USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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 64 HIS : no HD1:sc= -0.0891 X(o=-1.2,f=-1.1) USER MOD Set 1.2: A 90 MET CE :methyl 179:sc= -1.08 (180deg=-1.11) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.862 K(o=-0.86,f=-4.3!) USER MOD Single : A 14 THR OG1 : rot 113:sc= 1.24 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 100:sc= 0.81 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -51:sc= 0.73 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00789 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.94 K(o=-1.9,f=-8.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.54) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 150:sc= -0.0341 (180deg=-0.739) USER MOD Single : A 79 HIS : no HD1:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -4.52! C(o=-4.5!,f=-2.4!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -109:sc= 1.28 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -4.17! C(o=-4.2!,f=-7.4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -5.613 12.773 2.513 1.00 0.00 N ATOM 91 CA VAL A 7 -5.992 11.877 1.433 1.00 0.00 C ATOM 92 C VAL A 7 -6.245 10.480 2.001 1.00 0.00 C ATOM 93 O VAL A 7 -7.089 9.742 1.493 1.00 0.00 O ATOM 94 CB VAL A 7 -4.921 11.893 0.340 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.150 10.765 -0.667 1.00 0.00 C ATOM 96 CG2 VAL A 7 -4.873 13.252 -0.360 1.00 0.00 C ATOM 0 HA VAL A 7 -6.919 12.211 0.967 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.954 11.727 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.376 10.799 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.110 9.805 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.128 10.887 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.104 13.237 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.841 13.461 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.640 14.029 0.369 1.00 0.00 H new ATOM 106 N ASP A 8 -5.500 10.157 3.049 1.00 0.00 N ATOM 107 CA ASP A 8 -5.634 8.861 3.691 1.00 0.00 C ATOM 108 C ASP A 8 -5.264 7.761 2.694 1.00 0.00 C ATOM 109 O ASP A 8 -5.671 7.808 1.534 1.00 0.00 O ATOM 110 CB ASP A 8 -7.074 8.619 4.150 1.00 0.00 C ATOM 111 CG ASP A 8 -7.243 7.514 5.194 1.00 0.00 C ATOM 112 OD1 ASP A 8 -6.843 7.762 6.352 1.00 0.00 O ATOM 113 OD2 ASP A 8 -7.768 6.446 4.811 1.00 0.00 O ATOM 0 H ASP A 8 -4.802 10.771 3.469 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.972 8.844 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.470 9.548 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.680 8.371 3.279 1.00 0.00 H new ATOM 118 N CYS A 9 -4.498 6.797 3.182 1.00 0.00 N ATOM 119 CA CYS A 9 -4.069 5.688 2.347 1.00 0.00 C ATOM 120 C CYS A 9 -4.424 4.383 3.064 1.00 0.00 C ATOM 121 O CYS A 9 -5.091 4.400 4.097 1.00 0.00 O ATOM 122 CB CYS A 9 -2.576 5.771 2.019 1.00 0.00 C ATOM 123 SG CYS A 9 -2.098 7.199 0.979 1.00 0.00 S ATOM 0 H CYS A 9 -4.163 6.761 4.145 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.587 5.729 1.389 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.015 5.815 2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.278 4.854 1.511 1.00 0.00 H new ATOM 128 N LYS A 10 -3.962 3.284 2.486 1.00 0.00 N ATOM 129 CA LYS A 10 -4.222 1.973 3.056 1.00 0.00 C ATOM 130 C LYS A 10 -5.720 1.674 2.973 1.00 0.00 C ATOM 131 O LYS A 10 -6.154 0.879 2.141 1.00 0.00 O ATOM 132 CB LYS A 10 -3.654 1.883 4.474 1.00 0.00 C ATOM 133 CG LYS A 10 -3.791 0.464 5.030 1.00 0.00 C ATOM 134 CD LYS A 10 -3.291 0.391 6.474 1.00 0.00 C ATOM 135 CE LYS A 10 -3.254 -1.057 6.969 1.00 0.00 C ATOM 136 NZ LYS A 10 -3.042 -1.099 8.433 1.00 0.00 N ATOM 0 H LYS A 10 -3.409 3.274 1.629 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.710 1.200 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.604 2.175 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.177 2.584 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.834 0.152 4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.224 -0.230 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.294 0.827 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.941 0.983 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.189 -1.558 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.455 -1.600 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.019 -2.089 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.139 -0.639 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.819 -0.599 8.911 1.00 0.00 H new ATOM 150 N GLY A 11 -6.471 2.327 3.849 1.00 0.00 N ATOM 151 CA GLY A 11 -7.911 2.142 3.885 1.00 0.00 C ATOM 152 C GLY A 11 -8.550 2.546 2.555 1.00 0.00 C ATOM 153 O GLY A 11 -9.481 1.893 2.085 1.00 0.00 O ATOM 0 H GLY A 11 -6.108 2.985 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.142 1.099 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.337 2.737 4.693 1.00 0.00 H new ATOM 157 N GLN A 12 -8.025 3.621 1.986 1.00 0.00 N ATOM 158 CA GLN A 12 -8.532 4.120 0.719 1.00 0.00 C ATOM 159 C GLN A 12 -8.214 3.134 -0.406 1.00 0.00 C ATOM 160 O GLN A 12 -8.888 3.121 -1.435 1.00 0.00 O ATOM 161 CB GLN A 12 -7.965 5.507 0.410 1.00 0.00 C ATOM 162 CG GLN A 12 -9.024 6.592 0.619 1.00 0.00 C ATOM 163 CD GLN A 12 -10.099 6.526 -0.468 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.729 5.506 -0.693 1.00 0.00 O ATOM 165 NE2 GLN A 12 -10.272 7.668 -1.128 1.00 0.00 N ATOM 0 H GLN A 12 -7.254 4.160 2.379 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.615 4.215 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.106 5.704 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.607 5.536 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.485 6.471 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.551 7.574 0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.711 8.485 -0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.966 7.726 -1.873 1.00 0.00 H new ATOM 174 N CYS A 13 -7.185 2.332 -0.173 1.00 0.00 N ATOM 175 CA CYS A 13 -6.769 1.345 -1.155 1.00 0.00 C ATOM 176 C CYS A 13 -7.395 0.000 -0.779 1.00 0.00 C ATOM 177 O CYS A 13 -6.683 -0.959 -0.484 1.00 0.00 O ATOM 178 CB CYS A 13 -5.245 1.256 -1.256 1.00 0.00 C ATOM 179 SG CYS A 13 -4.445 2.690 -2.065 1.00 0.00 S ATOM 0 H CYS A 13 -6.627 2.346 0.681 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.117 1.643 -2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.834 1.147 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.983 0.353 -1.807 1.00 0.00 H new ATOM 184 N THR A 14 -8.719 -0.027 -0.802 1.00 0.00 N ATOM 185 CA THR A 14 -9.449 -1.238 -0.467 1.00 0.00 C ATOM 186 C THR A 14 -9.783 -2.027 -1.735 1.00 0.00 C ATOM 187 O THR A 14 -9.626 -3.246 -1.771 1.00 0.00 O ATOM 188 CB THR A 14 -10.684 -0.837 0.343 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.187 -0.654 1.666 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.691 -1.981 0.479 1.00 0.00 C ATOM 0 H THR A 14 -9.306 0.770 -1.047 1.00 0.00 H new ATOM 0 HA THR A 14 -8.845 -1.908 0.145 1.00 0.00 H new ATOM 0 HB THR A 14 -11.167 0.018 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.250 0.293 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.548 -1.644 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.025 -2.291 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.218 -2.824 0.983 1.00 0.00 H new ATOM 198 N THR A 15 -10.238 -1.298 -2.744 1.00 0.00 N ATOM 199 CA THR A 15 -10.596 -1.914 -4.010 1.00 0.00 C ATOM 200 C THR A 15 -9.376 -2.590 -4.638 1.00 0.00 C ATOM 201 O THR A 15 -9.461 -3.726 -5.102 1.00 0.00 O ATOM 202 CB THR A 15 -11.219 -0.837 -4.900 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.621 -1.078 -4.808 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.902 -1.047 -6.382 1.00 0.00 C ATOM 0 H THR A 15 -10.367 -0.287 -2.710 1.00 0.00 H new ATOM 0 HA THR A 15 -11.331 -2.706 -3.870 1.00 0.00 H new ATOM 0 HB THR A 15 -10.861 0.144 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.102 -0.422 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.368 -0.256 -6.969 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.822 -1.022 -6.530 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.290 -2.014 -6.704 1.00 0.00 H new ATOM 212 N PRO A 16 -8.239 -1.844 -4.632 1.00 0.00 N ATOM 213 CA PRO A 16 -7.002 -2.360 -5.195 1.00 0.00 C ATOM 214 C PRO A 16 -6.368 -3.397 -4.267 1.00 0.00 C ATOM 215 O PRO A 16 -5.549 -4.206 -4.701 1.00 0.00 O ATOM 216 CB PRO A 16 -6.126 -1.136 -5.405 1.00 0.00 C ATOM 217 CG PRO A 16 -6.716 -0.044 -4.527 1.00 0.00 C ATOM 218 CD PRO A 16 -8.100 -0.495 -4.090 1.00 0.00 C ATOM 0 HA PRO A 16 -7.156 -2.890 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.092 -1.344 -5.128 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.121 -0.835 -6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.081 0.133 -3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.776 0.896 -5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.192 -0.493 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.873 0.169 -4.477 1.00 0.00 H new ATOM 226 N CYS A 17 -6.770 -3.341 -3.005 1.00 0.00 N ATOM 227 CA CYS A 17 -6.251 -4.266 -2.012 1.00 0.00 C ATOM 228 C CYS A 17 -7.412 -5.118 -1.496 1.00 0.00 C ATOM 229 O CYS A 17 -7.404 -5.553 -0.346 1.00 0.00 O ATOM 230 CB CYS A 17 -5.532 -3.533 -0.878 1.00 0.00 C ATOM 231 SG CYS A 17 -4.377 -2.222 -1.421 1.00 0.00 S ATOM 0 H CYS A 17 -7.449 -2.669 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.503 -4.913 -2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.279 -3.089 -0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.979 -4.262 -0.286 1.00 0.00 H new ATOM 236 N GLU A 18 -8.383 -5.330 -2.372 1.00 0.00 N ATOM 237 CA GLU A 18 -9.549 -6.123 -2.019 1.00 0.00 C ATOM 238 C GLU A 18 -9.186 -7.608 -1.972 1.00 0.00 C ATOM 239 O GLU A 18 -9.364 -8.262 -0.945 1.00 0.00 O ATOM 240 CB GLU A 18 -10.699 -5.870 -2.995 1.00 0.00 C ATOM 241 CG GLU A 18 -11.870 -5.177 -2.295 1.00 0.00 C ATOM 242 CD GLU A 18 -13.209 -5.699 -2.819 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.375 -6.938 -2.819 1.00 0.00 O ATOM 244 OE2 GLU A 18 -14.037 -4.847 -3.208 1.00 0.00 O ATOM 0 H GLU A 18 -8.387 -4.967 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.884 -5.820 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.349 -5.253 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.034 -6.816 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.806 -5.344 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.808 -4.100 -2.454 1.00 0.00 H new ATOM 251 N PRO A 19 -8.672 -8.112 -3.126 1.00 0.00 N ATOM 252 CA PRO A 19 -8.283 -9.508 -3.226 1.00 0.00 C ATOM 253 C PRO A 19 -6.968 -9.765 -2.487 1.00 0.00 C ATOM 254 O PRO A 19 -6.707 -10.884 -2.049 1.00 0.00 O ATOM 255 CB PRO A 19 -8.190 -9.785 -4.717 1.00 0.00 C ATOM 256 CG PRO A 19 -8.075 -8.425 -5.387 1.00 0.00 C ATOM 257 CD PRO A 19 -8.448 -7.367 -4.362 1.00 0.00 C ATOM 0 HA PRO A 19 -9.000 -10.179 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.325 -10.407 -4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.071 -10.321 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.060 -8.263 -5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.736 -8.368 -6.252 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.651 -6.633 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.342 -6.821 -4.663 1.00 0.00 H new ATOM 265 N LEU A 20 -6.175 -8.710 -2.371 1.00 0.00 N ATOM 266 CA LEU A 20 -4.894 -8.807 -1.693 1.00 0.00 C ATOM 267 C LEU A 20 -5.129 -9.001 -0.193 1.00 0.00 C ATOM 268 O LEU A 20 -4.607 -9.942 0.404 1.00 0.00 O ATOM 269 CB LEU A 20 -4.018 -7.598 -2.026 1.00 0.00 C ATOM 270 CG LEU A 20 -2.937 -7.249 -1.001 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.524 -6.443 0.160 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.213 -8.507 -0.517 1.00 0.00 C ATOM 0 H LEU A 20 -6.395 -7.783 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.342 -9.678 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.535 -7.778 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.665 -6.730 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.194 -6.618 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.736 -6.208 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.956 -5.518 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.299 -7.029 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.450 -8.230 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.930 -9.183 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.742 -9.005 -1.365 1.00 0.00 H new ATOM 284 N THR A 21 -5.914 -8.097 0.372 1.00 0.00 N ATOM 285 CA THR A 21 -6.225 -8.156 1.790 1.00 0.00 C ATOM 286 C THR A 21 -6.871 -9.499 2.138 1.00 0.00 C ATOM 287 O THR A 21 -6.439 -10.177 3.069 1.00 0.00 O ATOM 288 CB THR A 21 -7.103 -6.952 2.133 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.212 -5.842 2.066 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.573 -6.965 3.589 1.00 0.00 C ATOM 0 H THR A 21 -6.345 -7.318 -0.127 1.00 0.00 H new ATOM 0 HA THR A 21 -5.321 -8.099 2.396 1.00 0.00 H new ATOM 0 HB THR A 21 -7.970 -6.936 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.330 -5.379 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.193 -6.089 3.779 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.154 -7.868 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.707 -6.948 4.251 1.00 0.00 H new ATOM 298 N ALA A 22 -7.897 -9.842 1.373 1.00 0.00 N ATOM 299 CA ALA A 22 -8.607 -11.090 1.589 1.00 0.00 C ATOM 300 C ALA A 22 -7.598 -12.236 1.684 1.00 0.00 C ATOM 301 O ALA A 22 -7.763 -13.147 2.494 1.00 0.00 O ATOM 302 CB ALA A 22 -9.624 -11.301 0.464 1.00 0.00 C ATOM 0 H ALA A 22 -8.253 -9.277 0.602 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.160 -11.059 2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.157 -12.238 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.336 -10.475 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.105 -11.340 -0.493 1.00 0.00 H new ATOM 308 N CYS A 23 -6.576 -12.154 0.845 1.00 0.00 N ATOM 309 CA CYS A 23 -5.540 -13.173 0.825 1.00 0.00 C ATOM 310 C CYS A 23 -4.812 -13.145 2.170 1.00 0.00 C ATOM 311 O CYS A 23 -4.816 -14.133 2.903 1.00 0.00 O ATOM 312 CB CYS A 23 -4.578 -12.978 -0.349 1.00 0.00 C ATOM 313 SG CYS A 23 -3.837 -14.520 -0.998 1.00 0.00 S ATOM 0 H CYS A 23 -6.443 -11.398 0.174 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.993 -14.153 0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.111 -12.479 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.776 -12.310 -0.036 1.00 0.00 H new ATOM 318 N LYS A 24 -4.205 -12.002 2.455 1.00 0.00 N ATOM 319 CA LYS A 24 -3.475 -11.832 3.699 1.00 0.00 C ATOM 320 C LYS A 24 -4.355 -12.281 4.867 1.00 0.00 C ATOM 321 O LYS A 24 -3.905 -13.024 5.738 1.00 0.00 O ATOM 322 CB LYS A 24 -2.965 -10.396 3.830 1.00 0.00 C ATOM 323 CG LYS A 24 -1.438 -10.362 3.929 1.00 0.00 C ATOM 324 CD LYS A 24 -0.888 -9.015 3.458 1.00 0.00 C ATOM 325 CE LYS A 24 -0.361 -8.195 4.638 1.00 0.00 C ATOM 326 NZ LYS A 24 -1.340 -7.155 5.025 1.00 0.00 N ATOM 0 H LYS A 24 -4.204 -11.184 1.845 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.586 -12.463 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.290 -9.811 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.401 -9.931 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.133 -10.543 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.013 -11.164 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.087 -9.177 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.671 -8.458 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.165 -8.851 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.587 -7.729 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.967 -6.608 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.507 -6.519 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.235 -7.607 5.301 1.00 0.00 H new ATOM 340 N GLU A 25 -5.593 -11.811 4.848 1.00 0.00 N ATOM 341 CA GLU A 25 -6.540 -12.155 5.895 1.00 0.00 C ATOM 342 C GLU A 25 -6.668 -13.675 6.017 1.00 0.00 C ATOM 343 O GLU A 25 -6.248 -14.258 7.015 1.00 0.00 O ATOM 344 CB GLU A 25 -7.903 -11.509 5.636 1.00 0.00 C ATOM 345 CG GLU A 25 -8.262 -10.521 6.747 1.00 0.00 C ATOM 346 CD GLU A 25 -9.132 -11.187 7.814 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.086 -11.888 7.412 1.00 0.00 O ATOM 348 OE2 GLU A 25 -8.823 -10.982 9.008 1.00 0.00 O ATOM 0 H GLU A 25 -5.963 -11.195 4.124 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.164 -11.765 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.888 -10.993 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.669 -12.282 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.351 -10.136 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.791 -9.668 6.323 1.00 0.00 H new ATOM 355 N LYS A 26 -7.250 -14.272 4.988 1.00 0.00 N ATOM 356 CA LYS A 26 -7.438 -15.713 4.967 1.00 0.00 C ATOM 357 C LYS A 26 -6.199 -16.393 5.552 1.00 0.00 C ATOM 358 O LYS A 26 -6.315 -17.334 6.337 1.00 0.00 O ATOM 359 CB LYS A 26 -7.792 -16.187 3.556 1.00 0.00 C ATOM 360 CG LYS A 26 -8.600 -17.485 3.600 1.00 0.00 C ATOM 361 CD LYS A 26 -7.750 -18.676 3.153 1.00 0.00 C ATOM 362 CE LYS A 26 -8.606 -19.721 2.435 1.00 0.00 C ATOM 363 NZ LYS A 26 -7.761 -20.587 1.582 1.00 0.00 N ATOM 0 H LYS A 26 -7.598 -13.784 4.162 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.283 -15.996 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.365 -15.415 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.879 -16.342 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.967 -17.655 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.474 -17.395 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.956 -18.332 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.268 -19.129 4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.138 -20.329 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.360 -19.225 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.358 -21.290 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.273 -20.005 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.057 -21.075 2.172 1.00 0.00 H new ATOM 377 N CYS A 27 -5.042 -15.891 5.148 1.00 0.00 N ATOM 378 CA CYS A 27 -3.782 -16.439 5.623 1.00 0.00 C ATOM 379 C CYS A 27 -3.726 -16.267 7.142 1.00 0.00 C ATOM 380 O CYS A 27 -3.602 -17.246 7.877 1.00 0.00 O ATOM 381 CB CYS A 27 -2.584 -15.786 4.930 1.00 0.00 C ATOM 382 SG CYS A 27 -2.577 -15.937 3.106 1.00 0.00 S ATOM 0 H CYS A 27 -4.950 -15.111 4.497 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.727 -17.499 5.376 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.562 -14.728 5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.669 -16.231 5.321 1.00 0.00 H new ATOM 387 N ALA A 28 -3.819 -15.016 7.568 1.00 0.00 N ATOM 388 CA ALA A 28 -3.780 -14.704 8.987 1.00 0.00 C ATOM 389 C ALA A 28 -4.627 -15.722 9.752 1.00 0.00 C ATOM 390 O ALA A 28 -4.131 -16.396 10.654 1.00 0.00 O ATOM 391 CB ALA A 28 -4.255 -13.266 9.206 1.00 0.00 C ATOM 0 H ALA A 28 -3.921 -14.207 6.956 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.761 -14.772 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.226 -13.031 10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.602 -12.581 8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.276 -13.160 8.839 1.00 0.00 H new ATOM 397 N GLU A 29 -5.892 -15.802 9.365 1.00 0.00 N ATOM 398 CA GLU A 29 -6.813 -16.726 10.003 1.00 0.00 C ATOM 399 C GLU A 29 -6.231 -18.141 10.004 1.00 0.00 C ATOM 400 O GLU A 29 -6.087 -18.756 11.059 1.00 0.00 O ATOM 401 CB GLU A 29 -8.182 -16.697 9.319 1.00 0.00 C ATOM 402 CG GLU A 29 -9.015 -15.511 9.811 1.00 0.00 C ATOM 403 CD GLU A 29 -9.891 -15.912 10.999 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.538 -16.976 10.895 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.893 -15.144 11.986 1.00 0.00 O ATOM 0 H GLU A 29 -6.300 -15.241 8.617 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.953 -16.411 11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.052 -16.631 8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.713 -17.627 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.355 -14.694 10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.643 -15.141 9.000 1.00 0.00 H new ATOM 412 N SER A 30 -5.912 -18.615 8.808 1.00 0.00 N ATOM 413 CA SER A 30 -5.348 -19.946 8.658 1.00 0.00 C ATOM 414 C SER A 30 -4.045 -20.055 9.452 1.00 0.00 C ATOM 415 O SER A 30 -3.590 -21.157 9.756 1.00 0.00 O ATOM 416 CB SER A 30 -5.101 -20.276 7.184 1.00 0.00 C ATOM 417 OG SER A 30 -5.529 -21.594 6.853 1.00 0.00 O ATOM 0 H SER A 30 -6.033 -18.102 7.935 1.00 0.00 H new ATOM 0 HA SER A 30 -6.065 -20.668 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.628 -19.556 6.558 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.039 -20.174 6.963 1.00 0.00 H new ATOM 0 HG SER A 30 -5.356 -21.765 5.904 1.00 0.00 H new ATOM 423 N CYS A 31 -3.481 -18.898 9.764 1.00 0.00 N ATOM 424 CA CYS A 31 -2.239 -18.850 10.517 1.00 0.00 C ATOM 425 C CYS A 31 -2.518 -18.175 11.862 1.00 0.00 C ATOM 426 O CYS A 31 -1.892 -17.171 12.198 1.00 0.00 O ATOM 427 CB CYS A 31 -1.133 -18.135 9.738 1.00 0.00 C ATOM 428 SG CYS A 31 -0.527 -19.036 8.265 1.00 0.00 S ATOM 0 H CYS A 31 -3.861 -17.986 9.509 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.875 -19.863 10.689 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.502 -17.159 9.423 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.293 -17.957 10.409 1.00 0.00 H new ATOM 433 N GLU A 32 -3.458 -18.754 12.594 1.00 0.00 N ATOM 434 CA GLU A 32 -3.828 -18.220 13.894 1.00 0.00 C ATOM 435 C GLU A 32 -2.857 -18.718 14.967 1.00 0.00 C ATOM 436 O GLU A 32 -2.714 -19.923 15.168 1.00 0.00 O ATOM 437 CB GLU A 32 -5.271 -18.587 14.247 1.00 0.00 C ATOM 438 CG GLU A 32 -6.157 -17.341 14.294 1.00 0.00 C ATOM 439 CD GLU A 32 -7.524 -17.662 14.903 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.300 -18.362 14.217 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.761 -17.202 16.040 1.00 0.00 O ATOM 0 H GLU A 32 -3.974 -19.587 12.312 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.765 -17.133 13.851 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.662 -19.288 13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.296 -19.092 15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.667 -16.564 14.881 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.288 -16.945 13.287 1.00 0.00 H new ATOM 448 N THR A 33 -2.217 -17.766 15.629 1.00 0.00 N ATOM 449 CA THR A 33 -1.264 -18.092 16.676 1.00 0.00 C ATOM 450 C THR A 33 -0.387 -19.271 16.250 1.00 0.00 C ATOM 451 O THR A 33 0.041 -20.065 17.087 1.00 0.00 O ATOM 452 CB THR A 33 -2.048 -18.352 17.964 1.00 0.00 C ATOM 453 OG1 THR A 33 -1.043 -18.447 18.969 1.00 0.00 O ATOM 454 CG2 THR A 33 -2.717 -19.728 17.975 1.00 0.00 C ATOM 0 H THR A 33 -2.340 -16.768 15.460 1.00 0.00 H new ATOM 0 HA THR A 33 -0.577 -17.265 16.858 1.00 0.00 H new ATOM 0 HB THR A 33 -2.806 -17.579 18.089 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.359 -19.089 18.687 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.260 -19.861 18.911 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.412 -19.801 17.139 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.956 -20.503 17.883 1.00 0.00 H new ATOM 462 N SER A 34 -0.146 -19.349 14.950 1.00 0.00 N ATOM 463 CA SER A 34 0.672 -20.418 14.403 1.00 0.00 C ATOM 464 C SER A 34 2.154 -20.109 14.626 1.00 0.00 C ATOM 465 O SER A 34 2.564 -18.950 14.580 1.00 0.00 O ATOM 466 CB SER A 34 0.390 -20.620 12.913 1.00 0.00 C ATOM 467 OG SER A 34 -0.180 -21.899 12.647 1.00 0.00 O ATOM 0 H SER A 34 -0.503 -18.689 14.259 1.00 0.00 H new ATOM 0 HA SER A 34 0.418 -21.343 14.921 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.288 -19.841 12.563 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.317 -20.512 12.350 1.00 0.00 H new ATOM 0 HG SER A 34 -0.347 -21.989 11.686 1.00 0.00 H new ATOM 473 N ALA A 35 2.918 -21.166 14.861 1.00 0.00 N ATOM 474 CA ALA A 35 4.345 -21.022 15.091 1.00 0.00 C ATOM 475 C ALA A 35 4.950 -20.154 13.985 1.00 0.00 C ATOM 476 O ALA A 35 4.970 -20.551 12.821 1.00 0.00 O ATOM 477 CB ALA A 35 4.993 -22.406 15.165 1.00 0.00 C ATOM 0 H ALA A 35 2.575 -22.126 14.897 1.00 0.00 H new ATOM 0 HA ALA A 35 4.532 -20.523 16.042 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.064 -22.298 15.338 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.549 -22.972 15.984 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.829 -22.935 14.227 1.00 0.00 H new ATOM 483 N ASP A 36 5.428 -18.986 14.388 1.00 0.00 N ATOM 484 CA ASP A 36 6.032 -18.059 13.446 1.00 0.00 C ATOM 485 C ASP A 36 4.951 -17.513 12.511 1.00 0.00 C ATOM 486 O ASP A 36 5.042 -17.669 11.294 1.00 0.00 O ATOM 487 CB ASP A 36 7.091 -18.756 12.590 1.00 0.00 C ATOM 488 CG ASP A 36 8.067 -19.644 13.364 1.00 0.00 C ATOM 489 OD1 ASP A 36 8.139 -19.466 14.599 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.719 -20.481 12.703 1.00 0.00 O ATOM 0 H ASP A 36 5.409 -18.660 15.354 1.00 0.00 H new ATOM 0 HA ASP A 36 6.500 -17.256 14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.587 -19.365 11.839 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.661 -17.997 12.054 1.00 0.00 H new ATOM 495 N LYS A 37 3.954 -16.884 13.114 1.00 0.00 N ATOM 496 CA LYS A 37 2.857 -16.314 12.351 1.00 0.00 C ATOM 497 C LYS A 37 3.414 -15.626 11.103 1.00 0.00 C ATOM 498 O LYS A 37 3.005 -15.935 9.985 1.00 0.00 O ATOM 499 CB LYS A 37 2.010 -15.396 13.233 1.00 0.00 C ATOM 500 CG LYS A 37 0.581 -15.284 12.696 1.00 0.00 C ATOM 501 CD LYS A 37 -0.165 -14.126 13.361 1.00 0.00 C ATOM 502 CE LYS A 37 -0.749 -14.553 14.710 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.055 -13.896 14.941 1.00 0.00 N ATOM 0 H LYS A 37 3.883 -16.756 14.123 1.00 0.00 H new ATOM 0 HA LYS A 37 2.182 -17.099 12.009 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.990 -15.782 14.252 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.465 -14.406 13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.605 -15.134 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.047 -16.217 12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.514 -13.286 13.504 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.966 -13.781 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.871 -15.636 14.734 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.057 -14.292 15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.437 -14.197 15.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.929 -12.864 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.718 -14.165 14.186 1.00 0.00 H new ATOM 517 N LYS A 38 4.338 -14.706 11.336 1.00 0.00 N ATOM 518 CA LYS A 38 4.955 -13.971 10.245 1.00 0.00 C ATOM 519 C LYS A 38 5.275 -14.937 9.102 1.00 0.00 C ATOM 520 O LYS A 38 4.729 -14.810 8.007 1.00 0.00 O ATOM 521 CB LYS A 38 6.170 -13.187 10.746 1.00 0.00 C ATOM 522 CG LYS A 38 5.850 -11.695 10.861 1.00 0.00 C ATOM 523 CD LYS A 38 4.936 -11.421 12.057 1.00 0.00 C ATOM 524 CE LYS A 38 5.113 -9.989 12.566 1.00 0.00 C ATOM 525 NZ LYS A 38 4.549 -9.849 13.927 1.00 0.00 N ATOM 0 H LYS A 38 4.675 -14.453 12.265 1.00 0.00 H new ATOM 0 HA LYS A 38 4.265 -13.226 9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.480 -13.572 11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.007 -13.332 10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.775 -11.128 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.370 -11.351 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.897 -11.583 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.159 -12.126 12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.171 -9.729 12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.620 -9.292 11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.678 -8.871 14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.535 -10.077 13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.038 -10.500 14.574 1.00 0.00 H new ATOM 539 N THR A 39 6.158 -15.879 9.397 1.00 0.00 N ATOM 540 CA THR A 39 6.557 -16.866 8.407 1.00 0.00 C ATOM 541 C THR A 39 5.325 -17.522 7.781 1.00 0.00 C ATOM 542 O THR A 39 5.160 -17.504 6.562 1.00 0.00 O ATOM 543 CB THR A 39 7.496 -17.864 9.087 1.00 0.00 C ATOM 544 OG1 THR A 39 8.514 -17.048 9.661 1.00 0.00 O ATOM 545 CG2 THR A 39 8.245 -18.742 8.082 1.00 0.00 C ATOM 0 H THR A 39 6.608 -15.980 10.307 1.00 0.00 H new ATOM 0 HA THR A 39 7.095 -16.402 7.580 1.00 0.00 H new ATOM 0 HB THR A 39 6.923 -18.496 9.765 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.165 -17.615 10.124 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.897 -19.432 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.528 -19.308 7.488 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.844 -18.112 7.424 1.00 0.00 H new ATOM 553 N CYS A 40 4.490 -18.084 8.643 1.00 0.00 N ATOM 554 CA CYS A 40 3.278 -18.744 8.189 1.00 0.00 C ATOM 555 C CYS A 40 2.611 -17.853 7.139 1.00 0.00 C ATOM 556 O CYS A 40 2.480 -18.245 5.980 1.00 0.00 O ATOM 557 CB CYS A 40 2.335 -19.058 9.353 1.00 0.00 C ATOM 558 SG CYS A 40 0.973 -20.211 8.947 1.00 0.00 S ATOM 0 H CYS A 40 4.629 -18.096 9.653 1.00 0.00 H new ATOM 0 HA CYS A 40 3.530 -19.706 7.742 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.918 -19.481 10.171 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.906 -18.124 9.717 1.00 0.00 H new ATOM 563 N ARG A 41 2.205 -16.672 7.582 1.00 0.00 N ATOM 564 CA ARG A 41 1.555 -15.723 6.694 1.00 0.00 C ATOM 565 C ARG A 41 2.432 -15.453 5.471 1.00 0.00 C ATOM 566 O ARG A 41 1.952 -15.487 4.339 1.00 0.00 O ATOM 567 CB ARG A 41 1.273 -14.402 7.413 1.00 0.00 C ATOM 568 CG ARG A 41 -0.104 -14.424 8.080 1.00 0.00 C ATOM 569 CD ARG A 41 -0.244 -13.280 9.087 1.00 0.00 C ATOM 570 NE ARG A 41 -1.055 -12.188 8.503 1.00 0.00 N ATOM 571 CZ ARG A 41 -1.177 -10.970 9.047 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.542 -10.680 10.190 1.00 0.00 N ATOM 573 NH2 ARG A 41 -1.934 -10.041 8.447 1.00 0.00 N ATOM 0 H ARG A 41 2.314 -16.351 8.544 1.00 0.00 H new ATOM 0 HA ARG A 41 0.609 -16.161 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.042 -14.221 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.323 -13.578 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.881 -14.342 7.320 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.252 -15.378 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.714 -13.644 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.741 -12.905 9.363 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.552 -12.375 7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.035 -11.387 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.635 -9.752 10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.417 -10.261 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.027 -9.114 8.861 1.00 0.00 H new ATOM 587 N ARG A 42 3.703 -15.192 5.740 1.00 0.00 N ATOM 588 CA ARG A 42 4.652 -14.916 4.674 1.00 0.00 C ATOM 589 C ARG A 42 4.565 -15.995 3.593 1.00 0.00 C ATOM 590 O ARG A 42 4.463 -15.685 2.408 1.00 0.00 O ATOM 591 CB ARG A 42 6.083 -14.857 5.213 1.00 0.00 C ATOM 592 CG ARG A 42 6.651 -13.441 5.107 1.00 0.00 C ATOM 593 CD ARG A 42 6.426 -12.661 6.404 1.00 0.00 C ATOM 594 NE ARG A 42 6.325 -11.214 6.114 1.00 0.00 N ATOM 595 CZ ARG A 42 5.199 -10.603 5.721 1.00 0.00 C ATOM 596 NH1 ARG A 42 4.071 -11.311 5.569 1.00 0.00 N ATOM 597 NH2 ARG A 42 5.200 -9.285 5.480 1.00 0.00 N ATOM 0 H ARG A 42 4.098 -15.166 6.680 1.00 0.00 H new ATOM 0 HA ARG A 42 4.397 -13.947 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.097 -15.181 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.714 -15.549 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.718 -13.489 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.178 -12.917 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.515 -13.007 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.248 -12.845 7.096 1.00 0.00 H new ATOM 0 HE ARG A 42 7.165 -10.646 6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.070 -12.314 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.214 -10.846 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.058 -8.746 5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.343 -8.821 5.181 1.00 0.00 H new ATOM 611 N ASN A 43 4.609 -17.242 4.042 1.00 0.00 N ATOM 612 CA ASN A 43 4.536 -18.369 3.128 1.00 0.00 C ATOM 613 C ASN A 43 3.216 -18.311 2.358 1.00 0.00 C ATOM 614 O ASN A 43 3.193 -18.500 1.142 1.00 0.00 O ATOM 615 CB ASN A 43 4.584 -19.697 3.886 1.00 0.00 C ATOM 616 CG ASN A 43 5.930 -20.396 3.683 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.187 -21.021 2.667 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.771 -20.257 4.703 1.00 0.00 N ATOM 0 H ASN A 43 4.694 -17.496 5.026 1.00 0.00 H new ATOM 0 HA ASN A 43 5.388 -18.310 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.419 -19.519 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.778 -20.345 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.695 -20.687 4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.492 -19.720 5.524 1.00 0.00 H new ATOM 625 N CYS A 44 2.148 -18.049 3.096 1.00 0.00 N ATOM 626 CA CYS A 44 0.826 -17.964 2.498 1.00 0.00 C ATOM 627 C CYS A 44 0.829 -16.814 1.489 1.00 0.00 C ATOM 628 O CYS A 44 0.257 -16.933 0.406 1.00 0.00 O ATOM 629 CB CYS A 44 -0.264 -17.791 3.557 1.00 0.00 C ATOM 630 SG CYS A 44 -1.976 -17.933 2.927 1.00 0.00 S ATOM 0 H CYS A 44 2.171 -17.893 4.104 1.00 0.00 H new ATOM 0 HA CYS A 44 0.596 -18.897 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.116 -18.538 4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.144 -16.814 4.025 1.00 0.00 H new ATOM 635 N LYS A 45 1.479 -15.728 1.880 1.00 0.00 N ATOM 636 CA LYS A 45 1.563 -14.557 1.022 1.00 0.00 C ATOM 637 C LYS A 45 2.142 -14.965 -0.334 1.00 0.00 C ATOM 638 O LYS A 45 1.851 -14.337 -1.351 1.00 0.00 O ATOM 639 CB LYS A 45 2.347 -13.441 1.715 1.00 0.00 C ATOM 640 CG LYS A 45 1.690 -12.080 1.477 1.00 0.00 C ATOM 641 CD LYS A 45 2.612 -11.159 0.675 1.00 0.00 C ATOM 642 CE LYS A 45 3.535 -10.366 1.602 1.00 0.00 C ATOM 643 NZ LYS A 45 4.911 -10.330 1.056 1.00 0.00 N ATOM 0 H LYS A 45 1.952 -15.634 2.779 1.00 0.00 H new ATOM 0 HA LYS A 45 0.570 -14.149 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.401 -13.640 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.371 -13.425 1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.750 -12.215 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.449 -11.616 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.209 -11.751 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.014 -10.472 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.157 -9.350 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.542 -10.820 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.525 -9.788 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.275 -11.300 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.901 -9.876 0.120 1.00 0.00 H new ATOM 657 N LYS A 46 2.952 -16.013 -0.305 1.00 0.00 N ATOM 658 CA LYS A 46 3.574 -16.512 -1.520 1.00 0.00 C ATOM 659 C LYS A 46 2.622 -17.491 -2.211 1.00 0.00 C ATOM 660 O LYS A 46 2.716 -17.706 -3.418 1.00 0.00 O ATOM 661 CB LYS A 46 4.950 -17.106 -1.212 1.00 0.00 C ATOM 662 CG LYS A 46 5.616 -17.634 -2.484 1.00 0.00 C ATOM 663 CD LYS A 46 6.341 -16.511 -3.230 1.00 0.00 C ATOM 664 CE LYS A 46 7.734 -16.960 -3.676 1.00 0.00 C ATOM 665 NZ LYS A 46 8.765 -16.459 -2.740 1.00 0.00 N ATOM 0 H LYS A 46 3.192 -16.530 0.541 1.00 0.00 H new ATOM 0 HA LYS A 46 3.754 -15.695 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.584 -16.347 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.847 -17.915 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.324 -18.422 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.864 -18.081 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.756 -16.210 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.426 -15.637 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.774 -18.048 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.937 -16.591 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.704 -16.773 -3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.737 -15.420 -2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.579 -16.832 -1.787 1.00 0.00 H new ATOM 679 N ALA A 47 1.727 -18.058 -1.415 1.00 0.00 N ATOM 680 CA ALA A 47 0.759 -19.009 -1.934 1.00 0.00 C ATOM 681 C ALA A 47 0.147 -18.454 -3.222 1.00 0.00 C ATOM 682 O ALA A 47 0.241 -19.079 -4.277 1.00 0.00 O ATOM 683 CB ALA A 47 -0.295 -19.300 -0.865 1.00 0.00 C ATOM 0 H ALA A 47 1.652 -17.877 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 47 1.243 -19.955 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.021 -20.013 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.188 -19.719 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.804 -18.375 -0.595 1.00 0.00 H new ATOM 689 N ASP A 48 -0.467 -17.287 -3.093 1.00 0.00 N ATOM 690 CA ASP A 48 -1.094 -16.641 -4.233 1.00 0.00 C ATOM 691 C ASP A 48 -1.475 -15.208 -3.856 1.00 0.00 C ATOM 692 O ASP A 48 -2.569 -14.747 -4.179 1.00 0.00 O ATOM 693 CB ASP A 48 -2.371 -17.376 -4.648 1.00 0.00 C ATOM 694 CG ASP A 48 -2.815 -17.134 -6.092 1.00 0.00 C ATOM 695 OD1 ASP A 48 -1.916 -17.045 -6.955 1.00 0.00 O ATOM 696 OD2 ASP A 48 -4.045 -17.045 -6.300 1.00 0.00 O ATOM 0 H ASP A 48 -0.544 -16.772 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.385 -16.654 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.220 -18.446 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.179 -17.076 -3.980 1.00 0.00 H new ATOM 701 N CYS A 49 -0.551 -14.543 -3.178 1.00 0.00 N ATOM 702 CA CYS A 49 -0.776 -13.172 -2.754 1.00 0.00 C ATOM 703 C CYS A 49 0.453 -12.343 -3.136 1.00 0.00 C ATOM 704 O CYS A 49 0.685 -11.275 -2.571 1.00 0.00 O ATOM 705 CB CYS A 49 -1.080 -13.085 -1.257 1.00 0.00 C ATOM 706 SG CYS A 49 -1.911 -14.558 -0.557 1.00 0.00 S ATOM 0 H CYS A 49 0.355 -14.929 -2.912 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.655 -12.772 -3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.146 -12.922 -0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.707 -12.212 -1.078 1.00 0.00 H new ATOM 711 N GLU A 50 1.206 -12.867 -4.091 1.00 0.00 N ATOM 712 CA GLU A 50 2.405 -12.189 -4.555 1.00 0.00 C ATOM 713 C GLU A 50 2.035 -11.041 -5.496 1.00 0.00 C ATOM 714 O GLU A 50 2.502 -9.916 -5.322 1.00 0.00 O ATOM 715 CB GLU A 50 3.361 -13.170 -5.236 1.00 0.00 C ATOM 716 CG GLU A 50 4.531 -13.524 -4.316 1.00 0.00 C ATOM 717 CD GLU A 50 5.864 -13.424 -5.060 1.00 0.00 C ATOM 718 OE1 GLU A 50 6.070 -12.380 -5.717 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.646 -14.393 -4.956 1.00 0.00 O ATOM 0 H GLU A 50 1.010 -13.753 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 50 2.921 -11.772 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.822 -14.077 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.740 -12.732 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.539 -12.853 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.401 -14.535 -3.929 1.00 0.00 H new ATOM 726 N PRO A 51 1.178 -11.372 -6.498 1.00 0.00 N ATOM 727 CA PRO A 51 0.740 -10.382 -7.467 1.00 0.00 C ATOM 728 C PRO A 51 -0.291 -9.433 -6.853 1.00 0.00 C ATOM 729 O PRO A 51 -0.468 -8.312 -7.328 1.00 0.00 O ATOM 730 CB PRO A 51 0.186 -11.188 -8.631 1.00 0.00 C ATOM 731 CG PRO A 51 -0.093 -12.577 -8.080 1.00 0.00 C ATOM 732 CD PRO A 51 0.605 -12.694 -6.735 1.00 0.00 C ATOM 0 HA PRO A 51 1.550 -9.732 -7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.724 -10.733 -9.023 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.901 -11.230 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.166 -12.735 -7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.272 -13.341 -8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.097 -12.968 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.378 -13.463 -6.755 1.00 0.00 H new ATOM 740 N GLN A 52 -0.943 -9.916 -5.806 1.00 0.00 N ATOM 741 CA GLN A 52 -1.952 -9.124 -5.122 1.00 0.00 C ATOM 742 C GLN A 52 -1.287 -8.078 -4.225 1.00 0.00 C ATOM 743 O GLN A 52 -1.614 -6.895 -4.298 1.00 0.00 O ATOM 744 CB GLN A 52 -2.896 -10.018 -4.316 1.00 0.00 C ATOM 745 CG GLN A 52 -3.308 -11.250 -5.124 1.00 0.00 C ATOM 746 CD GLN A 52 -4.354 -12.075 -4.370 1.00 0.00 C ATOM 747 OE1 GLN A 52 -4.650 -11.840 -3.210 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.896 -13.051 -5.093 1.00 0.00 N ATOM 0 H GLN A 52 -0.793 -10.846 -5.414 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.549 -8.604 -5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.407 -10.331 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.783 -9.452 -4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.710 -10.939 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.432 -11.866 -5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.602 -13.193 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.605 -13.657 -4.681 1.00 0.00 H new ATOM 757 N ASP A 53 -0.366 -8.553 -3.400 1.00 0.00 N ATOM 758 CA ASP A 53 0.348 -7.673 -2.490 1.00 0.00 C ATOM 759 C ASP A 53 1.062 -6.585 -3.294 1.00 0.00 C ATOM 760 O ASP A 53 1.246 -5.470 -2.809 1.00 0.00 O ATOM 761 CB ASP A 53 1.404 -8.443 -1.695 1.00 0.00 C ATOM 762 CG ASP A 53 1.876 -7.756 -0.412 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.033 -7.619 0.501 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.069 -7.384 -0.373 1.00 0.00 O ATOM 0 H ASP A 53 -0.098 -9.535 -3.342 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.377 -7.240 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.001 -9.422 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.268 -8.613 -2.337 1.00 0.00 H new ATOM 769 N LYS A 54 1.445 -6.947 -4.509 1.00 0.00 N ATOM 770 CA LYS A 54 2.134 -6.015 -5.385 1.00 0.00 C ATOM 771 C LYS A 54 1.157 -4.928 -5.837 1.00 0.00 C ATOM 772 O LYS A 54 1.356 -3.750 -5.547 1.00 0.00 O ATOM 773 CB LYS A 54 2.802 -6.761 -6.542 1.00 0.00 C ATOM 774 CG LYS A 54 4.110 -7.416 -6.090 1.00 0.00 C ATOM 775 CD LYS A 54 4.890 -7.965 -7.286 1.00 0.00 C ATOM 776 CE LYS A 54 6.259 -7.294 -7.403 1.00 0.00 C ATOM 777 NZ LYS A 54 7.307 -8.299 -7.688 1.00 0.00 N ATOM 0 H LYS A 54 1.291 -7.873 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 54 2.941 -5.515 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.124 -7.522 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.002 -6.068 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.720 -6.687 -5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.894 -8.224 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.017 -9.042 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.321 -7.801 -8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.238 -6.547 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.493 -6.769 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.230 -7.826 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.338 -8.996 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.091 -8.782 -8.583 1.00 0.00 H new ATOM 791 N VAL A 55 0.122 -5.363 -6.541 1.00 0.00 N ATOM 792 CA VAL A 55 -0.886 -4.442 -7.036 1.00 0.00 C ATOM 793 C VAL A 55 -1.266 -3.462 -5.924 1.00 0.00 C ATOM 794 O VAL A 55 -1.301 -2.253 -6.144 1.00 0.00 O ATOM 795 CB VAL A 55 -2.085 -5.222 -7.581 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.318 -4.324 -7.693 1.00 0.00 C ATOM 797 CG2 VAL A 55 -1.753 -5.868 -8.927 1.00 0.00 C ATOM 0 H VAL A 55 -0.040 -6.341 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.492 -3.855 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.315 -6.020 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.155 -4.903 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.574 -3.933 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.104 -3.495 -8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.622 -6.416 -9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.484 -5.094 -9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.916 -6.555 -8.804 1.00 0.00 H new ATOM 807 N CYS A 56 -1.540 -4.021 -4.755 1.00 0.00 N ATOM 808 CA CYS A 56 -1.915 -3.212 -3.608 1.00 0.00 C ATOM 809 C CYS A 56 -0.785 -2.219 -3.330 1.00 0.00 C ATOM 810 O CYS A 56 -1.011 -1.011 -3.287 1.00 0.00 O ATOM 811 CB CYS A 56 -2.230 -4.075 -2.385 1.00 0.00 C ATOM 812 SG CYS A 56 -2.565 -3.138 -0.849 1.00 0.00 S ATOM 0 H CYS A 56 -1.510 -5.025 -4.577 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.831 -2.665 -3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.096 -4.697 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.391 -4.748 -2.207 1.00 0.00 H new ATOM 817 N ASP A 57 0.409 -2.766 -3.149 1.00 0.00 N ATOM 818 CA ASP A 57 1.575 -1.944 -2.876 1.00 0.00 C ATOM 819 C ASP A 57 1.527 -0.691 -3.752 1.00 0.00 C ATOM 820 O ASP A 57 1.682 0.424 -3.256 1.00 0.00 O ATOM 821 CB ASP A 57 2.867 -2.697 -3.198 1.00 0.00 C ATOM 822 CG ASP A 57 3.707 -3.091 -1.982 1.00 0.00 C ATOM 823 OD1 ASP A 57 3.167 -3.839 -1.138 1.00 0.00 O ATOM 824 OD2 ASP A 57 4.869 -2.636 -1.923 1.00 0.00 O ATOM 0 H ASP A 57 0.593 -3.769 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 57 1.564 -1.684 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.614 -3.600 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.476 -2.077 -3.856 1.00 0.00 H new ATOM 829 N ALA A 58 1.310 -0.916 -5.040 1.00 0.00 N ATOM 830 CA ALA A 58 1.240 0.181 -5.990 1.00 0.00 C ATOM 831 C ALA A 58 0.324 1.273 -5.434 1.00 0.00 C ATOM 832 O ALA A 58 0.771 2.389 -5.172 1.00 0.00 O ATOM 833 CB ALA A 58 0.762 -0.346 -7.344 1.00 0.00 C ATOM 0 H ALA A 58 1.180 -1.842 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 58 2.226 0.622 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.709 0.477 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.461 -1.098 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.226 -0.793 -7.232 1.00 0.00 H new ATOM 839 N CYS A 59 -0.940 0.914 -5.268 1.00 0.00 N ATOM 840 CA CYS A 59 -1.922 1.850 -4.748 1.00 0.00 C ATOM 841 C CYS A 59 -1.289 2.612 -3.583 1.00 0.00 C ATOM 842 O CYS A 59 -1.266 3.842 -3.580 1.00 0.00 O ATOM 843 CB CYS A 59 -3.213 1.142 -4.332 1.00 0.00 C ATOM 844 SG CYS A 59 -4.630 2.255 -4.011 1.00 0.00 S ATOM 0 H CYS A 59 -1.307 -0.013 -5.485 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.207 2.554 -5.530 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.493 0.437 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.017 0.558 -3.433 1.00 0.00 H new ATOM 849 N ARG A 60 -0.790 1.851 -2.620 1.00 0.00 N ATOM 850 CA ARG A 60 -0.158 2.440 -1.452 1.00 0.00 C ATOM 851 C ARG A 60 1.011 3.333 -1.874 1.00 0.00 C ATOM 852 O ARG A 60 1.252 4.374 -1.266 1.00 0.00 O ATOM 853 CB ARG A 60 0.355 1.358 -0.499 1.00 0.00 C ATOM 854 CG ARG A 60 -0.807 0.620 0.168 1.00 0.00 C ATOM 855 CD ARG A 60 -0.448 0.212 1.599 1.00 0.00 C ATOM 856 NE ARG A 60 -0.746 -1.223 1.806 1.00 0.00 N ATOM 857 CZ ARG A 60 -0.579 -1.864 2.971 1.00 0.00 C ATOM 858 NH1 ARG A 60 -0.115 -1.202 4.040 1.00 0.00 N ATOM 859 NH2 ARG A 60 -0.876 -3.167 3.067 1.00 0.00 N ATOM 0 H ARG A 60 -0.811 0.831 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.909 3.038 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.974 0.648 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.989 1.811 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.690 1.259 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.062 -0.266 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.609 0.403 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.012 0.815 2.310 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.100 -1.757 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.111 -0.210 3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.012 -1.690 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.229 -3.671 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.749 -3.655 3.954 1.00 0.00 H new ATOM 873 N MET A 61 1.705 2.893 -2.913 1.00 0.00 N ATOM 874 CA MET A 61 2.842 3.640 -3.424 1.00 0.00 C ATOM 875 C MET A 61 2.385 4.912 -4.141 1.00 0.00 C ATOM 876 O MET A 61 3.066 5.935 -4.092 1.00 0.00 O ATOM 877 CB MET A 61 3.634 2.763 -4.396 1.00 0.00 C ATOM 878 CG MET A 61 4.526 3.615 -5.301 1.00 0.00 C ATOM 879 SD MET A 61 6.134 2.857 -5.463 1.00 0.00 S ATOM 880 CE MET A 61 5.725 1.491 -6.538 1.00 0.00 C ATOM 0 H MET A 61 1.502 2.029 -3.415 1.00 0.00 H new ATOM 0 HA MET A 61 3.473 3.926 -2.582 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.247 2.056 -3.837 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.946 2.176 -5.005 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.065 3.722 -6.283 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.628 4.618 -4.885 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.623 0.908 -6.743 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.983 0.856 -6.054 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.319 1.874 -7.474 1.00 0.00 H new ATOM 890 N LYS A 62 1.235 4.806 -4.791 1.00 0.00 N ATOM 891 CA LYS A 62 0.679 5.935 -5.517 1.00 0.00 C ATOM 892 C LYS A 62 -0.017 6.877 -4.532 1.00 0.00 C ATOM 893 O LYS A 62 0.300 8.064 -4.473 1.00 0.00 O ATOM 894 CB LYS A 62 -0.228 5.450 -6.650 1.00 0.00 C ATOM 895 CG LYS A 62 0.325 5.869 -8.013 1.00 0.00 C ATOM 896 CD LYS A 62 1.271 4.804 -8.572 1.00 0.00 C ATOM 897 CE LYS A 62 2.330 5.433 -9.480 1.00 0.00 C ATOM 898 NZ LYS A 62 1.741 5.803 -10.786 1.00 0.00 N ATOM 0 H LYS A 62 0.673 3.955 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 62 1.473 6.506 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.319 4.365 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.230 5.859 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.498 6.031 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.854 6.817 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.757 4.277 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.700 4.063 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.750 6.317 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.151 4.732 -9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.474 6.228 -11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.362 4.953 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.973 6.489 -10.639 1.00 0.00 H new ATOM 912 N CYS A 63 -0.952 6.312 -3.783 1.00 0.00 N ATOM 913 CA CYS A 63 -1.696 7.086 -2.804 1.00 0.00 C ATOM 914 C CYS A 63 -0.717 8.015 -2.083 1.00 0.00 C ATOM 915 O CYS A 63 -0.961 9.216 -1.976 1.00 0.00 O ATOM 916 CB CYS A 63 -2.452 6.184 -1.826 1.00 0.00 C ATOM 917 SG CYS A 63 -3.479 7.073 -0.600 1.00 0.00 S ATOM 0 H CYS A 63 -1.212 5.327 -3.834 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.457 7.682 -3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.092 5.510 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.731 5.564 -1.294 1.00 0.00 H new ATOM 922 N HIS A 64 0.369 7.425 -1.607 1.00 0.00 N ATOM 923 CA HIS A 64 1.385 8.185 -0.900 1.00 0.00 C ATOM 924 C HIS A 64 1.720 9.452 -1.688 1.00 0.00 C ATOM 925 O HIS A 64 1.403 10.559 -1.256 1.00 0.00 O ATOM 926 CB HIS A 64 2.615 7.319 -0.619 1.00 0.00 C ATOM 927 CG HIS A 64 3.264 7.589 0.717 1.00 0.00 C ATOM 928 ND1 HIS A 64 4.617 7.847 0.854 1.00 0.00 N ATOM 929 CD2 HIS A 64 2.734 7.638 1.972 1.00 0.00 C ATOM 930 CE1 HIS A 64 4.878 8.042 2.138 1.00 0.00 C ATOM 931 NE2 HIS A 64 3.709 7.911 2.830 1.00 0.00 N ATOM 0 H HIS A 64 0.568 6.429 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 64 1.001 8.495 0.072 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.326 6.269 -0.665 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.349 7.482 -1.408 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.696 7.481 2.225 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.846 8.265 2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.602 8.007 3.840 1.00 0.00 H new ATOM 939 N LYS A 65 2.357 9.248 -2.832 1.00 0.00 N ATOM 940 CA LYS A 65 2.738 10.361 -3.686 1.00 0.00 C ATOM 941 C LYS A 65 1.505 11.217 -3.981 1.00 0.00 C ATOM 942 O LYS A 65 1.518 12.427 -3.763 1.00 0.00 O ATOM 943 CB LYS A 65 3.450 9.853 -4.941 1.00 0.00 C ATOM 944 CG LYS A 65 4.914 9.522 -4.645 1.00 0.00 C ATOM 945 CD LYS A 65 5.666 9.167 -5.929 1.00 0.00 C ATOM 946 CE LYS A 65 5.663 7.655 -6.166 1.00 0.00 C ATOM 947 NZ LYS A 65 6.995 7.081 -5.873 1.00 0.00 N ATOM 0 H LYS A 65 2.619 8.329 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 65 3.457 11.003 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.942 8.965 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.396 10.608 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.393 10.374 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.968 8.688 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.204 9.673 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.693 9.527 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.910 7.184 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.389 7.444 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.975 6.055 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.706 7.518 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.242 7.266 -4.880 1.00 0.00 H new ATOM 961 N ALA A 66 0.468 10.555 -4.474 1.00 0.00 N ATOM 962 CA ALA A 66 -0.770 11.240 -4.802 1.00 0.00 C ATOM 963 C ALA A 66 -1.130 12.204 -3.670 1.00 0.00 C ATOM 964 O ALA A 66 -1.285 13.403 -3.897 1.00 0.00 O ATOM 965 CB ALA A 66 -1.871 10.209 -5.062 1.00 0.00 C ATOM 0 H ALA A 66 0.460 9.551 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.653 11.829 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.800 10.723 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.580 9.568 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.018 9.601 -4.169 1.00 0.00 H new ATOM 971 N CYS A 67 -1.252 11.645 -2.475 1.00 0.00 N ATOM 972 CA CYS A 67 -1.590 12.440 -1.307 1.00 0.00 C ATOM 973 C CYS A 67 -0.669 13.661 -1.274 1.00 0.00 C ATOM 974 O CYS A 67 -1.132 14.789 -1.111 1.00 0.00 O ATOM 975 CB CYS A 67 -1.497 11.620 -0.018 1.00 0.00 C ATOM 976 SG CYS A 67 -1.535 12.607 1.523 1.00 0.00 S ATOM 0 H CYS A 67 -1.123 10.650 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.627 12.770 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.321 10.907 0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.575 11.040 -0.039 1.00 0.00 H new ATOM 981 N ARG A 68 0.620 13.395 -1.432 1.00 0.00 N ATOM 982 CA ARG A 68 1.610 14.458 -1.423 1.00 0.00 C ATOM 983 C ARG A 68 1.289 15.493 -2.504 1.00 0.00 C ATOM 984 O ARG A 68 1.338 16.695 -2.251 1.00 0.00 O ATOM 985 CB ARG A 68 3.016 13.904 -1.659 1.00 0.00 C ATOM 986 CG ARG A 68 4.076 14.986 -1.442 1.00 0.00 C ATOM 987 CD ARG A 68 5.265 14.785 -2.384 1.00 0.00 C ATOM 988 NE ARG A 68 6.369 14.107 -1.668 1.00 0.00 N ATOM 989 CZ ARG A 68 7.342 13.412 -2.273 1.00 0.00 C ATOM 990 NH1 ARG A 68 7.353 13.299 -3.608 1.00 0.00 N ATOM 991 NH2 ARG A 68 8.303 12.830 -1.543 1.00 0.00 N ATOM 0 H ARG A 68 1.001 12.459 -1.567 1.00 0.00 H new ATOM 0 HA ARG A 68 1.578 14.931 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.200 13.069 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.091 13.515 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.637 15.969 -1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.419 14.962 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.960 14.191 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.605 15.748 -2.765 1.00 0.00 H new ATOM 0 HE ARG A 68 6.390 14.173 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.621 13.742 -4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.093 12.770 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.294 12.916 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.044 12.301 -2.004 1.00 0.00 H new ATOM 1005 N ALA A 69 0.967 14.986 -3.685 1.00 0.00 N ATOM 1006 CA ALA A 69 0.638 15.851 -4.805 1.00 0.00 C ATOM 1007 C ALA A 69 -0.825 16.287 -4.695 1.00 0.00 C ATOM 1008 O ALA A 69 -1.342 16.965 -5.581 1.00 0.00 O ATOM 1009 CB ALA A 69 0.932 15.121 -6.117 1.00 0.00 C ATOM 0 H ALA A 69 0.927 13.988 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 69 1.252 16.751 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.685 15.770 -6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.989 14.859 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.331 14.213 -6.171 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.450 15.878 -3.601 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.842 16.218 -3.364 1.00 0.00 C ATOM 1017 C ALA A 70 -2.917 17.397 -2.392 1.00 0.00 C ATOM 1018 O ALA A 70 -3.342 18.489 -2.766 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.587 14.986 -2.844 1.00 0.00 C ATOM 0 H ALA A 70 -1.018 15.314 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.325 16.525 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.632 15.241 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.529 14.187 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.131 14.652 -1.912 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.497 17.137 -1.162 1.00 0.00 N ATOM 1026 CA ASN A 71 -2.511 18.163 -0.134 1.00 0.00 C ATOM 1027 C ASN A 71 -1.194 18.940 -0.177 1.00 0.00 C ATOM 1028 O ASN A 71 -1.195 20.164 -0.295 1.00 0.00 O ATOM 1029 CB ASN A 71 -2.650 17.545 1.259 1.00 0.00 C ATOM 1030 CG ASN A 71 -3.921 16.699 1.359 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -4.994 17.092 0.933 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.740 15.519 1.945 1.00 0.00 N ATOM 0 H ASN A 71 -2.145 16.230 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.360 18.819 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.779 16.926 1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.674 18.334 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.527 14.881 2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.814 15.252 2.279 1.00 0.00 H new ATOM 1039 N CYS A 72 -0.102 18.197 -0.078 1.00 0.00 N ATOM 1040 CA CYS A 72 1.220 18.800 -0.105 1.00 0.00 C ATOM 1041 C CYS A 72 1.495 19.293 -1.527 1.00 0.00 C ATOM 1042 O CYS A 72 2.430 18.830 -2.178 1.00 0.00 O ATOM 1043 CB CYS A 72 2.296 17.827 0.381 1.00 0.00 C ATOM 1044 SG CYS A 72 1.929 17.010 1.976 1.00 0.00 S ATOM 0 H CYS A 72 -0.105 17.182 0.021 1.00 0.00 H new ATOM 0 HA CYS A 72 1.251 19.645 0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.442 17.059 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.239 18.367 0.474 1.00 0.00 H new ATOM 1049 N ALA A 73 0.663 20.225 -1.968 1.00 0.00 N ATOM 1050 CA ALA A 73 0.804 20.784 -3.301 1.00 0.00 C ATOM 1051 C ALA A 73 1.659 22.051 -3.229 1.00 0.00 C ATOM 1052 O ALA A 73 2.165 22.522 -4.247 1.00 0.00 O ATOM 1053 CB ALA A 73 -0.581 21.049 -3.894 1.00 0.00 C ATOM 0 H ALA A 73 -0.111 20.607 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 73 1.311 20.080 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.474 21.469 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.138 20.114 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.119 21.754 -3.260 1.00 0.00 H new ATOM 1059 N SER A 74 1.795 22.567 -2.016 1.00 0.00 N ATOM 1060 CA SER A 74 2.580 23.770 -1.799 1.00 0.00 C ATOM 1061 C SER A 74 3.907 23.415 -1.125 1.00 0.00 C ATOM 1062 O SER A 74 4.895 24.131 -1.275 1.00 0.00 O ATOM 1063 CB SER A 74 1.810 24.785 -0.951 1.00 0.00 C ATOM 1064 OG SER A 74 2.203 26.125 -1.233 1.00 0.00 O ATOM 0 H SER A 74 1.375 22.174 -1.174 1.00 0.00 H new ATOM 0 HA SER A 74 2.782 24.225 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.741 24.674 -1.135 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.975 24.574 0.106 1.00 0.00 H new ATOM 0 HG SER A 74 1.688 26.742 -0.673 1.00 0.00 H new ATOM 1070 N GLU A 75 3.886 22.308 -0.397 1.00 0.00 N ATOM 1071 CA GLU A 75 5.075 21.848 0.300 1.00 0.00 C ATOM 1072 C GLU A 75 5.916 20.956 -0.616 1.00 0.00 C ATOM 1073 O GLU A 75 6.993 20.505 -0.231 1.00 0.00 O ATOM 1074 CB GLU A 75 4.706 21.115 1.591 1.00 0.00 C ATOM 1075 CG GLU A 75 4.008 22.056 2.575 1.00 0.00 C ATOM 1076 CD GLU A 75 4.964 22.492 3.688 1.00 0.00 C ATOM 1077 OE1 GLU A 75 5.053 21.742 4.684 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.583 23.564 3.517 1.00 0.00 O ATOM 0 H GLU A 75 3.064 21.716 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 75 5.671 22.719 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.053 20.273 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.605 20.705 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.637 22.933 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.142 21.557 3.009 1.00 0.00 H new ATOM 1085 N CYS A 76 5.391 20.728 -1.811 1.00 0.00 N ATOM 1086 CA CYS A 76 6.079 19.897 -2.785 1.00 0.00 C ATOM 1087 C CYS A 76 5.700 20.384 -4.185 1.00 0.00 C ATOM 1088 O CYS A 76 4.698 19.945 -4.748 1.00 0.00 O ATOM 1089 CB CYS A 76 5.760 18.414 -2.590 1.00 0.00 C ATOM 1090 SG CYS A 76 5.432 17.921 -0.858 1.00 0.00 S ATOM 0 H CYS A 76 4.497 21.104 -2.127 1.00 0.00 H new ATOM 0 HA CYS A 76 7.157 19.989 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 76 4.890 18.161 -3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.595 17.824 -2.969 1.00 0.00 H new ATOM 1095 N PRO A 77 6.542 21.308 -4.720 1.00 0.00 N ATOM 1096 CA PRO A 77 6.305 21.859 -6.044 1.00 0.00 C ATOM 1097 C PRO A 77 6.668 20.847 -7.132 1.00 0.00 C ATOM 1098 O PRO A 77 6.818 19.658 -6.854 1.00 0.00 O ATOM 1099 CB PRO A 77 7.148 23.122 -6.101 1.00 0.00 C ATOM 1100 CG PRO A 77 8.180 22.985 -4.993 1.00 0.00 C ATOM 1101 CD PRO A 77 7.737 21.851 -4.082 1.00 0.00 C ATOM 0 HA PRO A 77 5.255 22.089 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.630 23.226 -7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.532 24.009 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.164 22.776 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.263 23.916 -4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.514 21.093 -3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.520 22.212 -3.077 1.00 0.00 H new ATOM 1109 N LYS A 78 6.799 21.355 -8.348 1.00 0.00 N ATOM 1110 CA LYS A 78 7.143 20.510 -9.480 1.00 0.00 C ATOM 1111 C LYS A 78 8.198 19.491 -9.047 1.00 0.00 C ATOM 1112 O LYS A 78 7.935 18.289 -9.029 1.00 0.00 O ATOM 1113 CB LYS A 78 7.566 21.364 -10.677 1.00 0.00 C ATOM 1114 CG LYS A 78 8.071 20.487 -11.824 1.00 0.00 C ATOM 1115 CD LYS A 78 6.929 19.668 -12.431 1.00 0.00 C ATOM 1116 CE LYS A 78 7.056 18.190 -12.057 1.00 0.00 C ATOM 1117 NZ LYS A 78 5.849 17.733 -11.333 1.00 0.00 N ATOM 0 H LYS A 78 6.673 22.341 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 78 6.272 19.945 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.722 21.963 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.349 22.059 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.523 21.113 -12.593 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.850 19.817 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.972 20.055 -12.080 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.937 19.774 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.196 17.592 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.939 18.041 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.692 16.723 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.982 17.877 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.024 18.278 -11.655 1.00 0.00 H new ATOM 1131 N HIS A 79 9.371 20.007 -8.710 1.00 0.00 N ATOM 1132 CA HIS A 79 10.467 19.156 -8.279 1.00 0.00 C ATOM 1133 C HIS A 79 10.793 19.443 -6.812 1.00 0.00 C ATOM 1134 O HIS A 79 11.421 20.453 -6.498 1.00 0.00 O ATOM 1135 CB HIS A 79 11.678 19.323 -9.199 1.00 0.00 C ATOM 1136 CG HIS A 79 11.523 18.656 -10.545 1.00 0.00 C ATOM 1137 ND1 HIS A 79 12.386 18.891 -11.602 1.00 0.00 N ATOM 1138 CD2 HIS A 79 10.599 17.760 -10.995 1.00 0.00 C ATOM 1139 CE1 HIS A 79 11.988 18.164 -12.636 1.00 0.00 C ATOM 1140 NE2 HIS A 79 10.880 17.464 -12.258 1.00 0.00 N ATOM 0 H HIS A 79 9.586 21.004 -8.727 1.00 0.00 H new ATOM 0 HA HIS A 79 10.170 18.110 -8.351 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.862 20.387 -9.351 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.558 18.915 -8.702 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.777 17.359 -10.421 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.458 18.131 -13.608 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.354 16.820 -12.848 1.00 0.00 H new ATOM 1148 N GLU A 80 10.351 18.536 -5.953 1.00 0.00 N ATOM 1149 CA GLU A 80 10.588 18.679 -4.527 1.00 0.00 C ATOM 1150 C GLU A 80 11.903 18.001 -4.136 1.00 0.00 C ATOM 1151 O GLU A 80 12.648 18.516 -3.303 1.00 0.00 O ATOM 1152 CB GLU A 80 9.419 18.114 -3.717 1.00 0.00 C ATOM 1153 CG GLU A 80 9.329 16.594 -3.871 1.00 0.00 C ATOM 1154 CD GLU A 80 10.180 15.886 -2.815 1.00 0.00 C ATOM 1155 OE1 GLU A 80 10.507 16.552 -1.809 1.00 0.00 O ATOM 1156 OE2 GLU A 80 10.485 14.694 -3.038 1.00 0.00 O ATOM 0 H GLU A 80 9.830 17.700 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 80 10.667 19.742 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.544 18.370 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.487 18.572 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.290 16.276 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.664 16.305 -4.867 1.00 0.00 H new ATOM 1163 N HIS A 81 12.149 16.856 -4.757 1.00 0.00 N ATOM 1164 CA HIS A 81 13.361 16.103 -4.485 1.00 0.00 C ATOM 1165 C HIS A 81 13.616 16.067 -2.977 1.00 0.00 C ATOM 1166 O HIS A 81 14.331 16.914 -2.444 1.00 0.00 O ATOM 1167 CB HIS A 81 14.543 16.672 -5.273 1.00 0.00 C ATOM 1168 CG HIS A 81 14.613 18.180 -5.270 1.00 0.00 C ATOM 1169 ND1 HIS A 81 15.472 18.889 -4.447 1.00 0.00 N ATOM 1170 CD2 HIS A 81 13.925 19.106 -5.997 1.00 0.00 C ATOM 1171 CE1 HIS A 81 15.299 20.182 -4.677 1.00 0.00 C ATOM 1172 NE2 HIS A 81 14.339 20.315 -5.637 1.00 0.00 N ATOM 0 H HIS A 81 11.529 16.432 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 81 13.237 15.074 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 81 15.469 16.275 -4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 81 14.481 16.323 -6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.171 18.892 -6.740 1.00 0.00 H new ATOM 0 HE1 HIS A 81 15.826 20.989 -4.190 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.996 21.198 -6.016 1.00 0.00 H new ATOM 1180 N LYS A 82 13.016 15.077 -2.331 1.00 0.00 N ATOM 1181 CA LYS A 82 13.169 14.920 -0.895 1.00 0.00 C ATOM 1182 C LYS A 82 13.362 16.296 -0.253 1.00 0.00 C ATOM 1183 O LYS A 82 14.486 16.690 0.052 1.00 0.00 O ATOM 1184 CB LYS A 82 14.295 13.932 -0.581 1.00 0.00 C ATOM 1185 CG LYS A 82 15.665 14.562 -0.840 1.00 0.00 C ATOM 1186 CD LYS A 82 16.586 13.587 -1.577 1.00 0.00 C ATOM 1187 CE LYS A 82 17.322 14.288 -2.720 1.00 0.00 C ATOM 1188 NZ LYS A 82 18.787 14.197 -2.526 1.00 0.00 N ATOM 0 H LYS A 82 12.423 14.376 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 82 12.267 14.489 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.227 13.616 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.180 13.038 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.546 15.471 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.120 14.853 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.309 13.165 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.001 12.756 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.046 13.833 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.020 15.334 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.272 14.678 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.047 14.652 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.073 13.197 -2.503 1.00 0.00 H new ATOM 1202 N SER A 83 12.247 16.988 -0.068 1.00 0.00 N ATOM 1203 CA SER A 83 12.279 18.311 0.532 1.00 0.00 C ATOM 1204 C SER A 83 12.025 18.210 2.037 1.00 0.00 C ATOM 1205 O SER A 83 11.452 17.229 2.509 1.00 0.00 O ATOM 1206 CB SER A 83 11.249 19.236 -0.119 1.00 0.00 C ATOM 1207 OG SER A 83 11.503 20.608 0.172 1.00 0.00 O ATOM 0 H SER A 83 11.316 16.657 -0.323 1.00 0.00 H new ATOM 0 HA SER A 83 13.268 18.738 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.259 19.087 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.251 18.970 0.230 1.00 0.00 H new ATOM 0 HG SER A 83 10.825 21.166 -0.263 1.00 0.00 H new ATOM 1213 N ASP A 84 12.464 19.237 2.749 1.00 0.00 N ATOM 1214 CA ASP A 84 12.291 19.276 4.192 1.00 0.00 C ATOM 1215 C ASP A 84 10.873 19.746 4.518 1.00 0.00 C ATOM 1216 O ASP A 84 10.263 19.273 5.477 1.00 0.00 O ATOM 1217 CB ASP A 84 13.274 20.253 4.838 1.00 0.00 C ATOM 1218 CG ASP A 84 13.373 20.158 6.362 1.00 0.00 C ATOM 1219 OD1 ASP A 84 13.399 19.011 6.858 1.00 0.00 O ATOM 1220 OD2 ASP A 84 13.421 21.234 6.996 1.00 0.00 O ATOM 0 H ASP A 84 12.939 20.049 2.354 1.00 0.00 H new ATOM 0 HA ASP A 84 12.471 18.274 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.263 20.083 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.982 21.269 4.571 1.00 0.00 H new ATOM 1225 N THR A 85 10.388 20.671 3.704 1.00 0.00 N ATOM 1226 CA THR A 85 9.052 21.211 3.894 1.00 0.00 C ATOM 1227 C THR A 85 8.000 20.215 3.403 1.00 0.00 C ATOM 1228 O THR A 85 6.858 20.238 3.860 1.00 0.00 O ATOM 1229 CB THR A 85 8.984 22.566 3.186 1.00 0.00 C ATOM 1230 OG1 THR A 85 8.147 23.355 4.027 1.00 0.00 O ATOM 1231 CG2 THR A 85 8.222 22.496 1.861 1.00 0.00 C ATOM 0 H THR A 85 10.896 21.061 2.910 1.00 0.00 H new ATOM 0 HA THR A 85 8.836 21.370 4.951 1.00 0.00 H new ATOM 0 HB THR A 85 9.994 22.932 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.282 23.496 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.203 23.483 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.718 21.793 1.193 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.201 22.162 2.046 1.00 0.00 H new ATOM 1239 N CYS A 86 8.422 19.364 2.479 1.00 0.00 N ATOM 1240 CA CYS A 86 7.530 18.362 1.922 1.00 0.00 C ATOM 1241 C CYS A 86 7.338 17.257 2.962 1.00 0.00 C ATOM 1242 O CYS A 86 6.254 17.110 3.524 1.00 0.00 O ATOM 1243 CB CYS A 86 8.056 17.812 0.595 1.00 0.00 C ATOM 1244 SG CYS A 86 6.906 16.689 -0.281 1.00 0.00 S ATOM 0 H CYS A 86 9.370 19.348 2.102 1.00 0.00 H new ATOM 0 HA CYS A 86 6.566 18.816 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.293 18.650 -0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.989 17.280 0.783 1.00 0.00 H new ATOM 1249 N ARG A 87 8.408 16.508 3.186 1.00 0.00 N ATOM 1250 CA ARG A 87 8.371 15.421 4.149 1.00 0.00 C ATOM 1251 C ARG A 87 7.615 15.851 5.408 1.00 0.00 C ATOM 1252 O ARG A 87 6.925 15.043 6.028 1.00 0.00 O ATOM 1253 CB ARG A 87 9.784 14.981 4.538 1.00 0.00 C ATOM 1254 CG ARG A 87 10.510 14.353 3.346 1.00 0.00 C ATOM 1255 CD ARG A 87 11.755 13.589 3.803 1.00 0.00 C ATOM 1256 NE ARG A 87 12.223 12.692 2.723 1.00 0.00 N ATOM 1257 CZ ARG A 87 13.250 11.840 2.846 1.00 0.00 C ATOM 1258 NH1 ARG A 87 13.922 11.764 4.002 1.00 0.00 N ATOM 1259 NH2 ARG A 87 13.605 11.065 1.812 1.00 0.00 N ATOM 0 H ARG A 87 9.305 16.633 2.717 1.00 0.00 H new ATOM 0 HA ARG A 87 7.856 14.582 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.349 15.839 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.733 14.263 5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.836 13.676 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.796 15.131 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.544 14.291 4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.528 13.008 4.697 1.00 0.00 H new ATOM 0 HE ARG A 87 11.733 12.724 1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.652 12.355 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.704 11.116 4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.094 11.124 0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.387 10.416 1.906 1.00 0.00 H new ATOM 1273 N ALA A 88 7.769 17.122 5.747 1.00 0.00 N ATOM 1274 CA ALA A 88 7.109 17.670 6.919 1.00 0.00 C ATOM 1275 C ALA A 88 5.593 17.600 6.725 1.00 0.00 C ATOM 1276 O ALA A 88 4.879 17.064 7.572 1.00 0.00 O ATOM 1277 CB ALA A 88 7.600 19.098 7.162 1.00 0.00 C ATOM 0 H ALA A 88 8.342 17.789 5.230 1.00 0.00 H new ATOM 0 HA ALA A 88 7.355 17.086 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.104 19.508 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.678 19.090 7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.368 19.715 6.294 1.00 0.00 H new ATOM 1283 N CYS A 89 5.145 18.148 5.605 1.00 0.00 N ATOM 1284 CA CYS A 89 3.727 18.155 5.289 1.00 0.00 C ATOM 1285 C CYS A 89 3.227 16.709 5.295 1.00 0.00 C ATOM 1286 O CYS A 89 2.324 16.363 6.055 1.00 0.00 O ATOM 1287 CB CYS A 89 3.448 18.850 3.955 1.00 0.00 C ATOM 1288 SG CYS A 89 1.782 18.544 3.264 1.00 0.00 S ATOM 0 H CYS A 89 5.740 18.591 4.905 1.00 0.00 H new ATOM 0 HA CYS A 89 3.187 18.729 6.042 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.580 19.924 4.086 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.193 18.524 3.229 1.00 0.00 H new ATOM 1293 N MET A 90 3.837 15.902 4.438 1.00 0.00 N ATOM 1294 CA MET A 90 3.465 14.501 4.335 1.00 0.00 C ATOM 1295 C MET A 90 3.376 13.854 5.719 1.00 0.00 C ATOM 1296 O MET A 90 2.592 12.929 5.926 1.00 0.00 O ATOM 1297 CB MET A 90 4.501 13.759 3.489 1.00 0.00 C ATOM 1298 CG MET A 90 4.292 14.035 1.999 1.00 0.00 C ATOM 1299 SD MET A 90 5.042 12.740 1.027 1.00 0.00 S ATOM 1300 CE MET A 90 3.756 11.504 1.111 1.00 0.00 C ATOM 0 H MET A 90 4.586 16.192 3.809 1.00 0.00 H new ATOM 0 HA MET A 90 2.485 14.438 3.862 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.504 14.068 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.430 12.688 3.677 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.226 14.096 1.778 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.728 14.998 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.056 10.628 0.537 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.593 11.218 2.150 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.833 11.911 0.698 1.00 0.00 H new ATOM 1310 N LYS A 91 4.192 14.366 6.629 1.00 0.00 N ATOM 1311 CA LYS A 91 4.215 13.849 7.987 1.00 0.00 C ATOM 1312 C LYS A 91 2.780 13.674 8.487 1.00 0.00 C ATOM 1313 O LYS A 91 2.404 12.594 8.939 1.00 0.00 O ATOM 1314 CB LYS A 91 5.074 14.742 8.885 1.00 0.00 C ATOM 1315 CG LYS A 91 5.569 13.972 10.112 1.00 0.00 C ATOM 1316 CD LYS A 91 6.737 14.699 10.781 1.00 0.00 C ATOM 1317 CE LYS A 91 6.508 14.834 12.287 1.00 0.00 C ATOM 1318 NZ LYS A 91 6.704 13.530 12.960 1.00 0.00 N ATOM 0 H LYS A 91 4.841 15.133 6.453 1.00 0.00 H new ATOM 0 HA LYS A 91 4.683 12.865 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.926 15.120 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.494 15.608 9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.753 13.854 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.881 12.971 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.663 14.153 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.857 15.688 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.197 15.571 12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.499 15.199 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.545 13.639 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.030 12.837 12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.675 13.197 12.795 1.00 0.00 H new ATOM 1332 N THR A 92 2.017 14.753 8.388 1.00 0.00 N ATOM 1333 CA THR A 92 0.631 14.732 8.824 1.00 0.00 C ATOM 1334 C THR A 92 -0.306 14.644 7.619 1.00 0.00 C ATOM 1335 O THR A 92 -1.108 13.716 7.518 1.00 0.00 O ATOM 1336 CB THR A 92 0.390 15.969 9.692 1.00 0.00 C ATOM 1337 OG1 THR A 92 0.942 15.618 10.958 1.00 0.00 O ATOM 1338 CG2 THR A 92 -1.094 16.200 9.984 1.00 0.00 C ATOM 0 H THR A 92 2.332 15.647 8.012 1.00 0.00 H new ATOM 0 HA THR A 92 0.419 13.848 9.426 1.00 0.00 H new ATOM 0 HB THR A 92 0.803 16.847 9.195 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.830 16.365 11.582 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.209 17.090 10.603 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.632 16.339 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.500 15.336 10.511 1.00 0.00 H new ATOM 1346 N ASN A 93 -0.174 15.621 6.734 1.00 0.00 N ATOM 1347 CA ASN A 93 -1.000 15.665 5.539 1.00 0.00 C ATOM 1348 C ASN A 93 -1.103 14.260 4.943 1.00 0.00 C ATOM 1349 O ASN A 93 -2.187 13.822 4.561 1.00 0.00 O ATOM 1350 CB ASN A 93 -0.387 16.583 4.480 1.00 0.00 C ATOM 1351 CG ASN A 93 -0.806 18.037 4.706 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -1.698 18.561 4.059 1.00 0.00 O ATOM 1353 ND2 ASN A 93 -0.114 18.658 5.657 1.00 0.00 N ATOM 0 H ASN A 93 0.492 16.388 6.820 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.982 16.045 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.700 16.505 4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.702 16.260 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.318 19.632 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.620 18.161 6.161 1.00 0.00 H new ATOM 1360 N CYS A 94 0.040 13.591 4.884 1.00 0.00 N ATOM 1361 CA CYS A 94 0.091 12.244 4.342 1.00 0.00 C ATOM 1362 C CYS A 94 0.497 11.289 5.466 1.00 0.00 C ATOM 1363 O CYS A 94 1.596 10.736 5.449 1.00 0.00 O ATOM 1364 CB CYS A 94 1.040 12.152 3.144 1.00 0.00 C ATOM 1365 SG CYS A 94 0.504 13.090 1.667 1.00 0.00 S ATOM 0 H CYS A 94 0.937 13.957 5.203 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.893 11.963 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.023 12.512 3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.155 11.104 2.869 1.00 0.00 H new ATOM 1370 N LYS A 95 -0.411 11.125 6.416 1.00 0.00 N ATOM 1371 CA LYS A 95 -0.162 10.246 7.546 1.00 0.00 C ATOM 1372 C LYS A 95 0.508 8.963 7.050 1.00 0.00 C ATOM 1373 O LYS A 95 1.333 8.379 7.751 1.00 0.00 O ATOM 1374 CB LYS A 95 -1.452 10.002 8.331 1.00 0.00 C ATOM 1375 CG LYS A 95 -1.619 11.036 9.447 1.00 0.00 C ATOM 1376 CD LYS A 95 -1.182 10.461 10.796 1.00 0.00 C ATOM 1377 CE LYS A 95 -2.117 10.921 11.916 1.00 0.00 C ATOM 1378 NZ LYS A 95 -2.946 9.792 12.394 1.00 0.00 N ATOM 0 H LYS A 95 -1.321 11.586 6.427 1.00 0.00 H new ATOM 0 HA LYS A 95 0.527 10.715 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.307 10.049 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.438 8.999 8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.029 11.923 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.661 11.352 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.176 9.372 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.162 10.776 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.533 11.327 12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.759 11.724 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.575 10.121 13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.517 9.423 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.329 9.038 12.757 1.00 0.00 H new