00 0.00 C ATOM 528 O PHE A 37 2.714 -21.841 9.969 1.00 0.00 O ATOM 529 CB PHE A 37 1.801 -19.550 8.163 1.00 0.00 C ATOM 530 CG PHE A 37 1.017 -18.930 7.028 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.262 -19.409 6.717 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.560 -17.863 6.296 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.997 -18.824 5.678 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.825 -17.282 5.255 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.453 -17.761 4.947 1.00 0.00 C ATOM 0 H PHE A 37 0.251 -21.473 8.286 1.00 0.00 H new ATOM 0 HA PHE A 37 2.826 -20.959 6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.184 -19.590 9.060 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.665 -18.929 8.398 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.682 -20.230 7.279 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.545 -17.490 6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.984 -19.193 5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.245 -16.463 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.020 -17.311 4.145 1.00 0.00 H new ATOM 545 N LEU A 38 4.430 -21.668 8.614 1.00 0.00 N ATOM 546 CA LEU A 38 5.355 -22.208 9.645 1.00 0.00 C ATOM 547 C LEU A 38 6.001 -21.040 10.379 1.00 0.00 C ATOM 548 O LEU A 38 6.627 -20.196 9.777 1.00 0.00 O ATOM 549 CB LEU A 38 6.406 -22.999 8.862 1.00 0.00 C ATOM 550 CG LEU A 38 6.191 -24.498 9.079 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.317 -24.820 10.570 1.00 0.00 C ATOM 552 CD2 LEU A 38 4.798 -24.893 8.586 1.00 0.00 C ATOM 0 H LEU A 38 4.865 -21.427 7.724 1.00 0.00 H new ATOM 0 HA LEU A 38 4.856 -22.835 10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.337 -22.762 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.406 -22.714 9.188 1.00 0.00 H new ATOM 0 HG LEU A 38 6.943 -25.057 8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.164 -25.888 10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.311 -24.541 10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.566 -24.261 11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.646 -25.961 8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.044 -24.335 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.710 -24.665 7.524 1.00 0.00 H new ATOM 564 N THR A 39 5.838 -20.968 11.670 1.00 0.00 N ATOM 565 CA THR A 39 6.430 -19.829 12.426 1.00 0.00 C ATOM 566 C THR A 39 7.843 -20.171 12.889 1.00 0.00 C ATOM 567 O THR A 39 8.147 -21.301 13.218 1.00 0.00 O ATOM 568 CB THR A 39 5.512 -19.619 13.634 1.00 0.00 C ATOM 569 OG1 THR A 39 5.822 -20.580 14.634 1.00 0.00 O ATOM 570 CG2 THR A 39 4.049 -19.773 13.212 1.00 0.00 C ATOM 0 H THR A 39 5.323 -21.645 12.233 1.00 0.00 H new ATOM 0 HA THR A 39 6.504 -18.932 11.811 1.00 0.00 H new ATOM 0 HB THR A 39 5.664 -18.615 14.030 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.249 -20.134 15.395 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.403 -19.622 14.077 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.811 -19.033 12.448 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.890 -20.774 12.810 1.00 0.00 H new ATOM 578 N LYS A 40 8.710 -19.199 12.916 1.00 0.00 N ATOM 579 CA LYS A 40 10.108 -19.457 13.358 1.00 0.00 C ATOM 580 C LYS A 40 10.127 -19.859 14.836 1.00 0.00 C ATOM 581 O LYS A 40 11.015 -20.553 15.290 1.00 0.00 O ATOM 582 CB LYS A 40 10.835 -18.127 13.150 1.00 0.00 C ATOM 583 CG LYS A 40 12.213 -18.189 13.810 1.00 0.00 C ATOM 584 CD LYS A 40 13.107 -19.159 13.036 1.00 0.00 C ATOM 585 CE LYS A 40 14.412 -19.371 13.804 1.00 0.00 C ATOM 586 NZ LYS A 40 14.126 -20.495 14.739 1.00 0.00 N ATOM 0 H LYS A 40 8.510 -18.235 12.650 1.00 0.00 H new ATOM 0 HA LYS A 40 10.578 -20.269 12.804 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.939 -17.920 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.252 -17.311 13.577 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.664 -17.197 13.827 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.117 -18.514 14.846 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.595 -20.111 12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.317 -18.763 12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.232 -19.617 13.130 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.703 -18.471 14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.639 -20.344 15.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.105 -20.536 14.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.434 -21.391 14.310 1.00 0.00 H new ATOM 600 N LYS A 41 9.149 -19.431 15.590 1.00 0.00 N ATOM 601 CA LYS A 41 9.110 -19.790 17.038 1.00 0.00 C ATOM 602 C LYS A 41 8.772 -21.273 17.211 1.00 0.00 C ATOM 603 O LYS A 41 8.743 -21.790 18.311 1.00 0.00 O ATOM 604 CB LYS A 41 8.005 -18.918 17.634 1.00 0.00 C ATOM 605 CG LYS A 41 8.473 -18.350 18.976 1.00 0.00 C ATOM 606 CD LYS A 41 7.636 -18.956 20.105 1.00 0.00 C ATOM 607 CE LYS A 41 7.834 -18.135 21.382 1.00 0.00 C ATOM 608 NZ LYS A 41 6.673 -17.202 21.420 1.00 0.00 N ATOM 0 H LYS A 41 8.376 -18.849 15.266 1.00 0.00 H new ATOM 0 HA LYS A 41 10.070 -19.625 17.527 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.758 -18.106 16.949 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.098 -19.506 17.772 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.528 -18.575 19.130 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.375 -17.264 18.978 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.582 -18.967 19.826 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.931 -19.991 20.276 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.856 -18.775 22.264 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.778 -17.591 21.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.736 -16.604 22.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.682 -16.601 20.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.789 -17.749 21.447 1.00 0.00 H new ATOM 622 N GLY A 42 8.517 -21.961 16.136 1.00 0.00 N ATOM 623 CA GLY A 42 8.180 -23.408 16.238 1.00 0.00 C ATOM 624 C GLY A 42 6.667 -23.570 16.399 1.00 0.00 C ATOM 625 O GLY A 42 6.191 -24.108 17.379 1.00 0.00 O ATOM 0 H GLY A 42 8.527 -21.584 15.188 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.520 -23.935 15.347 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.697 -23.853 17.088 1.00 0.00 H new ATOM 629 N ARG A 43 5.908 -23.108 15.444 1.00 0.00 N ATOM 630 CA ARG A 43 4.425 -23.234 15.541 1.00 0.00 C ATOM 631 C ARG A 43 3.814 -23.345 14.140 1.00 0.00 C ATOM 632 O ARG A 43 4.514 -23.319 13.147 1.00 0.00 O ATOM 633 CB ARG A 43 3.965 -21.951 16.233 1.00 0.00 C ATOM 634 CG ARG A 43 3.077 -22.307 17.427 1.00 0.00 C ATOM 635 CD ARG A 43 1.725 -21.605 17.286 1.00 0.00 C ATOM 636 NE ARG A 43 1.475 -20.989 18.620 1.00 0.00 N ATOM 637 CZ ARG A 43 0.253 -20.745 19.007 1.00 0.00 C ATOM 638 NH1 ARG A 43 -0.353 -19.661 18.607 1.00 0.00 N ATOM 639 NH2 ARG A 43 -0.361 -21.583 19.795 1.00 0.00 N ATOM 0 H ARG A 43 6.250 -22.648 14.600 1.00 0.00 H new ATOM 0 HA ARG A 43 4.117 -24.123 16.091 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.828 -21.375 16.567 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.415 -21.323 15.531 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.934 -23.386 17.478 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.560 -22.005 18.356 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.751 -20.850 16.500 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.938 -22.312 17.023 1.00 0.00 H new ATOM 0 HE ARG A 43 2.259 -20.758 19.230 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.128 -19.005 17.992 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.308 -19.470 18.909 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.114 -22.429 20.109 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.316 -21.392 20.097 1.00 0.00 H new ATOM 653 N GLN A 44 2.518 -23.474 14.050 1.00 0.00 N ATOM 654 CA GLN A 44 1.876 -23.593 12.709 1.00 0.00 C ATOM 655 C GLN A 44 0.496 -22.928 12.707 1.00 0.00 C ATOM 656 O GLN A 44 -0.256 -23.028 13.656 1.00 0.00 O ATOM 657 CB GLN A 44 1.738 -25.095 12.474 1.00 0.00 C ATOM 658 CG GLN A 44 1.095 -25.746 13.700 1.00 0.00 C ATOM 659 CD GLN A 44 0.127 -26.842 13.247 1.00 0.00 C ATOM 660 OE1 GLN A 44 0.119 -27.926 13.795 1.00 0.00 O ATOM 661 NE2 GLN A 44 -0.696 -26.603 12.264 1.00 0.00 N ATOM 0 H GLN A 44 1.878 -23.502 14.844 1.00 0.00 H new ATOM 0 HA GLN A 44 2.462 -23.102 11.932 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.129 -25.281 11.589 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.717 -25.536 12.286 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.864 -26.170 14.346 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.564 -24.996 14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.690 -25.693 11.803 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.346 -27.326 11.956 1.00 0.00 H new ATOM 670 N VAL A 45 0.160 -22.257 11.641 1.00 0.00 N ATOM 671 CA VAL A 45 -1.172 -21.591 11.559 1.00 0.00 C ATOM 672 C VAL A 45 -1.978 -22.199 10.411 1.00 0.00 C ATOM 673 O VAL A 45 -1.426 -22.637 9.423 1.00 0.00 O ATOM 674 CB VAL A 45 -0.865 -20.124 11.265 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.171 -19.375 10.988 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.161 -19.496 12.470 1.00 0.00 C ATOM 0 H VAL A 45 0.752 -22.140 10.819 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.755 -21.711 12.472 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.216 -20.058 10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.952 -18.328 10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.671 -19.821 10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.821 -19.442 11.860 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.058 -18.449 12.259 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.808 -19.562 13.345 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.770 -20.029 12.666 1.00 0.00 H new ATOM 686 N CYS A 46 -3.277 -22.226 10.523 1.00 0.00 N ATOM 687 CA CYS A 46 -4.097 -22.805 9.421 1.00 0.00 C ATOM 688 C CYS A 46 -4.878 -21.699 8.712 1.00 0.00 C ATOM 689 O CYS A 46 -5.577 -20.928 9.335 1.00 0.00 O ATOM 690 CB CYS A 46 -5.051 -23.785 10.102 1.00 0.00 C ATOM 691 SG CYS A 46 -4.561 -25.482 9.707 1.00 0.00 S ATOM 0 H CYS A 46 -3.804 -21.875 11.323 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.484 -23.298 8.666 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.035 -23.633 11.181 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.073 -23.604 9.769 1.00 0.00 H new ATOM 696 N ALA A 47 -4.768 -21.611 7.417 1.00 0.00 N ATOM 697 CA ALA A 47 -5.512 -20.547 6.685 1.00 0.00 C ATOM 698 C ALA A 47 -6.269 -21.142 5.498 1.00 0.00 C ATOM 699 O ALA A 47 -5.904 -22.171 4.965 1.00 0.00 O ATOM 700 CB ALA A 47 -4.441 -19.572 6.200 1.00 0.00 C ATOM 0 H ALA A 47 -4.199 -22.226 6.835 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.253 -20.059 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.913 -18.758 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.903 -19.167 7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.742 -20.094 5.546 1.00 0.00 H new ATOM 706 N LYS A 48 -7.319 -20.496 5.076 1.00 0.00 N ATOM 707 CA LYS A 48 -8.102 -21.012 3.920 1.00 0.00 C ATOM 708 C LYS A 48 -7.246 -20.964 2.651 1.00 0.00 C ATOM 709 O LYS A 48 -6.127 -20.492 2.677 1.00 0.00 O ATOM 710 CB LYS A 48 -9.296 -20.063 3.808 1.00 0.00 C ATOM 711 CG LYS A 48 -10.542 -20.737 4.388 1.00 0.00 C ATOM 712 CD LYS A 48 -11.783 -20.261 3.630 1.00 0.00 C ATOM 713 CE LYS A 48 -12.718 -19.525 4.593 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.854 -19.062 3.746 1.00 0.00 N ATOM 0 H LYS A 48 -7.670 -19.629 5.484 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.417 -22.047 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.089 -19.136 4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.466 -19.797 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.450 -21.820 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.637 -20.499 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.492 -19.601 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.299 -21.112 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.062 -20.184 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.213 -18.685 5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.539 -18.547 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.496 -18.431 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.320 -19.884 3.311 1.00 0.00 H new ATOM 728 N PRO A 49 -7.801 -21.455 1.575 1.00 0.00 N ATOM 729 CA PRO A 49 -7.072 -21.464 0.283 1.00 0.00 C ATOM 730 C PRO A 49 -6.943 -20.041 -0.270 1.00 0.00 C ATOM 731 O PRO A 49 -5.942 -19.682 -0.857 1.00 0.00 O ATOM 732 CB PRO A 49 -7.950 -22.326 -0.618 1.00 0.00 C ATOM 733 CG PRO A 49 -9.321 -22.226 -0.027 1.00 0.00 C ATOM 734 CD PRO A 49 -9.141 -22.040 1.458 1.00 0.00 C ATOM 0 HA PRO A 49 -6.055 -21.847 0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.936 -21.965 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.602 -23.359 -0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.868 -21.388 -0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.899 -23.126 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.903 -21.381 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.212 -22.988 1.992 1.00 0.00 H new ATOM 742 N SER A 50 -7.947 -19.230 -0.084 1.00 0.00 N ATOM 743 CA SER A 50 -7.879 -17.831 -0.596 1.00 0.00 C ATOM 744 C SER A 50 -8.257 -16.844 0.511 1.00 0.00 C ATOM 745 O SER A 50 -8.844 -15.810 0.262 1.00 0.00 O ATOM 746 CB SER A 50 -8.897 -17.776 -1.736 1.00 0.00 C ATOM 747 OG SER A 50 -8.716 -18.900 -2.585 1.00 0.00 O ATOM 0 H SER A 50 -8.811 -19.474 0.400 1.00 0.00 H new ATOM 0 HA SER A 50 -6.877 -17.562 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.910 -17.770 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.774 -16.854 -2.304 1.00 0.00 H new ATOM 0 HG SER A 50 -9.369 -18.867 -3.315 1.00 0.00 H new ATOM 753 N GLY A 51 -7.923 -17.156 1.734 1.00 0.00 N ATOM 754 CA GLY A 51 -8.262 -16.236 2.856 1.00 0.00 C ATOM 755 C GLY A 51 -7.799 -14.820 2.508 1.00 0.00 C ATOM 756 O GLY A 51 -6.748 -14.635 1.927 1.00 0.00 O ATOM 0 H GLY A 51 -7.431 -18.007 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.337 -16.245 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.782 -16.572 3.775 1.00 0.00 H new ATOM 760 N PRO A 52 -8.604 -13.863 2.881 1.00 0.00 N ATOM 761 CA PRO A 52 -8.278 -12.442 2.606 1.00 0.00 C ATOM 762 C PRO A 52 -7.089 -11.995 3.459 1.00 0.00 C ATOM 763 O PRO A 52 -7.239 -11.622 4.606 1.00 0.00 O ATOM 764 CB PRO A 52 -9.551 -11.699 3.005 1.00 0.00 C ATOM 765 CG PRO A 52 -10.220 -12.599 3.994 1.00 0.00 C ATOM 766 CD PRO A 52 -9.880 -14.009 3.592 1.00 0.00 C ATOM 0 HA PRO A 52 -7.993 -12.257 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.322 -10.728 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.190 -11.515 2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.872 -12.390 5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.299 -12.445 3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.784 -14.662 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.649 -14.441 2.952 1.00 0.00 H new ATOM 774 N GLY A 53 -5.908 -12.035 2.907 1.00 0.00 N ATOM 775 CA GLY A 53 -4.708 -11.619 3.682 1.00 0.00 C ATOM 776 C GLY A 53 -3.710 -12.777 3.724 1.00 0.00 C ATOM 777 O GLY A 53 -2.517 -12.577 3.827 1.00 0.00 O ATOM 0 H GLY A 53 -5.723 -12.339 1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.249 -10.744 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.995 -11.334 4.694 1.00 0.00 H new ATOM 781 N VAL A 54 -4.190 -13.989 3.642 1.00 0.00 N ATOM 782 CA VAL A 54 -3.271 -15.165 3.670 1.00 0.00 C ATOM 783 C VAL A 54 -2.342 -15.138 2.458 1.00 0.00 C ATOM 784 O VAL A 54 -1.161 -15.401 2.564 1.00 0.00 O ATOM 785 CB VAL A 54 -4.193 -16.383 3.618 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.359 -17.648 3.407 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.967 -16.495 4.933 1.00 0.00 C ATOM 0 H VAL A 54 -5.181 -14.216 3.557 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.633 -15.174 4.554 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.895 -16.270 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.017 -18.516 3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.809 -17.569 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.655 -17.761 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.624 -17.364 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.265 -16.606 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.563 -15.595 5.082 1.00 0.00 H new ATOM 797 N GLN A 55 -2.861 -14.817 1.306 1.00 0.00 N ATOM 798 CA GLN A 55 -1.995 -14.772 0.097 1.00 0.00 C ATOM 799 C GLN A 55 -1.012 -13.614 0.223 1.00 0.00 C ATOM 800 O GLN A 55 0.147 -13.730 -0.119 1.00 0.00 O ATOM 801 CB GLN A 55 -2.951 -14.553 -1.077 1.00 0.00 C ATOM 802 CG GLN A 55 -2.146 -14.361 -2.363 1.00 0.00 C ATOM 803 CD GLN A 55 -2.471 -15.491 -3.342 1.00 0.00 C ATOM 804 OE1 GLN A 55 -2.795 -15.244 -4.487 1.00 0.00 O ATOM 805 NE2 GLN A 55 -2.398 -16.730 -2.937 1.00 0.00 N ATOM 0 H GLN A 55 -3.842 -14.585 1.150 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.409 -15.682 -0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.620 -15.407 -1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.576 -13.679 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.383 -13.397 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.079 -14.355 -2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.126 -16.937 -1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.613 -17.491 -3.582 1.00 0.00 H new ATOM 814 N ASP A 56 -1.457 -12.503 0.740 1.00 0.00 N ATOM 815 CA ASP A 56 -0.531 -11.358 0.916 1.00 0.00 C ATOM 816 C ASP A 56 0.519 -11.743 1.956 1.00 0.00 C ATOM 817 O ASP A 56 1.638 -11.270 1.934 1.00 0.00 O ATOM 818 CB ASP A 56 -1.406 -10.213 1.421 1.00 0.00 C ATOM 819 CG ASP A 56 -1.741 -9.275 0.260 1.00 0.00 C ATOM 820 OD1 ASP A 56 -1.014 -9.291 -0.720 1.00 0.00 O ATOM 821 OD2 ASP A 56 -2.720 -8.553 0.371 1.00 0.00 O ATOM 0 H ASP A 56 -2.417 -12.342 1.046 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.009 -11.077 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.323 -10.608 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.887 -9.665 2.207 1.00 0.00 H new ATOM 826 N CYS A 57 0.164 -12.622 2.857 1.00 0.00 N ATOM 827 CA CYS A 57 1.138 -13.067 3.888 1.00 0.00 C ATOM 828 C CYS A 57 2.252 -13.868 3.216 1.00 0.00 C ATOM 829 O CYS A 57 3.424 -13.598 3.395 1.00 0.00 O ATOM 830 CB CYS A 57 0.330 -13.950 4.838 1.00 0.00 C ATOM 831 SG CYS A 57 1.284 -14.242 6.340 1.00 0.00 S ATOM 0 H CYS A 57 -0.760 -13.049 2.920 1.00 0.00 H new ATOM 0 HA CYS A 57 1.608 -12.238 4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.617 -13.469 5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.090 -14.898 4.356 1.00 0.00 H new ATOM 836 N MET A 58 1.892 -14.848 2.429 1.00 0.00 N ATOM 837 CA MET A 58 2.929 -15.656 1.735 1.00 0.00 C ATOM 838 C MET A 58 3.646 -14.791 0.700 1.00 0.00 C ATOM 839 O MET A 58 4.764 -15.067 0.311 1.00 0.00 O ATOM 840 CB MET A 58 2.166 -16.782 1.044 1.00 0.00 C ATOM 841 CG MET A 58 1.253 -17.480 2.054 1.00 0.00 C ATOM 842 SD MET A 58 0.625 -19.020 1.338 1.00 0.00 S ATOM 843 CE MET A 58 -0.154 -18.294 -0.125 1.00 0.00 C ATOM 0 H MET A 58 0.928 -15.121 2.239 1.00 0.00 H new ATOM 0 HA MET A 58 3.683 -16.041 2.422 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.575 -16.382 0.220 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.866 -17.499 0.615 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.802 -17.691 2.972 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.423 -16.826 2.322 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.114 -18.778 -0.304 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.310 -17.228 0.037 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.492 -18.438 -0.991 1.00 0.00 H new ATOM 853 N LYS A 59 3.011 -13.742 0.256 1.00 0.00 N ATOM 854 CA LYS A 59 3.659 -12.854 -0.747 1.00 0.00 C ATOM 855 C LYS A 59 4.868 -12.177 -0.109 1.00 0.00 C ATOM 856 O LYS A 59 5.964 -12.214 -0.631 1.00 0.00 O ATOM 857 CB LYS A 59 2.591 -11.821 -1.108 1.00 0.00 C ATOM 858 CG LYS A 59 2.178 -12.002 -2.568 1.00 0.00 C ATOM 859 CD LYS A 59 3.299 -11.502 -3.480 1.00 0.00 C ATOM 860 CE LYS A 59 2.709 -11.077 -4.825 1.00 0.00 C ATOM 861 NZ LYS A 59 3.290 -12.029 -5.813 1.00 0.00 N ATOM 0 H LYS A 59 2.073 -13.462 0.544 1.00 0.00 H new ATOM 0 HA LYS A 59 4.010 -13.392 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.724 -11.936 -0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.977 -10.814 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.971 -13.053 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.259 -11.451 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.814 -10.661 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.040 -12.287 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.620 -11.133 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.973 -10.047 -5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.933 -11.804 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.327 -11.949 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.016 -13.000 -5.562 1.00 0.00 H new ATOM 875 N LYS A 60 4.676 -11.571 1.027 1.00 0.00 N ATOM 876 CA LYS A 60 5.815 -10.903 1.712 1.00 0.00 C ATOM 877 C LYS A 60 6.808 -11.956 2.208 1.00 0.00 C ATOM 878 O LYS A 60 7.970 -11.671 2.427 1.00 0.00 O ATOM 879 CB LYS A 60 5.190 -10.152 2.888 1.00 0.00 C ATOM 880 CG LYS A 60 5.771 -8.739 2.951 1.00 0.00 C ATOM 881 CD LYS A 60 7.288 -8.822 3.138 1.00 0.00 C ATOM 882 CE LYS A 60 7.792 -7.546 3.813 1.00 0.00 C ATOM 883 NZ LYS A 60 9.026 -7.962 4.540 1.00 0.00 N ATOM 0 H LYS A 60 3.780 -11.509 1.511 1.00 0.00 H new ATOM 0 HA LYS A 60 6.363 -10.230 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.107 -10.108 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.389 -10.681 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.535 -8.196 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.321 -8.185 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.543 -9.691 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.777 -8.952 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.008 -6.769 3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.047 -7.140 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.433 -7.141 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.788 -8.698 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.718 -8.338 3.861 1.00 0.00 H new ATOM 897 N LEU A 61 6.364 -13.174 2.384 1.00 0.00 N ATOM 898 CA LEU A 61 7.291 -14.239 2.863 1.00 0.00 C ATOM 899 C LEU A 61 8.217 -14.688 1.730 1.00 0.00 C ATOM 900 O LEU A 61 9.026 -15.579 1.894 1.00 0.00 O ATOM 901 CB LEU A 61 6.382 -15.388 3.300 1.00 0.00 C ATOM 902 CG LEU A 61 6.454 -15.542 4.821 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.285 -14.172 5.483 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.337 -16.475 5.290 1.00 0.00 C ATOM 0 H LEU A 61 5.404 -13.475 2.217 1.00 0.00 H new ATOM 0 HA LEU A 61 7.931 -13.893 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.355 -15.192 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.689 -16.314 2.815 1.00 0.00 H new ATOM 0 HG LEU A 61 7.421 -15.962 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.336 -14.282 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.080 -13.506 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.318 -13.751 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.387 -16.586 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.371 -16.054 5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.456 -17.451 4.819 1.00 0.00 H new ATOM 916 N LYS A 62 8.104 -14.082 0.580 1.00 0.00 N ATOM 917 CA LYS A 62 8.978 -14.480 -0.561 1.00 0.00 C ATOM 918 C LYS A 62 9.918 -13.334 -0.940 1.00 0.00 C ATOM 919 O LYS A 62 9.708 -12.658 -1.929 1.00 0.00 O ATOM 920 CB LYS A 62 8.016 -14.786 -1.707 1.00 0.00 C ATOM 921 CG LYS A 62 8.060 -16.283 -2.019 1.00 0.00 C ATOM 922 CD LYS A 62 9.414 -16.635 -2.637 1.00 0.00 C ATOM 923 CE LYS A 62 9.927 -17.944 -2.034 1.00 0.00 C ATOM 924 NZ LYS A 62 10.434 -18.727 -3.197 1.00 0.00 N ATOM 0 H LYS A 62 7.445 -13.329 0.381 1.00 0.00 H new ATOM 0 HA LYS A 62 9.609 -15.335 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.003 -14.489 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.291 -14.210 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.903 -16.860 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.255 -16.546 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.317 -16.734 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.129 -15.833 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.717 -17.761 -1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.132 -18.478 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.850 -19.619 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.648 -18.935 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.159 -18.174 -3.698 1.00 0.00 H new ATOM 938 N PRO A 63 10.930 -13.157 -0.135 1.00 0.00 N ATOM 939 CA PRO A 63 11.924 -12.088 -0.382 1.00 0.00 C ATOM 940 C PRO A 63 12.905 -12.520 -1.477 1.00 0.00 C ATOM 941 O PRO A 63 13.834 -13.264 -1.231 1.00 0.00 O ATOM 942 CB PRO A 63 12.636 -11.947 0.958 1.00 0.00 C ATOM 943 CG PRO A 63 12.472 -13.274 1.636 1.00 0.00 C ATOM 944 CD PRO A 63 11.236 -13.932 1.071 1.00 0.00 C ATOM 0 HA PRO A 63 11.477 -11.154 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.689 -11.704 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.199 -11.145 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.349 -13.900 1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.376 -13.143 2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.417 -14.981 0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.410 -13.903 1.782 1.00 0.00 H new ATOM 952 N TYR A 64 12.704 -12.063 -2.682 1.00 0.00 N ATOM 953 CA TYR A 64 13.625 -12.454 -3.789 1.00 0.00 C ATOM 954 C TYR A 64 14.565 -11.296 -4.135 1.00 0.00 C ATOM 955 O TYR A 64 15.007 -11.158 -5.259 1.00 0.00 O ATOM 956 CB TYR A 64 12.708 -12.773 -4.970 1.00 0.00 C ATOM 957 CG TYR A 64 12.895 -14.215 -5.376 1.00 0.00 C ATOM 958 CD1 TYR A 64 12.833 -15.226 -4.409 1.00 0.00 C ATOM 959 CD2 TYR A 64 13.131 -14.541 -6.716 1.00 0.00 C ATOM 960 CE1 TYR A 64 13.005 -16.564 -4.785 1.00 0.00 C ATOM 961 CE2 TYR A 64 13.304 -15.879 -7.092 1.00 0.00 C ATOM 962 CZ TYR A 64 13.241 -16.891 -6.126 1.00 0.00 C ATOM 963 OH TYR A 64 13.412 -18.209 -6.495 1.00 0.00 O ATOM 0 H TYR A 64 11.944 -11.437 -2.949 1.00 0.00 H new ATOM 0 HA TYR A 64 14.256 -13.301 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.668 -12.593 -4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.935 -12.115 -5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.653 -14.974 -3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 64 13.180 -13.760 -7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.956 -17.344 -4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 64 13.486 -16.130 -8.126 1.00 0.00 H new ATOM 0 HH TYR A 64 13.565 -18.261 -7.462 1.00 0.00 H new ATOM 973 N SER A 65 14.877 -10.466 -3.179 1.00 0.00 N ATOM 974 CA SER A 65 15.792 -9.322 -3.455 1.00 0.00 C ATOM 975 C SER A 65 16.890 -9.256 -2.391 1.00 0.00 C ATOM 976 O SER A 65 17.084 -8.243 -1.747 1.00 0.00 O ATOM 977 CB SER A 65 14.905 -8.078 -3.390 1.00 0.00 C ATOM 978 OG SER A 65 15.525 -7.019 -4.105 1.00 0.00 O ATOM 0 H SER A 65 14.539 -10.530 -2.219 1.00 0.00 H new ATOM 0 HA SER A 65 16.290 -9.415 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.925 -8.294 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.745 -7.786 -2.352 1.00 0.00 H new ATOM 0 HG SER A 65 14.957 -6.221 -4.066 1.00 0.00 H new ATOM 984 N ILE A 66 17.609 -10.327 -2.201 1.00 0.00 N ATOM 985 CA ILE A 66 18.693 -10.326 -1.178 1.00 0.00 C ATOM 986 C ILE A 66 19.775 -9.311 -1.557 1.00 0.00 C ATOM 987 O ILE A 66 20.653 -9.670 -2.324 1.00 0.00 O ATOM 988 CB ILE A 66 19.259 -11.747 -1.200 1.00 0.00 C ATOM 989 CG1 ILE A 66 18.132 -12.750 -0.943 1.00 0.00 C ATOM 990 CG2 ILE A 66 20.323 -11.887 -0.110 1.00 0.00 C ATOM 991 CD1 ILE A 66 18.246 -13.913 -1.931 1.00 0.00 C ATOM 992 OXT ILE A 66 19.706 -8.194 -1.073 1.00 0.00 O ATOM 0 H ILE A 66 17.493 -11.203 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 66 18.329 -10.048 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 66 19.706 -11.945 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 66 18.188 -13.122 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 66 17.164 -12.261 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 66 20.727 -12.899 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 66 21.126 -11.173 -0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 66 19.875 -11.689 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.443 -14.627 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 66 18.168 -13.534 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 66 19.208 -14.408 -1.801 1.00 0.00 H new TER 1004 ILE A 66