USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 551 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= -0.355 K(o=-0.62,f=-8.5!) USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.0707 K(o=-0.62,f=-1.6) USER MOD Set 1.3: A 56 HIS : no HD1:sc= -0.192 K(o=-0.62,f=-1.5) USER MOD Single : A 12 GLN : amide:sc= 2.08 K(o=2.1,f=-9.9!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.1) USER MOD Single : A 17 THR OG1 : rot -22:sc= 0.541 USER MOD Single : A 22 SER OG : rot 68:sc= 1.16 USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= 0.876 (180deg=0.672) USER MOD Single : A 27 SER OG : rot 180:sc= -0.146 USER MOD Single : A 32 THR OG1 : rot 64:sc= 0.434 USER MOD Single : A 36 THR OG1 : rot 63:sc= 0.794 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0652 USER MOD Single : A 45 SER OG : rot 72:sc= 1.16 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 1.51 K(o=1.5,f=-3!) USER MOD Single : A 55 MET CE :methyl -169:sc= 0 (180deg=-0.155) USER MOD Single : A 57 HIS : no HD1:sc= -6.42! C(o=-6.4!,f=-8.7!) USER MOD Single : A 58 THR OG1 : rot 90:sc= -0.189 USER MOD Single : A 64 ASN : amide:sc= 1.13 K(o=1.1,f=-1.4) USER MOD Single : A 69 GLN : amide:sc= -0.152! C(o=-0.15!,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot -48:sc= 1.08 USER MOD Single : A 71 SER OG : rot 180:sc= -0.242 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0268) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc=-0.00411 (180deg=-0.115) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= 0.519 (180deg=0.285) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 11.211 -0.353 -7.830 1.00 0.00 N ATOM 62 CA GLY A 5 12.018 0.715 -7.272 1.00 0.00 C ATOM 63 C GLY A 5 12.490 0.293 -5.890 1.00 0.00 C ATOM 64 O GLY A 5 11.987 0.804 -4.892 1.00 0.00 O ATOM 0 HA2 GLY A 5 12.872 0.921 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.437 1.635 -7.209 1.00 0.00 H new ATOM 68 N ALA A 6 13.401 -0.684 -5.856 1.00 0.00 N ATOM 69 CA ALA A 6 13.995 -1.251 -4.647 1.00 0.00 C ATOM 70 C ALA A 6 14.305 -0.156 -3.621 1.00 0.00 C ATOM 71 O ALA A 6 15.105 0.739 -3.885 1.00 0.00 O ATOM 72 CB ALA A 6 15.251 -2.046 -5.011 1.00 0.00 C ATOM 0 H ALA A 6 13.758 -1.118 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 6 13.277 -1.930 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.690 -2.467 -4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.986 -2.853 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.973 -1.386 -5.492 1.00 0.00 H new ATOM 78 N CYS A 7 13.634 -0.217 -2.471 1.00 0.00 N ATOM 79 CA CYS A 7 13.678 0.789 -1.424 1.00 0.00 C ATOM 80 C CYS A 7 13.672 0.138 -0.045 1.00 0.00 C ATOM 81 O CYS A 7 13.232 -1.000 0.098 1.00 0.00 O ATOM 82 CB CYS A 7 12.448 1.666 -1.628 1.00 0.00 C ATOM 83 SG CYS A 7 12.159 2.884 -0.343 1.00 0.00 S ATOM 0 H CYS A 7 13.023 -1.001 -2.240 1.00 0.00 H new ATOM 0 HA CYS A 7 14.592 1.380 -1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.544 2.184 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.571 1.023 -1.701 1.00 0.00 H new ATOM 88 N GLU A 8 14.148 0.862 0.969 1.00 0.00 N ATOM 89 CA GLU A 8 14.191 0.435 2.350 1.00 0.00 C ATOM 90 C GLU A 8 12.999 1.046 3.092 1.00 0.00 C ATOM 91 O GLU A 8 12.342 0.342 3.855 1.00 0.00 O ATOM 92 CB GLU A 8 15.511 0.905 2.971 1.00 0.00 C ATOM 93 CG GLU A 8 16.746 0.401 2.210 1.00 0.00 C ATOM 94 CD GLU A 8 17.990 1.172 2.633 1.00 0.00 C ATOM 95 OE1 GLU A 8 18.157 2.294 2.103 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.732 0.644 3.488 1.00 0.00 O ATOM 0 H GLU A 8 14.527 1.799 0.835 1.00 0.00 H new ATOM 0 HA GLU A 8 14.133 -0.651 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.526 1.995 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.563 0.561 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.888 -0.663 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.589 0.514 1.137 1.00 0.00 H new ATOM 103 N ARG A 9 12.719 2.343 2.883 1.00 0.00 N ATOM 104 CA ARG A 9 11.586 3.027 3.516 1.00 0.00 C ATOM 105 C ARG A 9 11.079 4.226 2.705 1.00 0.00 C ATOM 106 O ARG A 9 11.860 4.921 2.052 1.00 0.00 O ATOM 107 CB ARG A 9 11.867 3.414 4.978 1.00 0.00 C ATOM 108 CG ARG A 9 12.793 4.621 5.205 1.00 0.00 C ATOM 109 CD ARG A 9 14.221 4.398 4.704 1.00 0.00 C ATOM 110 NE ARG A 9 15.067 5.567 4.976 1.00 0.00 N ATOM 111 CZ ARG A 9 16.356 5.666 4.623 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.966 4.650 4.002 1.00 0.00 N ATOM 113 NH2 ARG A 9 17.030 6.787 4.895 1.00 0.00 N ATOM 0 H ARG A 9 13.272 2.943 2.271 1.00 0.00 H new ATOM 0 HA ARG A 9 10.779 2.294 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.914 3.619 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.303 2.551 5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.372 5.491 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.822 4.851 6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.646 3.518 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.206 4.198 3.633 1.00 0.00 H new ATOM 0 HE ARG A 9 14.646 6.356 5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.450 3.795 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.947 4.730 3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.563 7.561 5.368 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.011 6.869 4.629 1.00 0.00 H new ATOM 127 N ASP A 10 9.762 4.454 2.809 1.00 0.00 N ATOM 128 CA ASP A 10 8.939 5.460 2.130 1.00 0.00 C ATOM 129 C ASP A 10 9.708 6.717 1.710 1.00 0.00 C ATOM 130 O ASP A 10 9.710 7.110 0.541 1.00 0.00 O ATOM 131 CB ASP A 10 7.769 5.877 3.044 1.00 0.00 C ATOM 132 CG ASP A 10 6.848 4.756 3.501 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.926 3.627 2.969 1.00 0.00 O ATOM 134 OD2 ASP A 10 6.046 5.023 4.423 1.00 0.00 O ATOM 0 H ASP A 10 9.193 3.881 3.432 1.00 0.00 H new ATOM 0 HA ASP A 10 8.583 4.986 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.180 6.365 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.170 6.621 2.518 1.00 0.00 H new ATOM 139 N LEU A 11 10.334 7.353 2.706 1.00 0.00 N ATOM 140 CA LEU A 11 11.094 8.593 2.608 1.00 0.00 C ATOM 141 C LEU A 11 11.948 8.681 1.344 1.00 0.00 C ATOM 142 O LEU A 11 12.041 9.746 0.740 1.00 0.00 O ATOM 143 CB LEU A 11 12.006 8.733 3.839 1.00 0.00 C ATOM 144 CG LEU A 11 11.263 8.857 5.180 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.277 8.755 6.326 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.517 10.192 5.288 1.00 0.00 C ATOM 0 H LEU A 11 10.319 6.989 3.659 1.00 0.00 H new ATOM 0 HA LEU A 11 10.366 9.403 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.667 7.868 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.639 9.611 3.707 1.00 0.00 H new ATOM 0 HG LEU A 11 10.531 8.052 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.758 8.842 7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.786 7.793 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.009 9.558 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.003 10.245 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.229 11.014 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.787 10.267 4.482 1.00 0.00 H new ATOM 158 N GLN A 12 12.585 7.575 0.953 1.00 0.00 N ATOM 159 CA GLN A 12 13.481 7.550 -0.192 1.00 0.00 C ATOM 160 C GLN A 12 12.787 7.935 -1.504 1.00 0.00 C ATOM 161 O GLN A 12 13.440 8.504 -2.375 1.00 0.00 O ATOM 162 CB GLN A 12 14.157 6.180 -0.270 1.00 0.00 C ATOM 163 CG GLN A 12 14.923 5.902 1.029 1.00 0.00 C ATOM 164 CD GLN A 12 15.547 4.517 1.036 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.847 3.529 1.242 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.860 4.423 0.855 1.00 0.00 N ATOM 0 H GLN A 12 12.491 6.675 1.424 1.00 0.00 H new ATOM 0 HA GLN A 12 14.245 8.314 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.409 5.404 -0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.840 6.149 -1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.703 6.652 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.245 5.999 1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.413 5.263 0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.315 3.511 0.885 1.00 0.00 H new ATOM 175 N CYS A 13 11.493 7.626 -1.657 1.00 0.00 N ATOM 176 CA CYS A 13 10.731 7.983 -2.858 1.00 0.00 C ATOM 177 C CYS A 13 9.780 9.145 -2.574 1.00 0.00 C ATOM 178 O CYS A 13 9.570 9.986 -3.445 1.00 0.00 O ATOM 179 CB CYS A 13 10.004 6.772 -3.443 1.00 0.00 C ATOM 180 SG CYS A 13 11.045 5.713 -4.475 1.00 0.00 S ATOM 0 H CYS A 13 10.948 7.124 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 13 11.437 8.319 -3.618 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.596 6.177 -2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.159 7.121 -4.036 1.00 0.00 H new ATOM 185 N GLY A 14 9.211 9.213 -1.367 1.00 0.00 N ATOM 186 CA GLY A 14 8.357 10.320 -0.958 1.00 0.00 C ATOM 187 C GLY A 14 6.865 9.999 -1.042 1.00 0.00 C ATOM 188 O GLY A 14 6.464 9.006 -1.645 1.00 0.00 O ATOM 0 H GLY A 14 9.333 8.499 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.604 10.600 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.571 11.185 -1.586 1.00 0.00 H new ATOM 192 N LYS A 15 6.066 10.904 -0.463 1.00 0.00 N ATOM 193 CA LYS A 15 4.621 10.844 -0.228 1.00 0.00 C ATOM 194 C LYS A 15 3.762 10.233 -1.339 1.00 0.00 C ATOM 195 O LYS A 15 2.778 9.562 -1.042 1.00 0.00 O ATOM 196 CB LYS A 15 4.092 12.244 0.126 1.00 0.00 C ATOM 197 CG LYS A 15 4.889 12.994 1.206 1.00 0.00 C ATOM 198 CD LYS A 15 5.123 12.146 2.463 1.00 0.00 C ATOM 199 CE LYS A 15 5.847 12.973 3.529 1.00 0.00 C ATOM 200 NZ LYS A 15 6.144 12.155 4.716 1.00 0.00 N ATOM 0 H LYS A 15 6.454 11.780 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 15 4.518 10.145 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.081 12.850 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.059 12.150 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.851 13.301 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.355 13.904 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.170 11.790 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.714 11.265 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.773 13.373 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.230 13.825 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.314 12.777 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.337 11.531 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.991 11.579 4.537 1.00 0.00 H new ATOM 214 N GLY A 16 4.090 10.473 -2.611 1.00 0.00 N ATOM 215 CA GLY A 16 3.338 9.891 -3.720 1.00 0.00 C ATOM 216 C GLY A 16 3.416 8.358 -3.730 1.00 0.00 C ATOM 217 O GLY A 16 2.653 7.687 -4.428 1.00 0.00 O ATOM 0 H GLY A 16 4.870 11.065 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.295 10.200 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.724 10.279 -4.662 1.00 0.00 H new ATOM 221 N THR A 17 4.354 7.798 -2.968 1.00 0.00 N ATOM 222 CA THR A 17 4.602 6.381 -2.866 1.00 0.00 C ATOM 223 C THR A 17 4.864 6.017 -1.404 1.00 0.00 C ATOM 224 O THR A 17 4.892 6.875 -0.523 1.00 0.00 O ATOM 225 CB THR A 17 5.846 6.052 -3.718 1.00 0.00 C ATOM 226 OG1 THR A 17 6.976 6.711 -3.180 1.00 0.00 O ATOM 227 CG2 THR A 17 5.719 6.477 -5.184 1.00 0.00 C ATOM 0 H THR A 17 4.982 8.351 -2.385 1.00 0.00 H new ATOM 0 HA THR A 17 3.742 5.814 -3.222 1.00 0.00 H new ATOM 0 HB THR A 17 5.948 4.967 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.683 7.475 -2.641 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.631 6.213 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.870 5.966 -5.639 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.565 7.555 -5.238 1.00 0.00 H new ATOM 235 N CYS A 18 5.051 4.725 -1.172 1.00 0.00 N ATOM 236 CA CYS A 18 5.461 4.108 0.071 1.00 0.00 C ATOM 237 C CYS A 18 6.425 2.996 -0.347 1.00 0.00 C ATOM 238 O CYS A 18 6.428 2.634 -1.523 1.00 0.00 O ATOM 239 CB CYS A 18 4.246 3.492 0.760 1.00 0.00 C ATOM 240 SG CYS A 18 3.892 1.845 0.117 1.00 0.00 S ATOM 0 H CYS A 18 4.908 4.033 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 18 5.915 4.820 0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.425 3.435 1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.378 4.135 0.615 1.00 0.00 H new ATOM 245 N CYS A 19 7.187 2.397 0.566 1.00 0.00 N ATOM 246 CA CYS A 19 8.088 1.300 0.211 1.00 0.00 C ATOM 247 C CYS A 19 7.562 -0.005 0.801 1.00 0.00 C ATOM 248 O CYS A 19 7.948 -0.395 1.900 1.00 0.00 O ATOM 249 CB CYS A 19 9.517 1.651 0.605 1.00 0.00 C ATOM 250 SG CYS A 19 10.103 3.068 -0.357 1.00 0.00 S ATOM 0 H CYS A 19 7.199 2.651 1.554 1.00 0.00 H new ATOM 0 HA CYS A 19 8.115 1.148 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.562 1.882 1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.169 0.794 0.437 1.00 0.00 H new ATOM 255 N ALA A 20 6.655 -0.666 0.072 1.00 0.00 N ATOM 256 CA ALA A 20 6.021 -1.914 0.504 1.00 0.00 C ATOM 257 C ALA A 20 6.843 -3.087 -0.004 1.00 0.00 C ATOM 258 O ALA A 20 7.717 -2.898 -0.840 1.00 0.00 O ATOM 259 CB ALA A 20 4.581 -2.021 -0.008 1.00 0.00 C ATOM 0 H ALA A 20 6.339 -0.345 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 20 5.983 -1.926 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.143 -2.959 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.995 -1.186 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.579 -1.994 -1.098 1.00 0.00 H new ATOM 265 N VAL A 21 6.574 -4.293 0.492 1.00 0.00 N ATOM 266 CA VAL A 21 7.302 -5.496 0.104 1.00 0.00 C ATOM 267 C VAL A 21 7.273 -5.692 -1.427 1.00 0.00 C ATOM 268 O VAL A 21 6.468 -5.071 -2.117 1.00 0.00 O ATOM 269 CB VAL A 21 6.708 -6.700 0.869 1.00 0.00 C ATOM 270 CG1 VAL A 21 7.531 -7.976 0.668 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.637 -6.430 2.376 1.00 0.00 C ATOM 0 H VAL A 21 5.839 -4.462 1.179 1.00 0.00 H new ATOM 0 HA VAL A 21 8.354 -5.401 0.373 1.00 0.00 H new ATOM 0 HB VAL A 21 5.707 -6.840 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.075 -8.795 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.558 -8.228 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.547 -7.814 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.214 -7.298 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.639 -6.239 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.007 -5.560 2.560 1.00 0.00 H new ATOM 281 N SER A 22 8.160 -6.527 -1.981 1.00 0.00 N ATOM 282 CA SER A 22 8.146 -6.900 -3.397 1.00 0.00 C ATOM 283 C SER A 22 7.247 -8.129 -3.598 1.00 0.00 C ATOM 284 O SER A 22 7.327 -9.098 -2.842 1.00 0.00 O ATOM 285 CB SER A 22 9.579 -7.164 -3.890 1.00 0.00 C ATOM 286 OG SER A 22 9.614 -8.065 -4.991 1.00 0.00 O ATOM 0 H SER A 22 8.914 -6.966 -1.452 1.00 0.00 H new ATOM 0 HA SER A 22 7.739 -6.079 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.040 -6.220 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.173 -7.571 -3.072 1.00 0.00 H new ATOM 0 HG SER A 22 9.204 -7.641 -5.774 1.00 0.00 H new ATOM 292 N LEU A 23 6.356 -8.099 -4.599 1.00 0.00 N ATOM 293 CA LEU A 23 5.520 -9.242 -4.967 1.00 0.00 C ATOM 294 C LEU A 23 6.380 -10.368 -5.555 1.00 0.00 C ATOM 295 O LEU A 23 5.923 -11.505 -5.636 1.00 0.00 O ATOM 296 CB LEU A 23 4.531 -8.820 -6.072 1.00 0.00 C ATOM 297 CG LEU A 23 3.150 -8.276 -5.684 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.272 -9.392 -5.121 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.104 -7.116 -4.696 1.00 0.00 C ATOM 0 H LEU A 23 6.197 -7.274 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 23 5.002 -9.581 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.023 -8.059 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.372 -9.685 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 23 2.785 -7.875 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.297 -8.987 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.146 -10.171 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.746 -9.816 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.067 -6.835 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.569 -7.419 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.644 -6.264 -5.110 1.00 0.00 H new ATOM 311 N TRP A 24 7.616 -10.063 -5.959 1.00 0.00 N ATOM 312 CA TRP A 24 8.444 -10.949 -6.763 1.00 0.00 C ATOM 313 C TRP A 24 9.429 -11.706 -5.882 1.00 0.00 C ATOM 314 O TRP A 24 9.613 -12.908 -6.053 1.00 0.00 O ATOM 315 CB TRP A 24 9.112 -10.090 -7.850 1.00 0.00 C ATOM 316 CG TRP A 24 8.220 -8.981 -8.345 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.443 -7.660 -8.156 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.848 -9.079 -8.837 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.306 -6.944 -8.470 1.00 0.00 N ATOM 320 CE2 TRP A 24 6.297 -7.768 -8.907 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.970 -10.148 -9.117 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.954 -7.532 -9.235 1.00 0.00 C ATOM 323 CZ3 TRP A 24 4.630 -9.924 -9.480 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.114 -8.619 -9.507 1.00 0.00 C ATOM 0 H TRP A 24 8.071 -9.179 -5.730 1.00 0.00 H new ATOM 0 HA TRP A 24 7.853 -11.723 -7.253 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.032 -9.661 -7.454 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.393 -10.727 -8.689 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.372 -7.230 -7.811 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.225 -5.931 -8.388 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.336 -11.162 -9.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.572 -6.523 -9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.996 -10.759 -9.739 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.072 -8.454 -9.737 1.00 0.00 H new ATOM 335 N ILE A 25 10.039 -11.015 -4.919 1.00 0.00 N ATOM 336 CA ILE A 25 10.905 -11.623 -3.935 1.00 0.00 C ATOM 337 C ILE A 25 10.811 -10.765 -2.674 1.00 0.00 C ATOM 338 O ILE A 25 11.370 -9.673 -2.588 1.00 0.00 O ATOM 339 CB ILE A 25 12.317 -11.865 -4.496 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.061 -12.752 -3.493 1.00 0.00 C ATOM 341 CG2 ILE A 25 13.096 -10.592 -4.836 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.407 -13.251 -4.025 1.00 0.00 C ATOM 0 H ILE A 25 9.938 -10.006 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 25 10.591 -12.631 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 25 12.224 -12.362 -5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.225 -12.192 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.436 -13.608 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.079 -10.860 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.551 -10.022 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.214 -9.986 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.888 -13.874 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.246 -13.836 -4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.047 -12.398 -4.253 1.00 0.00 H new ATOM 354 N LYS A 26 10.076 -11.280 -1.687 1.00 0.00 N ATOM 355 CA LYS A 26 9.722 -10.601 -0.450 1.00 0.00 C ATOM 356 C LYS A 26 10.926 -10.157 0.396 1.00 0.00 C ATOM 357 O LYS A 26 10.744 -9.485 1.407 1.00 0.00 O ATOM 358 CB LYS A 26 8.757 -11.494 0.349 1.00 0.00 C ATOM 359 CG LYS A 26 7.339 -11.615 -0.246 1.00 0.00 C ATOM 360 CD LYS A 26 7.245 -12.310 -1.614 1.00 0.00 C ATOM 361 CE LYS A 26 5.781 -12.584 -1.976 1.00 0.00 C ATOM 362 NZ LYS A 26 5.662 -13.214 -3.303 1.00 0.00 N ATOM 0 H LYS A 26 9.696 -12.225 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 26 9.230 -9.667 -0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.189 -12.492 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.677 -11.101 1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.714 -12.160 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.917 -10.614 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.704 -11.684 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.802 -13.247 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.334 -13.233 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.221 -11.649 -1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.726 -13.658 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.775 -12.491 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.401 -13.938 -3.411 1.00 0.00 H new ATOM 376 N SER A 27 12.152 -10.519 0.008 1.00 0.00 N ATOM 377 CA SER A 27 13.360 -10.096 0.688 1.00 0.00 C ATOM 378 C SER A 27 13.516 -8.574 0.604 1.00 0.00 C ATOM 379 O SER A 27 14.055 -7.960 1.521 1.00 0.00 O ATOM 380 CB SER A 27 14.548 -10.806 0.031 1.00 0.00 C ATOM 381 OG SER A 27 14.569 -10.545 -1.360 1.00 0.00 O ATOM 0 H SER A 27 12.326 -11.121 -0.797 1.00 0.00 H new ATOM 0 HA SER A 27 13.311 -10.360 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.479 -10.467 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.480 -11.880 0.205 1.00 0.00 H new ATOM 0 HG SER A 27 15.334 -11.003 -1.767 1.00 0.00 H new ATOM 387 N VAL A 28 13.087 -7.981 -0.517 1.00 0.00 N ATOM 388 CA VAL A 28 13.179 -6.549 -0.768 1.00 0.00 C ATOM 389 C VAL A 28 11.805 -5.891 -0.717 1.00 0.00 C ATOM 390 O VAL A 28 10.771 -6.546 -0.871 1.00 0.00 O ATOM 391 CB VAL A 28 13.838 -6.268 -2.135 1.00 0.00 C ATOM 392 CG1 VAL A 28 15.365 -6.247 -2.003 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.435 -7.250 -3.231 1.00 0.00 C ATOM 0 H VAL A 28 12.659 -8.498 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 28 13.801 -6.122 0.019 1.00 0.00 H new ATOM 0 HB VAL A 28 13.470 -5.289 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.812 -6.047 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.659 -5.466 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.712 -7.213 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.940 -6.985 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.721 -8.260 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.356 -7.207 -3.379 1.00 0.00 H new ATOM 403 N ARG A 29 11.823 -4.571 -0.517 1.00 0.00 N ATOM 404 CA ARG A 29 10.664 -3.707 -0.585 1.00 0.00 C ATOM 405 C ARG A 29 10.901 -2.767 -1.769 1.00 0.00 C ATOM 406 O ARG A 29 12.053 -2.533 -2.135 1.00 0.00 O ATOM 407 CB ARG A 29 10.458 -2.966 0.748 1.00 0.00 C ATOM 408 CG ARG A 29 10.619 -3.867 1.976 1.00 0.00 C ATOM 409 CD ARG A 29 10.104 -3.150 3.234 1.00 0.00 C ATOM 410 NE ARG A 29 9.185 -4.013 3.984 1.00 0.00 N ATOM 411 CZ ARG A 29 9.543 -5.101 4.679 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.831 -5.402 4.880 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.587 -5.894 5.169 1.00 0.00 N ATOM 0 H ARG A 29 12.681 -4.066 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 29 9.742 -4.267 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.172 -2.145 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.462 -2.524 0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.069 -4.797 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.668 -4.134 2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.945 -2.868 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.596 -2.228 2.951 1.00 0.00 H new ATOM 0 HE ARG A 29 8.196 -3.765 3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.561 -4.798 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.083 -6.235 5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.605 -5.667 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.838 -6.727 5.701 1.00 0.00 H new ATOM 427 N VAL A 30 9.841 -2.275 -2.412 1.00 0.00 N ATOM 428 CA VAL A 30 9.904 -1.434 -3.595 1.00 0.00 C ATOM 429 C VAL A 30 8.922 -0.260 -3.462 1.00 0.00 C ATOM 430 O VAL A 30 7.875 -0.373 -2.808 1.00 0.00 O ATOM 431 CB VAL A 30 9.604 -2.272 -4.853 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.650 -3.369 -5.093 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.212 -2.917 -4.812 1.00 0.00 C ATOM 0 H VAL A 30 8.885 -2.461 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 30 10.909 -1.023 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 30 9.641 -1.561 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.390 -3.929 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.632 -2.914 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.671 -4.045 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.052 -3.496 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.141 -3.575 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.452 -2.139 -4.739 1.00 0.00 H new ATOM 443 N CYS A 31 9.271 0.872 -4.085 1.00 0.00 N ATOM 444 CA CYS A 31 8.450 2.077 -4.087 1.00 0.00 C ATOM 445 C CYS A 31 7.129 1.801 -4.802 1.00 0.00 C ATOM 446 O CYS A 31 7.054 1.817 -6.028 1.00 0.00 O ATOM 447 CB CYS A 31 9.176 3.275 -4.706 1.00 0.00 C ATOM 448 SG CYS A 31 10.634 3.803 -3.783 1.00 0.00 S ATOM 0 H CYS A 31 10.142 0.973 -4.606 1.00 0.00 H new ATOM 0 HA CYS A 31 8.245 2.345 -3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.474 3.021 -5.723 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.481 4.111 -4.777 1.00 0.00 H new ATOM 453 N THR A 32 6.086 1.565 -4.014 1.00 0.00 N ATOM 454 CA THR A 32 4.731 1.264 -4.437 1.00 0.00 C ATOM 455 C THR A 32 3.936 2.567 -4.334 1.00 0.00 C ATOM 456 O THR A 32 4.118 3.299 -3.361 1.00 0.00 O ATOM 457 CB THR A 32 4.185 0.207 -3.464 1.00 0.00 C ATOM 458 OG1 THR A 32 5.076 -0.895 -3.415 1.00 0.00 O ATOM 459 CG2 THR A 32 2.781 -0.309 -3.798 1.00 0.00 C ATOM 0 H THR A 32 6.174 1.581 -2.998 1.00 0.00 H new ATOM 0 HA THR A 32 4.670 0.882 -5.456 1.00 0.00 H new ATOM 0 HB THR A 32 4.105 0.710 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.938 -0.603 -3.051 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.480 -1.050 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.076 0.522 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.787 -0.766 -4.787 1.00 0.00 H new ATOM 467 N PRO A 33 3.088 2.910 -5.313 1.00 0.00 N ATOM 468 CA PRO A 33 2.294 4.125 -5.243 1.00 0.00 C ATOM 469 C PRO A 33 1.300 4.029 -4.085 1.00 0.00 C ATOM 470 O PRO A 33 0.928 2.925 -3.684 1.00 0.00 O ATOM 471 CB PRO A 33 1.584 4.224 -6.597 1.00 0.00 C ATOM 472 CG PRO A 33 1.480 2.766 -7.049 1.00 0.00 C ATOM 473 CD PRO A 33 2.763 2.140 -6.501 1.00 0.00 C ATOM 0 HA PRO A 33 2.898 5.013 -5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.602 4.687 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.153 4.825 -7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.591 2.281 -6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.423 2.684 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.615 1.088 -6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.568 2.189 -7.234 1.00 0.00 H new ATOM 481 N VAL A 34 0.879 5.170 -3.526 1.00 0.00 N ATOM 482 CA VAL A 34 -0.176 5.148 -2.511 1.00 0.00 C ATOM 483 C VAL A 34 -1.405 4.441 -3.105 1.00 0.00 C ATOM 484 O VAL A 34 -1.632 4.486 -4.317 1.00 0.00 O ATOM 485 CB VAL A 34 -0.557 6.563 -2.034 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.332 7.043 -0.887 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.531 7.599 -3.160 1.00 0.00 C ATOM 0 H VAL A 34 1.242 6.096 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 34 0.194 4.611 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.583 6.475 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.026 8.045 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.234 6.362 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.371 7.065 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.808 8.575 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.472 7.651 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.238 7.310 -3.937 1.00 0.00 H new ATOM 497 N GLY A 35 -2.204 3.794 -2.254 1.00 0.00 N ATOM 498 CA GLY A 35 -3.360 3.026 -2.684 1.00 0.00 C ATOM 499 C GLY A 35 -4.355 3.905 -3.444 1.00 0.00 C ATOM 500 O GLY A 35 -5.163 4.614 -2.849 1.00 0.00 O ATOM 0 H GLY A 35 -2.061 3.792 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.037 2.203 -3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.850 2.584 -1.816 1.00 0.00 H new ATOM 504 N THR A 36 -4.296 3.854 -4.770 1.00 0.00 N ATOM 505 CA THR A 36 -5.128 4.646 -5.661 1.00 0.00 C ATOM 506 C THR A 36 -6.291 3.763 -6.123 1.00 0.00 C ATOM 507 O THR A 36 -6.254 2.552 -5.917 1.00 0.00 O ATOM 508 CB THR A 36 -4.232 5.143 -6.808 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.130 5.841 -6.256 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.946 6.100 -7.768 1.00 0.00 C ATOM 0 H THR A 36 -3.648 3.242 -5.267 1.00 0.00 H new ATOM 0 HA THR A 36 -5.563 5.524 -5.183 1.00 0.00 H new ATOM 0 HB THR A 36 -3.931 4.261 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.591 5.227 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.256 6.411 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.801 5.594 -8.217 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.290 6.977 -7.219 1.00 0.00 H new ATOM 518 N SER A 37 -7.334 4.363 -6.702 1.00 0.00 N ATOM 519 CA SER A 37 -8.541 3.713 -7.187 1.00 0.00 C ATOM 520 C SER A 37 -8.295 2.312 -7.766 1.00 0.00 C ATOM 521 O SER A 37 -7.789 2.202 -8.880 1.00 0.00 O ATOM 522 CB SER A 37 -9.151 4.636 -8.250 1.00 0.00 C ATOM 523 OG SER A 37 -9.015 5.986 -7.838 1.00 0.00 O ATOM 0 H SER A 37 -7.354 5.372 -6.850 1.00 0.00 H new ATOM 0 HA SER A 37 -9.217 3.557 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.653 4.485 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.204 4.394 -8.397 1.00 0.00 H new ATOM 0 HG SER A 37 -9.403 6.576 -8.518 1.00 0.00 H new ATOM 529 N GLY A 38 -8.653 1.252 -7.031 1.00 0.00 N ATOM 530 CA GLY A 38 -8.504 -0.123 -7.498 1.00 0.00 C ATOM 531 C GLY A 38 -7.420 -0.908 -6.759 1.00 0.00 C ATOM 532 O GLY A 38 -7.483 -2.135 -6.719 1.00 0.00 O ATOM 0 H GLY A 38 -9.054 1.328 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.456 -0.641 -7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.271 -0.113 -8.563 1.00 0.00 H new ATOM 536 N GLU A 39 -6.423 -0.237 -6.178 1.00 0.00 N ATOM 537 CA GLU A 39 -5.363 -0.918 -5.449 1.00 0.00 C ATOM 538 C GLU A 39 -5.931 -1.614 -4.209 1.00 0.00 C ATOM 539 O GLU A 39 -6.834 -1.089 -3.554 1.00 0.00 O ATOM 540 CB GLU A 39 -4.269 0.079 -5.041 1.00 0.00 C ATOM 541 CG GLU A 39 -3.530 0.690 -6.244 1.00 0.00 C ATOM 542 CD GLU A 39 -2.813 -0.353 -7.098 1.00 0.00 C ATOM 543 OE1 GLU A 39 -2.265 -1.305 -6.501 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.820 -0.173 -8.335 1.00 0.00 O ATOM 0 H GLU A 39 -6.332 0.779 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.923 -1.672 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.717 0.880 -4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.548 -0.425 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.244 1.231 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.803 1.419 -5.885 1.00 0.00 H new ATOM 551 N ASP A 40 -5.403 -2.800 -3.894 1.00 0.00 N ATOM 552 CA ASP A 40 -5.793 -3.544 -2.704 1.00 0.00 C ATOM 553 C ASP A 40 -5.176 -2.860 -1.482 1.00 0.00 C ATOM 554 O ASP A 40 -4.115 -2.245 -1.598 1.00 0.00 O ATOM 555 CB ASP A 40 -5.319 -4.999 -2.812 1.00 0.00 C ATOM 556 CG ASP A 40 -5.964 -5.878 -1.743 1.00 0.00 C ATOM 557 OD1 ASP A 40 -5.382 -5.952 -0.640 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.021 -6.469 -2.055 1.00 0.00 O ATOM 0 H ASP A 40 -4.694 -3.267 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.879 -3.554 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.561 -5.389 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.234 -5.038 -2.711 1.00 0.00 H new ATOM 563 N CYS A 41 -5.819 -2.959 -0.319 1.00 0.00 N ATOM 564 CA CYS A 41 -5.333 -2.364 0.918 1.00 0.00 C ATOM 565 C CYS A 41 -5.558 -3.270 2.099 1.00 0.00 C ATOM 566 O CYS A 41 -6.421 -4.143 2.109 1.00 0.00 O ATOM 567 CB CYS A 41 -6.013 -1.031 1.230 1.00 0.00 C ATOM 568 SG CYS A 41 -7.804 -1.036 0.979 1.00 0.00 S ATOM 0 H CYS A 41 -6.701 -3.460 -0.212 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.267 -2.205 0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.803 -0.762 2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.572 -0.255 0.604 1.00 0.00 H new ATOM 573 N HIS A 42 -4.766 -2.970 3.119 1.00 0.00 N ATOM 574 CA HIS A 42 -4.820 -3.602 4.424 1.00 0.00 C ATOM 575 C HIS A 42 -5.440 -2.562 5.352 1.00 0.00 C ATOM 576 O HIS A 42 -4.976 -1.420 5.339 1.00 0.00 O ATOM 577 CB HIS A 42 -3.405 -3.990 4.868 1.00 0.00 C ATOM 578 CG HIS A 42 -3.368 -4.862 6.090 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.975 -4.493 7.289 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.807 -6.100 6.236 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.770 -5.535 8.103 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.072 -6.522 7.521 1.00 0.00 N ATOM 0 H HIS A 42 -4.043 -2.253 3.055 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.408 -4.520 4.426 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.907 -4.508 4.049 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.835 -3.082 5.064 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.258 -6.646 5.484 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.128 -5.577 9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.793 -7.407 7.945 1.00 0.00 H new ATOM 590 N PRO A 43 -6.470 -2.885 6.146 1.00 0.00 N ATOM 591 CA PRO A 43 -7.078 -1.899 7.026 1.00 0.00 C ATOM 592 C PRO A 43 -6.049 -1.280 7.983 1.00 0.00 C ATOM 593 O PRO A 43 -6.230 -0.142 8.408 1.00 0.00 O ATOM 594 CB PRO A 43 -8.199 -2.636 7.765 1.00 0.00 C ATOM 595 CG PRO A 43 -7.793 -4.109 7.679 1.00 0.00 C ATOM 596 CD PRO A 43 -7.068 -4.197 6.336 1.00 0.00 C ATOM 0 HA PRO A 43 -7.477 -1.053 6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.280 -2.304 8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.168 -2.461 7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.144 -4.396 8.506 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.661 -4.768 7.711 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.309 -4.979 6.348 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.760 -4.436 5.529 1.00 0.00 H new ATOM 604 N ALA A 44 -4.968 -2.003 8.306 1.00 0.00 N ATOM 605 CA ALA A 44 -3.907 -1.523 9.179 1.00 0.00 C ATOM 606 C ALA A 44 -2.685 -1.027 8.393 1.00 0.00 C ATOM 607 O ALA A 44 -1.599 -0.970 8.966 1.00 0.00 O ATOM 608 CB ALA A 44 -3.510 -2.645 10.145 1.00 0.00 C ATOM 0 H ALA A 44 -4.811 -2.949 7.960 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.285 -0.667 9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.715 -2.294 10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.375 -2.934 10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.157 -3.506 9.577 1.00 0.00 H new ATOM 614 N SER A 45 -2.827 -0.678 7.104 1.00 0.00 N ATOM 615 CA SER A 45 -1.723 -0.157 6.311 1.00 0.00 C ATOM 616 C SER A 45 -1.057 1.011 7.045 1.00 0.00 C ATOM 617 O SER A 45 -1.689 2.047 7.241 1.00 0.00 O ATOM 618 CB SER A 45 -2.245 0.342 4.964 1.00 0.00 C ATOM 619 OG SER A 45 -2.647 -0.720 4.123 1.00 0.00 O ATOM 0 H SER A 45 -3.707 -0.752 6.594 1.00 0.00 H new ATOM 0 HA SER A 45 -0.997 -0.955 6.155 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.088 1.013 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.468 0.923 4.467 1.00 0.00 H new ATOM 0 HG SER A 45 -3.480 -1.109 4.462 1.00 0.00 H new ATOM 625 N HIS A 46 0.216 0.861 7.423 1.00 0.00 N ATOM 626 CA HIS A 46 0.920 1.880 8.194 1.00 0.00 C ATOM 627 C HIS A 46 0.902 3.221 7.475 1.00 0.00 C ATOM 628 O HIS A 46 1.133 3.274 6.264 1.00 0.00 O ATOM 629 CB HIS A 46 2.374 1.484 8.465 1.00 0.00 C ATOM 630 CG HIS A 46 2.556 0.023 8.733 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.832 -0.867 7.696 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.327 -0.671 9.885 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.796 -2.068 8.278 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.501 -2.008 9.588 1.00 0.00 N ATOM 0 H HIS A 46 0.779 0.039 7.205 1.00 0.00 H new ATOM 0 HA HIS A 46 0.395 1.968 9.145 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.985 1.767 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.743 2.051 9.320 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.061 -0.254 10.845 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.984 -2.992 7.751 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.422 -2.794 10.234 1.00 0.00 H new ATOM 642 N LYS A 47 0.681 4.300 8.225 1.00 0.00 N ATOM 643 CA LYS A 47 0.678 5.643 7.663 1.00 0.00 C ATOM 644 C LYS A 47 2.044 5.972 7.049 1.00 0.00 C ATOM 645 O LYS A 47 3.004 5.219 7.206 1.00 0.00 O ATOM 646 CB LYS A 47 0.272 6.666 8.733 1.00 0.00 C ATOM 647 CG LYS A 47 -1.148 6.435 9.272 1.00 0.00 C ATOM 648 CD LYS A 47 -2.183 6.405 8.140 1.00 0.00 C ATOM 649 CE LYS A 47 -3.604 6.537 8.696 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.608 6.436 7.623 1.00 0.00 N ATOM 0 H LYS A 47 0.501 4.266 9.228 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.059 5.692 6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.981 6.620 9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.337 7.669 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.181 5.494 9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.403 7.225 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.985 7.216 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.091 5.473 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.781 5.758 9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.710 7.494 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.561 6.529 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.452 7.195 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.521 5.513 7.152 1.00 0.00 H new ATOM 664 N ILE A 48 2.116 7.066 6.293 1.00 0.00 N ATOM 665 CA ILE A 48 3.339 7.528 5.645 1.00 0.00 C ATOM 666 C ILE A 48 3.821 8.746 6.442 1.00 0.00 C ATOM 667 O ILE A 48 2.987 9.575 6.804 1.00 0.00 O ATOM 668 CB ILE A 48 3.037 7.862 4.168 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.669 6.569 3.415 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.224 8.541 3.465 1.00 0.00 C ATOM 671 CD1 ILE A 48 2.151 6.820 1.998 1.00 0.00 C ATOM 0 H ILE A 48 1.311 7.666 6.111 1.00 0.00 H new ATOM 0 HA ILE A 48 4.123 6.771 5.637 1.00 0.00 H new ATOM 0 HB ILE A 48 2.203 8.564 4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.546 5.924 3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.910 6.030 3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.960 8.755 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.466 9.472 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.089 7.878 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.911 5.868 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.255 7.440 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.917 7.331 1.416 1.00 0.00 H new ATOM 683 N PRO A 49 5.126 8.893 6.726 1.00 0.00 N ATOM 684 CA PRO A 49 6.217 8.005 6.355 1.00 0.00 C ATOM 685 C PRO A 49 6.401 6.924 7.424 1.00 0.00 C ATOM 686 O PRO A 49 6.456 7.238 8.611 1.00 0.00 O ATOM 687 CB PRO A 49 7.439 8.921 6.300 1.00 0.00 C ATOM 688 CG PRO A 49 7.166 9.956 7.395 1.00 0.00 C ATOM 689 CD PRO A 49 5.637 10.043 7.455 1.00 0.00 C ATOM 0 HA PRO A 49 6.042 7.487 5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.361 8.371 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.544 9.391 5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.585 9.644 8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.611 10.921 7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.289 10.033 8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.284 10.973 7.009 1.00 0.00 H new ATOM 697 N PHE A 50 6.535 5.659 7.020 1.00 0.00 N ATOM 698 CA PHE A 50 6.750 4.573 7.966 1.00 0.00 C ATOM 699 C PHE A 50 8.238 4.246 8.007 1.00 0.00 C ATOM 700 O PHE A 50 8.718 3.396 7.258 1.00 0.00 O ATOM 701 CB PHE A 50 5.915 3.345 7.596 1.00 0.00 C ATOM 702 CG PHE A 50 5.904 2.273 8.670 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.278 2.535 9.904 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.517 1.025 8.452 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.219 1.540 10.894 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.432 0.021 9.433 1.00 0.00 C ATOM 707 CZ PHE A 50 5.783 0.277 10.652 1.00 0.00 C ATOM 0 H PHE A 50 6.498 5.366 6.044 1.00 0.00 H new ATOM 0 HA PHE A 50 6.425 4.884 8.959 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.890 3.659 7.397 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.303 2.917 6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.841 3.505 10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.052 0.839 7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.740 1.746 11.840 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.867 -0.950 9.248 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.718 -0.497 11.403 1.00 0.00 H new ATOM 717 N SER A 51 8.973 4.935 8.884 1.00 0.00 N ATOM 718 CA SER A 51 10.397 4.731 9.095 1.00 0.00 C ATOM 719 C SER A 51 10.643 3.412 9.839 1.00 0.00 C ATOM 720 O SER A 51 11.135 3.406 10.965 1.00 0.00 O ATOM 721 CB SER A 51 10.952 5.935 9.864 1.00 0.00 C ATOM 722 OG SER A 51 10.496 7.131 9.260 1.00 0.00 O ATOM 0 H SER A 51 8.580 5.665 9.477 1.00 0.00 H new ATOM 0 HA SER A 51 10.916 4.656 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.631 5.895 10.905 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.042 5.908 9.866 1.00 0.00 H new ATOM 0 HG SER A 51 10.849 7.901 9.752 1.00 0.00 H new ATOM 728 N GLY A 52 10.291 2.300 9.197 1.00 0.00 N ATOM 729 CA GLY A 52 10.423 0.947 9.700 1.00 0.00 C ATOM 730 C GLY A 52 10.405 0.017 8.493 1.00 0.00 C ATOM 731 O GLY A 52 10.905 0.391 7.432 1.00 0.00 O ATOM 0 H GLY A 52 9.885 2.327 8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.351 0.833 10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.607 0.708 10.382 1.00 0.00 H new ATOM 735 N GLN A 53 9.832 -1.181 8.631 1.00 0.00 N ATOM 736 CA GLN A 53 9.717 -2.157 7.554 1.00 0.00 C ATOM 737 C GLN A 53 8.245 -2.531 7.396 1.00 0.00 C ATOM 738 O GLN A 53 7.647 -3.122 8.294 1.00 0.00 O ATOM 739 CB GLN A 53 10.602 -3.374 7.855 1.00 0.00 C ATOM 740 CG GLN A 53 12.104 -3.074 7.712 1.00 0.00 C ATOM 741 CD GLN A 53 12.499 -2.688 6.286 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.828 -3.545 5.470 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.446 -1.400 5.966 1.00 0.00 N ATOM 0 H GLN A 53 9.429 -1.502 9.511 1.00 0.00 H new ATOM 0 HA GLN A 53 10.067 -1.739 6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.401 -3.721 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.334 -4.187 7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.374 -2.265 8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.675 -3.950 8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.169 -0.712 6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.682 -1.099 5.020 1.00 0.00 H new ATOM 752 N ARG A 54 7.645 -2.132 6.273 1.00 0.00 N ATOM 753 CA ARG A 54 6.246 -2.389 5.982 1.00 0.00 C ATOM 754 C ARG A 54 6.008 -3.887 5.815 1.00 0.00 C ATOM 755 O ARG A 54 6.216 -4.436 4.737 1.00 0.00 O ATOM 756 CB ARG A 54 5.824 -1.628 4.721 1.00 0.00 C ATOM 757 CG ARG A 54 5.776 -0.121 4.990 1.00 0.00 C ATOM 758 CD ARG A 54 5.257 0.622 3.756 1.00 0.00 C ATOM 759 NE ARG A 54 4.992 2.034 4.055 1.00 0.00 N ATOM 760 CZ ARG A 54 3.901 2.487 4.689 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.924 1.639 5.019 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.797 3.773 5.013 1.00 0.00 N ATOM 0 H ARG A 54 8.127 -1.617 5.537 1.00 0.00 H new ATOM 0 HA ARG A 54 5.639 -2.038 6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.525 -1.836 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.845 -1.975 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.130 0.083 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.771 0.241 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.989 0.550 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.343 0.146 3.400 1.00 0.00 H new ATOM 0 HE ARG A 54 5.687 2.719 3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.009 0.649 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.093 1.981 5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.550 4.420 4.779 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.964 4.112 5.495 1.00 0.00 H new ATOM 776 N MET A 55 5.587 -4.551 6.891 1.00 0.00 N ATOM 777 CA MET A 55 5.262 -5.970 6.882 1.00 0.00 C ATOM 778 C MET A 55 4.128 -6.291 5.895 1.00 0.00 C ATOM 779 O MET A 55 4.126 -7.355 5.281 1.00 0.00 O ATOM 780 CB MET A 55 4.934 -6.444 8.309 1.00 0.00 C ATOM 781 CG MET A 55 3.796 -5.659 8.980 1.00 0.00 C ATOM 782 SD MET A 55 3.317 -6.200 10.640 1.00 0.00 S ATOM 783 CE MET A 55 2.644 -7.837 10.278 1.00 0.00 C ATOM 0 H MET A 55 5.462 -4.110 7.802 1.00 0.00 H new ATOM 0 HA MET A 55 6.136 -6.520 6.532 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.665 -7.500 8.278 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.830 -6.362 8.924 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.089 -4.610 9.033 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.918 -5.712 8.336 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.130 -8.222 11.159 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.940 -7.766 9.449 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.456 -8.512 10.007 1.00 0.00 H new ATOM 793 N HIS A 56 3.149 -5.391 5.759 1.00 0.00 N ATOM 794 CA HIS A 56 2.008 -5.597 4.875 1.00 0.00 C ATOM 795 C HIS A 56 2.431 -5.448 3.414 1.00 0.00 C ATOM 796 O HIS A 56 3.253 -4.595 3.085 1.00 0.00 O ATOM 797 CB HIS A 56 0.878 -4.614 5.215 1.00 0.00 C ATOM 798 CG HIS A 56 0.417 -4.675 6.648 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.118 -3.516 7.359 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.255 -5.755 7.476 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.219 -3.937 8.580 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.141 -5.271 8.706 1.00 0.00 N ATOM 0 H HIS A 56 3.129 -4.502 6.259 1.00 0.00 H new ATOM 0 HA HIS A 56 1.635 -6.610 5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.215 -3.601 4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.028 -4.815 4.563 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.409 -6.792 7.215 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.521 -3.276 9.379 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.336 -5.818 9.544 1.00 0.00 H new ATOM 810 N HIS A 57 1.832 -6.250 2.528 1.00 0.00 N ATOM 811 CA HIS A 57 2.136 -6.231 1.101 1.00 0.00 C ATOM 812 C HIS A 57 1.251 -5.237 0.335 1.00 0.00 C ATOM 813 O HIS A 57 1.001 -5.398 -0.857 1.00 0.00 O ATOM 814 CB HIS A 57 2.037 -7.651 0.531 1.00 0.00 C ATOM 815 CG HIS A 57 3.081 -7.865 -0.524 1.00 0.00 C ATOM 816 ND1 HIS A 57 3.538 -6.812 -1.301 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.832 -8.971 -0.805 1.00 0.00 C ATOM 818 CE1 HIS A 57 4.562 -7.314 -1.977 1.00 0.00 C ATOM 819 NE2 HIS A 57 4.807 -8.598 -1.698 1.00 0.00 N ATOM 0 H HIS A 57 1.119 -6.933 2.786 1.00 0.00 H new ATOM 0 HA HIS A 57 3.160 -5.879 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.164 -8.380 1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.045 -7.812 0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.686 -9.961 -0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.142 -6.741 -2.685 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.559 -9.178 -2.070 1.00 0.00 H new ATOM 827 N THR A 58 0.703 -4.240 1.031 1.00 0.00 N ATOM 828 CA THR A 58 -0.128 -3.197 0.457 1.00 0.00 C ATOM 829 C THR A 58 0.225 -1.893 1.165 1.00 0.00 C ATOM 830 O THR A 58 0.978 -1.921 2.139 1.00 0.00 O ATOM 831 CB THR A 58 -1.612 -3.554 0.616 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.961 -3.651 1.983 1.00 0.00 O ATOM 833 CG2 THR A 58 -1.951 -4.888 -0.058 1.00 0.00 C ATOM 0 H THR A 58 0.833 -4.139 2.038 1.00 0.00 H new ATOM 0 HA THR A 58 0.053 -3.090 -0.613 1.00 0.00 H new ATOM 0 HB THR A 58 -2.177 -2.754 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.255 -2.775 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.011 -5.105 0.077 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.726 -4.825 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.357 -5.684 0.392 1.00 0.00 H new ATOM 841 N CYS A 59 -0.345 -0.767 0.724 1.00 0.00 N ATOM 842 CA CYS A 59 -0.091 0.527 1.344 1.00 0.00 C ATOM 843 C CYS A 59 -1.369 1.326 1.539 1.00 0.00 C ATOM 844 O CYS A 59 -2.403 0.953 0.986 1.00 0.00 O ATOM 845 CB CYS A 59 0.983 1.264 0.550 1.00 0.00 C ATOM 846 SG CYS A 59 2.529 1.122 1.454 1.00 0.00 S ATOM 0 H CYS A 59 -0.989 -0.732 -0.066 1.00 0.00 H new ATOM 0 HA CYS A 59 0.293 0.378 2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.083 0.835 -0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.711 2.312 0.421 1.00 0.00 H new ATOM 851 N PRO A 60 -1.320 2.397 2.352 1.00 0.00 N ATOM 852 CA PRO A 60 -2.513 3.137 2.697 1.00 0.00 C ATOM 853 C PRO A 60 -3.085 3.834 1.470 1.00 0.00 C ATOM 854 O PRO A 60 -2.364 4.186 0.533 1.00 0.00 O ATOM 855 CB PRO A 60 -2.115 4.103 3.813 1.00 0.00 C ATOM 856 CG PRO A 60 -0.628 4.329 3.565 1.00 0.00 C ATOM 857 CD PRO A 60 -0.144 3.007 2.967 1.00 0.00 C ATOM 0 HA PRO A 60 -3.313 2.486 3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.678 5.035 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.298 3.676 4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.460 5.161 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.101 4.565 4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.641 3.175 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.276 2.359 3.737 1.00 0.00 H new ATOM 865 N CYS A 61 -4.406 4.002 1.484 1.00 0.00 N ATOM 866 CA CYS A 61 -5.133 4.608 0.391 1.00 0.00 C ATOM 867 C CYS A 61 -4.766 6.090 0.274 1.00 0.00 C ATOM 868 O CYS A 61 -4.607 6.771 1.286 1.00 0.00 O ATOM 869 CB CYS A 61 -6.635 4.380 0.579 1.00 0.00 C ATOM 870 SG CYS A 61 -7.215 2.666 0.618 1.00 0.00 S ATOM 0 H CYS A 61 -4.998 3.716 2.264 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.853 4.138 -0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.935 4.859 1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.158 4.895 -0.227 1.00 0.00 H new ATOM 875 N ALA A 62 -4.592 6.584 -0.956 1.00 0.00 N ATOM 876 CA ALA A 62 -4.221 7.965 -1.221 1.00 0.00 C ATOM 877 C ALA A 62 -5.226 8.940 -0.583 1.00 0.00 C ATOM 878 O ALA A 62 -6.408 8.606 -0.519 1.00 0.00 O ATOM 879 CB ALA A 62 -4.130 8.182 -2.732 1.00 0.00 C ATOM 0 H ALA A 62 -4.708 6.024 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.248 8.165 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.852 9.216 -2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.376 7.515 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.097 7.970 -3.189 1.00 0.00 H new ATOM 885 N PRO A 63 -4.789 10.134 -0.134 1.00 0.00 N ATOM 886 CA PRO A 63 -5.608 11.159 0.523 1.00 0.00 C ATOM 887 C PRO A 63 -6.951 11.522 -0.128 1.00 0.00 C ATOM 888 O PRO A 63 -7.099 12.572 -0.747 1.00 0.00 O ATOM 889 CB PRO A 63 -4.701 12.381 0.666 1.00 0.00 C ATOM 890 CG PRO A 63 -3.364 11.705 0.915 1.00 0.00 C ATOM 891 CD PRO A 63 -3.390 10.541 -0.070 1.00 0.00 C ATOM 0 HA PRO A 63 -5.947 10.747 1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.693 12.998 -0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.000 13.025 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.528 12.378 0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.269 11.362 1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.022 10.845 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.756 9.722 0.269 1.00 0.00 H new ATOM 899 N ASN A 64 -7.929 10.650 0.093 1.00 0.00 N ATOM 900 CA ASN A 64 -9.337 10.703 -0.314 1.00 0.00 C ATOM 901 C ASN A 64 -9.897 9.286 -0.347 1.00 0.00 C ATOM 902 O ASN A 64 -10.974 9.022 0.176 1.00 0.00 O ATOM 903 CB ASN A 64 -9.560 11.349 -1.694 1.00 0.00 C ATOM 904 CG ASN A 64 -10.951 11.020 -2.240 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.114 10.122 -3.064 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.956 11.733 -1.757 1.00 0.00 N ATOM 0 H ASN A 64 -7.739 9.796 0.617 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.849 11.328 0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.443 12.430 -1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.800 10.996 -2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.909 11.546 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.777 12.469 -1.074 1.00 0.00 H new ATOM 913 N LEU A 65 -9.160 8.385 -0.992 1.00 0.00 N ATOM 914 CA LEU A 65 -9.574 7.011 -1.183 1.00 0.00 C ATOM 915 C LEU A 65 -9.765 6.341 0.184 1.00 0.00 C ATOM 916 O LEU A 65 -8.968 6.555 1.096 1.00 0.00 O ATOM 917 CB LEU A 65 -8.503 6.262 -1.984 1.00 0.00 C ATOM 918 CG LEU A 65 -8.270 6.606 -3.463 1.00 0.00 C ATOM 919 CD1 LEU A 65 -9.433 6.159 -4.343 1.00 0.00 C ATOM 920 CD2 LEU A 65 -7.957 8.082 -3.721 1.00 0.00 C ATOM 0 H LEU A 65 -8.249 8.598 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.516 6.985 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.554 6.400 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.743 5.200 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.377 6.043 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.226 6.422 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.558 5.079 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.347 6.656 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.806 8.241 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.789 8.696 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.052 8.362 -3.181 1.00 0.00 H new ATOM 932 N ALA A 66 -10.808 5.521 0.320 1.00 0.00 N ATOM 933 CA ALA A 66 -11.136 4.774 1.523 1.00 0.00 C ATOM 934 C ALA A 66 -10.908 3.286 1.262 1.00 0.00 C ATOM 935 O ALA A 66 -11.233 2.791 0.179 1.00 0.00 O ATOM 936 CB ALA A 66 -12.597 5.032 1.897 1.00 0.00 C ATOM 0 H ALA A 66 -11.470 5.356 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.501 5.093 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.846 4.473 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.744 6.097 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.244 4.710 1.081 1.00 0.00 H new ATOM 942 N CYS A 67 -10.359 2.576 2.255 1.00 0.00 N ATOM 943 CA CYS A 67 -10.116 1.142 2.164 1.00 0.00 C ATOM 944 C CYS A 67 -11.432 0.412 2.430 1.00 0.00 C ATOM 945 O CYS A 67 -11.737 0.071 3.574 1.00 0.00 O ATOM 946 CB CYS A 67 -9.031 0.698 3.157 1.00 0.00 C ATOM 947 SG CYS A 67 -8.598 -1.033 2.904 1.00 0.00 S ATOM 0 H CYS A 67 -10.072 2.986 3.144 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.752 0.896 1.166 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.144 1.320 3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.385 0.843 4.178 1.00 0.00 H new ATOM 952 N VAL A 68 -12.230 0.204 1.380 1.00 0.00 N ATOM 953 CA VAL A 68 -13.558 -0.382 1.486 1.00 0.00 C ATOM 954 C VAL A 68 -13.557 -1.862 1.127 1.00 0.00 C ATOM 955 O VAL A 68 -12.766 -2.353 0.324 1.00 0.00 O ATOM 956 CB VAL A 68 -14.581 0.440 0.685 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.192 0.602 -0.788 1.00 0.00 C ATOM 958 CG2 VAL A 68 -16.007 -0.121 0.778 1.00 0.00 C ATOM 0 H VAL A 68 -11.965 0.442 0.424 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.870 -0.339 2.530 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.569 1.423 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.952 1.191 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.230 1.111 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.117 -0.380 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.682 0.503 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.024 -1.139 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.329 -0.125 1.819 1.00 0.00 H new ATOM 968 N GLN A 69 -14.476 -2.569 1.770 1.00 0.00 N ATOM 969 CA GLN A 69 -14.652 -3.999 1.712 1.00 0.00 C ATOM 970 C GLN A 69 -15.511 -4.336 0.497 1.00 0.00 C ATOM 971 O GLN A 69 -16.672 -3.937 0.447 1.00 0.00 O ATOM 972 CB GLN A 69 -15.341 -4.432 3.017 1.00 0.00 C ATOM 973 CG GLN A 69 -14.508 -4.150 4.279 1.00 0.00 C ATOM 974 CD GLN A 69 -14.174 -2.674 4.491 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.069 -1.840 4.571 1.00 0.00 O ATOM 976 NE2 GLN A 69 -12.892 -2.327 4.451 1.00 0.00 N ATOM 0 H GLN A 69 -15.158 -2.123 2.383 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.701 -4.522 1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.297 -3.916 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.558 -5.499 2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.052 -4.517 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.579 -4.717 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.171 -3.045 4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.629 -1.342 4.487 1.00 0.00 H new ATOM 985 N THR A 70 -14.958 -5.074 -0.467 1.00 0.00 N ATOM 986 CA THR A 70 -15.706 -5.500 -1.648 1.00 0.00 C ATOM 987 C THR A 70 -16.178 -6.941 -1.434 1.00 0.00 C ATOM 988 O THR A 70 -17.262 -7.322 -1.874 1.00 0.00 O ATOM 989 CB THR A 70 -14.870 -5.316 -2.923 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.694 -6.093 -2.903 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.479 -3.847 -3.118 1.00 0.00 C ATOM 0 H THR A 70 -13.988 -5.390 -0.451 1.00 0.00 H new ATOM 0 HA THR A 70 -16.588 -4.875 -1.787 1.00 0.00 H new ATOM 0 HB THR A 70 -15.498 -5.647 -3.750 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.238 -5.974 -2.044 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.888 -3.746 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.380 -3.239 -3.201 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.891 -3.511 -2.264 1.00 0.00 H new ATOM 999 N SER A 71 -15.376 -7.745 -0.733 1.00 0.00 N ATOM 1000 CA SER A 71 -15.681 -9.102 -0.304 1.00 0.00 C ATOM 1001 C SER A 71 -14.695 -9.407 0.831 1.00 0.00 C ATOM 1002 O SER A 71 -13.779 -8.607 1.041 1.00 0.00 O ATOM 1003 CB SER A 71 -15.520 -10.106 -1.459 1.00 0.00 C ATOM 1004 OG SER A 71 -15.991 -9.598 -2.692 1.00 0.00 O ATOM 0 H SER A 71 -14.447 -7.446 -0.436 1.00 0.00 H new ATOM 0 HA SER A 71 -16.716 -9.190 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.468 -10.373 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.060 -11.021 -1.217 1.00 0.00 H new ATOM 0 HG SER A 71 -15.865 -10.272 -3.393 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.843 -10.519 1.571 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.878 -10.898 2.592 1.00 0.00 C ATOM 1012 C PRO A 72 -12.478 -10.911 1.973 1.00 0.00 C ATOM 1013 O PRO A 72 -12.325 -11.364 0.838 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.313 -12.286 3.075 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.819 -12.280 2.811 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.923 -11.489 1.507 1.00 0.00 C ATOM 0 HA PRO A 72 -13.844 -10.204 3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.809 -13.082 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.088 -12.436 4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.217 -13.289 2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.371 -11.802 3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.818 -12.141 0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.892 -10.997 1.420 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.482 -10.355 2.671 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.100 -10.205 2.212 1.00 0.00 C ATOM 1026 C LYS A 73 -9.964 -9.126 1.125 1.00 0.00 C ATOM 1027 O LYS A 73 -9.022 -8.336 1.165 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.474 -11.540 1.766 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.632 -12.681 2.784 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.043 -12.383 4.173 1.00 0.00 C ATOM 1031 CE LYS A 73 -7.554 -12.008 4.151 1.00 0.00 C ATOM 1032 NZ LYS A 73 -6.732 -13.045 3.503 1.00 0.00 N ATOM 0 H LYS A 73 -11.624 -9.982 3.610 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.531 -9.866 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.928 -11.844 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.413 -11.384 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.692 -12.908 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.154 -13.576 2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.606 -11.568 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.178 -13.258 4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.426 -11.063 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.204 -11.854 5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.726 -12.792 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.898 -13.960 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.991 -13.115 2.498 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.893 -9.070 0.166 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.897 -8.095 -0.914 1.00 0.00 C ATOM 1048 C LYS A 74 -11.222 -6.692 -0.383 1.00 0.00 C ATOM 1049 O LYS A 74 -12.332 -6.176 -0.541 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.862 -8.524 -2.025 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.592 -9.941 -2.541 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.428 -10.171 -3.808 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.359 -11.625 -4.291 1.00 0.00 C ATOM 1054 NZ LYS A 74 -13.014 -12.550 -3.348 1.00 0.00 N ATOM 0 H LYS A 74 -11.679 -9.719 0.124 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.898 -8.052 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.884 -8.468 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.787 -7.821 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.532 -10.068 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.851 -10.676 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.466 -9.905 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.075 -9.510 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.835 -11.706 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.316 -11.916 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.127 -13.481 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.429 -12.646 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.949 -12.176 -3.087 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.218 -6.074 0.233 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.248 -4.722 0.763 1.00 0.00 C ATOM 1070 C PHE A 75 -9.565 -3.864 -0.301 1.00 0.00 C ATOM 1071 O PHE A 75 -8.393 -4.088 -0.601 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.481 -4.681 2.091 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.282 -5.038 3.332 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.023 -6.234 3.390 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.230 -4.202 4.464 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.695 -6.594 4.570 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.910 -4.557 5.641 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.622 -5.766 5.704 1.00 0.00 C ATOM 0 H PHE A 75 -9.318 -6.529 0.381 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.257 -4.365 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.634 -5.363 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.073 -3.679 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.075 -6.877 2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.664 -3.283 4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.269 -7.508 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.885 -3.900 6.498 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.112 -6.059 6.621 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.296 -2.913 -0.889 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.835 -2.109 -2.015 1.00 0.00 C ATOM 1090 C LYS A 76 -9.974 -0.612 -1.746 1.00 0.00 C ATOM 1091 O LYS A 76 -10.893 -0.168 -1.058 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.624 -2.513 -3.273 1.00 0.00 C ATOM 1093 CG LYS A 76 -9.831 -2.296 -4.566 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.582 -2.878 -5.773 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.830 -2.061 -6.124 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.453 -2.544 -7.368 1.00 0.00 N ATOM 0 H LYS A 76 -11.242 -2.679 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.773 -2.301 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.907 -3.563 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.548 -1.936 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.660 -1.230 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.852 -2.767 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.915 -2.908 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.871 -3.907 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.549 -2.122 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.561 -1.010 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.295 -1.972 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.773 -2.463 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.731 -3.540 -7.253 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.048 0.167 -2.306 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.040 1.616 -2.209 1.00 0.00 C ATOM 1112 C CYS A 77 -9.957 2.177 -3.291 1.00 0.00 C ATOM 1113 O CYS A 77 -9.642 2.044 -4.475 1.00 0.00 O ATOM 1114 CB CYS A 77 -7.616 2.150 -2.413 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.433 1.775 -1.097 1.00 0.00 S ATOM 0 H CYS A 77 -8.269 -0.205 -2.849 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.389 1.922 -1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.229 1.747 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.668 3.232 -2.530 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.091 2.781 -2.918 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.013 3.426 -3.821 1.00 0.00 C ATOM 1122 C LEU A 78 -12.315 4.827 -3.297 1.00 0.00 C ATOM 1123 O LEU A 78 -12.027 5.149 -2.148 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.292 2.608 -3.868 1.00 0.00 C ATOM 1125 CG LEU A 78 -13.208 1.325 -4.713 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.541 0.574 -4.621 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -12.923 1.636 -6.190 1.00 0.00 C ATOM 0 H LEU A 78 -11.390 2.828 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.586 3.498 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.571 2.338 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.092 3.234 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.390 0.720 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.488 -0.336 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.742 0.315 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.343 1.209 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.871 0.705 -6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.722 2.259 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.974 2.165 -6.274 1.00 0.00 H new ATOM 1139 N SER A 79 -12.895 5.656 -4.159 1.00 0.00 N ATOM 1140 CA SER A 79 -13.184 7.059 -3.893 1.00 0.00 C ATOM 1141 C SER A 79 -14.367 7.256 -2.945 1.00 0.00 C ATOM 1142 O SER A 79 -15.125 6.324 -2.680 1.00 0.00 O ATOM 1143 CB SER A 79 -13.430 7.767 -5.230 1.00 0.00 C ATOM 1144 OG SER A 79 -12.476 7.332 -6.184 1.00 0.00 O ATOM 0 H SER A 79 -13.186 5.360 -5.091 1.00 0.00 H new ATOM 0 HA SER A 79 -12.324 7.494 -3.385 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.438 7.553 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.361 8.847 -5.099 1.00 0.00 H new ATOM 0 HG SER A 79 -12.637 7.785 -7.038 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.520 8.491 -2.469 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.562 8.974 -1.586 1.00 0.00 C ATOM 1152 C LYS A 80 -15.419 10.500 -1.588 1.00 0.00 C ATOM 1153 O LYS A 80 -14.482 10.966 -2.283 1.00 0.00 O ATOM 1154 CB LYS A 80 -15.392 8.394 -0.174 1.00 0.00 C ATOM 1155 CG LYS A 80 -13.973 8.629 0.371 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.940 8.848 1.890 1.00 0.00 C ATOM 1157 CE LYS A 80 -14.111 10.327 2.272 1.00 0.00 C ATOM 1158 NZ LYS A 80 -15.414 10.885 1.863 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.189 11.161 -0.861 1.00 0.00 O ATOM 0 H LYS A 80 -13.863 9.232 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.554 8.668 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.120 8.851 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.602 7.325 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.347 7.773 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.539 9.497 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.731 8.261 2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.994 8.480 2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.000 10.432 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.313 10.909 1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.569 11.793 2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.420 11.034 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.172 10.222 2.122 1.00 0.00 H new