USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 394 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 29 GLN : amide:sc= 0.494 K(o=1,f=-1.1) USER MOD Set 1.2: A 30 THR OG1 : rot -66:sc= 0.532 USER MOD Single : A 1 ASP N :NH3+ -171:sc= -8.09! (180deg=-8.53!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 53:sc= 0.0453 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 82:sc= 0.87 USER MOD Single : A 22 ASN :FLIP amide:sc=-0.00258 F(o=-0.91,f=-0.0026) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0264 (180deg=-0.224) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 42 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.34!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 1:sc= 0.337 USER MOD Single : A 50 MET CE :methyl 172:sc= 0 (180deg=-0.0471) USER MOD Single : A 52 THR OG1 : rot 150:sc= -0.418! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.349 7.827 3.724 1.00 0.00 N ATOM 2 CA ASP A 1 -2.211 6.891 3.879 1.00 0.00 C ATOM 3 C ASP A 1 -2.693 5.471 3.781 1.00 0.00 C ATOM 4 O ASP A 1 -2.027 4.607 3.204 1.00 0.00 O ATOM 5 CB ASP A 1 -1.527 7.142 5.231 1.00 0.00 C ATOM 6 CG ASP A 1 -0.855 8.502 5.311 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.064 8.760 4.505 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.249 9.308 6.180 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.990 8.799 3.640 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.886 7.581 2.868 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.971 7.758 4.555 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.488 7.059 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.267 7.061 6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.784 6.364 5.406 1.00 0.00 H new ATOM 15 N PHE A 2 -3.849 5.245 4.381 1.00 0.00 N ATOM 16 CA PHE A 2 -4.461 3.956 4.427 1.00 0.00 C ATOM 17 C PHE A 2 -5.901 3.996 3.968 1.00 0.00 C ATOM 18 O PHE A 2 -6.430 2.986 3.506 1.00 0.00 O ATOM 19 CB PHE A 2 -4.408 3.477 5.851 1.00 0.00 C ATOM 20 CG PHE A 2 -3.076 3.025 6.339 1.00 0.00 C ATOM 21 CD1 PHE A 2 -2.021 3.910 6.493 1.00 0.00 C ATOM 22 CD2 PHE A 2 -2.900 1.703 6.665 1.00 0.00 C ATOM 23 CE1 PHE A 2 -0.804 3.467 6.963 1.00 0.00 C ATOM 24 CE2 PHE A 2 -1.701 1.251 7.135 1.00 0.00 C ATOM 25 CZ PHE A 2 -0.641 2.132 7.289 1.00 0.00 C ATOM 0 H PHE A 2 -4.386 5.972 4.853 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.925 3.285 3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.755 4.283 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.112 2.653 5.963 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.153 4.952 6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.721 1.011 6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.018 4.158 7.076 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -1.578 0.208 7.387 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.308 1.777 7.662 1.00 0.00 H new ATOM 35 N CYS A 3 -6.544 5.151 4.143 1.00 0.00 N ATOM 36 CA CYS A 3 -7.946 5.292 3.796 1.00 0.00 C ATOM 37 C CYS A 3 -8.245 6.453 2.838 1.00 0.00 C ATOM 38 O CYS A 3 -9.273 6.418 2.162 1.00 0.00 O ATOM 39 CB CYS A 3 -8.745 5.465 5.079 1.00 0.00 C ATOM 40 SG CYS A 3 -8.516 4.135 6.312 1.00 0.00 S ATOM 0 H CYS A 3 -6.113 5.995 4.521 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.234 4.388 3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.470 6.416 5.536 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.803 5.527 4.825 1.00 0.00 H new ATOM 45 N LEU A 4 -7.385 7.492 2.767 1.00 0.00 N ATOM 46 CA LEU A 4 -7.654 8.628 1.870 1.00 0.00 C ATOM 47 C LEU A 4 -6.390 9.333 1.421 1.00 0.00 C ATOM 48 O LEU A 4 -6.171 9.541 0.224 1.00 0.00 O ATOM 49 CB LEU A 4 -8.601 9.652 2.524 1.00 0.00 C ATOM 50 CG LEU A 4 -8.455 9.811 4.038 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.603 11.271 4.441 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.507 8.960 4.729 1.00 0.00 C ATOM 0 H LEU A 4 -6.522 7.565 3.306 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.134 8.200 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.436 10.623 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.629 9.363 2.304 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.462 9.480 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.496 11.363 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.833 11.864 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.587 11.633 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.410 9.068 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.500 9.287 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.367 7.914 4.454 1.00 0.00 H new ATOM 64 N GLU A 5 -5.577 9.706 2.401 1.00 0.00 N ATOM 65 CA GLU A 5 -4.320 10.408 2.190 1.00 0.00 C ATOM 66 C GLU A 5 -3.392 9.657 1.208 1.00 0.00 C ATOM 67 O GLU A 5 -3.551 8.448 1.024 1.00 0.00 O ATOM 68 CB GLU A 5 -3.667 10.596 3.549 1.00 0.00 C ATOM 69 CG GLU A 5 -4.162 11.821 4.307 1.00 0.00 C ATOM 70 CD GLU A 5 -3.495 11.986 5.661 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.665 11.096 6.524 1.00 0.00 O ATOM 72 OE2 GLU A 5 -2.799 13.004 5.859 1.00 0.00 O ATOM 0 H GLU A 5 -5.778 9.525 3.384 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.511 11.376 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.849 9.708 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.588 10.675 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.979 12.712 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.241 11.745 4.445 1.00 0.00 H new ATOM 79 N PRO A 6 -2.437 10.368 0.528 1.00 0.00 N ATOM 80 CA PRO A 6 -1.525 9.759 -0.476 1.00 0.00 C ATOM 81 C PRO A 6 -0.721 8.531 0.021 1.00 0.00 C ATOM 82 O PRO A 6 0.248 8.680 0.776 1.00 0.00 O ATOM 83 CB PRO A 6 -0.581 10.910 -0.841 1.00 0.00 C ATOM 84 CG PRO A 6 -1.365 12.142 -0.564 1.00 0.00 C ATOM 85 CD PRO A 6 -2.197 11.829 0.644 1.00 0.00 C ATOM 0 HA PRO A 6 -2.099 9.354 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.331 10.878 -0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.280 10.859 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.707 12.991 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.993 12.406 -1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.674 12.078 1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.131 12.391 0.645 1.00 0.00 H new ATOM 93 N PRO A 7 -1.114 7.285 -0.412 1.00 0.00 N ATOM 94 CA PRO A 7 -0.418 6.040 -0.021 1.00 0.00 C ATOM 95 C PRO A 7 1.008 5.947 -0.591 1.00 0.00 C ATOM 96 O PRO A 7 1.282 6.462 -1.678 1.00 0.00 O ATOM 97 CB PRO A 7 -1.307 4.929 -0.586 1.00 0.00 C ATOM 98 CG PRO A 7 -2.093 5.556 -1.680 1.00 0.00 C ATOM 99 CD PRO A 7 -2.265 7.001 -1.305 1.00 0.00 C ATOM 0 HA PRO A 7 -0.284 5.980 1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.706 4.101 -0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.963 4.524 0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.574 5.462 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.060 5.066 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.255 7.645 -2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.214 7.170 -0.797 1.00 0.00 H new ATOM 107 N TYR A 8 1.905 5.301 0.172 1.00 0.00 N ATOM 108 CA TYR A 8 3.316 5.137 -0.210 1.00 0.00 C ATOM 109 C TYR A 8 3.498 4.172 -1.385 1.00 0.00 C ATOM 110 O TYR A 8 2.854 3.122 -1.438 1.00 0.00 O ATOM 111 CB TYR A 8 4.132 4.653 0.998 1.00 0.00 C ATOM 112 CG TYR A 8 4.409 5.727 2.043 1.00 0.00 C ATOM 113 CD1 TYR A 8 3.377 6.438 2.658 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.714 6.022 2.418 1.00 0.00 C ATOM 115 CE1 TYR A 8 3.643 7.406 3.607 1.00 0.00 C ATOM 116 CE2 TYR A 8 5.985 6.989 3.368 1.00 0.00 C ATOM 117 CZ TYR A 8 4.947 7.678 3.959 1.00 0.00 C ATOM 118 OH TYR A 8 5.215 8.641 4.904 1.00 0.00 O ATOM 0 H TYR A 8 1.672 4.878 1.070 1.00 0.00 H new ATOM 0 HA TYR A 8 3.678 6.112 -0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.600 3.829 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.083 4.255 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.353 6.228 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.532 5.486 1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.832 7.947 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.006 7.204 3.646 1.00 0.00 H new ATOM 0 HH TYR A 8 6.184 8.708 5.037 1.00 0.00 H new ATOM 128 N THR A 9 4.384 4.547 -2.326 1.00 0.00 N ATOM 129 CA THR A 9 4.661 3.728 -3.516 1.00 0.00 C ATOM 130 C THR A 9 6.132 3.818 -3.940 1.00 0.00 C ATOM 131 O THR A 9 6.487 4.524 -4.894 1.00 0.00 O ATOM 132 CB THR A 9 3.745 4.123 -4.687 1.00 0.00 C ATOM 133 OG1 THR A 9 3.721 5.529 -4.864 1.00 0.00 O ATOM 134 CG2 THR A 9 2.321 3.649 -4.517 1.00 0.00 C ATOM 0 H THR A 9 4.920 5.414 -2.283 1.00 0.00 H new ATOM 0 HA THR A 9 4.453 2.693 -3.245 1.00 0.00 H new ATOM 0 HB THR A 9 4.170 3.631 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.638 5.865 -4.941 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.729 3.961 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.306 2.562 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.899 4.082 -3.610 1.00 0.00 H new ATOM 142 N GLY A 10 6.974 3.071 -3.229 1.00 0.00 N ATOM 143 CA GLY A 10 8.398 3.025 -3.533 1.00 0.00 C ATOM 144 C GLY A 10 9.271 3.915 -2.645 1.00 0.00 C ATOM 145 O GLY A 10 10.123 4.630 -3.182 1.00 0.00 O ATOM 0 H GLY A 10 6.693 2.490 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.742 1.995 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.543 3.318 -4.573 1.00 0.00 H new ATOM 149 N PRO A 11 9.122 3.899 -1.281 1.00 0.00 N ATOM 150 CA PRO A 11 9.955 4.718 -0.387 1.00 0.00 C ATOM 151 C PRO A 11 11.320 4.067 -0.098 1.00 0.00 C ATOM 152 O PRO A 11 12.250 4.737 0.359 1.00 0.00 O ATOM 153 CB PRO A 11 9.123 4.820 0.903 1.00 0.00 C ATOM 154 CG PRO A 11 7.884 4.005 0.674 1.00 0.00 C ATOM 155 CD PRO A 11 8.171 3.098 -0.488 1.00 0.00 C ATOM 0 HA PRO A 11 10.189 5.686 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.684 4.442 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.870 5.858 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.632 3.427 1.563 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.031 4.649 0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.605 2.151 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.269 2.861 -1.052 1.00 0.00 H new ATOM 163 N CYS A 12 11.416 2.758 -0.382 1.00 0.00 N ATOM 164 CA CYS A 12 12.645 1.989 -0.175 1.00 0.00 C ATOM 165 C CYS A 12 13.111 1.340 -1.490 1.00 0.00 C ATOM 166 O CYS A 12 14.281 1.465 -1.863 1.00 0.00 O ATOM 167 CB CYS A 12 12.433 0.919 0.906 1.00 0.00 C ATOM 168 SG CYS A 12 11.948 1.576 2.540 1.00 0.00 S ATOM 0 H CYS A 12 10.644 2.208 -0.760 1.00 0.00 H new ATOM 0 HA CYS A 12 13.423 2.674 0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.665 0.224 0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.354 0.346 1.018 1.00 0.00 H new ATOM 173 N ARG A 13 12.183 0.658 -2.185 1.00 0.00 N ATOM 174 CA ARG A 13 12.472 -0.004 -3.457 1.00 0.00 C ATOM 175 C ARG A 13 11.986 0.854 -4.637 1.00 0.00 C ATOM 176 O ARG A 13 11.986 2.085 -4.550 1.00 0.00 O ATOM 177 CB ARG A 13 11.831 -1.404 -3.508 1.00 0.00 C ATOM 178 CG ARG A 13 12.495 -2.437 -2.606 1.00 0.00 C ATOM 179 CD ARG A 13 11.996 -3.853 -2.893 1.00 0.00 C ATOM 180 NE ARG A 13 10.547 -4.026 -2.662 1.00 0.00 N ATOM 181 CZ ARG A 13 9.897 -5.194 -2.774 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.542 -6.313 -3.101 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.591 -5.240 -2.555 1.00 0.00 N ATOM 0 H ARG A 13 11.216 0.554 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 13 13.553 -0.122 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.781 -1.319 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.860 -1.766 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.575 -2.398 -2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.298 -2.188 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.224 -4.107 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.542 -4.556 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 13 10.005 -3.203 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.547 -6.291 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.030 -7.192 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.086 -4.390 -2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.091 -6.125 -2.639 1.00 0.00 H new ATOM 197 N ALA A 14 11.575 0.193 -5.738 1.00 0.00 N ATOM 198 CA ALA A 14 11.088 0.874 -6.932 1.00 0.00 C ATOM 199 C ALA A 14 9.628 1.319 -6.775 1.00 0.00 C ATOM 200 O ALA A 14 9.369 2.470 -6.409 1.00 0.00 O ATOM 201 CB ALA A 14 11.278 -0.016 -8.160 1.00 0.00 C ATOM 0 H ALA A 14 11.575 -0.824 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 14 11.677 1.780 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.911 0.503 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.337 -0.242 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.722 -0.944 -8.026 1.00 0.00 H new ATOM 207 N ALA A 15 8.684 0.402 -7.042 1.00 0.00 N ATOM 208 CA ALA A 15 7.244 0.674 -6.929 1.00 0.00 C ATOM 209 C ALA A 15 6.418 -0.591 -7.169 1.00 0.00 C ATOM 210 O ALA A 15 6.370 -1.113 -8.290 1.00 0.00 O ATOM 211 CB ALA A 15 6.797 1.776 -7.897 1.00 0.00 C ATOM 0 H ALA A 15 8.899 -0.549 -7.342 1.00 0.00 H new ATOM 0 HA ALA A 15 7.069 1.019 -5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.727 1.948 -7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.338 2.696 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.008 1.468 -8.921 1.00 0.00 H new ATOM 217 N ILE A 16 5.764 -1.069 -6.107 1.00 0.00 N ATOM 218 CA ILE A 16 4.919 -2.261 -6.177 1.00 0.00 C ATOM 219 C ILE A 16 3.473 -1.823 -5.883 1.00 0.00 C ATOM 220 O ILE A 16 3.257 -0.974 -5.010 1.00 0.00 O ATOM 221 CB ILE A 16 5.414 -3.359 -5.180 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.939 -3.559 -5.281 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.714 -4.695 -5.417 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.736 -2.709 -4.311 1.00 0.00 C ATOM 0 H ILE A 16 5.805 -0.643 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 16 4.970 -2.710 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 16 5.164 -3.006 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.170 -4.609 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.259 -3.330 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.085 -5.432 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.639 -4.571 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.917 -5.037 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.800 -2.906 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.536 -1.655 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.446 -2.954 -3.289 1.00 0.00 H new ATOM 236 N ILE A 17 2.497 -2.341 -6.650 1.00 0.00 N ATOM 237 CA ILE A 17 1.091 -1.917 -6.498 1.00 0.00 C ATOM 238 C ILE A 17 0.099 -3.079 -6.317 1.00 0.00 C ATOM 239 O ILE A 17 0.316 -4.212 -6.754 1.00 0.00 O ATOM 240 CB ILE A 17 0.664 -1.076 -7.752 1.00 0.00 C ATOM 241 CG1 ILE A 17 1.576 0.157 -7.963 1.00 0.00 C ATOM 242 CG2 ILE A 17 -0.805 -0.650 -7.718 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.445 1.239 -6.902 1.00 0.00 C ATOM 0 H ILE A 17 2.651 -3.044 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 17 1.050 -1.326 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 17 0.787 -1.746 -8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.613 -0.177 -7.994 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.352 0.594 -8.936 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.037 -0.072 -8.613 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.440 -1.535 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.986 -0.039 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.122 2.061 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.419 1.608 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.700 0.825 -5.926 1.00 0.00 H new ATOM 255 N ARG A 18 -1.026 -2.693 -5.701 1.00 0.00 N ATOM 256 CA ARG A 18 -2.204 -3.529 -5.425 1.00 0.00 C ATOM 257 C ARG A 18 -3.336 -2.597 -4.943 1.00 0.00 C ATOM 258 O ARG A 18 -3.444 -1.495 -5.465 1.00 0.00 O ATOM 259 CB ARG A 18 -1.939 -4.675 -4.423 1.00 0.00 C ATOM 260 CG ARG A 18 -2.788 -5.928 -4.657 1.00 0.00 C ATOM 261 CD ARG A 18 -2.314 -6.750 -5.864 1.00 0.00 C ATOM 262 NE ARG A 18 -0.973 -7.342 -5.678 1.00 0.00 N ATOM 263 CZ ARG A 18 -0.681 -8.360 -4.848 1.00 0.00 C ATOM 264 NH1 ARG A 18 -1.624 -8.931 -4.101 1.00 0.00 N ATOM 265 NH2 ARG A 18 0.566 -8.804 -4.770 1.00 0.00 N ATOM 0 H ARG A 18 -1.146 -1.738 -5.363 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.488 -4.041 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.885 -4.950 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.124 -4.309 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.760 -6.553 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.827 -5.635 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.032 -7.547 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.302 -6.112 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.207 -6.947 -6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.587 -8.598 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.384 -9.702 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.297 -8.374 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.794 -9.575 -4.143 1.00 0.00 H new ATOM 279 N TYR A 19 -4.184 -3.024 -3.985 1.00 0.00 N ATOM 280 CA TYR A 19 -5.320 -2.193 -3.535 1.00 0.00 C ATOM 281 C TYR A 19 -5.073 -1.345 -2.282 1.00 0.00 C ATOM 282 O TYR A 19 -4.588 -1.839 -1.261 1.00 0.00 O ATOM 283 CB TYR A 19 -6.546 -3.093 -3.295 1.00 0.00 C ATOM 284 CG TYR A 19 -7.210 -3.674 -4.545 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.488 -3.991 -5.698 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.580 -3.910 -4.555 1.00 0.00 C ATOM 287 CE1 TYR A 19 -7.113 -4.518 -6.813 1.00 0.00 C ATOM 288 CE2 TYR A 19 -9.209 -4.438 -5.667 1.00 0.00 C ATOM 289 CZ TYR A 19 -8.473 -4.739 -6.791 1.00 0.00 C ATOM 290 OH TYR A 19 -9.098 -5.264 -7.899 1.00 0.00 O ATOM 0 H TYR A 19 -4.106 -3.925 -3.514 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.481 -1.477 -4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.244 -3.919 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.292 -2.518 -2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.422 -3.821 -5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.164 -3.676 -3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.539 -4.755 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.275 -4.614 -5.654 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.057 -5.359 -7.720 1.00 0.00 H new ATOM 300 N PHE A 20 -5.495 -0.064 -2.380 1.00 0.00 N ATOM 301 CA PHE A 20 -5.425 0.898 -1.275 1.00 0.00 C ATOM 302 C PHE A 20 -6.832 1.493 -1.076 1.00 0.00 C ATOM 303 O PHE A 20 -7.724 1.225 -1.877 1.00 0.00 O ATOM 304 CB PHE A 20 -4.310 1.951 -1.554 1.00 0.00 C ATOM 305 CG PHE A 20 -4.678 3.328 -2.040 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.261 4.264 -1.204 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.382 3.691 -3.326 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.558 5.531 -1.665 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.665 4.951 -3.795 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.261 5.873 -2.967 1.00 0.00 C ATOM 0 H PHE A 20 -5.894 0.325 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.138 0.424 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.742 2.074 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.632 1.518 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.486 4.001 -0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.917 2.973 -3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.021 6.252 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.420 5.217 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.495 6.861 -3.335 1.00 0.00 H new ATOM 320 N TYR A 21 -7.038 2.283 -0.023 1.00 0.00 N ATOM 321 CA TYR A 21 -8.346 2.889 0.219 1.00 0.00 C ATOM 322 C TYR A 21 -8.288 4.383 -0.140 1.00 0.00 C ATOM 323 O TYR A 21 -7.577 5.151 0.510 1.00 0.00 O ATOM 324 CB TYR A 21 -8.766 2.700 1.687 1.00 0.00 C ATOM 325 CG TYR A 21 -10.257 2.809 1.927 1.00 0.00 C ATOM 326 CD1 TYR A 21 -11.095 1.728 1.686 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.825 3.987 2.392 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.456 1.818 1.901 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.185 4.086 2.608 1.00 0.00 C ATOM 330 CZ TYR A 21 -12.995 3.000 2.362 1.00 0.00 C ATOM 331 OH TYR A 21 -14.350 3.095 2.581 1.00 0.00 O ATOM 0 H TYR A 21 -6.325 2.516 0.668 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.091 2.399 -0.408 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.426 1.722 2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.256 3.445 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.675 0.801 1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.193 4.840 2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.094 0.968 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.611 5.011 2.968 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.567 2.713 3.457 1.00 0.00 H new ATOM 341 N ASN A 22 -9.026 4.782 -1.184 1.00 0.00 N ATOM 342 CA ASN A 22 -9.059 6.182 -1.628 1.00 0.00 C ATOM 343 C ASN A 22 -10.468 6.744 -1.388 1.00 0.00 C ATOM 344 O ASN A 22 -11.251 6.917 -2.328 1.00 0.00 O ATOM 345 CB ASN A 22 -8.640 6.287 -3.099 1.00 0.00 C ATOM 346 CG ASN A 22 -8.443 7.720 -3.572 1.00 0.00 C ATOM 347 OD1 ASN A 22 -9.214 8.123 -4.575 1.00 0.00 O flip ATOM 348 ND2 ASN A 22 -7.609 8.452 -3.039 1.00 0.00 N flip ATOM 0 H ASN A 22 -9.609 4.154 -1.738 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.347 6.776 -1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.712 5.734 -3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.398 5.809 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.038 8.100 -2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.489 9.411 -3.366 1.00 0.00 H new ATOM 355 N ALA A 23 -10.788 6.963 -0.097 1.00 0.00 N ATOM 356 CA ALA A 23 -12.112 7.435 0.372 1.00 0.00 C ATOM 357 C ALA A 23 -12.560 8.801 -0.186 1.00 0.00 C ATOM 358 O ALA A 23 -13.160 9.621 0.522 1.00 0.00 O ATOM 359 CB ALA A 23 -12.124 7.447 1.896 1.00 0.00 C ATOM 0 H ALA A 23 -10.125 6.815 0.664 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.843 6.729 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.095 7.793 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.940 6.440 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.345 8.117 2.261 1.00 0.00 H new ATOM 365 N LYS A 24 -12.281 9.015 -1.461 1.00 0.00 N ATOM 366 CA LYS A 24 -12.647 10.237 -2.163 1.00 0.00 C ATOM 367 C LYS A 24 -13.278 9.948 -3.532 1.00 0.00 C ATOM 368 O LYS A 24 -14.315 10.522 -3.874 1.00 0.00 O ATOM 369 CB LYS A 24 -11.420 11.126 -2.350 1.00 0.00 C ATOM 370 CG LYS A 24 -11.029 11.945 -1.120 1.00 0.00 C ATOM 371 CD LYS A 24 -10.118 11.176 -0.159 1.00 0.00 C ATOM 372 CE LYS A 24 -8.657 11.152 -0.620 1.00 0.00 C ATOM 373 NZ LYS A 24 -8.030 12.505 -0.583 1.00 0.00 N ATOM 0 H LYS A 24 -11.789 8.339 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.388 10.750 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.575 10.500 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.606 11.808 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.524 12.856 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.932 12.251 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.175 11.630 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.481 10.153 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.089 10.473 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.605 10.757 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.995 12.409 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.355 13.061 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.302 12.990 0.296 1.00 0.00 H new ATOM 387 N ALA A 25 -12.625 9.076 -4.315 1.00 0.00 N ATOM 388 CA ALA A 25 -13.085 8.717 -5.663 1.00 0.00 C ATOM 389 C ALA A 25 -14.046 7.534 -5.649 1.00 0.00 C ATOM 390 O ALA A 25 -15.238 7.680 -5.937 1.00 0.00 O ATOM 391 CB ALA A 25 -11.879 8.415 -6.543 1.00 0.00 C ATOM 0 H ALA A 25 -11.767 8.602 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.636 9.565 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.217 8.148 -7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.239 9.296 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.316 7.585 -6.117 1.00 0.00 H new ATOM 397 N GLY A 26 -13.503 6.379 -5.302 1.00 0.00 N ATOM 398 CA GLY A 26 -14.268 5.149 -5.227 1.00 0.00 C ATOM 399 C GLY A 26 -14.015 4.438 -3.919 1.00 0.00 C ATOM 400 O GLY A 26 -14.572 3.369 -3.655 1.00 0.00 O ATOM 0 H GLY A 26 -12.517 6.269 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.331 5.370 -5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.999 4.497 -6.058 1.00 0.00 H new ATOM 404 N LEU A 27 -13.160 5.074 -3.098 1.00 0.00 N ATOM 405 CA LEU A 27 -12.756 4.603 -1.766 1.00 0.00 C ATOM 406 C LEU A 27 -11.763 3.439 -1.811 1.00 0.00 C ATOM 407 O LEU A 27 -11.131 3.135 -0.806 1.00 0.00 O ATOM 408 CB LEU A 27 -13.961 4.333 -0.855 1.00 0.00 C ATOM 409 CG LEU A 27 -14.774 5.596 -0.517 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.949 5.758 -1.471 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.254 5.556 0.925 1.00 0.00 C ATOM 0 H LEU A 27 -12.719 5.957 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.206 5.426 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.616 3.608 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.611 3.878 0.071 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.121 6.460 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.507 6.657 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.579 5.843 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.603 4.890 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.826 6.458 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.886 4.680 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.395 5.501 1.593 1.00 0.00 H new ATOM 423 N CYS A 28 -11.583 2.834 -2.987 1.00 0.00 N ATOM 424 CA CYS A 28 -10.631 1.762 -3.180 1.00 0.00 C ATOM 425 C CYS A 28 -9.799 2.052 -4.420 1.00 0.00 C ATOM 426 O CYS A 28 -10.338 2.285 -5.507 1.00 0.00 O ATOM 427 CB CYS A 28 -11.348 0.436 -3.295 1.00 0.00 C ATOM 428 SG CYS A 28 -12.082 -0.159 -1.732 1.00 0.00 S ATOM 0 H CYS A 28 -12.101 3.082 -3.830 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.966 1.700 -2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.137 0.526 -4.042 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.646 -0.313 -3.661 1.00 0.00 H new ATOM 433 N GLN A 29 -8.483 2.103 -4.217 1.00 0.00 N ATOM 434 CA GLN A 29 -7.533 2.440 -5.269 1.00 0.00 C ATOM 435 C GLN A 29 -6.335 1.456 -5.334 1.00 0.00 C ATOM 436 O GLN A 29 -6.523 0.248 -5.161 1.00 0.00 O ATOM 437 CB GLN A 29 -7.125 3.906 -5.054 1.00 0.00 C ATOM 438 CG GLN A 29 -7.362 4.810 -6.253 1.00 0.00 C ATOM 439 CD GLN A 29 -6.370 4.594 -7.386 1.00 0.00 C ATOM 440 OE1 GLN A 29 -6.287 3.506 -7.957 1.00 0.00 O ATOM 441 NE2 GLN A 29 -5.611 5.633 -7.713 1.00 0.00 N ATOM 0 H GLN A 29 -8.048 1.911 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.995 2.334 -6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.677 4.302 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.067 3.941 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.371 4.643 -6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.310 5.850 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.713 6.516 -7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.926 5.548 -8.464 1.00 0.00 H new ATOM 450 N THR A 30 -5.127 1.972 -5.638 1.00 0.00 N ATOM 451 CA THR A 30 -3.907 1.134 -5.799 1.00 0.00 C ATOM 452 C THR A 30 -2.623 1.790 -5.268 1.00 0.00 C ATOM 453 O THR A 30 -2.485 3.014 -5.335 1.00 0.00 O ATOM 454 CB THR A 30 -3.687 0.821 -7.282 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.746 2.003 -8.064 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.679 -0.168 -7.864 1.00 0.00 C ATOM 0 H THR A 30 -4.963 2.969 -5.779 1.00 0.00 H new ATOM 0 HA THR A 30 -4.090 0.235 -5.210 1.00 0.00 H new ATOM 0 HB THR A 30 -2.697 0.366 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.655 2.369 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.452 -0.334 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.610 -1.113 -7.325 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.689 0.231 -7.769 1.00 0.00 H new ATOM 464 N PHE A 31 -1.655 0.959 -4.772 1.00 0.00 N ATOM 465 CA PHE A 31 -0.347 1.500 -4.255 1.00 0.00 C ATOM 466 C PHE A 31 0.667 0.446 -3.730 1.00 0.00 C ATOM 467 O PHE A 31 1.857 0.746 -3.611 1.00 0.00 O ATOM 468 CB PHE A 31 -0.579 2.475 -3.053 1.00 0.00 C ATOM 469 CG PHE A 31 -0.697 1.767 -1.715 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.661 0.793 -1.511 1.00 0.00 C ATOM 471 CD2 PHE A 31 0.185 2.049 -0.688 1.00 0.00 C ATOM 472 CE1 PHE A 31 -1.750 0.122 -0.321 1.00 0.00 C ATOM 473 CE2 PHE A 31 0.098 1.385 0.516 1.00 0.00 C ATOM 474 CZ PHE A 31 -0.869 0.418 0.700 1.00 0.00 C ATOM 0 H PHE A 31 -1.745 -0.056 -4.718 1.00 0.00 H new ATOM 0 HA PHE A 31 0.074 1.980 -5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.246 3.186 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.487 3.051 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.355 0.559 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.950 2.798 -0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.507 -0.636 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.786 1.621 1.315 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.937 -0.107 1.642 1.00 0.00 H new ATOM 484 N VAL A 32 0.138 -0.695 -3.270 1.00 0.00 N ATOM 485 CA VAL A 32 0.898 -1.760 -2.545 1.00 0.00 C ATOM 486 C VAL A 32 1.904 -1.176 -1.548 1.00 0.00 C ATOM 487 O VAL A 32 1.585 -1.019 -0.366 1.00 0.00 O ATOM 488 CB VAL A 32 1.558 -2.897 -3.411 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.953 -3.310 -2.925 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.697 -4.133 -3.350 1.00 0.00 C ATOM 0 H VAL A 32 -0.849 -0.923 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 32 0.104 -2.279 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 32 1.648 -2.490 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.345 -4.097 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.620 -2.448 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.887 -3.679 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.151 -4.923 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.611 -4.466 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.294 -3.905 -3.742 1.00 0.00 H new ATOM 500 N TYR A 33 3.134 -0.936 -2.037 1.00 0.00 N ATOM 501 CA TYR A 33 4.256 -0.465 -1.222 1.00 0.00 C ATOM 502 C TYR A 33 5.579 -0.447 -2.015 1.00 0.00 C ATOM 503 O TYR A 33 5.603 -0.799 -3.203 1.00 0.00 O ATOM 504 CB TYR A 33 4.292 -1.392 0.002 1.00 0.00 C ATOM 505 CG TYR A 33 5.435 -2.334 0.158 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.487 -3.491 -0.583 1.00 0.00 C ATOM 507 CD2 TYR A 33 6.389 -2.107 1.095 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.496 -4.408 -0.393 1.00 0.00 C ATOM 509 CE2 TYR A 33 7.389 -3.006 1.312 1.00 0.00 C ATOM 510 CZ TYR A 33 7.449 -4.163 0.567 1.00 0.00 C ATOM 511 OH TYR A 33 8.459 -5.072 0.786 1.00 0.00 O ATOM 0 H TYR A 33 3.374 -1.067 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 33 4.125 0.572 -0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.259 -0.764 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.376 -1.983 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.726 -3.683 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.355 -1.199 1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.538 -5.307 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.135 -2.812 2.068 1.00 0.00 H new ATOM 0 HH TYR A 33 9.047 -4.743 1.498 1.00 0.00 H new ATOM 521 N GLY A 34 6.667 -0.026 -1.345 1.00 0.00 N ATOM 522 CA GLY A 34 7.963 0.040 -1.985 1.00 0.00 C ATOM 523 C GLY A 34 9.138 -0.381 -1.106 1.00 0.00 C ATOM 524 O GLY A 34 9.958 0.457 -0.734 1.00 0.00 O ATOM 0 H GLY A 34 6.660 0.268 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.946 -0.594 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.132 1.061 -2.326 1.00 0.00 H new ATOM 528 N GLY A 35 9.246 -1.693 -0.834 1.00 0.00 N ATOM 529 CA GLY A 35 10.370 -2.259 -0.062 1.00 0.00 C ATOM 530 C GLY A 35 10.494 -1.868 1.413 1.00 0.00 C ATOM 531 O GLY A 35 11.418 -2.339 2.082 1.00 0.00 O ATOM 0 H GLY A 35 8.564 -2.387 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.299 -3.345 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.296 -1.975 -0.562 1.00 0.00 H new ATOM 535 N CYS A 36 9.591 -1.031 1.926 1.00 0.00 N ATOM 536 CA CYS A 36 9.644 -0.615 3.336 1.00 0.00 C ATOM 537 C CYS A 36 8.844 -1.600 4.221 1.00 0.00 C ATOM 538 O CYS A 36 8.796 -2.793 3.909 1.00 0.00 O ATOM 539 CB CYS A 36 9.131 0.825 3.459 1.00 0.00 C ATOM 540 SG CYS A 36 9.969 2.001 2.344 1.00 0.00 S ATOM 0 H CYS A 36 8.819 -0.628 1.395 1.00 0.00 H new ATOM 0 HA CYS A 36 10.674 -0.638 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.061 0.839 3.250 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.259 1.160 4.488 1.00 0.00 H new ATOM 545 N ARG A 37 8.212 -1.112 5.312 1.00 0.00 N ATOM 546 CA ARG A 37 7.412 -1.966 6.214 1.00 0.00 C ATOM 547 C ARG A 37 6.035 -2.278 5.608 1.00 0.00 C ATOM 548 O ARG A 37 5.019 -2.363 6.310 1.00 0.00 O ATOM 549 CB ARG A 37 7.286 -1.319 7.614 1.00 0.00 C ATOM 550 CG ARG A 37 6.613 0.056 7.632 1.00 0.00 C ATOM 551 CD ARG A 37 6.430 0.584 9.050 1.00 0.00 C ATOM 552 NE ARG A 37 5.450 -0.199 9.816 1.00 0.00 N ATOM 553 CZ ARG A 37 5.099 0.047 11.087 1.00 0.00 C ATOM 554 NH1 ARG A 37 5.638 1.057 11.766 1.00 0.00 N ATOM 555 NH2 ARG A 37 4.202 -0.728 11.680 1.00 0.00 N ATOM 0 H ARG A 37 8.242 -0.130 5.588 1.00 0.00 H new ATOM 0 HA ARG A 37 7.934 -2.915 6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.721 -1.992 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.283 -1.225 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.214 0.761 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.642 -0.009 7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.389 0.568 9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.108 1.624 9.009 1.00 0.00 H new ATOM 0 HE ARG A 37 5.004 -0.987 9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.330 1.659 11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.359 1.229 12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.783 -1.506 11.170 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.931 -0.547 12.646 1.00 0.00 H new ATOM 569 N ALA A 38 6.033 -2.423 4.270 1.00 0.00 N ATOM 570 CA ALA A 38 4.833 -2.692 3.456 1.00 0.00 C ATOM 571 C ALA A 38 3.693 -1.698 3.761 1.00 0.00 C ATOM 572 O ALA A 38 2.527 -1.935 3.421 1.00 0.00 O ATOM 573 CB ALA A 38 4.381 -4.150 3.583 1.00 0.00 C ATOM 0 H ALA A 38 6.884 -2.355 3.712 1.00 0.00 H new ATOM 0 HA ALA A 38 5.109 -2.535 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.494 -4.311 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.180 -4.810 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.146 -4.369 4.625 1.00 0.00 H new ATOM 579 N LYS A 39 4.072 -0.568 4.418 1.00 0.00 N ATOM 580 CA LYS A 39 3.177 0.525 4.829 1.00 0.00 C ATOM 581 C LYS A 39 1.863 0.010 5.442 1.00 0.00 C ATOM 582 O LYS A 39 0.822 0.656 5.334 1.00 0.00 O ATOM 583 CB LYS A 39 2.948 1.470 3.632 1.00 0.00 C ATOM 584 CG LYS A 39 2.295 2.826 3.956 1.00 0.00 C ATOM 585 CD LYS A 39 3.228 3.764 4.723 1.00 0.00 C ATOM 586 CE LYS A 39 3.087 3.613 6.235 1.00 0.00 C ATOM 587 NZ LYS A 39 3.999 4.530 6.972 1.00 0.00 N ATOM 0 H LYS A 39 5.043 -0.397 4.680 1.00 0.00 H new ATOM 0 HA LYS A 39 3.656 1.090 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.909 1.658 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.324 0.954 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.987 3.307 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.392 2.658 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.260 3.562 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.014 4.795 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.056 3.816 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.301 2.583 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.873 4.397 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.985 4.320 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.778 5.515 6.721 1.00 0.00 H new ATOM 601 N SER A 40 1.941 -1.172 6.100 1.00 0.00 N ATOM 602 CA SER A 40 0.784 -1.835 6.762 1.00 0.00 C ATOM 603 C SER A 40 -0.416 -2.052 5.800 1.00 0.00 C ATOM 604 O SER A 40 -0.867 -3.189 5.636 1.00 0.00 O ATOM 605 CB SER A 40 0.363 -1.069 8.025 1.00 0.00 C ATOM 606 OG SER A 40 -0.652 -1.755 8.739 1.00 0.00 O ATOM 0 H SER A 40 2.811 -1.697 6.189 1.00 0.00 H new ATOM 0 HA SER A 40 1.117 -2.829 7.061 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.230 -0.927 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.006 -0.077 7.747 1.00 0.00 H new ATOM 0 HG SER A 40 -0.895 -1.241 9.537 1.00 0.00 H new ATOM 612 N ASN A 41 -0.895 -0.969 5.135 1.00 0.00 N ATOM 613 CA ASN A 41 -1.985 -1.043 4.162 1.00 0.00 C ATOM 614 C ASN A 41 -1.517 -1.915 3.004 1.00 0.00 C ATOM 615 O ASN A 41 -0.356 -1.810 2.591 1.00 0.00 O ATOM 616 CB ASN A 41 -2.340 0.368 3.655 1.00 0.00 C ATOM 617 CG ASN A 41 -3.533 0.408 2.700 1.00 0.00 C ATOM 618 OD1 ASN A 41 -3.674 -0.434 1.814 1.00 0.00 O ATOM 619 ND2 ASN A 41 -4.379 1.411 2.857 1.00 0.00 N ATOM 0 H ASN A 41 -0.528 -0.027 5.267 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.876 -1.470 4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.553 1.007 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.471 0.790 3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.180 1.505 2.232 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.231 2.091 3.603 1.00 0.00 H new ATOM 626 N ASN A 42 -2.399 -2.791 2.511 1.00 0.00 N ATOM 627 CA ASN A 42 -2.065 -3.718 1.433 1.00 0.00 C ATOM 628 C ASN A 42 -3.267 -4.635 1.207 1.00 0.00 C ATOM 629 O ASN A 42 -3.433 -5.649 1.896 1.00 0.00 O ATOM 630 CB ASN A 42 -0.773 -4.494 1.823 1.00 0.00 C ATOM 631 CG ASN A 42 -0.402 -5.651 0.901 1.00 0.00 C ATOM 632 OD1 ASN A 42 -1.177 -6.587 0.707 1.00 0.00 O ATOM 633 ND2 ASN A 42 0.801 -5.591 0.341 1.00 0.00 N ATOM 0 H ASN A 42 -3.358 -2.875 2.848 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.859 -3.201 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.059 -3.791 1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.894 -4.882 2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.114 -6.340 -0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.412 -4.796 0.529 1.00 0.00 H new ATOM 640 N PHE A 43 -4.121 -4.244 0.259 1.00 0.00 N ATOM 641 CA PHE A 43 -5.325 -4.996 -0.040 1.00 0.00 C ATOM 642 C PHE A 43 -5.242 -5.617 -1.430 1.00 0.00 C ATOM 643 O PHE A 43 -4.285 -5.371 -2.170 1.00 0.00 O ATOM 644 CB PHE A 43 -6.584 -4.119 0.049 1.00 0.00 C ATOM 645 CG PHE A 43 -6.557 -2.944 1.005 1.00 0.00 C ATOM 646 CD1 PHE A 43 -6.011 -3.042 2.279 1.00 0.00 C ATOM 647 CD2 PHE A 43 -7.109 -1.733 0.616 1.00 0.00 C ATOM 648 CE1 PHE A 43 -6.014 -1.962 3.132 1.00 0.00 C ATOM 649 CE2 PHE A 43 -7.118 -0.650 1.471 1.00 0.00 C ATOM 650 CZ PHE A 43 -6.571 -0.765 2.729 1.00 0.00 C ATOM 0 H PHE A 43 -3.994 -3.408 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.400 -5.784 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.796 -3.735 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.420 -4.760 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.579 -3.977 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.538 -1.636 -0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.580 -2.051 4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.553 0.286 1.154 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.578 0.081 3.400 1.00 0.00 H new ATOM 660 N LYS A 44 -6.257 -6.421 -1.777 1.00 0.00 N ATOM 661 CA LYS A 44 -6.316 -7.090 -3.089 1.00 0.00 C ATOM 662 C LYS A 44 -7.762 -7.259 -3.591 1.00 0.00 C ATOM 663 O LYS A 44 -7.979 -7.745 -4.707 1.00 0.00 O ATOM 664 CB LYS A 44 -5.624 -8.459 -3.010 1.00 0.00 C ATOM 665 CG LYS A 44 -5.157 -9.008 -4.354 1.00 0.00 C ATOM 666 CD LYS A 44 -4.493 -10.367 -4.199 1.00 0.00 C ATOM 667 CE LYS A 44 -4.028 -10.915 -5.539 1.00 0.00 C ATOM 668 NZ LYS A 44 -3.375 -12.246 -5.398 1.00 0.00 N ATOM 0 H LYS A 44 -7.050 -6.625 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.795 -6.454 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.764 -8.380 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.311 -9.174 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.008 -9.092 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.456 -8.309 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.641 -10.282 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.194 -11.066 -3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.881 -10.999 -6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.329 -10.214 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.072 -12.585 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.546 -12.162 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.050 -12.922 -4.986 1.00 0.00 H new ATOM 682 N SER A 45 -8.747 -6.866 -2.764 1.00 0.00 N ATOM 683 CA SER A 45 -10.173 -6.985 -3.117 1.00 0.00 C ATOM 684 C SER A 45 -11.028 -6.002 -2.302 1.00 0.00 C ATOM 685 O SER A 45 -10.489 -5.163 -1.574 1.00 0.00 O ATOM 686 CB SER A 45 -10.664 -8.429 -2.888 1.00 0.00 C ATOM 687 OG SER A 45 -9.960 -9.347 -3.707 1.00 0.00 O ATOM 0 H SER A 45 -8.580 -6.462 -1.843 1.00 0.00 H new ATOM 0 HA SER A 45 -10.280 -6.737 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.533 -8.698 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.731 -8.491 -3.102 1.00 0.00 H new ATOM 0 HG SER A 45 -9.299 -8.864 -4.246 1.00 0.00 H new ATOM 693 N ALA A 46 -12.366 -6.120 -2.428 1.00 0.00 N ATOM 694 CA ALA A 46 -13.311 -5.260 -1.710 1.00 0.00 C ATOM 695 C ALA A 46 -13.349 -5.587 -0.217 1.00 0.00 C ATOM 696 O ALA A 46 -13.385 -4.685 0.626 1.00 0.00 O ATOM 697 CB ALA A 46 -14.701 -5.374 -2.320 1.00 0.00 C ATOM 0 H ALA A 46 -12.813 -6.812 -3.029 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.966 -4.231 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.391 -4.729 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.666 -5.067 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.043 -6.407 -2.256 1.00 0.00 H new ATOM 703 N GLU A 47 -13.313 -6.889 0.089 1.00 0.00 N ATOM 704 CA GLU A 47 -13.317 -7.393 1.460 1.00 0.00 C ATOM 705 C GLU A 47 -12.073 -6.927 2.228 1.00 0.00 C ATOM 706 O GLU A 47 -12.133 -6.638 3.425 1.00 0.00 O ATOM 707 CB GLU A 47 -13.429 -8.929 1.451 1.00 0.00 C ATOM 708 CG GLU A 47 -12.367 -9.656 0.623 1.00 0.00 C ATOM 709 CD GLU A 47 -12.529 -11.166 0.651 1.00 0.00 C ATOM 710 OE1 GLU A 47 -12.416 -11.758 1.747 1.00 0.00 O ATOM 711 OE2 GLU A 47 -12.770 -11.757 -0.422 1.00 0.00 O ATOM 0 H GLU A 47 -13.280 -7.625 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.184 -6.985 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.373 -9.287 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.413 -9.203 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.418 -9.309 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.378 -9.394 0.999 1.00 0.00 H new ATOM 718 N ASP A 48 -10.968 -6.831 1.483 1.00 0.00 N ATOM 719 CA ASP A 48 -9.674 -6.374 1.977 1.00 0.00 C ATOM 720 C ASP A 48 -9.730 -4.892 2.338 1.00 0.00 C ATOM 721 O ASP A 48 -9.493 -4.479 3.470 1.00 0.00 O ATOM 722 CB ASP A 48 -8.652 -6.571 0.876 1.00 0.00 C ATOM 723 CG ASP A 48 -8.333 -8.031 0.596 1.00 0.00 C ATOM 724 OD1 ASP A 48 -7.854 -8.724 1.519 1.00 0.00 O ATOM 725 OD2 ASP A 48 -8.563 -8.480 -0.546 1.00 0.00 O ATOM 0 H ASP A 48 -10.953 -7.077 0.493 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.406 -6.941 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.021 -6.107 -0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.733 -6.053 1.148 1.00 0.00 H new ATOM 730 N CYS A 49 -10.079 -4.118 1.323 1.00 0.00 N ATOM 731 CA CYS A 49 -10.243 -2.668 1.389 1.00 0.00 C ATOM 732 C CYS A 49 -11.176 -2.264 2.548 1.00 0.00 C ATOM 733 O CYS A 49 -10.961 -1.248 3.230 1.00 0.00 O ATOM 734 CB CYS A 49 -10.855 -2.273 0.051 1.00 0.00 C ATOM 735 SG CYS A 49 -10.493 -0.583 -0.533 1.00 0.00 S ATOM 0 H CYS A 49 -10.264 -4.494 0.393 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.292 -2.167 1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.510 -2.978 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.937 -2.386 0.122 1.00 0.00 H new ATOM 740 N MET A 50 -12.205 -3.101 2.750 1.00 0.00 N ATOM 741 CA MET A 50 -13.215 -2.915 3.786 1.00 0.00 C ATOM 742 C MET A 50 -12.714 -3.263 5.193 1.00 0.00 C ATOM 743 O MET A 50 -12.967 -2.513 6.137 1.00 0.00 O ATOM 744 CB MET A 50 -14.432 -3.762 3.452 1.00 0.00 C ATOM 745 CG MET A 50 -15.344 -3.160 2.390 1.00 0.00 C ATOM 746 SD MET A 50 -16.774 -4.197 2.003 1.00 0.00 S ATOM 747 CE MET A 50 -17.787 -3.994 3.471 1.00 0.00 C ATOM 0 H MET A 50 -12.355 -3.937 2.186 1.00 0.00 H new ATOM 0 HA MET A 50 -13.469 -1.855 3.800 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.096 -4.742 3.112 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.010 -3.921 4.362 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.693 -2.185 2.731 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.769 -2.992 1.480 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.759 -4.461 3.310 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.294 -4.465 4.321 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.924 -2.932 3.674 1.00 0.00 H new ATOM 757 N ARG A 51 -12.022 -4.406 5.341 1.00 0.00 N ATOM 758 CA ARG A 51 -11.519 -4.846 6.654 1.00 0.00 C ATOM 759 C ARG A 51 -10.529 -3.856 7.286 1.00 0.00 C ATOM 760 O ARG A 51 -10.472 -3.732 8.512 1.00 0.00 O ATOM 761 CB ARG A 51 -10.917 -6.268 6.598 1.00 0.00 C ATOM 762 CG ARG A 51 -9.959 -6.572 5.445 1.00 0.00 C ATOM 763 CD ARG A 51 -8.551 -6.041 5.697 1.00 0.00 C ATOM 764 NE ARG A 51 -7.614 -6.369 4.604 1.00 0.00 N ATOM 765 CZ ARG A 51 -6.993 -7.553 4.449 1.00 0.00 C ATOM 766 NH1 ARG A 51 -7.198 -8.555 5.302 1.00 0.00 N ATOM 767 NH2 ARG A 51 -6.163 -7.728 3.431 1.00 0.00 N ATOM 0 H ARG A 51 -11.799 -5.039 4.573 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.393 -4.875 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.389 -6.449 7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.739 -6.982 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.914 -7.650 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.350 -6.133 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.592 -4.959 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.173 -6.456 6.631 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.423 -5.643 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.835 -8.432 6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.718 -9.445 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.998 -6.968 2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.689 -8.623 3.307 1.00 0.00 H new ATOM 781 N THR A 52 -9.761 -3.164 6.440 1.00 0.00 N ATOM 782 CA THR A 52 -8.775 -2.191 6.908 1.00 0.00 C ATOM 783 C THR A 52 -9.392 -0.792 7.115 1.00 0.00 C ATOM 784 O THR A 52 -9.147 -0.167 8.151 1.00 0.00 O ATOM 785 CB THR A 52 -7.577 -2.106 5.959 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.154 -3.396 5.558 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.354 -1.409 6.550 1.00 0.00 C ATOM 0 H THR A 52 -9.805 -3.261 5.426 1.00 0.00 H new ATOM 0 HA THR A 52 -8.425 -2.548 7.877 1.00 0.00 H new ATOM 0 HB THR A 52 -7.945 -1.515 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.770 -3.349 4.658 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.552 -1.393 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.615 -0.387 6.825 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.020 -1.949 7.436 1.00 0.00 H new ATOM 795 N CYS A 53 -10.161 -0.289 6.126 1.00 0.00 N ATOM 796 CA CYS A 53 -10.752 1.055 6.243 1.00 0.00 C ATOM 797 C CYS A 53 -12.285 1.059 6.293 1.00 0.00 C ATOM 798 O CYS A 53 -12.871 1.977 6.875 1.00 0.00 O ATOM 799 CB CYS A 53 -10.260 1.956 5.107 1.00 0.00 C ATOM 800 SG CYS A 53 -8.504 2.413 5.232 1.00 0.00 S ATOM 0 H CYS A 53 -10.382 -0.781 5.260 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.415 1.446 7.203 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.426 1.448 4.157 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.861 2.865 5.092 1.00 0.00 H new ATOM 805 N GLY A 54 -12.933 0.051 5.696 1.00 0.00 N ATOM 806 CA GLY A 54 -14.391 -0.012 5.706 1.00 0.00 C ATOM 807 C GLY A 54 -15.014 0.578 4.456 1.00 0.00 C ATOM 808 O GLY A 54 -15.589 1.670 4.501 1.00 0.00 O ATOM 0 H GLY A 54 -12.475 -0.719 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.704 -1.051 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.767 0.520 6.580 1.00 0.00 H new