USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 584 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 42 HIS : no HD1:sc= -0.168 K(o=-0.24,f=-8!) USER MOD Set 1.2: A 56 HIS :FLIP no HD1:sc= -0.0675 F(o=-1,f=-0.24) USER MOD Single : A 1 ALA N :NH3+ -172:sc= 0 (180deg=-0.052) USER MOD Single : A 4 THR OG1 : rot -65:sc= 1.21 USER MOD Single : A 12 GLN : amide:sc= 2.62 K(o=2.6,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0469) USER MOD Single : A 17 THR OG1 : rot -22:sc= 0.876 USER MOD Single : A 22 SER OG : rot -170:sc= -0.0624 USER MOD Single : A 26 LYS NZ :NH3+ -176:sc=-0.00308 (180deg=-0.0369) USER MOD Single : A 27 SER OG : rot 180:sc= 0.05 USER MOD Single : A 32 THR OG1 : rot 73:sc= 0.53 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 45 SER OG : rot 82:sc= 1.23 USER MOD Single : A 46 HIS : no HD1:sc= 0.155 K(o=0.16,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0.823 (180deg=0.789) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.41 K(o=0.41,f=-0.43) USER MOD Single : A 55 MET CE :methyl -175:sc= 0 (180deg=-0.031) USER MOD Single : A 57 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.95) USER MOD Single : A 58 THR OG1 : rot -100:sc= -0.0522 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 69 GLN : amide:sc= 0.163 X(o=0.16,f=-0.21!) USER MOD Single : A 70 THR OG1 : rot -16:sc= 0.985 USER MOD Single : A 71 SER OG : rot 180:sc= -0.236 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0334) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= 0.744 (180deg=0.0543) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 173:sc=-0.00345 (180deg=-0.0711) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.115 -1.316 -13.408 1.00 0.00 N ATOM 2 CA ALA A 1 8.186 -0.365 -13.149 1.00 0.00 C ATOM 3 C ALA A 1 8.530 -0.352 -11.659 1.00 0.00 C ATOM 4 O ALA A 1 9.702 -0.442 -11.295 1.00 0.00 O ATOM 5 CB ALA A 1 7.764 1.027 -13.630 1.00 0.00 C ATOM 0 H1 ALA A 1 6.981 -1.417 -14.434 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.364 -2.239 -12.998 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.233 -0.972 -12.976 1.00 0.00 H new ATOM 0 HA ALA A 1 9.079 -0.665 -13.697 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.567 1.738 -13.435 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.559 0.995 -14.700 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.866 1.339 -13.097 1.00 0.00 H new ATOM 12 N VAL A 2 7.496 -0.272 -10.811 1.00 0.00 N ATOM 13 CA VAL A 2 7.570 -0.232 -9.351 1.00 0.00 C ATOM 14 C VAL A 2 8.673 -1.146 -8.811 1.00 0.00 C ATOM 15 O VAL A 2 9.487 -0.718 -7.997 1.00 0.00 O ATOM 16 CB VAL A 2 6.189 -0.591 -8.765 1.00 0.00 C ATOM 17 CG1 VAL A 2 6.247 -0.864 -7.255 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.189 0.544 -9.024 1.00 0.00 C ATOM 0 H VAL A 2 6.534 -0.231 -11.148 1.00 0.00 H new ATOM 0 HA VAL A 2 7.836 0.778 -9.038 1.00 0.00 H new ATOM 0 HB VAL A 2 5.866 -1.504 -9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.250 -1.112 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.922 -1.698 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.611 0.024 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.219 0.277 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.548 1.459 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.089 0.703 -10.098 1.00 0.00 H new ATOM 28 N ILE A 3 8.709 -2.391 -9.293 1.00 0.00 N ATOM 29 CA ILE A 3 9.671 -3.413 -8.895 1.00 0.00 C ATOM 30 C ILE A 3 11.114 -2.883 -8.856 1.00 0.00 C ATOM 31 O ILE A 3 11.877 -3.244 -7.963 1.00 0.00 O ATOM 32 CB ILE A 3 9.541 -4.645 -9.815 1.00 0.00 C ATOM 33 CG1 ILE A 3 8.097 -5.178 -9.928 1.00 0.00 C ATOM 34 CG2 ILE A 3 10.476 -5.776 -9.357 1.00 0.00 C ATOM 35 CD1 ILE A 3 7.425 -5.482 -8.583 1.00 0.00 C ATOM 0 H ILE A 3 8.046 -2.723 -9.994 1.00 0.00 H new ATOM 0 HA ILE A 3 9.435 -3.712 -7.874 1.00 0.00 H new ATOM 0 HB ILE A 3 9.835 -4.303 -10.807 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.494 -4.446 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.104 -6.087 -10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.365 -6.632 -10.022 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.509 -5.428 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.219 -6.071 -8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.414 -5.851 -8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.002 -6.239 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.381 -4.572 -7.984 1.00 0.00 H new ATOM 47 N THR A 4 11.504 -2.036 -9.813 1.00 0.00 N ATOM 48 CA THR A 4 12.862 -1.503 -9.867 1.00 0.00 C ATOM 49 C THR A 4 13.115 -0.451 -8.780 1.00 0.00 C ATOM 50 O THR A 4 14.250 -0.278 -8.336 1.00 0.00 O ATOM 51 CB THR A 4 13.168 -0.941 -11.264 1.00 0.00 C ATOM 52 OG1 THR A 4 12.369 0.185 -11.563 1.00 0.00 O ATOM 53 CG2 THR A 4 12.970 -1.997 -12.356 1.00 0.00 C ATOM 0 H THR A 4 10.894 -1.706 -10.561 1.00 0.00 H new ATOM 0 HA THR A 4 13.544 -2.330 -9.670 1.00 0.00 H new ATOM 0 HB THR A 4 14.215 -0.639 -11.246 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.428 -0.084 -11.607 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.196 -1.561 -13.329 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.636 -2.840 -12.172 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.936 -2.343 -12.345 1.00 0.00 H new ATOM 61 N GLY A 5 12.070 0.251 -8.332 1.00 0.00 N ATOM 62 CA GLY A 5 12.165 1.315 -7.348 1.00 0.00 C ATOM 63 C GLY A 5 12.308 0.751 -5.941 1.00 0.00 C ATOM 64 O GLY A 5 11.442 0.971 -5.098 1.00 0.00 O ATOM 0 H GLY A 5 11.117 0.086 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.021 1.950 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.277 1.945 -7.402 1.00 0.00 H new ATOM 68 N ALA A 6 13.391 0.014 -5.690 1.00 0.00 N ATOM 69 CA ALA A 6 13.691 -0.559 -4.386 1.00 0.00 C ATOM 70 C ALA A 6 13.726 0.545 -3.329 1.00 0.00 C ATOM 71 O ALA A 6 14.284 1.617 -3.559 1.00 0.00 O ATOM 72 CB ALA A 6 15.015 -1.325 -4.441 1.00 0.00 C ATOM 0 H ALA A 6 14.091 -0.202 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 6 12.908 -1.265 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.231 -1.750 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.941 -2.127 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.817 -0.645 -4.726 1.00 0.00 H new ATOM 78 N CYS A 7 13.090 0.285 -2.189 1.00 0.00 N ATOM 79 CA CYS A 7 12.935 1.222 -1.089 1.00 0.00 C ATOM 80 C CYS A 7 13.086 0.512 0.256 1.00 0.00 C ATOM 81 O CYS A 7 12.677 -0.639 0.380 1.00 0.00 O ATOM 82 CB CYS A 7 11.536 1.839 -1.203 1.00 0.00 C ATOM 83 SG CYS A 7 10.993 2.668 0.298 1.00 0.00 S ATOM 0 H CYS A 7 12.654 -0.618 -2.003 1.00 0.00 H new ATOM 0 HA CYS A 7 13.705 1.992 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.529 2.553 -2.026 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.821 1.055 -1.455 1.00 0.00 H new ATOM 88 N GLU A 8 13.633 1.197 1.268 1.00 0.00 N ATOM 89 CA GLU A 8 13.730 0.723 2.632 1.00 0.00 C ATOM 90 C GLU A 8 12.701 1.468 3.502 1.00 0.00 C ATOM 91 O GLU A 8 12.066 0.833 4.340 1.00 0.00 O ATOM 92 CB GLU A 8 15.166 0.878 3.142 1.00 0.00 C ATOM 93 CG GLU A 8 16.186 0.069 2.325 1.00 0.00 C ATOM 94 CD GLU A 8 16.602 0.778 1.037 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.272 1.827 1.163 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.244 0.265 -0.045 1.00 0.00 O ATOM 0 H GLU A 8 14.031 2.128 1.143 1.00 0.00 H new ATOM 0 HA GLU A 8 13.494 -0.340 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.443 1.932 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.211 0.562 4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.070 -0.116 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.759 -0.903 2.079 1.00 0.00 H new ATOM 103 N ARG A 9 12.535 2.791 3.326 1.00 0.00 N ATOM 104 CA ARG A 9 11.528 3.599 4.020 1.00 0.00 C ATOM 105 C ARG A 9 10.939 4.647 3.067 1.00 0.00 C ATOM 106 O ARG A 9 11.654 5.185 2.220 1.00 0.00 O ATOM 107 CB ARG A 9 12.067 4.336 5.255 1.00 0.00 C ATOM 108 CG ARG A 9 12.922 3.518 6.236 1.00 0.00 C ATOM 109 CD ARG A 9 14.407 3.490 5.854 1.00 0.00 C ATOM 110 NE ARG A 9 14.984 4.841 5.811 1.00 0.00 N ATOM 111 CZ ARG A 9 16.153 5.150 5.234 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.930 4.188 4.724 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.540 6.427 5.170 1.00 0.00 N ATOM 0 H ARG A 9 13.111 3.335 2.684 1.00 0.00 H new ATOM 0 HA ARG A 9 10.771 2.891 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.661 5.183 4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.218 4.744 5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.817 3.936 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.543 2.497 6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.956 2.883 6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.523 3.014 4.880 1.00 0.00 H new ATOM 0 HE ARG A 9 14.458 5.596 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.633 3.213 4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.819 4.429 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.947 7.160 5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.429 6.669 4.732 1.00 0.00 H new ATOM 127 N ASP A 10 9.656 4.973 3.268 1.00 0.00 N ATOM 128 CA ASP A 10 8.838 5.894 2.469 1.00 0.00 C ATOM 129 C ASP A 10 9.621 7.137 2.033 1.00 0.00 C ATOM 130 O ASP A 10 9.692 7.489 0.853 1.00 0.00 O ATOM 131 CB ASP A 10 7.628 6.375 3.292 1.00 0.00 C ATOM 132 CG ASP A 10 6.677 5.276 3.710 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.770 4.156 3.170 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.861 5.518 4.623 1.00 0.00 O ATOM 0 H ASP A 10 9.127 4.574 4.044 1.00 0.00 H new ATOM 0 HA ASP A 10 8.523 5.341 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.991 6.883 4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.077 7.112 2.708 1.00 0.00 H new ATOM 139 N LEU A 11 10.192 7.802 3.042 1.00 0.00 N ATOM 140 CA LEU A 11 10.928 9.054 2.958 1.00 0.00 C ATOM 141 C LEU A 11 11.951 9.064 1.827 1.00 0.00 C ATOM 142 O LEU A 11 12.145 10.095 1.188 1.00 0.00 O ATOM 143 CB LEU A 11 11.625 9.347 4.295 1.00 0.00 C ATOM 144 CG LEU A 11 10.647 9.418 5.482 1.00 0.00 C ATOM 145 CD1 LEU A 11 10.771 8.179 6.380 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.923 10.667 6.326 1.00 0.00 C ATOM 0 H LEU A 11 10.146 7.452 3.999 1.00 0.00 H new ATOM 0 HA LEU A 11 10.200 9.835 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.367 8.572 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.163 10.292 4.218 1.00 0.00 H new ATOM 0 HG LEU A 11 9.638 9.461 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.068 8.259 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.547 7.285 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.786 8.113 6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.224 10.703 7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.943 10.630 6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.799 11.557 5.710 1.00 0.00 H new ATOM 158 N GLN A 12 12.622 7.935 1.587 1.00 0.00 N ATOM 159 CA GLN A 12 13.627 7.855 0.544 1.00 0.00 C ATOM 160 C GLN A 12 13.034 8.120 -0.837 1.00 0.00 C ATOM 161 O GLN A 12 13.723 8.653 -1.702 1.00 0.00 O ATOM 162 CB GLN A 12 14.246 6.459 0.533 1.00 0.00 C ATOM 163 CG GLN A 12 14.869 6.071 1.873 1.00 0.00 C ATOM 164 CD GLN A 12 15.435 4.669 1.743 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.676 3.707 1.768 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.742 4.528 1.549 1.00 0.00 N ATOM 0 H GLN A 12 12.482 7.068 2.105 1.00 0.00 H new ATOM 0 HA GLN A 12 14.378 8.616 0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.479 5.730 0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.010 6.412 -0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.655 6.775 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.121 6.107 2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.347 5.349 1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.140 3.599 1.415 1.00 0.00 H new ATOM 175 N CYS A 13 11.780 7.706 -1.050 1.00 0.00 N ATOM 176 CA CYS A 13 11.144 7.781 -2.356 1.00 0.00 C ATOM 177 C CYS A 13 10.222 8.986 -2.482 1.00 0.00 C ATOM 178 O CYS A 13 10.284 9.697 -3.482 1.00 0.00 O ATOM 179 CB CYS A 13 10.425 6.470 -2.659 1.00 0.00 C ATOM 180 SG CYS A 13 10.471 6.096 -4.420 1.00 0.00 S ATOM 0 H CYS A 13 11.185 7.312 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 13 11.922 7.926 -3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.891 5.659 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.389 6.534 -2.325 1.00 0.00 H new ATOM 185 N GLY A 14 9.375 9.223 -1.475 1.00 0.00 N ATOM 186 CA GLY A 14 8.480 10.372 -1.457 1.00 0.00 C ATOM 187 C GLY A 14 7.049 9.988 -1.089 1.00 0.00 C ATOM 188 O GLY A 14 6.569 8.918 -1.461 1.00 0.00 O ATOM 0 H GLY A 14 9.295 8.623 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.851 11.107 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.485 10.849 -2.437 1.00 0.00 H new ATOM 192 N LYS A 15 6.367 10.914 -0.404 1.00 0.00 N ATOM 193 CA LYS A 15 5.008 10.794 0.122 1.00 0.00 C ATOM 194 C LYS A 15 3.996 10.216 -0.869 1.00 0.00 C ATOM 195 O LYS A 15 3.075 9.508 -0.475 1.00 0.00 O ATOM 196 CB LYS A 15 4.525 12.168 0.598 1.00 0.00 C ATOM 197 CG LYS A 15 5.371 12.713 1.754 1.00 0.00 C ATOM 198 CD LYS A 15 4.733 13.973 2.353 1.00 0.00 C ATOM 199 CE LYS A 15 4.621 15.153 1.377 1.00 0.00 C ATOM 200 NZ LYS A 15 5.930 15.542 0.822 1.00 0.00 N ATOM 0 H LYS A 15 6.778 11.823 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 15 5.064 10.083 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.556 12.870 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.485 12.095 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.473 11.950 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.375 12.943 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.737 13.723 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.319 14.286 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.948 14.886 0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.178 16.006 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.822 16.403 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.596 15.724 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.296 14.773 0.225 1.00 0.00 H new ATOM 214 N GLY A 16 4.147 10.541 -2.155 1.00 0.00 N ATOM 215 CA GLY A 16 3.286 10.024 -3.215 1.00 0.00 C ATOM 216 C GLY A 16 3.312 8.491 -3.318 1.00 0.00 C ATOM 217 O GLY A 16 2.504 7.901 -4.037 1.00 0.00 O ATOM 0 H GLY A 16 4.874 11.173 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.262 10.353 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.597 10.452 -4.168 1.00 0.00 H new ATOM 221 N THR A 17 4.247 7.835 -2.628 1.00 0.00 N ATOM 222 CA THR A 17 4.375 6.395 -2.611 1.00 0.00 C ATOM 223 C THR A 17 4.589 5.938 -1.168 1.00 0.00 C ATOM 224 O THR A 17 5.059 6.717 -0.342 1.00 0.00 O ATOM 225 CB THR A 17 5.595 6.001 -3.471 1.00 0.00 C ATOM 226 OG1 THR A 17 6.794 6.494 -2.900 1.00 0.00 O ATOM 227 CG2 THR A 17 5.529 6.535 -4.906 1.00 0.00 C ATOM 0 H THR A 17 4.946 8.309 -2.057 1.00 0.00 H new ATOM 0 HA THR A 17 3.477 5.924 -3.011 1.00 0.00 H new ATOM 0 HB THR A 17 5.580 4.911 -3.498 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.589 7.250 -2.311 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.418 6.220 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.641 6.141 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.481 7.624 -4.887 1.00 0.00 H new ATOM 235 N CYS A 18 4.240 4.686 -0.869 1.00 0.00 N ATOM 236 CA CYS A 18 4.545 4.038 0.394 1.00 0.00 C ATOM 237 C CYS A 18 5.534 2.915 0.079 1.00 0.00 C ATOM 238 O CYS A 18 5.588 2.399 -1.044 1.00 0.00 O ATOM 239 CB CYS A 18 3.291 3.515 1.106 1.00 0.00 C ATOM 240 SG CYS A 18 2.977 1.755 0.892 1.00 0.00 S ATOM 0 H CYS A 18 3.727 4.087 -1.516 1.00 0.00 H new ATOM 0 HA CYS A 18 4.979 4.755 1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.381 3.726 2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.426 4.070 0.743 1.00 0.00 H new ATOM 245 N CYS A 19 6.321 2.538 1.079 1.00 0.00 N ATOM 246 CA CYS A 19 7.359 1.528 0.924 1.00 0.00 C ATOM 247 C CYS A 19 6.750 0.165 1.235 1.00 0.00 C ATOM 248 O CYS A 19 6.695 -0.216 2.406 1.00 0.00 O ATOM 249 CB CYS A 19 8.520 1.888 1.849 1.00 0.00 C ATOM 250 SG CYS A 19 10.093 1.148 1.414 1.00 0.00 S ATOM 0 H CYS A 19 6.257 2.924 2.021 1.00 0.00 H new ATOM 0 HA CYS A 19 7.750 1.489 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.635 2.972 1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.262 1.587 2.864 1.00 0.00 H new ATOM 255 N ALA A 20 6.224 -0.525 0.215 1.00 0.00 N ATOM 256 CA ALA A 20 5.502 -1.792 0.361 1.00 0.00 C ATOM 257 C ALA A 20 6.352 -2.984 -0.070 1.00 0.00 C ATOM 258 O ALA A 20 7.343 -2.808 -0.768 1.00 0.00 O ATOM 259 CB ALA A 20 4.208 -1.733 -0.448 1.00 0.00 C ATOM 0 H ALA A 20 6.291 -0.211 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 20 5.268 -1.933 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.669 -2.674 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.587 -0.916 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.443 -1.567 -1.499 1.00 0.00 H new ATOM 265 N VAL A 21 5.975 -4.194 0.348 1.00 0.00 N ATOM 266 CA VAL A 21 6.714 -5.421 0.054 1.00 0.00 C ATOM 267 C VAL A 21 6.758 -5.698 -1.457 1.00 0.00 C ATOM 268 O VAL A 21 5.873 -5.262 -2.192 1.00 0.00 O ATOM 269 CB VAL A 21 6.060 -6.588 0.830 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.769 -7.928 0.608 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.109 -6.309 2.335 1.00 0.00 C ATOM 0 H VAL A 21 5.137 -4.350 0.908 1.00 0.00 H new ATOM 0 HA VAL A 21 7.749 -5.311 0.377 1.00 0.00 H new ATOM 0 HB VAL A 21 5.039 -6.657 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.263 -8.706 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.745 -8.181 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.805 -7.851 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.646 -7.136 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.147 -6.205 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.569 -5.387 2.552 1.00 0.00 H new ATOM 281 N SER A 22 7.772 -6.439 -1.926 1.00 0.00 N ATOM 282 CA SER A 22 7.906 -6.879 -3.306 1.00 0.00 C ATOM 283 C SER A 22 7.271 -8.266 -3.470 1.00 0.00 C ATOM 284 O SER A 22 7.705 -9.219 -2.823 1.00 0.00 O ATOM 285 CB SER A 22 9.394 -6.934 -3.640 1.00 0.00 C ATOM 286 OG SER A 22 9.969 -5.668 -3.406 1.00 0.00 O ATOM 0 H SER A 22 8.539 -6.753 -1.332 1.00 0.00 H new ATOM 0 HA SER A 22 7.398 -6.189 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.888 -7.690 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.535 -7.224 -4.681 1.00 0.00 H new ATOM 0 HG SER A 22 10.881 -5.651 -3.765 1.00 0.00 H new ATOM 292 N LEU A 23 6.276 -8.391 -4.359 1.00 0.00 N ATOM 293 CA LEU A 23 5.509 -9.617 -4.613 1.00 0.00 C ATOM 294 C LEU A 23 6.378 -10.864 -4.811 1.00 0.00 C ATOM 295 O LEU A 23 5.933 -11.968 -4.507 1.00 0.00 O ATOM 296 CB LEU A 23 4.606 -9.445 -5.855 1.00 0.00 C ATOM 297 CG LEU A 23 3.290 -8.668 -5.674 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.317 -9.381 -4.728 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.498 -7.226 -5.216 1.00 0.00 C ATOM 0 H LEU A 23 5.972 -7.611 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 23 4.912 -9.774 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.189 -8.944 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.361 -10.438 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 23 2.846 -8.636 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.404 -8.793 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.075 -10.365 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.779 -9.493 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.531 -6.735 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.017 -7.220 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.095 -6.692 -5.955 1.00 0.00 H new ATOM 311 N TRP A 24 7.610 -10.699 -5.297 1.00 0.00 N ATOM 312 CA TRP A 24 8.472 -11.811 -5.677 1.00 0.00 C ATOM 313 C TRP A 24 9.484 -12.171 -4.590 1.00 0.00 C ATOM 314 O TRP A 24 10.077 -13.245 -4.658 1.00 0.00 O ATOM 315 CB TRP A 24 9.173 -11.448 -6.998 1.00 0.00 C ATOM 316 CG TRP A 24 8.332 -10.634 -7.940 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.680 -9.436 -8.461 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.935 -10.837 -8.313 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.590 -8.860 -9.082 1.00 0.00 N ATOM 320 CE2 TRP A 24 6.476 -9.667 -8.982 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.982 -11.853 -8.076 1.00 0.00 C ATOM 322 CZ2 TRP A 24 5.133 -9.493 -9.343 1.00 0.00 C ATOM 323 CZ3 TRP A 24 4.646 -11.714 -8.492 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.210 -10.513 -9.074 1.00 0.00 C ATOM 0 H TRP A 24 8.037 -9.783 -5.437 1.00 0.00 H new ATOM 0 HA TRP A 24 7.858 -12.702 -5.810 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.084 -10.894 -6.772 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.475 -12.367 -7.500 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.664 -8.995 -8.400 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.606 -7.956 -9.553 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.286 -12.755 -7.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.812 -8.581 -9.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.954 -12.533 -8.364 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.166 -10.375 -9.314 1.00 0.00 H new ATOM 335 N ILE A 25 9.697 -11.303 -3.594 1.00 0.00 N ATOM 336 CA ILE A 25 10.636 -11.554 -2.521 1.00 0.00 C ATOM 337 C ILE A 25 10.316 -10.656 -1.322 1.00 0.00 C ATOM 338 O ILE A 25 10.591 -9.457 -1.335 1.00 0.00 O ATOM 339 CB ILE A 25 12.084 -11.432 -3.030 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.034 -11.669 -1.852 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.394 -10.106 -3.735 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.448 -12.055 -2.292 1.00 0.00 C ATOM 0 H ILE A 25 9.216 -10.407 -3.519 1.00 0.00 H new ATOM 0 HA ILE A 25 10.535 -12.580 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 25 12.226 -12.191 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.083 -10.765 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.629 -12.458 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.434 -10.102 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.741 -9.993 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.228 -9.279 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.073 -12.209 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.409 -12.975 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.870 -11.256 -2.902 1.00 0.00 H new ATOM 354 N LYS A 26 9.774 -11.260 -0.261 1.00 0.00 N ATOM 355 CA LYS A 26 9.388 -10.607 0.975 1.00 0.00 C ATOM 356 C LYS A 26 10.505 -9.749 1.582 1.00 0.00 C ATOM 357 O LYS A 26 10.235 -8.820 2.339 1.00 0.00 O ATOM 358 CB LYS A 26 8.947 -11.698 1.954 1.00 0.00 C ATOM 359 CG LYS A 26 7.651 -12.388 1.503 1.00 0.00 C ATOM 360 CD LYS A 26 7.067 -13.292 2.600 1.00 0.00 C ATOM 361 CE LYS A 26 8.008 -14.419 3.048 1.00 0.00 C ATOM 362 NZ LYS A 26 8.414 -15.282 1.925 1.00 0.00 N ATOM 0 H LYS A 26 9.587 -12.263 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 26 8.575 -9.912 0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.739 -12.441 2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.800 -11.261 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.916 -11.632 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.848 -12.982 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.814 -12.679 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.138 -13.731 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.895 -13.987 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.513 -15.023 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.993 -16.068 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.567 -15.662 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.968 -14.726 1.243 1.00 0.00 H new ATOM 376 N SER A 27 11.763 -10.076 1.288 1.00 0.00 N ATOM 377 CA SER A 27 12.914 -9.350 1.789 1.00 0.00 C ATOM 378 C SER A 27 12.995 -7.929 1.221 1.00 0.00 C ATOM 379 O SER A 27 13.421 -7.020 1.930 1.00 0.00 O ATOM 380 CB SER A 27 14.178 -10.142 1.438 1.00 0.00 C ATOM 381 OG SER A 27 13.912 -11.531 1.527 1.00 0.00 O ATOM 0 H SER A 27 12.007 -10.863 0.687 1.00 0.00 H new ATOM 0 HA SER A 27 12.818 -9.247 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.509 -9.889 0.431 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.987 -9.873 2.117 1.00 0.00 H new ATOM 0 HG SER A 27 14.722 -12.034 1.300 1.00 0.00 H new ATOM 387 N VAL A 28 12.598 -7.729 -0.043 1.00 0.00 N ATOM 388 CA VAL A 28 12.735 -6.440 -0.714 1.00 0.00 C ATOM 389 C VAL A 28 11.402 -5.701 -0.674 1.00 0.00 C ATOM 390 O VAL A 28 10.330 -6.306 -0.735 1.00 0.00 O ATOM 391 CB VAL A 28 13.236 -6.632 -2.158 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.542 -5.289 -2.838 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.513 -7.486 -2.192 1.00 0.00 C ATOM 0 H VAL A 28 12.176 -8.455 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 28 13.478 -5.836 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 28 12.433 -7.136 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.893 -5.467 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.637 -4.682 -2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.314 -4.764 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.844 -7.605 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.295 -6.994 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.307 -8.466 -1.762 1.00 0.00 H new ATOM 403 N ARG A 29 11.468 -4.372 -0.589 1.00 0.00 N ATOM 404 CA ARG A 29 10.319 -3.484 -0.529 1.00 0.00 C ATOM 405 C ARG A 29 10.553 -2.424 -1.607 1.00 0.00 C ATOM 406 O ARG A 29 11.706 -2.158 -1.951 1.00 0.00 O ATOM 407 CB ARG A 29 10.140 -2.943 0.904 1.00 0.00 C ATOM 408 CG ARG A 29 10.563 -4.010 1.919 1.00 0.00 C ATOM 409 CD ARG A 29 10.200 -3.656 3.362 1.00 0.00 C ATOM 410 NE ARG A 29 9.331 -4.678 3.955 1.00 0.00 N ATOM 411 CZ ARG A 29 9.643 -5.978 4.095 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.809 -6.465 3.660 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.756 -6.806 4.649 1.00 0.00 N ATOM 0 H ARG A 29 12.357 -3.872 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 29 9.371 -3.980 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.738 -2.042 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.100 -2.663 1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.092 -4.957 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.640 -4.159 1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.109 -3.559 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.698 -2.689 3.387 1.00 0.00 H new ATOM 0 HE ARG A 29 8.415 -4.378 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.484 -5.846 3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.024 -7.455 3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.852 -6.451 4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.981 -7.795 4.760 1.00 0.00 H new ATOM 427 N VAL A 30 9.489 -1.877 -2.195 1.00 0.00 N ATOM 428 CA VAL A 30 9.557 -0.991 -3.347 1.00 0.00 C ATOM 429 C VAL A 30 8.573 0.180 -3.231 1.00 0.00 C ATOM 430 O VAL A 30 7.543 0.092 -2.550 1.00 0.00 O ATOM 431 CB VAL A 30 9.295 -1.806 -4.631 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.478 -2.702 -5.012 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.033 -2.676 -4.522 1.00 0.00 C ATOM 0 H VAL A 30 8.536 -2.044 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 30 10.556 -0.556 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 30 9.151 -1.061 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.239 -3.252 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.361 -2.086 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.676 -3.406 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.892 -3.230 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.144 -3.377 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.166 -2.039 -4.344 1.00 0.00 H new ATOM 443 N CYS A 31 8.912 1.275 -3.923 1.00 0.00 N ATOM 444 CA CYS A 31 8.151 2.516 -4.007 1.00 0.00 C ATOM 445 C CYS A 31 6.809 2.233 -4.672 1.00 0.00 C ATOM 446 O CYS A 31 6.676 2.349 -5.889 1.00 0.00 O ATOM 447 CB CYS A 31 8.885 3.558 -4.863 1.00 0.00 C ATOM 448 SG CYS A 31 10.565 4.024 -4.414 1.00 0.00 S ATOM 0 H CYS A 31 9.774 1.315 -4.468 1.00 0.00 H new ATOM 0 HA CYS A 31 8.022 2.903 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.909 3.186 -5.887 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.281 4.465 -4.868 1.00 0.00 H new ATOM 453 N THR A 32 5.798 1.888 -3.887 1.00 0.00 N ATOM 454 CA THR A 32 4.496 1.533 -4.422 1.00 0.00 C ATOM 455 C THR A 32 3.602 2.769 -4.287 1.00 0.00 C ATOM 456 O THR A 32 3.620 3.404 -3.236 1.00 0.00 O ATOM 457 CB THR A 32 4.022 0.298 -3.653 1.00 0.00 C ATOM 458 OG1 THR A 32 5.020 -0.698 -3.767 1.00 0.00 O ATOM 459 CG2 THR A 32 2.698 -0.257 -4.178 1.00 0.00 C ATOM 0 H THR A 32 5.858 1.847 -2.870 1.00 0.00 H new ATOM 0 HA THR A 32 4.492 1.264 -5.478 1.00 0.00 H new ATOM 0 HB THR A 32 3.855 0.589 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.790 -0.454 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.413 -1.132 -3.594 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.924 0.505 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.812 -0.541 -5.224 1.00 0.00 H new ATOM 467 N PRO A 33 2.870 3.190 -5.330 1.00 0.00 N ATOM 468 CA PRO A 33 2.061 4.398 -5.264 1.00 0.00 C ATOM 469 C PRO A 33 0.949 4.270 -4.226 1.00 0.00 C ATOM 470 O PRO A 33 0.484 3.162 -3.952 1.00 0.00 O ATOM 471 CB PRO A 33 1.504 4.595 -6.677 1.00 0.00 C ATOM 472 CG PRO A 33 1.483 3.178 -7.250 1.00 0.00 C ATOM 473 CD PRO A 33 2.716 2.534 -6.617 1.00 0.00 C ATOM 0 HA PRO A 33 2.649 5.259 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.507 5.036 -6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.135 5.258 -7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.569 2.648 -6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.543 3.182 -8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.581 1.459 -6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.599 2.677 -7.240 1.00 0.00 H new ATOM 481 N VAL A 34 0.530 5.395 -3.632 1.00 0.00 N ATOM 482 CA VAL A 34 -0.616 5.370 -2.724 1.00 0.00 C ATOM 483 C VAL A 34 -1.827 4.790 -3.467 1.00 0.00 C ATOM 484 O VAL A 34 -1.998 5.001 -4.669 1.00 0.00 O ATOM 485 CB VAL A 34 -0.944 6.754 -2.139 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.097 7.083 -0.907 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.792 7.870 -3.171 1.00 0.00 C ATOM 0 H VAL A 34 0.958 6.312 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.359 4.738 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.990 6.699 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.367 8.070 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.278 6.339 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.959 7.074 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.035 8.827 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.235 7.892 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.468 7.688 -4.006 1.00 0.00 H new ATOM 497 N GLY A 35 -2.673 4.055 -2.749 1.00 0.00 N ATOM 498 CA GLY A 35 -3.814 3.377 -3.333 1.00 0.00 C ATOM 499 C GLY A 35 -4.845 4.367 -3.876 1.00 0.00 C ATOM 500 O GLY A 35 -5.464 5.103 -3.110 1.00 0.00 O ATOM 0 H GLY A 35 -2.581 3.916 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.476 2.725 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.282 2.740 -2.582 1.00 0.00 H new ATOM 504 N THR A 36 -5.036 4.388 -5.196 1.00 0.00 N ATOM 505 CA THR A 36 -6.027 5.237 -5.844 1.00 0.00 C ATOM 506 C THR A 36 -7.274 4.401 -6.148 1.00 0.00 C ATOM 507 O THR A 36 -7.342 3.227 -5.786 1.00 0.00 O ATOM 508 CB THR A 36 -5.422 5.928 -7.077 1.00 0.00 C ATOM 509 OG1 THR A 36 -6.348 6.867 -7.585 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.022 4.955 -8.193 1.00 0.00 C ATOM 0 H THR A 36 -4.502 3.811 -5.846 1.00 0.00 H new ATOM 0 HA THR A 36 -6.336 6.046 -5.182 1.00 0.00 H new ATOM 0 HB THR A 36 -4.505 6.416 -6.745 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.966 7.311 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.603 5.514 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.277 4.254 -7.815 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.901 4.404 -8.528 1.00 0.00 H new ATOM 518 N SER A 37 -8.262 5.009 -6.804 1.00 0.00 N ATOM 519 CA SER A 37 -9.545 4.415 -7.144 1.00 0.00 C ATOM 520 C SER A 37 -9.436 2.959 -7.612 1.00 0.00 C ATOM 521 O SER A 37 -8.907 2.697 -8.690 1.00 0.00 O ATOM 522 CB SER A 37 -10.180 5.274 -8.241 1.00 0.00 C ATOM 523 OG SER A 37 -10.138 6.638 -7.865 1.00 0.00 O ATOM 0 H SER A 37 -8.181 5.974 -7.126 1.00 0.00 H new ATOM 0 HA SER A 37 -10.160 4.392 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.649 5.130 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.212 4.964 -8.407 1.00 0.00 H new ATOM 0 HG SER A 37 -10.544 7.184 -8.570 1.00 0.00 H new ATOM 529 N GLY A 38 -9.944 2.016 -6.813 1.00 0.00 N ATOM 530 CA GLY A 38 -9.984 0.605 -7.172 1.00 0.00 C ATOM 531 C GLY A 38 -8.715 -0.181 -6.836 1.00 0.00 C ATOM 532 O GLY A 38 -8.717 -1.404 -6.977 1.00 0.00 O ATOM 0 H GLY A 38 -10.340 2.217 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.828 0.139 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.172 0.523 -8.242 1.00 0.00 H new ATOM 536 N GLU A 39 -7.632 0.466 -6.395 1.00 0.00 N ATOM 537 CA GLU A 39 -6.430 -0.268 -6.022 1.00 0.00 C ATOM 538 C GLU A 39 -6.713 -1.087 -4.762 1.00 0.00 C ATOM 539 O GLU A 39 -7.428 -0.623 -3.873 1.00 0.00 O ATOM 540 CB GLU A 39 -5.253 0.688 -5.791 1.00 0.00 C ATOM 541 CG GLU A 39 -4.822 1.413 -7.075 1.00 0.00 C ATOM 542 CD GLU A 39 -4.383 0.460 -8.184 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.698 -0.531 -7.847 1.00 0.00 O ATOM 544 OE2 GLU A 39 -4.733 0.744 -9.349 1.00 0.00 O ATOM 0 H GLU A 39 -7.567 1.479 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.155 -0.938 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.530 1.425 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.407 0.128 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.650 2.023 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.002 2.093 -6.843 1.00 0.00 H new ATOM 551 N ASP A 40 -6.164 -2.304 -4.692 1.00 0.00 N ATOM 552 CA ASP A 40 -6.334 -3.171 -3.533 1.00 0.00 C ATOM 553 C ASP A 40 -5.643 -2.542 -2.325 1.00 0.00 C ATOM 554 O ASP A 40 -4.581 -1.937 -2.474 1.00 0.00 O ATOM 555 CB ASP A 40 -5.780 -4.571 -3.815 1.00 0.00 C ATOM 556 CG ASP A 40 -6.292 -5.573 -2.783 1.00 0.00 C ATOM 557 OD1 ASP A 40 -5.659 -5.662 -1.710 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.310 -6.230 -3.092 1.00 0.00 O ATOM 0 H ASP A 40 -5.594 -2.709 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.397 -3.277 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.074 -4.889 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.690 -4.547 -3.796 1.00 0.00 H new ATOM 563 N CYS A 41 -6.237 -2.676 -1.139 1.00 0.00 N ATOM 564 CA CYS A 41 -5.697 -2.108 0.087 1.00 0.00 C ATOM 565 C CYS A 41 -5.839 -3.092 1.231 1.00 0.00 C ATOM 566 O CYS A 41 -6.766 -3.898 1.263 1.00 0.00 O ATOM 567 CB CYS A 41 -6.402 -0.796 0.426 1.00 0.00 C ATOM 568 SG CYS A 41 -8.174 -0.951 0.723 1.00 0.00 S ATOM 0 H CYS A 41 -7.111 -3.185 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.638 -1.901 -0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.935 -0.366 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.244 -0.092 -0.391 1.00 0.00 H new ATOM 573 N HIS A 42 -4.898 -3.020 2.171 1.00 0.00 N ATOM 574 CA HIS A 42 -4.914 -3.806 3.389 1.00 0.00 C ATOM 575 C HIS A 42 -5.356 -2.841 4.487 1.00 0.00 C ATOM 576 O HIS A 42 -4.784 -1.752 4.571 1.00 0.00 O ATOM 577 CB HIS A 42 -3.510 -4.362 3.649 1.00 0.00 C ATOM 578 CG HIS A 42 -3.461 -5.365 4.764 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.890 -5.061 6.054 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.048 -6.668 4.728 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.716 -6.195 6.741 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.219 -7.190 5.991 1.00 0.00 N ATOM 0 H HIS A 42 -4.091 -2.400 2.100 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.587 -4.662 3.338 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.137 -4.827 2.736 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.838 -3.536 3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.659 -7.192 3.867 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.951 -6.299 7.790 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.010 -8.141 6.295 1.00 0.00 H new ATOM 590 N PRO A 43 -6.348 -3.171 5.325 1.00 0.00 N ATOM 591 CA PRO A 43 -6.802 -2.261 6.366 1.00 0.00 C ATOM 592 C PRO A 43 -5.663 -1.838 7.305 1.00 0.00 C ATOM 593 O PRO A 43 -5.744 -0.769 7.902 1.00 0.00 O ATOM 594 CB PRO A 43 -7.926 -2.999 7.100 1.00 0.00 C ATOM 595 CG PRO A 43 -7.636 -4.473 6.815 1.00 0.00 C ATOM 596 CD PRO A 43 -7.063 -4.434 5.400 1.00 0.00 C ATOM 0 HA PRO A 43 -7.163 -1.323 5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.913 -2.787 8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.908 -2.705 6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.926 -4.891 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.539 -5.081 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.397 -5.277 5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.853 -4.486 4.651 1.00 0.00 H new ATOM 604 N ALA A 44 -4.598 -2.643 7.422 1.00 0.00 N ATOM 605 CA ALA A 44 -3.447 -2.337 8.259 1.00 0.00 C ATOM 606 C ALA A 44 -2.275 -1.767 7.449 1.00 0.00 C ATOM 607 O ALA A 44 -1.144 -1.813 7.930 1.00 0.00 O ATOM 608 CB ALA A 44 -3.024 -3.601 9.014 1.00 0.00 C ATOM 0 H ALA A 44 -4.518 -3.533 6.930 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.737 -1.563 8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.162 -3.378 9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.849 -3.945 9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.760 -4.380 8.299 1.00 0.00 H new ATOM 614 N SER A 45 -2.509 -1.240 6.237 1.00 0.00 N ATOM 615 CA SER A 45 -1.464 -0.617 5.439 1.00 0.00 C ATOM 616 C SER A 45 -0.786 0.481 6.255 1.00 0.00 C ATOM 617 O SER A 45 -1.402 1.516 6.508 1.00 0.00 O ATOM 618 CB SER A 45 -2.079 0.025 4.193 1.00 0.00 C ATOM 619 OG SER A 45 -2.526 -0.954 3.279 1.00 0.00 O ATOM 0 H SER A 45 -3.427 -1.238 5.792 1.00 0.00 H new ATOM 0 HA SER A 45 -0.739 -1.379 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.914 0.662 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.342 0.667 3.710 1.00 0.00 H new ATOM 0 HG SER A 45 -3.412 -1.274 3.549 1.00 0.00 H new ATOM 625 N HIS A 46 0.473 0.286 6.651 1.00 0.00 N ATOM 626 CA HIS A 46 1.179 1.272 7.452 1.00 0.00 C ATOM 627 C HIS A 46 1.226 2.617 6.727 1.00 0.00 C ATOM 628 O HIS A 46 1.677 2.698 5.577 1.00 0.00 O ATOM 629 CB HIS A 46 2.583 0.787 7.802 1.00 0.00 C ATOM 630 CG HIS A 46 2.591 -0.609 8.358 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.587 -1.724 7.518 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.495 -1.026 9.657 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.504 -2.768 8.347 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.453 -2.404 9.639 1.00 0.00 N ATOM 0 H HIS A 46 1.019 -0.546 6.428 1.00 0.00 H new ATOM 0 HA HIS A 46 0.634 1.409 8.386 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.208 0.822 6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.027 1.466 8.530 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.459 -0.395 10.532 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.480 -3.795 8.014 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.395 -3.024 10.447 1.00 0.00 H new ATOM 642 N LYS A 47 0.752 3.653 7.428 1.00 0.00 N ATOM 643 CA LYS A 47 0.630 5.029 6.967 1.00 0.00 C ATOM 644 C LYS A 47 1.937 5.593 6.409 1.00 0.00 C ATOM 645 O LYS A 47 2.963 4.921 6.393 1.00 0.00 O ATOM 646 CB LYS A 47 0.063 5.887 8.114 1.00 0.00 C ATOM 647 CG LYS A 47 0.917 5.950 9.395 1.00 0.00 C ATOM 648 CD LYS A 47 2.153 6.856 9.271 1.00 0.00 C ATOM 649 CE LYS A 47 2.780 7.117 10.644 1.00 0.00 C ATOM 650 NZ LYS A 47 3.926 8.036 10.540 1.00 0.00 N ATOM 0 H LYS A 47 0.426 3.540 8.388 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.061 5.052 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.079 6.903 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.922 5.502 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.297 6.307 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.241 4.942 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.887 6.389 8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.870 7.802 8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.031 7.539 11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.105 6.174 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.413 8.089 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.587 7.687 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.589 8.983 10.272 1.00 0.00 H new ATOM 664 N ILE A 48 1.907 6.846 5.963 1.00 0.00 N ATOM 665 CA ILE A 48 3.066 7.555 5.442 1.00 0.00 C ATOM 666 C ILE A 48 3.283 8.775 6.345 1.00 0.00 C ATOM 667 O ILE A 48 2.295 9.429 6.678 1.00 0.00 O ATOM 668 CB ILE A 48 2.786 7.966 3.984 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.472 6.725 3.127 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.972 8.731 3.384 1.00 0.00 C ATOM 671 CD1 ILE A 48 2.136 7.078 1.678 1.00 0.00 C ATOM 0 H ILE A 48 1.055 7.407 5.955 1.00 0.00 H new ATOM 0 HA ILE A 48 3.964 6.937 5.441 1.00 0.00 H new ATOM 0 HB ILE A 48 1.920 8.627 3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.329 6.051 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.634 6.186 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.744 9.007 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.157 9.632 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.859 8.098 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.924 6.165 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.262 7.729 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.983 7.592 1.223 1.00 0.00 H new ATOM 683 N PRO A 49 4.518 9.124 6.750 1.00 0.00 N ATOM 684 CA PRO A 49 5.770 8.413 6.525 1.00 0.00 C ATOM 685 C PRO A 49 5.996 7.359 7.620 1.00 0.00 C ATOM 686 O PRO A 49 6.179 7.707 8.786 1.00 0.00 O ATOM 687 CB PRO A 49 6.841 9.506 6.586 1.00 0.00 C ATOM 688 CG PRO A 49 6.279 10.514 7.591 1.00 0.00 C ATOM 689 CD PRO A 49 4.765 10.404 7.397 1.00 0.00 C ATOM 0 HA PRO A 49 5.783 7.874 5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.801 9.107 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.002 9.963 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.572 10.269 8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.637 11.524 7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.247 10.460 8.354 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.393 11.225 6.785 1.00 0.00 H new ATOM 697 N PHE A 50 5.998 6.072 7.270 1.00 0.00 N ATOM 698 CA PHE A 50 6.249 4.986 8.212 1.00 0.00 C ATOM 699 C PHE A 50 7.699 4.542 8.067 1.00 0.00 C ATOM 700 O PHE A 50 8.052 3.834 7.123 1.00 0.00 O ATOM 701 CB PHE A 50 5.297 3.817 7.956 1.00 0.00 C ATOM 702 CG PHE A 50 5.565 2.549 8.746 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.299 2.512 10.128 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.920 1.364 8.073 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.369 1.294 10.826 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.939 0.139 8.762 1.00 0.00 C ATOM 707 CZ PHE A 50 5.673 0.105 10.141 1.00 0.00 C ATOM 0 H PHE A 50 5.824 5.754 6.317 1.00 0.00 H new ATOM 0 HA PHE A 50 6.073 5.335 9.229 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.282 4.148 8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.332 3.573 6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.041 3.420 10.652 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.178 1.397 7.025 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.189 1.272 11.891 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.158 -0.776 8.231 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.702 -0.834 10.674 1.00 0.00 H new ATOM 717 N SER A 51 8.545 4.951 9.014 1.00 0.00 N ATOM 718 CA SER A 51 9.937 4.529 9.058 1.00 0.00 C ATOM 719 C SER A 51 9.996 3.101 9.608 1.00 0.00 C ATOM 720 O SER A 51 10.558 2.873 10.676 1.00 0.00 O ATOM 721 CB SER A 51 10.741 5.504 9.923 1.00 0.00 C ATOM 722 OG SER A 51 10.653 6.808 9.383 1.00 0.00 O ATOM 0 H SER A 51 8.280 5.583 9.769 1.00 0.00 H new ATOM 0 HA SER A 51 10.376 4.536 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.361 5.497 10.944 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.784 5.189 9.969 1.00 0.00 H new ATOM 0 HG SER A 51 11.167 7.428 9.941 1.00 0.00 H new ATOM 728 N GLY A 52 9.395 2.151 8.890 1.00 0.00 N ATOM 729 CA GLY A 52 9.336 0.756 9.279 1.00 0.00 C ATOM 730 C GLY A 52 9.126 -0.109 8.043 1.00 0.00 C ATOM 731 O GLY A 52 8.764 0.389 6.976 1.00 0.00 O ATOM 0 H GLY A 52 8.928 2.342 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.258 0.469 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.523 0.599 9.988 1.00 0.00 H new ATOM 735 N GLN A 53 9.348 -1.415 8.193 1.00 0.00 N ATOM 736 CA GLN A 53 9.278 -2.369 7.101 1.00 0.00 C ATOM 737 C GLN A 53 7.865 -2.954 7.036 1.00 0.00 C ATOM 738 O GLN A 53 7.482 -3.747 7.893 1.00 0.00 O ATOM 739 CB GLN A 53 10.366 -3.442 7.290 1.00 0.00 C ATOM 740 CG GLN A 53 11.729 -2.873 7.734 1.00 0.00 C ATOM 741 CD GLN A 53 12.102 -1.565 7.037 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.217 -0.526 7.679 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.259 -1.597 5.720 1.00 0.00 N ATOM 0 H GLN A 53 9.584 -1.839 9.090 1.00 0.00 H new ATOM 0 HA GLN A 53 9.471 -1.884 6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.026 -4.165 8.031 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.496 -3.983 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.711 -2.709 8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.504 -3.614 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.157 -2.478 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.482 -0.741 5.212 1.00 0.00 H new ATOM 752 N ARG A 54 7.065 -2.524 6.055 1.00 0.00 N ATOM 753 CA ARG A 54 5.706 -3.029 5.895 1.00 0.00 C ATOM 754 C ARG A 54 5.727 -4.525 5.613 1.00 0.00 C ATOM 755 O ARG A 54 6.686 -5.030 5.036 1.00 0.00 O ATOM 756 CB ARG A 54 4.989 -2.337 4.733 1.00 0.00 C ATOM 757 CG ARG A 54 4.849 -0.841 4.986 1.00 0.00 C ATOM 758 CD ARG A 54 3.945 -0.215 3.913 1.00 0.00 C ATOM 759 NE ARG A 54 3.750 1.229 4.098 1.00 0.00 N ATOM 760 CZ ARG A 54 4.672 2.170 4.288 1.00 0.00 C ATOM 761 NH1 ARG A 54 5.958 1.907 4.083 1.00 0.00 N ATOM 762 NH2 ARG A 54 4.259 3.383 4.641 1.00 0.00 N ATOM 0 H ARG A 54 7.339 -1.827 5.362 1.00 0.00 H new ATOM 0 HA ARG A 54 5.175 -2.824 6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.544 -2.502 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.002 -2.779 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.427 -0.668 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.830 -0.367 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.380 -0.394 2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.975 -0.712 3.928 1.00 0.00 H new ATOM 0 HE ARG A 54 2.783 1.553 4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.246 0.977 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.657 2.635 4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.263 3.569 4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.938 4.128 4.795 1.00 0.00 H new ATOM 776 N MET A 55 4.642 -5.214 5.969 1.00 0.00 N ATOM 777 CA MET A 55 4.469 -6.639 5.725 1.00 0.00 C ATOM 778 C MET A 55 3.327 -6.854 4.725 1.00 0.00 C ATOM 779 O MET A 55 2.706 -7.913 4.714 1.00 0.00 O ATOM 780 CB MET A 55 4.216 -7.350 7.062 1.00 0.00 C ATOM 781 CG MET A 55 5.355 -7.121 8.069 1.00 0.00 C ATOM 782 SD MET A 55 7.034 -7.555 7.531 1.00 0.00 S ATOM 783 CE MET A 55 6.834 -9.323 7.223 1.00 0.00 C ATOM 0 H MET A 55 3.847 -4.786 6.443 1.00 0.00 H new ATOM 0 HA MET A 55 5.370 -7.067 5.285 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.279 -6.993 7.489 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.099 -8.419 6.886 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.351 -6.068 8.350 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.130 -7.692 8.970 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.800 -9.760 6.970 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.441 -9.806 8.118 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.140 -9.472 6.395 1.00 0.00 H new ATOM 793 N HIS A 56 3.050 -5.847 3.886 1.00 0.00 N ATOM 794 CA HIS A 56 1.993 -5.865 2.886 1.00 0.00 C ATOM 795 C HIS A 56 2.537 -5.247 1.599 1.00 0.00 C ATOM 796 O HIS A 56 3.408 -4.377 1.648 1.00 0.00 O ATOM 797 CB HIS A 56 0.769 -5.066 3.370 1.00 0.00 C ATOM 798 CG HIS A 56 0.370 -5.305 4.802 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.082 -6.474 5.453 1.00 0.00 N flip ATOM 800 CD2 HIS A 56 0.287 -4.251 5.710 1.00 0.00 C flip ATOM 801 CE1 HIS A 56 -0.175 -6.155 6.770 1.00 0.00 C flip ATOM 802 NE2 HIS A 56 -0.056 -4.821 6.867 1.00 0.00 N flip ATOM 0 H HIS A 56 3.576 -4.973 3.891 1.00 0.00 H new ATOM 0 HA HIS A 56 1.677 -6.893 2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.975 -4.004 3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.079 -5.307 2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.462 -3.202 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.423 -6.842 7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.211 -4.300 7.730 1.00 0.00 H new ATOM 810 N HIS A 57 2.031 -5.703 0.451 1.00 0.00 N ATOM 811 CA HIS A 57 2.397 -5.192 -0.868 1.00 0.00 C ATOM 812 C HIS A 57 1.535 -3.994 -1.257 1.00 0.00 C ATOM 813 O HIS A 57 1.845 -3.284 -2.209 1.00 0.00 O ATOM 814 CB HIS A 57 2.182 -6.283 -1.913 1.00 0.00 C ATOM 815 CG HIS A 57 2.862 -7.565 -1.548 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.189 -8.547 -0.833 1.00 0.00 N ATOM 817 CD2 HIS A 57 4.151 -7.969 -1.755 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.097 -9.509 -0.676 1.00 0.00 C ATOM 819 NE2 HIS A 57 4.289 -9.220 -1.209 1.00 0.00 N ATOM 0 H HIS A 57 1.341 -6.453 0.414 1.00 0.00 H new ATOM 0 HA HIS A 57 3.442 -4.886 -0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.114 -6.463 -2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.556 -5.938 -2.877 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.922 -7.405 -2.258 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.889 -10.438 -0.165 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.124 -9.806 -1.209 1.00 0.00 H new ATOM 827 N THR A 58 0.440 -3.778 -0.531 1.00 0.00 N ATOM 828 CA THR A 58 -0.538 -2.756 -0.821 1.00 0.00 C ATOM 829 C THR A 58 -0.274 -1.550 0.070 1.00 0.00 C ATOM 830 O THR A 58 0.063 -1.726 1.241 1.00 0.00 O ATOM 831 CB THR A 58 -1.907 -3.350 -0.497 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.937 -3.726 0.869 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.204 -4.610 -1.322 1.00 0.00 C ATOM 0 H THR A 58 0.211 -4.329 0.296 1.00 0.00 H new ATOM 0 HA THR A 58 -0.490 -2.438 -1.863 1.00 0.00 H new ATOM 0 HB THR A 58 -2.651 -2.589 -0.731 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.790 -4.692 0.946 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.188 -4.995 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.186 -4.363 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.449 -5.368 -1.113 1.00 0.00 H new ATOM 841 N CYS A 59 -0.466 -0.340 -0.452 1.00 0.00 N ATOM 842 CA CYS A 59 -0.230 0.883 0.261 1.00 0.00 C ATOM 843 C CYS A 59 -1.530 1.464 0.800 1.00 0.00 C ATOM 844 O CYS A 59 -2.613 1.088 0.351 1.00 0.00 O ATOM 845 CB CYS A 59 0.392 1.878 -0.717 1.00 0.00 C ATOM 846 SG CYS A 59 2.154 1.692 -1.010 1.00 0.00 S ATOM 0 H CYS A 59 -0.798 -0.195 -1.406 1.00 0.00 H new ATOM 0 HA CYS A 59 0.430 0.688 1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.127 1.792 -1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.210 2.886 -0.345 1.00 0.00 H new ATOM 851 N PRO A 60 -1.416 2.400 1.754 1.00 0.00 N ATOM 852 CA PRO A 60 -2.539 3.170 2.250 1.00 0.00 C ATOM 853 C PRO A 60 -3.205 3.883 1.076 1.00 0.00 C ATOM 854 O PRO A 60 -2.551 4.189 0.074 1.00 0.00 O ATOM 855 CB PRO A 60 -1.953 4.205 3.220 1.00 0.00 C ATOM 856 CG PRO A 60 -0.595 3.623 3.595 1.00 0.00 C ATOM 857 CD PRO A 60 -0.175 2.867 2.341 1.00 0.00 C ATOM 0 HA PRO A 60 -3.281 2.542 2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.853 5.183 2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.588 4.337 4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.120 4.405 3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.666 2.961 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.369 3.514 1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.485 2.034 2.584 1.00 0.00 H new ATOM 865 N CYS A 61 -4.500 4.159 1.198 1.00 0.00 N ATOM 866 CA CYS A 61 -5.214 4.859 0.148 1.00 0.00 C ATOM 867 C CYS A 61 -4.752 6.309 0.092 1.00 0.00 C ATOM 868 O CYS A 61 -4.347 6.877 1.107 1.00 0.00 O ATOM 869 CB CYS A 61 -6.724 4.781 0.376 1.00 0.00 C ATOM 870 SG CYS A 61 -7.389 3.105 0.379 1.00 0.00 S ATOM 0 H CYS A 61 -5.068 3.909 2.008 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.995 4.381 -0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.961 5.255 1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.227 5.357 -0.400 1.00 0.00 H new ATOM 875 N ALA A 62 -4.794 6.911 -1.098 1.00 0.00 N ATOM 876 CA ALA A 62 -4.462 8.315 -1.254 1.00 0.00 C ATOM 877 C ALA A 62 -5.432 9.119 -0.376 1.00 0.00 C ATOM 878 O ALA A 62 -6.587 8.712 -0.256 1.00 0.00 O ATOM 879 CB ALA A 62 -4.569 8.710 -2.729 1.00 0.00 C ATOM 0 H ALA A 62 -5.056 6.441 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.438 8.520 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.319 9.765 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.877 8.108 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.587 8.539 -3.079 1.00 0.00 H new ATOM 885 N PRO A 63 -5.009 10.247 0.218 1.00 0.00 N ATOM 886 CA PRO A 63 -5.821 11.062 1.119 1.00 0.00 C ATOM 887 C PRO A 63 -7.291 11.281 0.729 1.00 0.00 C ATOM 888 O PRO A 63 -8.138 11.414 1.608 1.00 0.00 O ATOM 889 CB PRO A 63 -5.066 12.385 1.252 1.00 0.00 C ATOM 890 CG PRO A 63 -3.608 11.942 1.138 1.00 0.00 C ATOM 891 CD PRO A 63 -3.664 10.802 0.119 1.00 0.00 C ATOM 0 HA PRO A 63 -5.932 10.522 2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.339 13.090 0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.269 12.875 2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.966 12.755 0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.214 11.605 2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.465 11.168 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.911 10.045 0.338 1.00 0.00 H new ATOM 899 N ASN A 64 -7.613 11.329 -0.569 1.00 0.00 N ATOM 900 CA ASN A 64 -8.979 11.567 -1.035 1.00 0.00 C ATOM 901 C ASN A 64 -9.852 10.304 -1.024 1.00 0.00 C ATOM 902 O ASN A 64 -11.012 10.383 -1.424 1.00 0.00 O ATOM 903 CB ASN A 64 -8.953 12.144 -2.459 1.00 0.00 C ATOM 904 CG ASN A 64 -8.160 13.437 -2.586 1.00 0.00 C ATOM 905 OD1 ASN A 64 -8.110 14.255 -1.675 1.00 0.00 O ATOM 906 ND2 ASN A 64 -7.511 13.621 -3.732 1.00 0.00 N ATOM 0 H ASN A 64 -6.935 11.204 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.423 12.276 -0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.528 11.401 -3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.977 12.324 -2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.951 14.462 -3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.573 12.921 -4.471 1.00 0.00 H new ATOM 913 N LEU A 65 -9.316 9.141 -0.632 1.00 0.00 N ATOM 914 CA LEU A 65 -10.021 7.863 -0.644 1.00 0.00 C ATOM 915 C LEU A 65 -9.808 7.120 0.677 1.00 0.00 C ATOM 916 O LEU A 65 -8.955 7.500 1.478 1.00 0.00 O ATOM 917 CB LEU A 65 -9.532 7.015 -1.830 1.00 0.00 C ATOM 918 CG LEU A 65 -9.733 7.714 -3.186 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.426 8.352 -3.673 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.204 6.714 -4.240 1.00 0.00 C ATOM 0 H LEU A 65 -8.358 9.066 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.089 8.046 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.474 6.788 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.064 6.064 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.487 8.489 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.595 8.840 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.088 9.090 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.665 7.580 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.341 7.226 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.458 5.928 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.150 6.273 -3.926 1.00 0.00 H new ATOM 932 N ALA A 66 -10.564 6.038 0.883 1.00 0.00 N ATOM 933 CA ALA A 66 -10.543 5.211 2.078 1.00 0.00 C ATOM 934 C ALA A 66 -10.559 3.739 1.672 1.00 0.00 C ATOM 935 O ALA A 66 -11.057 3.388 0.601 1.00 0.00 O ATOM 936 CB ALA A 66 -11.756 5.549 2.949 1.00 0.00 C ATOM 0 H ALA A 66 -11.233 5.706 0.188 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.638 5.404 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.743 4.930 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.718 6.601 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.671 5.357 2.389 1.00 0.00 H new ATOM 942 N CYS A 67 -10.000 2.879 2.529 1.00 0.00 N ATOM 943 CA CYS A 67 -9.907 1.444 2.295 1.00 0.00 C ATOM 944 C CYS A 67 -11.212 0.772 2.725 1.00 0.00 C ATOM 945 O CYS A 67 -11.493 0.735 3.922 1.00 0.00 O ATOM 946 CB CYS A 67 -8.716 0.881 3.087 1.00 0.00 C ATOM 947 SG CYS A 67 -8.416 -0.870 2.787 1.00 0.00 S ATOM 0 H CYS A 67 -9.594 3.171 3.418 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.749 1.245 1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.819 1.444 2.829 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.893 1.034 4.152 1.00 0.00 H new ATOM 952 N VAL A 68 -12.016 0.259 1.784 1.00 0.00 N ATOM 953 CA VAL A 68 -13.313 -0.356 2.080 1.00 0.00 C ATOM 954 C VAL A 68 -13.368 -1.777 1.519 1.00 0.00 C ATOM 955 O VAL A 68 -12.764 -2.060 0.488 1.00 0.00 O ATOM 956 CB VAL A 68 -14.461 0.485 1.492 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.819 0.069 2.076 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.267 1.990 1.729 1.00 0.00 C ATOM 0 H VAL A 68 -11.782 0.260 0.791 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.431 -0.397 3.163 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.446 0.294 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.606 0.683 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.008 -0.980 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.808 0.208 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.104 2.537 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.221 2.187 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.338 2.315 1.260 1.00 0.00 H new ATOM 968 N GLN A 69 -14.085 -2.671 2.203 1.00 0.00 N ATOM 969 CA GLN A 69 -14.277 -4.055 1.803 1.00 0.00 C ATOM 970 C GLN A 69 -14.878 -4.183 0.402 1.00 0.00 C ATOM 971 O GLN A 69 -15.700 -3.367 -0.010 1.00 0.00 O ATOM 972 CB GLN A 69 -15.201 -4.730 2.822 1.00 0.00 C ATOM 973 CG GLN A 69 -14.372 -5.462 3.879 1.00 0.00 C ATOM 974 CD GLN A 69 -13.900 -6.826 3.370 1.00 0.00 C ATOM 975 OE1 GLN A 69 -12.711 -7.106 3.274 1.00 0.00 O ATOM 976 NE2 GLN A 69 -14.832 -7.692 2.991 1.00 0.00 N ATOM 0 H GLN A 69 -14.560 -2.439 3.076 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.301 -4.539 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.836 -3.984 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.862 -5.433 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.509 -4.855 4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.967 -5.595 4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.819 -7.449 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.561 -8.601 2.616 1.00 0.00 H new ATOM 985 N THR A 70 -14.478 -5.247 -0.298 1.00 0.00 N ATOM 986 CA THR A 70 -14.949 -5.602 -1.632 1.00 0.00 C ATOM 987 C THR A 70 -15.217 -7.106 -1.758 1.00 0.00 C ATOM 988 O THR A 70 -16.084 -7.515 -2.530 1.00 0.00 O ATOM 989 CB THR A 70 -13.954 -5.118 -2.692 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.647 -5.604 -2.442 1.00 0.00 O ATOM 991 CG2 THR A 70 -13.925 -3.589 -2.740 1.00 0.00 C ATOM 0 H THR A 70 -13.791 -5.908 0.066 1.00 0.00 H new ATOM 0 HA THR A 70 -15.901 -5.098 -1.800 1.00 0.00 H new ATOM 0 HB THR A 70 -14.289 -5.509 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.593 -5.938 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.213 -3.262 -3.498 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.918 -3.214 -2.989 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.623 -3.200 -1.767 1.00 0.00 H new ATOM 999 N SER A 71 -14.475 -7.953 -1.040 1.00 0.00 N ATOM 1000 CA SER A 71 -14.672 -9.401 -1.035 1.00 0.00 C ATOM 1001 C SER A 71 -14.151 -9.912 0.312 1.00 0.00 C ATOM 1002 O SER A 71 -13.535 -9.131 1.036 1.00 0.00 O ATOM 1003 CB SER A 71 -13.985 -10.053 -2.250 1.00 0.00 C ATOM 1004 OG SER A 71 -14.056 -9.222 -3.394 1.00 0.00 O ATOM 0 H SER A 71 -13.711 -7.646 -0.438 1.00 0.00 H new ATOM 0 HA SER A 71 -15.724 -9.668 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.941 -10.258 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.457 -11.011 -2.465 1.00 0.00 H new ATOM 0 HG SER A 71 -13.610 -9.663 -4.147 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.433 -11.163 0.706 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.965 -11.742 1.959 1.00 0.00 C ATOM 1012 C PRO A 72 -12.493 -11.417 2.248 1.00 0.00 C ATOM 1013 O PRO A 72 -11.603 -11.933 1.578 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.222 -13.244 1.817 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.491 -13.278 0.965 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.300 -12.097 0.010 1.00 0.00 C ATOM 0 HA PRO A 72 -14.492 -11.324 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.391 -13.754 1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.368 -13.725 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.590 -14.220 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.388 -13.163 1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.852 -12.422 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.256 -11.634 -0.236 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.254 -10.545 3.235 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.929 -10.091 3.645 1.00 0.00 C ATOM 1026 C LYS A 73 -10.143 -9.465 2.483 1.00 0.00 C ATOM 1027 O LYS A 73 -8.922 -9.595 2.418 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.153 -11.230 4.330 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.938 -11.847 5.496 1.00 0.00 C ATOM 1030 CD LYS A 73 -10.078 -12.907 6.197 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.851 -13.632 7.305 1.00 0.00 C ATOM 1032 NZ LYS A 73 -11.258 -12.717 8.386 1.00 0.00 N ATOM 0 H LYS A 73 -13.004 -10.126 3.785 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.063 -9.295 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.926 -12.004 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.200 -10.849 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.224 -11.070 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.860 -12.298 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.729 -13.634 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.193 -12.433 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.736 -14.106 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.231 -14.428 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.702 -13.261 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.422 -12.220 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.938 -12.023 8.015 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.834 -8.758 1.584 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.250 -8.080 0.439 1.00 0.00 C ATOM 1048 C LYS A 74 -10.903 -6.706 0.343 1.00 0.00 C ATOM 1049 O LYS A 74 -12.109 -6.602 0.096 1.00 0.00 O ATOM 1050 CB LYS A 74 -10.495 -8.896 -0.834 1.00 0.00 C ATOM 1051 CG LYS A 74 -9.751 -8.302 -2.036 1.00 0.00 C ATOM 1052 CD LYS A 74 -10.135 -9.051 -3.316 1.00 0.00 C ATOM 1053 CE LYS A 74 -9.346 -8.492 -4.505 1.00 0.00 C ATOM 1054 NZ LYS A 74 -9.739 -9.148 -5.764 1.00 0.00 N ATOM 0 H LYS A 74 -11.846 -8.642 1.641 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.171 -7.973 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.170 -9.924 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.564 -8.928 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.994 -7.244 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.675 -8.368 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.930 -10.115 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.205 -8.951 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.515 -7.418 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.279 -8.635 -4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.188 -8.749 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.555 -10.169 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.752 -8.990 -5.936 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.103 -5.655 0.528 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.551 -4.277 0.491 1.00 0.00 C ATOM 1070 C PHE A 75 -9.914 -3.568 -0.705 1.00 0.00 C ATOM 1071 O PHE A 75 -8.833 -3.948 -1.161 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.140 -3.538 1.774 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.687 -3.981 3.123 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.369 -5.252 3.641 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.220 -3.006 3.991 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -10.682 -5.576 4.973 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.519 -3.324 5.327 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.262 -4.615 5.816 1.00 0.00 C ATOM 0 H PHE A 75 -9.104 -5.749 0.711 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.638 -4.270 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.053 -3.581 1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.411 -2.490 1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.882 -5.982 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.400 -2.006 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.476 -6.567 5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.946 -2.575 5.978 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.510 -4.868 6.836 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.580 -2.519 -1.189 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.081 -1.641 -2.237 1.00 0.00 C ATOM 1090 C LYS A 76 -10.251 -0.191 -1.801 1.00 0.00 C ATOM 1091 O LYS A 76 -11.054 0.123 -0.919 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.763 -1.870 -3.595 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.489 -3.271 -4.147 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.034 -3.388 -5.577 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.387 -4.546 -6.343 1.00 0.00 C ATOM 1096 NZ LYS A 76 -8.949 -4.309 -6.571 1.00 0.00 N ATOM 0 H LYS A 76 -11.505 -2.253 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.026 -1.875 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.838 -1.726 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.410 -1.124 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.417 -3.470 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.957 -4.020 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.114 -3.534 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.855 -2.455 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.520 -5.472 -5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.891 -4.677 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.633 -4.857 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.787 -3.297 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.411 -4.606 -5.732 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.465 0.688 -2.418 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.497 2.113 -2.152 1.00 0.00 C ATOM 1112 C CYS A 77 -10.656 2.726 -2.919 1.00 0.00 C ATOM 1113 O CYS A 77 -10.661 2.690 -4.151 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.172 2.754 -2.561 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.806 2.339 -1.464 1.00 0.00 S ATOM 0 H CYS A 77 -8.781 0.421 -3.126 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.638 2.291 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.923 2.439 -3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.293 3.837 -2.584 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.638 3.276 -2.200 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.808 3.904 -2.793 1.00 0.00 C ATOM 1122 C LEU A 78 -13.009 5.287 -2.190 1.00 0.00 C ATOM 1123 O LEU A 78 -12.519 5.594 -1.105 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.034 3.006 -2.594 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.283 3.377 -3.412 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.012 3.344 -4.923 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.392 2.370 -3.085 1.00 0.00 C ATOM 0 H LEU A 78 -11.637 3.295 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.662 4.029 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.753 1.982 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.300 3.017 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.576 4.393 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.921 3.612 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.222 4.055 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.700 2.341 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.287 2.616 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.060 1.365 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.618 2.411 -2.020 1.00 0.00 H new ATOM 1139 N SER A 79 -13.713 6.127 -2.939 1.00 0.00 N ATOM 1140 CA SER A 79 -13.994 7.506 -2.583 1.00 0.00 C ATOM 1141 C SER A 79 -15.151 7.543 -1.581 1.00 0.00 C ATOM 1142 O SER A 79 -16.305 7.668 -1.985 1.00 0.00 O ATOM 1143 CB SER A 79 -14.321 8.286 -3.860 1.00 0.00 C ATOM 1144 OG SER A 79 -13.299 8.073 -4.818 1.00 0.00 O ATOM 0 H SER A 79 -14.114 5.856 -3.837 1.00 0.00 H new ATOM 0 HA SER A 79 -13.129 7.971 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.282 7.963 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.409 9.349 -3.637 1.00 0.00 H new ATOM 0 HG SER A 79 -13.509 8.570 -5.636 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.842 7.390 -0.294 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.750 7.398 0.836 1.00 0.00 C ATOM 1152 C LYS A 80 -14.948 8.016 1.981 1.00 0.00 C ATOM 1153 O LYS A 80 -15.582 8.455 2.963 1.00 0.00 O ATOM 1154 CB LYS A 80 -16.167 5.964 1.208 1.00 0.00 C ATOM 1155 CG LYS A 80 -16.914 5.191 0.110 1.00 0.00 C ATOM 1156 CD LYS A 80 -18.298 5.791 -0.179 1.00 0.00 C ATOM 1157 CE LYS A 80 -18.998 5.068 -1.335 1.00 0.00 C ATOM 1158 NZ LYS A 80 -19.265 3.653 -1.024 1.00 0.00 N ATOM 1159 OXT LYS A 80 -13.702 8.023 1.835 1.00 0.00 O ATOM 0 H LYS A 80 -13.876 7.247 0.000 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.663 7.951 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.273 5.403 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.800 6.006 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.320 5.195 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.027 4.150 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.916 5.729 0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.193 6.849 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.937 5.572 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.379 5.131 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.842 3.234 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.365 3.138 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.777 3.587 -0.121 1.00 0.00 H new TER 1173 LYS A 80