USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 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 24 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 97:sc= 1.34 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 103:sc= 0.448 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 68:sc= 0.306 USER MOD Single : A 34 SER OG : rot -19:sc= -1.92 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= -0.302 USER MOD Single : A 43 ASN : amide:sc= -4.54! K(o=-4.5!,f=-3) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= 0.701 (180deg=-0.00131) USER MOD Single : A 52 GLN : amide:sc= -1.67 K(o=-1.7,f=-5.4!) 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 64 HIS : no HD1:sc=-0.00492 X(o=-0.0049,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.58! K(o=-2.6!,f=-1.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.31) USER MOD Single : A 81 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.57) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 160:sc= -1.01 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -138:sc= -0.612 (180deg=-2.64!) 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= -3.27! C(o=-3.3!,f=-7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -6.319 12.170 4.615 1.00 0.00 N ATOM 91 CA VAL A 7 -6.299 11.021 3.726 1.00 0.00 C ATOM 92 C VAL A 7 -5.899 9.775 4.519 1.00 0.00 C ATOM 93 O VAL A 7 -5.232 9.877 5.547 1.00 0.00 O ATOM 94 CB VAL A 7 -5.376 11.295 2.537 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.202 10.042 1.677 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.893 12.467 1.700 1.00 0.00 C ATOM 0 HA VAL A 7 -7.292 10.839 3.314 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.397 11.570 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.541 10.265 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.767 9.245 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.173 9.723 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.219 12.641 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.889 12.233 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.941 13.363 2.319 1.00 0.00 H new ATOM 106 N ASP A 8 -6.325 8.628 4.011 1.00 0.00 N ATOM 107 CA ASP A 8 -6.019 7.363 4.659 1.00 0.00 C ATOM 108 C ASP A 8 -5.124 6.528 3.741 1.00 0.00 C ATOM 109 O ASP A 8 -4.187 5.880 4.204 1.00 0.00 O ATOM 110 CB ASP A 8 -7.294 6.563 4.933 1.00 0.00 C ATOM 111 CG ASP A 8 -7.145 5.445 5.967 1.00 0.00 C ATOM 112 OD1 ASP A 8 -6.336 5.638 6.900 1.00 0.00 O ATOM 113 OD2 ASP A 8 -7.844 4.422 5.801 1.00 0.00 O ATOM 0 H ASP A 8 -6.879 8.548 3.159 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.519 7.579 5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.070 7.249 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.640 6.127 3.996 1.00 0.00 H new ATOM 118 N CYS A 9 -5.446 6.570 2.456 1.00 0.00 N ATOM 119 CA CYS A 9 -4.683 5.825 1.469 1.00 0.00 C ATOM 120 C CYS A 9 -4.900 4.331 1.722 1.00 0.00 C ATOM 121 O CYS A 9 -5.608 3.667 0.966 1.00 0.00 O ATOM 122 CB CYS A 9 -3.200 6.199 1.501 1.00 0.00 C ATOM 123 SG CYS A 9 -2.724 7.549 0.361 1.00 0.00 S ATOM 0 H CYS A 9 -6.225 7.108 2.076 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.033 6.078 0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.935 6.490 2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.611 5.314 1.259 1.00 0.00 H new ATOM 128 N LYS A 10 -4.278 3.847 2.786 1.00 0.00 N ATOM 129 CA LYS A 10 -4.394 2.444 3.147 1.00 0.00 C ATOM 130 C LYS A 10 -5.835 1.981 2.920 1.00 0.00 C ATOM 131 O LYS A 10 -6.068 0.950 2.291 1.00 0.00 O ATOM 132 CB LYS A 10 -3.893 2.215 4.574 1.00 0.00 C ATOM 133 CG LYS A 10 -3.495 0.753 4.787 1.00 0.00 C ATOM 134 CD LYS A 10 -4.135 0.190 6.057 1.00 0.00 C ATOM 135 CE LYS A 10 -3.121 -0.616 6.872 1.00 0.00 C ATOM 136 NZ LYS A 10 -2.660 0.163 8.043 1.00 0.00 N ATOM 0 H LYS A 10 -3.692 4.401 3.410 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.757 1.832 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.037 2.861 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.671 2.491 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.803 0.159 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.410 0.674 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.527 1.006 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.980 -0.445 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.573 -1.550 7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.269 -0.880 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.973 -0.399 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.210 1.043 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.473 0.393 8.649 1.00 0.00 H new ATOM 150 N GLY A 11 -6.765 2.767 3.445 1.00 0.00 N ATOM 151 CA GLY A 11 -8.176 2.450 3.307 1.00 0.00 C ATOM 152 C GLY A 11 -8.639 2.627 1.860 1.00 0.00 C ATOM 153 O GLY A 11 -9.201 1.707 1.267 1.00 0.00 O ATOM 0 H GLY A 11 -6.568 3.622 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.355 1.423 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.763 3.094 3.962 1.00 0.00 H new ATOM 157 N GLN A 12 -8.386 3.816 1.332 1.00 0.00 N ATOM 158 CA GLN A 12 -8.770 4.126 -0.035 1.00 0.00 C ATOM 159 C GLN A 12 -8.301 3.019 -0.981 1.00 0.00 C ATOM 160 O GLN A 12 -8.887 2.816 -2.043 1.00 0.00 O ATOM 161 CB GLN A 12 -8.217 5.486 -0.465 1.00 0.00 C ATOM 162 CG GLN A 12 -9.199 6.609 -0.126 1.00 0.00 C ATOM 163 CD GLN A 12 -9.872 7.148 -1.390 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.990 6.795 -1.728 1.00 0.00 O ATOM 165 NE2 GLN A 12 -9.131 8.021 -2.067 1.00 0.00 N ATOM 0 H GLN A 12 -7.920 4.576 1.827 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.858 4.182 -0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.264 5.669 0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.021 5.481 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.957 6.238 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.672 7.416 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.203 8.273 -1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.491 8.439 -2.925 1.00 0.00 H new ATOM 174 N CYS A 13 -7.249 2.331 -0.561 1.00 0.00 N ATOM 175 CA CYS A 13 -6.695 1.250 -1.358 1.00 0.00 C ATOM 176 C CYS A 13 -7.382 -0.053 -0.944 1.00 0.00 C ATOM 177 O CYS A 13 -6.722 -0.994 -0.507 1.00 0.00 O ATOM 178 CB CYS A 13 -5.174 1.164 -1.215 1.00 0.00 C ATOM 179 SG CYS A 13 -4.253 2.562 -1.954 1.00 0.00 S ATOM 0 H CYS A 13 -6.766 2.501 0.321 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.885 1.440 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.926 1.103 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.832 0.238 -1.676 1.00 0.00 H new ATOM 184 N THR A 14 -8.698 -0.065 -1.097 1.00 0.00 N ATOM 185 CA THR A 14 -9.481 -1.237 -0.744 1.00 0.00 C ATOM 186 C THR A 14 -9.704 -2.119 -1.974 1.00 0.00 C ATOM 187 O THR A 14 -9.739 -3.344 -1.865 1.00 0.00 O ATOM 188 CB THR A 14 -10.782 -0.758 -0.096 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.426 -0.522 1.263 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.838 -1.863 -0.019 1.00 0.00 C ATOM 0 H THR A 14 -9.242 0.718 -1.460 1.00 0.00 H new ATOM 0 HA THR A 14 -8.954 -1.864 -0.025 1.00 0.00 H new ATOM 0 HB THR A 14 -11.180 0.086 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.227 0.429 1.389 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.741 -1.471 0.449 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.072 -2.213 -1.024 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.453 -2.693 0.574 1.00 0.00 H new ATOM 198 N THR A 15 -9.848 -1.463 -3.116 1.00 0.00 N ATOM 199 CA THR A 15 -10.066 -2.172 -4.365 1.00 0.00 C ATOM 200 C THR A 15 -8.796 -2.916 -4.784 1.00 0.00 C ATOM 201 O THR A 15 -8.852 -4.087 -5.156 1.00 0.00 O ATOM 202 CB THR A 15 -10.549 -1.160 -5.405 1.00 0.00 C ATOM 203 OG1 THR A 15 -11.965 -1.325 -5.418 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.119 -1.530 -6.826 1.00 0.00 C ATOM 0 H THR A 15 -9.818 -0.447 -3.202 1.00 0.00 H new ATOM 0 HA THR A 15 -10.833 -2.939 -4.256 1.00 0.00 H new ATOM 0 HB THR A 15 -10.164 -0.171 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.361 -0.705 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.488 -0.779 -7.525 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.031 -1.571 -6.878 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.532 -2.504 -7.089 1.00 0.00 H new ATOM 212 N PRO A 16 -7.651 -2.186 -4.709 1.00 0.00 N ATOM 213 CA PRO A 16 -6.370 -2.763 -5.077 1.00 0.00 C ATOM 214 C PRO A 16 -5.870 -3.722 -3.995 1.00 0.00 C ATOM 215 O PRO A 16 -5.059 -4.605 -4.269 1.00 0.00 O ATOM 216 CB PRO A 16 -5.448 -1.573 -5.288 1.00 0.00 C ATOM 217 CG PRO A 16 -6.112 -0.401 -4.583 1.00 0.00 C ATOM 218 CD PRO A 16 -7.547 -0.796 -4.274 1.00 0.00 C ATOM 0 HA PRO A 16 -6.426 -3.371 -5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.458 -1.768 -4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.315 -1.366 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.578 -0.155 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.088 0.488 -5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.765 -0.697 -3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.256 -0.161 -4.805 1.00 0.00 H new ATOM 226 N CYS A 17 -6.374 -3.516 -2.787 1.00 0.00 N ATOM 227 CA CYS A 17 -5.989 -4.351 -1.662 1.00 0.00 C ATOM 228 C CYS A 17 -7.210 -5.166 -1.229 1.00 0.00 C ATOM 229 O CYS A 17 -7.304 -5.584 -0.076 1.00 0.00 O ATOM 230 CB CYS A 17 -5.419 -3.521 -0.510 1.00 0.00 C ATOM 231 SG CYS A 17 -4.255 -2.203 -1.017 1.00 0.00 S ATOM 0 H CYS A 17 -7.046 -2.782 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.190 -5.028 -1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.246 -3.066 0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.909 -4.190 0.184 1.00 0.00 H new ATOM 236 N GLU A 18 -8.114 -5.367 -2.177 1.00 0.00 N ATOM 237 CA GLU A 18 -9.324 -6.124 -1.907 1.00 0.00 C ATOM 238 C GLU A 18 -9.020 -7.623 -1.890 1.00 0.00 C ATOM 239 O GLU A 18 -9.381 -8.323 -0.946 1.00 0.00 O ATOM 240 CB GLU A 18 -10.414 -5.797 -2.930 1.00 0.00 C ATOM 241 CG GLU A 18 -11.720 -5.407 -2.234 1.00 0.00 C ATOM 242 CD GLU A 18 -12.931 -5.942 -3.001 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.201 -5.392 -4.090 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.559 -6.889 -2.479 1.00 0.00 O ATOM 0 H GLU A 18 -8.032 -5.019 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.697 -5.838 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.082 -4.981 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.584 -6.660 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.726 -5.800 -1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.785 -4.322 -2.156 1.00 0.00 H new ATOM 251 N PRO A 19 -8.340 -8.084 -2.974 1.00 0.00 N ATOM 252 CA PRO A 19 -7.983 -9.487 -3.093 1.00 0.00 C ATOM 253 C PRO A 19 -6.814 -9.835 -2.169 1.00 0.00 C ATOM 254 O PRO A 19 -6.758 -10.934 -1.619 1.00 0.00 O ATOM 255 CB PRO A 19 -7.657 -9.688 -4.564 1.00 0.00 C ATOM 256 CG PRO A 19 -7.393 -8.300 -5.125 1.00 0.00 C ATOM 257 CD PRO A 19 -7.895 -7.284 -4.112 1.00 0.00 C ATOM 0 HA PRO A 19 -8.788 -10.153 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.786 -10.331 -4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.484 -10.169 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.328 -8.160 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.903 -8.171 -6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.106 -6.589 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.711 -6.688 -4.520 1.00 0.00 H new ATOM 265 N LEU A 20 -5.908 -8.879 -2.027 1.00 0.00 N ATOM 266 CA LEU A 20 -4.744 -9.070 -1.179 1.00 0.00 C ATOM 267 C LEU A 20 -5.202 -9.331 0.257 1.00 0.00 C ATOM 268 O LEU A 20 -4.956 -10.405 0.805 1.00 0.00 O ATOM 269 CB LEU A 20 -3.783 -7.887 -1.313 1.00 0.00 C ATOM 270 CG LEU A 20 -2.950 -7.556 -0.073 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.800 -8.551 0.096 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.454 -6.109 -0.116 1.00 0.00 C ATOM 0 H LEU A 20 -5.957 -7.969 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.180 -9.946 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.103 -8.089 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.361 -7.004 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.590 -7.651 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.224 -8.293 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.203 -9.558 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.153 -8.512 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.865 -5.900 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.836 -5.963 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.308 -5.433 -0.154 1.00 0.00 H new ATOM 284 N THR A 21 -5.859 -8.331 0.826 1.00 0.00 N ATOM 285 CA THR A 21 -6.353 -8.439 2.188 1.00 0.00 C ATOM 286 C THR A 21 -6.993 -9.810 2.416 1.00 0.00 C ATOM 287 O THR A 21 -6.612 -10.532 3.336 1.00 0.00 O ATOM 288 CB THR A 21 -7.310 -7.272 2.438 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.452 -6.146 2.593 1.00 0.00 O ATOM 290 CG2 THR A 21 -8.028 -7.382 3.785 1.00 0.00 C ATOM 0 H THR A 21 -6.061 -7.442 0.368 1.00 0.00 H new ATOM 0 HA THR A 21 -5.540 -8.371 2.910 1.00 0.00 H new ATOM 0 HB THR A 21 -8.047 -7.229 1.636 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.461 -5.613 1.771 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.695 -6.529 3.913 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.609 -8.304 3.814 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.293 -7.391 4.590 1.00 0.00 H new ATOM 298 N ALA A 22 -7.955 -10.127 1.562 1.00 0.00 N ATOM 299 CA ALA A 22 -8.652 -11.399 1.659 1.00 0.00 C ATOM 300 C ALA A 22 -7.628 -12.533 1.730 1.00 0.00 C ATOM 301 O ALA A 22 -7.848 -13.532 2.413 1.00 0.00 O ATOM 302 CB ALA A 22 -9.607 -11.549 0.473 1.00 0.00 C ATOM 0 H ALA A 22 -8.268 -9.526 0.800 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.252 -11.440 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.130 -12.503 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.332 -10.736 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.040 -11.516 -0.457 1.00 0.00 H new ATOM 308 N CYS A 23 -6.529 -12.340 1.014 1.00 0.00 N ATOM 309 CA CYS A 23 -5.470 -13.335 0.987 1.00 0.00 C ATOM 310 C CYS A 23 -4.829 -13.392 2.375 1.00 0.00 C ATOM 311 O CYS A 23 -4.775 -14.453 2.994 1.00 0.00 O ATOM 312 CB CYS A 23 -4.441 -13.035 -0.105 1.00 0.00 C ATOM 313 SG CYS A 23 -3.633 -14.512 -0.824 1.00 0.00 S ATOM 0 H CYS A 23 -6.349 -11.510 0.449 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.890 -14.311 0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.932 -12.481 -0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.672 -12.383 0.309 1.00 0.00 H new ATOM 318 N LYS A 24 -4.360 -12.237 2.823 1.00 0.00 N ATOM 319 CA LYS A 24 -3.725 -12.142 4.127 1.00 0.00 C ATOM 320 C LYS A 24 -4.656 -12.735 5.187 1.00 0.00 C ATOM 321 O LYS A 24 -4.227 -13.534 6.018 1.00 0.00 O ATOM 322 CB LYS A 24 -3.305 -10.699 4.415 1.00 0.00 C ATOM 323 CG LYS A 24 -1.832 -10.477 4.068 1.00 0.00 C ATOM 324 CD LYS A 24 -1.541 -8.994 3.832 1.00 0.00 C ATOM 325 CE LYS A 24 -1.146 -8.298 5.135 1.00 0.00 C ATOM 326 NZ LYS A 24 0.292 -7.946 5.119 1.00 0.00 N ATOM 0 H LYS A 24 -4.407 -11.359 2.306 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.805 -12.727 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.926 -10.014 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.473 -10.471 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.204 -10.850 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.575 -11.048 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.738 -8.889 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.421 -8.510 3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.745 -7.398 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.357 -8.951 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.607 -7.729 6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.841 -8.747 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.439 -7.114 4.512 1.00 0.00 H new ATOM 340 N GLU A 25 -5.913 -12.320 5.124 1.00 0.00 N ATOM 341 CA GLU A 25 -6.907 -12.800 6.068 1.00 0.00 C ATOM 342 C GLU A 25 -6.970 -14.329 6.042 1.00 0.00 C ATOM 343 O GLU A 25 -6.579 -14.986 7.006 1.00 0.00 O ATOM 344 CB GLU A 25 -8.280 -12.190 5.776 1.00 0.00 C ATOM 345 CG GLU A 25 -8.745 -11.306 6.935 1.00 0.00 C ATOM 346 CD GLU A 25 -9.608 -12.101 7.918 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.600 -12.698 7.448 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.255 -12.093 9.117 1.00 0.00 O ATOM 0 H GLU A 25 -6.265 -11.657 4.434 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.611 -12.485 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.233 -11.600 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.006 -12.985 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.879 -10.896 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.314 -10.461 6.547 1.00 0.00 H new ATOM 355 N LYS A 26 -7.464 -14.850 4.929 1.00 0.00 N ATOM 356 CA LYS A 26 -7.582 -16.289 4.765 1.00 0.00 C ATOM 357 C LYS A 26 -6.344 -16.969 5.353 1.00 0.00 C ATOM 358 O LYS A 26 -6.451 -18.011 5.996 1.00 0.00 O ATOM 359 CB LYS A 26 -7.839 -16.642 3.298 1.00 0.00 C ATOM 360 CG LYS A 26 -8.791 -17.833 3.180 1.00 0.00 C ATOM 361 CD LYS A 26 -9.866 -17.573 2.123 1.00 0.00 C ATOM 362 CE LYS A 26 -10.352 -18.884 1.500 1.00 0.00 C ATOM 363 NZ LYS A 26 -10.620 -18.703 0.056 1.00 0.00 N ATOM 0 H LYS A 26 -7.787 -14.302 4.132 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.444 -16.665 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.263 -15.781 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.895 -16.876 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.228 -18.729 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.262 -18.023 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.707 -17.048 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.466 -16.923 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.601 -19.661 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.258 -19.220 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.949 -19.602 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.352 -17.976 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.747 -18.404 -0.424 1.00 0.00 H new ATOM 377 N CYS A 27 -5.198 -16.350 5.111 1.00 0.00 N ATOM 378 CA CYS A 27 -3.941 -16.882 5.609 1.00 0.00 C ATOM 379 C CYS A 27 -3.947 -16.782 7.136 1.00 0.00 C ATOM 380 O CYS A 27 -3.850 -17.793 7.828 1.00 0.00 O ATOM 381 CB CYS A 27 -2.739 -16.162 4.995 1.00 0.00 C ATOM 382 SG CYS A 27 -2.635 -16.260 3.170 1.00 0.00 S ATOM 0 H CYS A 27 -5.114 -15.485 4.577 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.844 -17.927 5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.774 -15.112 5.287 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.827 -16.581 5.420 1.00 0.00 H new ATOM 387 N ALA A 28 -4.064 -15.552 7.615 1.00 0.00 N ATOM 388 CA ALA A 28 -4.084 -15.306 9.047 1.00 0.00 C ATOM 389 C ALA A 28 -4.915 -16.392 9.735 1.00 0.00 C ATOM 390 O ALA A 28 -4.431 -17.069 10.640 1.00 0.00 O ATOM 391 CB ALA A 28 -4.625 -13.901 9.316 1.00 0.00 C ATOM 0 H ALA A 28 -4.146 -14.716 7.037 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.076 -15.352 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.640 -13.716 10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.984 -13.165 8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.637 -13.819 8.920 1.00 0.00 H new ATOM 397 N GLU A 29 -6.152 -16.524 9.278 1.00 0.00 N ATOM 398 CA GLU A 29 -7.054 -17.515 9.838 1.00 0.00 C ATOM 399 C GLU A 29 -6.377 -18.887 9.879 1.00 0.00 C ATOM 400 O GLU A 29 -6.335 -19.531 10.926 1.00 0.00 O ATOM 401 CB GLU A 29 -8.363 -17.574 9.047 1.00 0.00 C ATOM 402 CG GLU A 29 -9.330 -16.482 9.507 1.00 0.00 C ATOM 403 CD GLU A 29 -10.151 -16.947 10.712 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.911 -17.923 10.538 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.998 -16.315 11.780 1.00 0.00 O ATOM 0 H GLU A 29 -6.550 -15.961 8.526 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.297 -17.220 10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.155 -17.456 7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.826 -18.552 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.771 -15.583 9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.998 -16.215 8.688 1.00 0.00 H new ATOM 412 N SER A 30 -5.863 -19.292 8.727 1.00 0.00 N ATOM 413 CA SER A 30 -5.189 -20.575 8.619 1.00 0.00 C ATOM 414 C SER A 30 -3.942 -20.588 9.505 1.00 0.00 C ATOM 415 O SER A 30 -3.546 -21.637 10.010 1.00 0.00 O ATOM 416 CB SER A 30 -4.812 -20.878 7.167 1.00 0.00 C ATOM 417 OG SER A 30 -5.436 -22.068 6.691 1.00 0.00 O ATOM 0 H SER A 30 -5.900 -18.755 7.861 1.00 0.00 H new ATOM 0 HA SER A 30 -5.875 -21.351 8.958 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.101 -20.039 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.730 -20.979 7.087 1.00 0.00 H new ATOM 0 HG SER A 30 -5.172 -22.226 5.761 1.00 0.00 H new ATOM 423 N CYS A 31 -3.358 -19.410 9.666 1.00 0.00 N ATOM 424 CA CYS A 31 -2.164 -19.272 10.483 1.00 0.00 C ATOM 425 C CYS A 31 -2.586 -18.807 11.878 1.00 0.00 C ATOM 426 O CYS A 31 -1.998 -17.879 12.431 1.00 0.00 O ATOM 427 CB CYS A 31 -1.150 -18.319 9.846 1.00 0.00 C ATOM 428 SG CYS A 31 -0.587 -18.803 8.173 1.00 0.00 S ATOM 0 H CYS A 31 -3.689 -18.542 9.245 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.660 -20.236 10.560 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.592 -17.324 9.792 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.281 -18.246 10.500 1.00 0.00 H new ATOM 433 N GLU A 32 -3.602 -19.473 12.406 1.00 0.00 N ATOM 434 CA GLU A 32 -4.110 -19.140 13.726 1.00 0.00 C ATOM 435 C GLU A 32 -3.154 -19.648 14.807 1.00 0.00 C ATOM 436 O GLU A 32 -2.819 -18.917 15.738 1.00 0.00 O ATOM 437 CB GLU A 32 -5.518 -19.704 13.930 1.00 0.00 C ATOM 438 CG GLU A 32 -6.552 -18.579 14.015 1.00 0.00 C ATOM 439 CD GLU A 32 -6.371 -17.763 15.296 1.00 0.00 C ATOM 440 OE1 GLU A 32 -5.402 -16.974 15.334 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.205 -17.946 16.208 1.00 0.00 O ATOM 0 H GLU A 32 -4.087 -20.242 11.944 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.174 -18.055 13.806 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.769 -20.372 13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.547 -20.299 14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.456 -17.926 13.147 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.557 -19.001 13.987 1.00 0.00 H new ATOM 448 N THR A 33 -2.741 -20.896 14.647 1.00 0.00 N ATOM 449 CA THR A 33 -1.829 -21.510 15.598 1.00 0.00 C ATOM 450 C THR A 33 -0.448 -21.698 14.967 1.00 0.00 C ATOM 451 O THR A 33 0.213 -22.709 15.201 1.00 0.00 O ATOM 452 CB THR A 33 -2.460 -22.818 16.080 1.00 0.00 C ATOM 453 OG1 THR A 33 -2.245 -23.726 15.003 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.983 -22.727 16.192 1.00 0.00 C ATOM 0 H THR A 33 -3.021 -21.499 13.873 1.00 0.00 H new ATOM 0 HA THR A 33 -1.671 -20.869 16.465 1.00 0.00 H new ATOM 0 HB THR A 33 -2.040 -23.087 17.049 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.287 -23.914 14.920 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.380 -23.681 16.538 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.249 -21.944 16.902 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.406 -22.490 15.216 1.00 0.00 H new ATOM 462 N SER A 34 -0.053 -20.709 14.180 1.00 0.00 N ATOM 463 CA SER A 34 1.238 -20.753 13.514 1.00 0.00 C ATOM 464 C SER A 34 2.349 -20.389 14.501 1.00 0.00 C ATOM 465 O SER A 34 2.160 -19.536 15.367 1.00 0.00 O ATOM 466 CB SER A 34 1.269 -19.809 12.309 1.00 0.00 C ATOM 467 OG SER A 34 1.190 -18.441 12.701 1.00 0.00 O ATOM 0 H SER A 34 -0.604 -19.872 13.988 1.00 0.00 H new ATOM 0 HA SER A 34 1.401 -21.768 13.151 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.187 -19.972 11.744 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.439 -20.044 11.643 1.00 0.00 H new ATOM 0 HG SER A 34 0.832 -18.382 13.611 1.00 0.00 H new ATOM 473 N ALA A 35 3.483 -21.055 14.338 1.00 0.00 N ATOM 474 CA ALA A 35 4.624 -20.813 15.204 1.00 0.00 C ATOM 475 C ALA A 35 5.123 -19.382 14.995 1.00 0.00 C ATOM 476 O ALA A 35 5.503 -18.707 15.951 1.00 0.00 O ATOM 477 CB ALA A 35 5.708 -21.855 14.924 1.00 0.00 C ATOM 0 H ALA A 35 3.636 -21.762 13.619 1.00 0.00 H new ATOM 0 HA ALA A 35 4.339 -20.913 16.251 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.564 -21.673 15.574 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.312 -22.852 15.116 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.021 -21.783 13.883 1.00 0.00 H new ATOM 483 N ASP A 36 5.105 -18.960 13.739 1.00 0.00 N ATOM 484 CA ASP A 36 5.551 -17.622 13.392 1.00 0.00 C ATOM 485 C ASP A 36 4.563 -17.000 12.403 1.00 0.00 C ATOM 486 O ASP A 36 4.775 -17.053 11.192 1.00 0.00 O ATOM 487 CB ASP A 36 6.928 -17.655 12.727 1.00 0.00 C ATOM 488 CG ASP A 36 8.113 -17.524 13.686 1.00 0.00 C ATOM 489 OD1 ASP A 36 8.196 -16.464 14.344 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.909 -18.486 13.739 1.00 0.00 O ATOM 0 H ASP A 36 4.788 -19.522 12.949 1.00 0.00 H new ATOM 0 HA ASP A 36 5.608 -17.037 14.310 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.027 -18.591 12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.981 -16.848 11.996 1.00 0.00 H new ATOM 495 N LYS A 37 3.505 -16.425 12.955 1.00 0.00 N ATOM 496 CA LYS A 37 2.483 -15.794 12.136 1.00 0.00 C ATOM 497 C LYS A 37 3.153 -15.026 10.995 1.00 0.00 C ATOM 498 O LYS A 37 2.831 -15.236 9.827 1.00 0.00 O ATOM 499 CB LYS A 37 1.562 -14.931 13.001 1.00 0.00 C ATOM 500 CG LYS A 37 0.477 -15.782 13.664 1.00 0.00 C ATOM 501 CD LYS A 37 -0.637 -14.903 14.236 1.00 0.00 C ATOM 502 CE LYS A 37 -1.772 -14.729 13.225 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.999 -14.252 13.901 1.00 0.00 N ATOM 0 H LYS A 37 3.333 -16.383 13.959 1.00 0.00 H new ATOM 0 HA LYS A 37 1.841 -16.547 11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.148 -14.421 13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.099 -14.159 12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.059 -16.477 12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.917 -16.382 14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.025 -15.351 15.151 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.233 -13.927 14.506 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.475 -14.018 12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.970 -15.677 12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.760 -14.139 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.291 -14.944 14.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.810 -13.337 14.358 1.00 0.00 H new ATOM 517 N LYS A 38 4.074 -14.151 11.374 1.00 0.00 N ATOM 518 CA LYS A 38 4.792 -13.350 10.397 1.00 0.00 C ATOM 519 C LYS A 38 5.234 -14.245 9.237 1.00 0.00 C ATOM 520 O LYS A 38 4.833 -14.029 8.094 1.00 0.00 O ATOM 521 CB LYS A 38 5.942 -12.595 11.065 1.00 0.00 C ATOM 522 CG LYS A 38 5.858 -11.096 10.771 1.00 0.00 C ATOM 523 CD LYS A 38 5.372 -10.323 11.998 1.00 0.00 C ATOM 524 CE LYS A 38 6.022 -8.939 12.067 1.00 0.00 C ATOM 525 NZ LYS A 38 5.749 -8.303 13.376 1.00 0.00 N ATOM 0 H LYS A 38 4.339 -13.980 12.344 1.00 0.00 H new ATOM 0 HA LYS A 38 4.140 -12.584 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.913 -12.760 12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.895 -12.986 10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.837 -10.726 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.180 -10.923 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.288 -10.218 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.607 -10.884 12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.098 -9.028 11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.639 -8.310 11.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.197 -7.365 13.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.722 -8.201 13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.136 -8.896 14.138 1.00 0.00 H new ATOM 539 N THR A 39 6.055 -15.230 9.571 1.00 0.00 N ATOM 540 CA THR A 39 6.557 -16.158 8.572 1.00 0.00 C ATOM 541 C THR A 39 5.397 -16.782 7.794 1.00 0.00 C ATOM 542 O THR A 39 5.305 -16.627 6.578 1.00 0.00 O ATOM 543 CB THR A 39 7.436 -17.188 9.283 1.00 0.00 C ATOM 544 OG1 THR A 39 8.316 -16.401 10.082 1.00 0.00 O ATOM 545 CG2 THR A 39 8.368 -17.926 8.320 1.00 0.00 C ATOM 0 H THR A 39 6.385 -15.406 10.520 1.00 0.00 H new ATOM 0 HA THR A 39 7.168 -15.647 7.828 1.00 0.00 H new ATOM 0 HB THR A 39 6.804 -17.909 9.801 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.921 -16.990 10.579 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.970 -18.645 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.775 -18.451 7.571 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.024 -17.209 7.827 1.00 0.00 H new ATOM 553 N CYS A 40 4.539 -17.475 8.529 1.00 0.00 N ATOM 554 CA CYS A 40 3.388 -18.124 7.924 1.00 0.00 C ATOM 555 C CYS A 40 2.737 -17.138 6.951 1.00 0.00 C ATOM 556 O CYS A 40 2.747 -17.356 5.741 1.00 0.00 O ATOM 557 CB CYS A 40 2.399 -18.621 8.979 1.00 0.00 C ATOM 558 SG CYS A 40 1.139 -19.794 8.358 1.00 0.00 S ATOM 0 H CYS A 40 4.618 -17.601 9.538 1.00 0.00 H new ATOM 0 HA CYS A 40 3.712 -19.011 7.379 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.957 -19.101 9.782 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.891 -17.761 9.414 1.00 0.00 H new ATOM 563 N ARG A 41 2.187 -16.074 7.518 1.00 0.00 N ATOM 564 CA ARG A 41 1.533 -15.054 6.716 1.00 0.00 C ATOM 565 C ARG A 41 2.360 -14.751 5.465 1.00 0.00 C ATOM 566 O ARG A 41 1.865 -14.874 4.345 1.00 0.00 O ATOM 567 CB ARG A 41 1.341 -13.764 7.516 1.00 0.00 C ATOM 568 CG ARG A 41 0.043 -13.809 8.325 1.00 0.00 C ATOM 569 CD ARG A 41 -0.811 -12.567 8.061 1.00 0.00 C ATOM 570 NE ARG A 41 -1.201 -11.939 9.344 1.00 0.00 N ATOM 571 CZ ARG A 41 -0.343 -11.331 10.174 1.00 0.00 C ATOM 572 NH1 ARG A 41 0.959 -11.264 9.861 1.00 0.00 N ATOM 573 NH2 ARG A 41 -0.786 -10.789 11.316 1.00 0.00 N ATOM 0 H ARG A 41 2.181 -15.896 8.522 1.00 0.00 H new ATOM 0 HA ARG A 41 0.555 -15.437 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.187 -13.619 8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.322 -12.911 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.521 -14.705 8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.275 -13.876 9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.254 -11.855 7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.701 -12.841 7.495 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.184 -11.971 9.613 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.296 -11.676 8.991 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.612 -10.801 10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.777 -10.839 11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.133 -10.326 11.948 1.00 0.00 H new ATOM 587 N ARG A 42 3.604 -14.361 5.696 1.00 0.00 N ATOM 588 CA ARG A 42 4.504 -14.039 4.602 1.00 0.00 C ATOM 589 C ARG A 42 4.530 -15.181 3.584 1.00 0.00 C ATOM 590 O ARG A 42 4.301 -14.963 2.395 1.00 0.00 O ATOM 591 CB ARG A 42 5.924 -13.788 5.112 1.00 0.00 C ATOM 592 CG ARG A 42 6.076 -12.356 5.629 1.00 0.00 C ATOM 593 CD ARG A 42 6.925 -12.319 6.901 1.00 0.00 C ATOM 594 NE ARG A 42 8.046 -11.368 6.734 1.00 0.00 N ATOM 595 CZ ARG A 42 9.041 -11.527 5.851 1.00 0.00 C ATOM 596 NH1 ARG A 42 9.060 -12.601 5.050 1.00 0.00 N ATOM 597 NH2 ARG A 42 10.017 -10.613 5.769 1.00 0.00 N ATOM 0 H ARG A 42 4.011 -14.260 6.626 1.00 0.00 H new ATOM 0 HA ARG A 42 4.136 -13.130 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.158 -14.493 5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.639 -13.966 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.538 -11.736 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.092 -11.933 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.309 -12.023 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.311 -13.315 7.119 1.00 0.00 H new ATOM 0 HE ARG A 42 8.062 -10.539 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.317 -13.297 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.817 -12.722 4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.003 -9.796 6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.774 -10.735 5.097 1.00 0.00 H new ATOM 611 N ASN A 43 4.812 -16.374 4.087 1.00 0.00 N ATOM 612 CA ASN A 43 4.871 -17.550 3.236 1.00 0.00 C ATOM 613 C ASN A 43 3.561 -17.675 2.454 1.00 0.00 C ATOM 614 O ASN A 43 3.575 -17.916 1.248 1.00 0.00 O ATOM 615 CB ASN A 43 5.048 -18.823 4.067 1.00 0.00 C ATOM 616 CG ASN A 43 6.200 -18.671 5.062 1.00 0.00 C ATOM 617 OD1 ASN A 43 7.100 -17.865 4.892 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.122 -19.489 6.108 1.00 0.00 N ATOM 0 H ASN A 43 5.002 -16.551 5.073 1.00 0.00 H new ATOM 0 HA ASN A 43 5.721 -17.437 2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.125 -19.042 4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.242 -19.669 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.843 -19.465 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.341 -20.140 6.189 1.00 0.00 H new ATOM 625 N CYS A 44 2.461 -17.506 3.173 1.00 0.00 N ATOM 626 CA CYS A 44 1.146 -17.596 2.562 1.00 0.00 C ATOM 627 C CYS A 44 1.016 -16.470 1.534 1.00 0.00 C ATOM 628 O CYS A 44 0.340 -16.627 0.519 1.00 0.00 O ATOM 629 CB CYS A 44 0.031 -17.546 3.609 1.00 0.00 C ATOM 630 SG CYS A 44 -1.609 -18.091 3.009 1.00 0.00 S ATOM 0 H CYS A 44 2.454 -17.307 4.173 1.00 0.00 H new ATOM 0 HA CYS A 44 1.040 -18.558 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.318 -18.170 4.455 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.054 -16.525 3.980 1.00 0.00 H new ATOM 635 N LYS A 45 1.673 -15.360 1.834 1.00 0.00 N ATOM 636 CA LYS A 45 1.639 -14.208 0.949 1.00 0.00 C ATOM 637 C LYS A 45 2.272 -14.582 -0.393 1.00 0.00 C ATOM 638 O LYS A 45 2.016 -13.934 -1.406 1.00 0.00 O ATOM 639 CB LYS A 45 2.290 -12.997 1.620 1.00 0.00 C ATOM 640 CG LYS A 45 1.402 -11.757 1.496 1.00 0.00 C ATOM 641 CD LYS A 45 1.535 -10.862 2.729 1.00 0.00 C ATOM 642 CE LYS A 45 2.965 -10.339 2.876 1.00 0.00 C ATOM 643 NZ LYS A 45 3.326 -10.210 4.305 1.00 0.00 N ATOM 0 H LYS A 45 2.232 -15.233 2.678 1.00 0.00 H new ATOM 0 HA LYS A 45 0.609 -13.915 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.472 -13.214 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.260 -12.801 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.678 -11.196 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.362 -12.061 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.844 -10.023 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.256 -11.422 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.659 -11.017 2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.057 -9.371 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.300 -9.854 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.674 -9.545 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.258 -11.140 4.766 1.00 0.00 H new ATOM 657 N LYS A 46 3.087 -15.626 -0.355 1.00 0.00 N ATOM 658 CA LYS A 46 3.759 -16.094 -1.556 1.00 0.00 C ATOM 659 C LYS A 46 2.892 -17.153 -2.240 1.00 0.00 C ATOM 660 O LYS A 46 3.006 -17.369 -3.446 1.00 0.00 O ATOM 661 CB LYS A 46 5.173 -16.576 -1.225 1.00 0.00 C ATOM 662 CG LYS A 46 5.868 -17.131 -2.470 1.00 0.00 C ATOM 663 CD LYS A 46 6.506 -16.007 -3.289 1.00 0.00 C ATOM 664 CE LYS A 46 7.859 -15.601 -2.701 1.00 0.00 C ATOM 665 NZ LYS A 46 8.465 -14.512 -3.500 1.00 0.00 N ATOM 0 H LYS A 46 3.297 -16.161 0.488 1.00 0.00 H new ATOM 0 HA LYS A 46 3.884 -15.277 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.756 -15.751 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.128 -17.347 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.633 -17.849 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.146 -17.669 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.637 -16.333 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.840 -15.144 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.731 -15.275 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.527 -16.462 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.396 -14.815 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.848 -14.288 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.578 -13.666 -2.905 1.00 0.00 H new ATOM 679 N ALA A 47 2.046 -17.786 -1.441 1.00 0.00 N ATOM 680 CA ALA A 47 1.160 -18.817 -1.954 1.00 0.00 C ATOM 681 C ALA A 47 0.446 -18.294 -3.203 1.00 0.00 C ATOM 682 O ALA A 47 0.592 -18.857 -4.287 1.00 0.00 O ATOM 683 CB ALA A 47 0.182 -19.242 -0.858 1.00 0.00 C ATOM 0 H ALA A 47 1.955 -17.605 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 47 1.727 -19.701 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.482 -20.015 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.738 -19.633 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.408 -18.381 -0.543 1.00 0.00 H new ATOM 689 N ASP A 48 -0.311 -17.225 -3.008 1.00 0.00 N ATOM 690 CA ASP A 48 -1.048 -16.620 -4.105 1.00 0.00 C ATOM 691 C ASP A 48 -1.472 -15.205 -3.709 1.00 0.00 C ATOM 692 O ASP A 48 -2.638 -14.838 -3.855 1.00 0.00 O ATOM 693 CB ASP A 48 -2.312 -17.420 -4.426 1.00 0.00 C ATOM 694 CG ASP A 48 -2.829 -17.267 -5.858 1.00 0.00 C ATOM 695 OD1 ASP A 48 -2.042 -16.774 -6.695 1.00 0.00 O ATOM 696 OD2 ASP A 48 -3.998 -17.645 -6.083 1.00 0.00 O ATOM 0 H ASP A 48 -0.430 -16.762 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.399 -16.605 -4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.113 -18.475 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.100 -17.117 -3.737 1.00 0.00 H new ATOM 701 N CYS A 49 -0.504 -14.447 -3.216 1.00 0.00 N ATOM 702 CA CYS A 49 -0.762 -13.079 -2.799 1.00 0.00 C ATOM 703 C CYS A 49 0.398 -12.204 -3.276 1.00 0.00 C ATOM 704 O CYS A 49 0.618 -11.116 -2.746 1.00 0.00 O ATOM 705 CB CYS A 49 -0.969 -12.979 -1.286 1.00 0.00 C ATOM 706 SG CYS A 49 -1.689 -14.471 -0.509 1.00 0.00 S ATOM 0 H CYS A 49 0.461 -14.754 -3.096 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.690 -12.727 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.009 -12.769 -0.815 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.619 -12.129 -1.078 1.00 0.00 H new ATOM 711 N GLU A 50 1.111 -12.712 -4.271 1.00 0.00 N ATOM 712 CA GLU A 50 2.243 -11.990 -4.825 1.00 0.00 C ATOM 713 C GLU A 50 1.759 -10.883 -5.764 1.00 0.00 C ATOM 714 O GLU A 50 2.178 -9.733 -5.642 1.00 0.00 O ATOM 715 CB GLU A 50 3.200 -12.941 -5.546 1.00 0.00 C ATOM 716 CG GLU A 50 4.441 -13.218 -4.696 1.00 0.00 C ATOM 717 CD GLU A 50 5.702 -13.254 -5.562 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.973 -12.222 -6.213 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.367 -14.312 -5.552 1.00 0.00 O ATOM 0 H GLU A 50 0.926 -13.615 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 50 2.792 -11.529 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.689 -13.878 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.498 -12.508 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.542 -12.447 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.325 -14.169 -4.176 1.00 0.00 H new ATOM 726 N PRO A 51 0.860 -11.279 -6.704 1.00 0.00 N ATOM 727 CA PRO A 51 0.314 -10.334 -7.664 1.00 0.00 C ATOM 728 C PRO A 51 -0.724 -9.423 -7.006 1.00 0.00 C ATOM 729 O PRO A 51 -0.982 -8.321 -7.488 1.00 0.00 O ATOM 730 CB PRO A 51 -0.269 -11.193 -8.774 1.00 0.00 C ATOM 731 CG PRO A 51 -0.443 -12.581 -8.180 1.00 0.00 C ATOM 732 CD PRO A 51 0.341 -12.633 -6.878 1.00 0.00 C ATOM 0 HA PRO A 51 1.068 -9.653 -8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.223 -10.793 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.395 -11.218 -9.638 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.498 -12.789 -7.999 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.082 -13.341 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.297 -12.923 -6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.149 -13.363 -6.931 1.00 0.00 H new ATOM 740 N GLN A 52 -1.291 -9.916 -5.915 1.00 0.00 N ATOM 741 CA GLN A 52 -2.295 -9.160 -5.186 1.00 0.00 C ATOM 742 C GLN A 52 -1.631 -8.061 -4.354 1.00 0.00 C ATOM 743 O GLN A 52 -2.036 -6.901 -4.415 1.00 0.00 O ATOM 744 CB GLN A 52 -3.141 -10.080 -4.303 1.00 0.00 C ATOM 745 CG GLN A 52 -3.730 -11.232 -5.119 1.00 0.00 C ATOM 746 CD GLN A 52 -4.292 -12.321 -4.203 1.00 0.00 C ATOM 747 OE1 GLN A 52 -4.293 -12.207 -2.988 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.768 -13.381 -4.851 1.00 0.00 N ATOM 0 H GLN A 52 -1.074 -10.830 -5.518 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.962 -8.690 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.528 -10.478 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.946 -9.508 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.520 -10.855 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.961 -11.656 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.737 -13.412 -5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.164 -14.162 -4.329 1.00 0.00 H new ATOM 757 N ASP A 53 -0.623 -8.464 -3.595 1.00 0.00 N ATOM 758 CA ASP A 53 0.101 -7.528 -2.752 1.00 0.00 C ATOM 759 C ASP A 53 0.719 -6.434 -3.626 1.00 0.00 C ATOM 760 O ASP A 53 0.794 -5.277 -3.216 1.00 0.00 O ATOM 761 CB ASP A 53 1.234 -8.228 -1.999 1.00 0.00 C ATOM 762 CG ASP A 53 1.742 -7.486 -0.761 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.168 -6.416 -0.465 1.00 0.00 O ATOM 764 OD2 ASP A 53 2.693 -8.007 -0.138 1.00 0.00 O ATOM 0 H ASP A 53 -0.290 -9.427 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.603 -7.106 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.892 -9.218 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.069 -8.375 -2.684 1.00 0.00 H new ATOM 769 N LYS A 54 1.145 -6.840 -4.813 1.00 0.00 N ATOM 770 CA LYS A 54 1.754 -5.908 -5.747 1.00 0.00 C ATOM 771 C LYS A 54 0.730 -4.840 -6.136 1.00 0.00 C ATOM 772 O LYS A 54 0.965 -3.649 -5.938 1.00 0.00 O ATOM 773 CB LYS A 54 2.344 -6.658 -6.943 1.00 0.00 C ATOM 774 CG LYS A 54 3.701 -7.272 -6.591 1.00 0.00 C ATOM 775 CD LYS A 54 4.366 -7.878 -7.828 1.00 0.00 C ATOM 776 CE LYS A 54 5.320 -9.009 -7.438 1.00 0.00 C ATOM 777 NZ LYS A 54 6.618 -8.855 -8.133 1.00 0.00 N ATOM 0 H LYS A 54 1.081 -7.801 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 54 2.592 -5.391 -5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.657 -7.443 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.457 -5.975 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.350 -6.508 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.570 -8.042 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.602 -8.259 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.914 -7.105 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.476 -9.006 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.876 -9.971 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.254 -9.631 -7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.466 -8.881 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.047 -7.945 -7.869 1.00 0.00 H new ATOM 791 N VAL A 55 -0.384 -5.305 -6.682 1.00 0.00 N ATOM 792 CA VAL A 55 -1.445 -4.404 -7.101 1.00 0.00 C ATOM 793 C VAL A 55 -1.745 -3.417 -5.970 1.00 0.00 C ATOM 794 O VAL A 55 -1.998 -2.240 -6.220 1.00 0.00 O ATOM 795 CB VAL A 55 -2.672 -5.207 -7.535 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.863 -4.285 -7.804 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.358 -6.069 -8.760 1.00 0.00 C ATOM 0 H VAL A 55 -0.575 -6.294 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.132 -3.821 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.943 -5.874 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.722 -4.881 -8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.109 -3.734 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.607 -3.582 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.247 -6.630 -9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.050 -5.428 -9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.553 -6.764 -8.519 1.00 0.00 H new ATOM 807 N CYS A 56 -1.708 -3.935 -4.751 1.00 0.00 N ATOM 808 CA CYS A 56 -1.973 -3.114 -3.582 1.00 0.00 C ATOM 809 C CYS A 56 -0.786 -2.170 -3.378 1.00 0.00 C ATOM 810 O CYS A 56 -0.953 -0.952 -3.364 1.00 0.00 O ATOM 811 CB CYS A 56 -2.243 -3.968 -2.341 1.00 0.00 C ATOM 812 SG CYS A 56 -2.369 -3.029 -0.775 1.00 0.00 S ATOM 0 H CYS A 56 -1.499 -4.912 -4.548 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.878 -2.528 -3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.170 -4.521 -2.492 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.445 -4.704 -2.243 1.00 0.00 H new ATOM 817 N ASP A 57 0.385 -2.769 -3.224 1.00 0.00 N ATOM 818 CA ASP A 57 1.600 -1.997 -3.022 1.00 0.00 C ATOM 819 C ASP A 57 1.579 -0.773 -3.939 1.00 0.00 C ATOM 820 O ASP A 57 1.906 0.333 -3.511 1.00 0.00 O ATOM 821 CB ASP A 57 2.841 -2.824 -3.364 1.00 0.00 C ATOM 822 CG ASP A 57 3.714 -3.205 -2.167 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.502 -2.333 -1.740 1.00 0.00 O ATOM 824 OD2 ASP A 57 3.575 -4.358 -1.707 1.00 0.00 O ATOM 0 H ASP A 57 0.519 -3.780 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 57 1.642 -1.701 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.523 -3.737 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.449 -2.263 -4.074 1.00 0.00 H new ATOM 829 N ALA A 58 1.192 -1.011 -5.183 1.00 0.00 N ATOM 830 CA ALA A 58 1.125 0.058 -6.164 1.00 0.00 C ATOM 831 C ALA A 58 0.225 1.176 -5.633 1.00 0.00 C ATOM 832 O ALA A 58 0.677 2.305 -5.446 1.00 0.00 O ATOM 833 CB ALA A 58 0.630 -0.503 -7.499 1.00 0.00 C ATOM 0 H ALA A 58 0.921 -1.930 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 58 2.114 0.483 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.580 0.300 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.318 -1.273 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.361 -0.936 -7.366 1.00 0.00 H new ATOM 839 N CYS A 59 -1.031 0.823 -5.404 1.00 0.00 N ATOM 840 CA CYS A 59 -1.998 1.782 -4.897 1.00 0.00 C ATOM 841 C CYS A 59 -1.354 2.547 -3.740 1.00 0.00 C ATOM 842 O CYS A 59 -1.258 3.773 -3.778 1.00 0.00 O ATOM 843 CB CYS A 59 -3.302 1.102 -4.476 1.00 0.00 C ATOM 844 SG CYS A 59 -4.638 2.247 -3.975 1.00 0.00 S ATOM 0 H CYS A 59 -1.402 -0.114 -5.560 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.269 2.482 -5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.659 0.489 -5.304 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.092 0.426 -3.647 1.00 0.00 H new ATOM 849 N ARG A 60 -0.929 1.793 -2.737 1.00 0.00 N ATOM 850 CA ARG A 60 -0.297 2.385 -1.571 1.00 0.00 C ATOM 851 C ARG A 60 0.892 3.251 -1.993 1.00 0.00 C ATOM 852 O ARG A 60 1.120 4.318 -1.426 1.00 0.00 O ATOM 853 CB ARG A 60 0.187 1.306 -0.599 1.00 0.00 C ATOM 854 CG ARG A 60 -0.994 0.542 0.003 1.00 0.00 C ATOM 855 CD ARG A 60 -0.798 0.324 1.505 1.00 0.00 C ATOM 856 NE ARG A 60 -1.817 -0.619 2.017 1.00 0.00 N ATOM 857 CZ ARG A 60 -1.685 -1.952 1.995 1.00 0.00 C ATOM 858 NH1 ARG A 60 -0.577 -2.507 1.486 1.00 0.00 N ATOM 859 NH2 ARG A 60 -2.661 -2.731 2.482 1.00 0.00 N ATOM 0 H ARG A 60 -1.010 0.777 -2.708 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.041 3.003 -1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.847 0.612 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.772 1.765 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.916 1.096 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.102 -0.421 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.201 -0.068 1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.874 1.275 2.032 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.673 -0.230 2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.166 -1.915 1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.476 -3.522 1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.505 -2.309 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.560 -3.746 2.465 1.00 0.00 H new ATOM 873 N MET A 61 1.618 2.759 -2.986 1.00 0.00 N ATOM 874 CA MET A 61 2.778 3.474 -3.490 1.00 0.00 C ATOM 875 C MET A 61 2.362 4.775 -4.181 1.00 0.00 C ATOM 876 O MET A 61 2.860 5.848 -3.843 1.00 0.00 O ATOM 877 CB MET A 61 3.532 2.588 -4.483 1.00 0.00 C ATOM 878 CG MET A 61 4.430 3.427 -5.395 1.00 0.00 C ATOM 879 SD MET A 61 6.010 2.622 -5.604 1.00 0.00 S ATOM 880 CE MET A 61 5.669 1.643 -7.057 1.00 0.00 C ATOM 0 H MET A 61 1.425 1.874 -3.455 1.00 0.00 H new ATOM 0 HA MET A 61 3.423 3.722 -2.647 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.136 1.861 -3.941 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.820 2.024 -5.086 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.951 3.564 -6.365 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.572 4.419 -4.967 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.557 1.072 -7.328 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.847 0.958 -6.849 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.394 2.300 -7.882 1.00 0.00 H new ATOM 890 N LYS A 62 1.454 4.636 -5.135 1.00 0.00 N ATOM 891 CA LYS A 62 0.965 5.787 -5.876 1.00 0.00 C ATOM 892 C LYS A 62 0.280 6.756 -4.910 1.00 0.00 C ATOM 893 O LYS A 62 0.583 7.948 -4.903 1.00 0.00 O ATOM 894 CB LYS A 62 0.071 5.339 -7.034 1.00 0.00 C ATOM 895 CG LYS A 62 0.818 5.424 -8.367 1.00 0.00 C ATOM 896 CD LYS A 62 1.893 4.340 -8.464 1.00 0.00 C ATOM 897 CE LYS A 62 2.716 4.497 -9.744 1.00 0.00 C ATOM 898 NZ LYS A 62 3.073 3.171 -10.297 1.00 0.00 N ATOM 0 H LYS A 62 1.044 3.744 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 62 1.795 6.325 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.264 4.316 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.821 5.964 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.112 5.316 -9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.278 6.407 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.550 4.396 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.425 3.356 -8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.148 5.064 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.622 5.066 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.631 3.296 -11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.633 2.643 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.205 2.641 -10.517 1.00 0.00 H new ATOM 912 N CYS A 63 -0.630 6.208 -4.118 1.00 0.00 N ATOM 913 CA CYS A 63 -1.360 7.009 -3.151 1.00 0.00 C ATOM 914 C CYS A 63 -0.349 7.819 -2.337 1.00 0.00 C ATOM 915 O CYS A 63 -0.555 9.006 -2.089 1.00 0.00 O ATOM 916 CB CYS A 63 -2.250 6.144 -2.257 1.00 0.00 C ATOM 917 SG CYS A 63 -3.639 7.035 -1.464 1.00 0.00 S ATOM 0 H CYS A 63 -0.878 5.219 -4.127 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.033 7.689 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.655 5.326 -2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.633 5.696 -1.479 1.00 0.00 H new ATOM 922 N HIS A 64 0.722 7.146 -1.944 1.00 0.00 N ATOM 923 CA HIS A 64 1.765 7.788 -1.164 1.00 0.00 C ATOM 924 C HIS A 64 2.129 9.131 -1.800 1.00 0.00 C ATOM 925 O HIS A 64 2.173 10.154 -1.117 1.00 0.00 O ATOM 926 CB HIS A 64 2.972 6.861 -1.004 1.00 0.00 C ATOM 927 CG HIS A 64 3.528 6.813 0.400 1.00 0.00 C ATOM 928 ND1 HIS A 64 4.815 7.213 0.711 1.00 0.00 N ATOM 929 CD2 HIS A 64 2.957 6.409 1.571 1.00 0.00 C ATOM 930 CE1 HIS A 64 5.001 7.052 2.013 1.00 0.00 C ATOM 931 NE2 HIS A 64 3.848 6.553 2.544 1.00 0.00 N ATOM 0 H HIS A 64 0.890 6.162 -2.152 1.00 0.00 H new ATOM 0 HA HIS A 64 1.399 7.990 -0.157 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.686 5.853 -1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.759 7.185 -1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.950 6.035 1.687 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.906 7.276 2.558 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.696 6.328 3.527 1.00 0.00 H new ATOM 939 N LYS A 65 2.380 9.085 -3.100 1.00 0.00 N ATOM 940 CA LYS A 65 2.739 10.285 -3.836 1.00 0.00 C ATOM 941 C LYS A 65 1.477 11.105 -4.111 1.00 0.00 C ATOM 942 O LYS A 65 1.438 12.303 -3.835 1.00 0.00 O ATOM 943 CB LYS A 65 3.526 9.925 -5.097 1.00 0.00 C ATOM 944 CG LYS A 65 3.320 10.976 -6.191 1.00 0.00 C ATOM 945 CD LYS A 65 4.082 10.600 -7.463 1.00 0.00 C ATOM 946 CE LYS A 65 3.118 10.322 -8.618 1.00 0.00 C ATOM 947 NZ LYS A 65 2.984 11.518 -9.480 1.00 0.00 N ATOM 0 H LYS A 65 2.342 8.235 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 65 3.404 10.912 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.587 9.847 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.208 8.948 -5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.257 11.070 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.659 11.949 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.760 11.408 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.695 9.719 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.481 9.480 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.142 10.039 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.326 11.313 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.617 12.312 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.914 11.771 -9.870 1.00 0.00 H new ATOM 961 N ALA A 66 0.476 10.427 -4.653 1.00 0.00 N ATOM 962 CA ALA A 66 -0.784 11.078 -4.969 1.00 0.00 C ATOM 963 C ALA A 66 -1.235 11.916 -3.771 1.00 0.00 C ATOM 964 O ALA A 66 -1.842 12.973 -3.941 1.00 0.00 O ATOM 965 CB ALA A 66 -1.819 10.022 -5.365 1.00 0.00 C ATOM 0 H ALA A 66 0.512 9.434 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.665 11.753 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.764 10.510 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.464 9.474 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.966 9.329 -4.537 1.00 0.00 H new ATOM 971 N CYS A 67 -0.922 11.413 -2.586 1.00 0.00 N ATOM 972 CA CYS A 67 -1.287 12.102 -1.360 1.00 0.00 C ATOM 973 C CYS A 67 -0.292 13.242 -1.135 1.00 0.00 C ATOM 974 O CYS A 67 -0.668 14.316 -0.668 1.00 0.00 O ATOM 975 CB CYS A 67 -1.338 11.146 -0.167 1.00 0.00 C ATOM 976 SG CYS A 67 -2.539 11.606 1.135 1.00 0.00 S ATOM 0 H CYS A 67 -0.419 10.536 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.292 12.512 -1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.582 10.147 -0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.345 11.090 0.278 1.00 0.00 H new ATOM 981 N ARG A 68 0.959 12.970 -1.478 1.00 0.00 N ATOM 982 CA ARG A 68 2.011 13.959 -1.319 1.00 0.00 C ATOM 983 C ARG A 68 1.692 15.210 -2.141 1.00 0.00 C ATOM 984 O ARG A 68 1.807 16.329 -1.645 1.00 0.00 O ATOM 985 CB ARG A 68 3.365 13.400 -1.760 1.00 0.00 C ATOM 986 CG ARG A 68 4.467 14.450 -1.610 1.00 0.00 C ATOM 987 CD ARG A 68 5.584 14.221 -2.630 1.00 0.00 C ATOM 988 NE ARG A 68 5.677 15.378 -3.548 1.00 0.00 N ATOM 989 CZ ARG A 68 4.983 15.490 -4.689 1.00 0.00 C ATOM 990 NH1 ARG A 68 4.142 14.515 -5.060 1.00 0.00 N ATOM 991 NH2 ARG A 68 5.131 16.577 -5.459 1.00 0.00 N ATOM 0 H ARG A 68 1.267 12.078 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 68 2.065 14.218 -0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.611 12.521 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.307 13.074 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.046 15.446 -1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.877 14.410 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.534 14.078 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.389 13.311 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 68 6.309 16.138 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.030 13.688 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.614 14.600 -5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.772 17.319 -5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.603 16.663 -6.327 1.00 0.00 H new ATOM 1005 N ALA A 69 1.296 14.977 -3.384 1.00 0.00 N ATOM 1006 CA ALA A 69 0.960 16.071 -4.280 1.00 0.00 C ATOM 1007 C ALA A 69 -0.396 16.655 -3.877 1.00 0.00 C ATOM 1008 O ALA A 69 -0.796 17.706 -4.376 1.00 0.00 O ATOM 1009 CB ALA A 69 0.973 15.570 -5.725 1.00 0.00 C ATOM 0 H ALA A 69 1.200 14.047 -3.792 1.00 0.00 H new ATOM 0 HA ALA A 69 1.698 16.869 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.721 16.390 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.966 15.192 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.242 14.770 -5.839 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.065 15.948 -2.979 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.368 16.384 -2.503 1.00 0.00 C ATOM 1017 C ALA A 70 -2.194 17.613 -1.609 1.00 0.00 C ATOM 1018 O ALA A 70 -2.622 18.710 -1.966 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.059 15.228 -1.778 1.00 0.00 C ATOM 0 H ALA A 70 -0.730 15.077 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.006 16.672 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.036 15.554 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.185 14.391 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.450 14.914 -0.931 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.567 17.389 -0.464 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.332 18.464 0.484 1.00 0.00 C ATOM 1027 C ASN A 71 0.113 18.951 0.349 1.00 0.00 C ATOM 1028 O ASN A 71 0.353 20.099 -0.020 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.537 17.986 1.922 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.992 17.575 2.161 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -3.833 18.369 2.550 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.241 16.293 1.907 1.00 0.00 N ATOM 0 H ASN A 71 -1.214 16.478 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.039 19.265 0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.879 17.142 2.126 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.261 18.780 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.182 15.921 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.491 15.682 1.584 1.00 0.00 H new ATOM 1039 N CYS A 72 1.037 18.052 0.657 1.00 0.00 N ATOM 1040 CA CYS A 72 2.451 18.375 0.575 1.00 0.00 C ATOM 1041 C CYS A 72 2.750 18.869 -0.842 1.00 0.00 C ATOM 1042 O CYS A 72 1.883 18.827 -1.714 1.00 0.00 O ATOM 1043 CB CYS A 72 3.327 17.181 0.959 1.00 0.00 C ATOM 1044 SG CYS A 72 3.120 16.601 2.683 1.00 0.00 S ATOM 0 H CYS A 72 0.834 17.101 0.964 1.00 0.00 H new ATOM 0 HA CYS A 72 2.689 19.162 1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.107 16.354 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.372 17.450 0.804 1.00 0.00 H new ATOM 1049 N ALA A 73 3.980 19.325 -1.029 1.00 0.00 N ATOM 1050 CA ALA A 73 4.403 19.827 -2.325 1.00 0.00 C ATOM 1051 C ALA A 73 5.821 20.392 -2.210 1.00 0.00 C ATOM 1052 O ALA A 73 6.694 20.053 -3.007 1.00 0.00 O ATOM 1053 CB ALA A 73 3.399 20.868 -2.823 1.00 0.00 C ATOM 0 H ALA A 73 4.697 19.357 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 73 4.427 19.022 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.717 21.244 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.415 20.409 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.349 21.694 -2.113 1.00 0.00 H new ATOM 1059 N SER A 74 6.005 21.243 -1.211 1.00 0.00 N ATOM 1060 CA SER A 74 7.301 21.858 -0.982 1.00 0.00 C ATOM 1061 C SER A 74 8.072 21.073 0.082 1.00 0.00 C ATOM 1062 O SER A 74 9.278 20.869 -0.044 1.00 0.00 O ATOM 1063 CB SER A 74 7.150 23.320 -0.557 1.00 0.00 C ATOM 1064 OG SER A 74 7.681 24.216 -1.530 1.00 0.00 O ATOM 0 H SER A 74 5.278 21.521 -0.551 1.00 0.00 H new ATOM 0 HA SER A 74 7.860 21.836 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.095 23.544 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.658 23.475 0.395 1.00 0.00 H new ATOM 0 HG SER A 74 7.564 25.139 -1.223 1.00 0.00 H new ATOM 1070 N GLU A 75 7.343 20.654 1.107 1.00 0.00 N ATOM 1071 CA GLU A 75 7.942 19.897 2.192 1.00 0.00 C ATOM 1072 C GLU A 75 8.742 18.717 1.637 1.00 0.00 C ATOM 1073 O GLU A 75 9.629 18.192 2.309 1.00 0.00 O ATOM 1074 CB GLU A 75 6.877 19.420 3.181 1.00 0.00 C ATOM 1075 CG GLU A 75 6.443 20.557 4.109 1.00 0.00 C ATOM 1076 CD GLU A 75 5.257 21.323 3.520 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.499 20.692 2.753 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.136 22.522 3.850 1.00 0.00 O ATOM 0 H GLU A 75 6.343 20.825 1.208 1.00 0.00 H new ATOM 0 HA GLU A 75 8.625 20.552 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.013 19.041 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.269 18.593 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.171 20.152 5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.278 21.239 4.269 1.00 0.00 H new ATOM 1085 N CYS A 76 8.401 18.334 0.415 1.00 0.00 N ATOM 1086 CA CYS A 76 9.076 17.226 -0.238 1.00 0.00 C ATOM 1087 C CYS A 76 9.583 17.707 -1.599 1.00 0.00 C ATOM 1088 O CYS A 76 8.810 17.821 -2.549 1.00 0.00 O ATOM 1089 CB CYS A 76 8.164 16.005 -0.368 1.00 0.00 C ATOM 1090 SG CYS A 76 6.984 15.778 1.012 1.00 0.00 S ATOM 0 H CYS A 76 7.666 18.772 -0.140 1.00 0.00 H new ATOM 0 HA CYS A 76 9.921 16.903 0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.602 16.086 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.785 15.112 -0.447 1.00 0.00 H new ATOM 1095 N PRO A 77 10.914 17.984 -1.652 1.00 0.00 N ATOM 1096 CA PRO A 77 11.533 18.450 -2.881 1.00 0.00 C ATOM 1097 C PRO A 77 11.696 17.304 -3.882 1.00 0.00 C ATOM 1098 O PRO A 77 11.184 16.207 -3.664 1.00 0.00 O ATOM 1099 CB PRO A 77 12.859 19.054 -2.449 1.00 0.00 C ATOM 1100 CG PRO A 77 13.142 18.492 -1.066 1.00 0.00 C ATOM 1101 CD PRO A 77 11.860 17.860 -0.548 1.00 0.00 C ATOM 0 HA PRO A 77 10.925 19.189 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.654 18.792 -3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.803 20.142 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 77 13.941 17.752 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.477 19.282 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.015 16.816 -0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.498 18.372 0.343 1.00 0.00 H new ATOM 1109 N LYS A 78 12.412 17.598 -4.958 1.00 0.00 N ATOM 1110 CA LYS A 78 12.649 16.606 -5.992 1.00 0.00 C ATOM 1111 C LYS A 78 13.235 15.343 -5.358 1.00 0.00 C ATOM 1112 O LYS A 78 12.815 14.231 -5.677 1.00 0.00 O ATOM 1113 CB LYS A 78 13.516 17.192 -7.108 1.00 0.00 C ATOM 1114 CG LYS A 78 13.231 16.503 -8.444 1.00 0.00 C ATOM 1115 CD LYS A 78 14.483 16.468 -9.322 1.00 0.00 C ATOM 1116 CE LYS A 78 14.831 15.034 -9.725 1.00 0.00 C ATOM 1117 NZ LYS A 78 14.380 14.761 -11.108 1.00 0.00 N ATOM 0 H LYS A 78 12.835 18.509 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 78 11.710 16.319 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.325 18.261 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.570 17.077 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.880 15.487 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.432 17.030 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.322 17.071 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.321 16.912 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.907 14.880 -9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.360 14.332 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.624 13.783 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.350 14.888 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.849 15.419 -11.762 1.00 0.00 H new ATOM 1131 N HIS A 79 14.195 15.556 -4.471 1.00 0.00 N ATOM 1132 CA HIS A 79 14.843 14.449 -3.788 1.00 0.00 C ATOM 1133 C HIS A 79 14.120 14.165 -2.470 1.00 0.00 C ATOM 1134 O HIS A 79 13.110 14.795 -2.164 1.00 0.00 O ATOM 1135 CB HIS A 79 16.336 14.726 -3.598 1.00 0.00 C ATOM 1136 CG HIS A 79 17.231 13.582 -4.011 1.00 0.00 C ATOM 1137 ND1 HIS A 79 18.606 13.616 -3.865 1.00 0.00 N ATOM 1138 CD2 HIS A 79 16.932 12.373 -4.566 1.00 0.00 C ATOM 1139 CE1 HIS A 79 19.103 12.474 -4.315 1.00 0.00 C ATOM 1140 NE2 HIS A 79 18.064 11.704 -4.750 1.00 0.00 N ATOM 0 H HIS A 79 14.540 16.479 -4.209 1.00 0.00 H new ATOM 0 HA HIS A 79 14.775 13.550 -4.400 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.607 15.611 -4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.521 14.958 -2.549 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.942 12.019 -4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.148 12.200 -4.334 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.144 10.769 -5.150 1.00 0.00 H new ATOM 1148 N GLU A 80 14.666 13.215 -1.726 1.00 0.00 N ATOM 1149 CA GLU A 80 14.086 12.839 -0.447 1.00 0.00 C ATOM 1150 C GLU A 80 12.687 12.254 -0.651 1.00 0.00 C ATOM 1151 O GLU A 80 11.836 12.878 -1.283 1.00 0.00 O ATOM 1152 CB GLU A 80 14.048 14.033 0.509 1.00 0.00 C ATOM 1153 CG GLU A 80 15.082 13.874 1.626 1.00 0.00 C ATOM 1154 CD GLU A 80 16.480 13.644 1.050 1.00 0.00 C ATOM 1155 OE1 GLU A 80 17.043 14.626 0.519 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.955 12.493 1.153 1.00 0.00 O ATOM 0 H GLU A 80 15.504 12.694 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 80 14.716 12.073 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.243 14.952 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.052 14.126 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.085 14.766 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.806 13.036 2.265 1.00 0.00 H new ATOM 1163 N HIS A 81 12.493 11.064 -0.104 1.00 0.00 N ATOM 1164 CA HIS A 81 11.212 10.388 -0.217 1.00 0.00 C ATOM 1165 C HIS A 81 10.473 10.459 1.121 1.00 0.00 C ATOM 1166 O HIS A 81 9.253 10.612 1.154 1.00 0.00 O ATOM 1167 CB HIS A 81 11.396 8.953 -0.717 1.00 0.00 C ATOM 1168 CG HIS A 81 12.585 8.242 -0.116 1.00 0.00 C ATOM 1169 ND1 HIS A 81 12.459 7.163 0.742 1.00 0.00 N ATOM 1170 CD2 HIS A 81 13.923 8.466 -0.258 1.00 0.00 C ATOM 1171 CE1 HIS A 81 13.672 6.764 1.094 1.00 0.00 C ATOM 1172 NE2 HIS A 81 14.578 7.573 0.474 1.00 0.00 N ATOM 0 H HIS A 81 13.202 10.550 0.419 1.00 0.00 H new ATOM 0 HA HIS A 81 10.595 10.894 -0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.494 8.383 -0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.504 8.968 -1.802 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.373 9.239 -0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.903 5.942 1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 81 15.592 7.503 0.559 1.00 0.00 H new ATOM 1180 N LYS A 82 11.244 10.345 2.192 1.00 0.00 N ATOM 1181 CA LYS A 82 10.679 10.395 3.530 1.00 0.00 C ATOM 1182 C LYS A 82 11.509 11.345 4.395 1.00 0.00 C ATOM 1183 O LYS A 82 12.080 10.933 5.404 1.00 0.00 O ATOM 1184 CB LYS A 82 10.553 8.985 4.111 1.00 0.00 C ATOM 1185 CG LYS A 82 11.903 8.266 4.102 1.00 0.00 C ATOM 1186 CD LYS A 82 12.146 7.538 5.425 1.00 0.00 C ATOM 1187 CE LYS A 82 12.506 6.070 5.186 1.00 0.00 C ATOM 1188 NZ LYS A 82 12.716 5.371 6.473 1.00 0.00 N ATOM 0 H LYS A 82 12.256 10.218 2.161 1.00 0.00 H new ATOM 0 HA LYS A 82 9.665 10.795 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.173 9.041 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.828 8.413 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.933 7.552 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.702 8.987 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.951 8.029 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.254 7.600 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.709 5.581 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.409 6.005 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.959 4.376 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.492 5.828 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.845 5.417 7.039 1.00 0.00 H new ATOM 1202 N SER A 83 11.551 12.599 3.969 1.00 0.00 N ATOM 1203 CA SER A 83 12.302 13.611 4.692 1.00 0.00 C ATOM 1204 C SER A 83 11.664 13.857 6.061 1.00 0.00 C ATOM 1205 O SER A 83 10.455 13.699 6.224 1.00 0.00 O ATOM 1206 CB SER A 83 12.374 14.916 3.897 1.00 0.00 C ATOM 1207 OG SER A 83 12.744 16.021 4.717 1.00 0.00 O ATOM 0 H SER A 83 11.077 12.937 3.132 1.00 0.00 H new ATOM 0 HA SER A 83 13.320 13.247 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.096 14.808 3.087 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.406 15.114 3.437 1.00 0.00 H new ATOM 0 HG SER A 83 13.088 16.745 4.154 1.00 0.00 H new ATOM 1213 N ASP A 84 12.506 14.241 7.009 1.00 0.00 N ATOM 1214 CA ASP A 84 12.039 14.511 8.359 1.00 0.00 C ATOM 1215 C ASP A 84 10.798 15.404 8.296 1.00 0.00 C ATOM 1216 O ASP A 84 9.799 15.132 8.960 1.00 0.00 O ATOM 1217 CB ASP A 84 13.107 15.242 9.175 1.00 0.00 C ATOM 1218 CG ASP A 84 12.603 15.890 10.466 1.00 0.00 C ATOM 1219 OD1 ASP A 84 12.266 15.121 11.392 1.00 0.00 O ATOM 1220 OD2 ASP A 84 12.567 17.139 10.499 1.00 0.00 O ATOM 0 H ASP A 84 13.508 14.372 6.870 1.00 0.00 H new ATOM 0 HA ASP A 84 11.812 13.557 8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.898 14.535 9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.555 16.014 8.550 1.00 0.00 H new ATOM 1225 N THR A 85 10.902 16.451 7.491 1.00 0.00 N ATOM 1226 CA THR A 85 9.801 17.385 7.332 1.00 0.00 C ATOM 1227 C THR A 85 8.664 16.739 6.538 1.00 0.00 C ATOM 1228 O THR A 85 7.502 16.817 6.935 1.00 0.00 O ATOM 1229 CB THR A 85 10.349 18.657 6.683 1.00 0.00 C ATOM 1230 OG1 THR A 85 9.272 19.586 6.773 1.00 0.00 O ATOM 1231 CG2 THR A 85 10.576 18.495 5.178 1.00 0.00 C ATOM 0 H THR A 85 11.732 16.673 6.942 1.00 0.00 H new ATOM 0 HA THR A 85 9.370 17.655 8.296 1.00 0.00 H new ATOM 0 HB THR A 85 11.287 18.934 7.164 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.543 20.440 6.376 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.965 19.426 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.293 17.693 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.632 18.250 4.692 1.00 0.00 H new ATOM 1239 N CYS A 86 9.038 16.116 5.430 1.00 0.00 N ATOM 1240 CA CYS A 86 8.064 15.457 4.577 1.00 0.00 C ATOM 1241 C CYS A 86 7.271 14.465 5.430 1.00 0.00 C ATOM 1242 O CYS A 86 6.061 14.612 5.596 1.00 0.00 O ATOM 1243 CB CYS A 86 8.730 14.775 3.380 1.00 0.00 C ATOM 1244 SG CYS A 86 7.575 14.207 2.079 1.00 0.00 S ATOM 0 H CYS A 86 10.002 16.054 5.103 1.00 0.00 H new ATOM 0 HA CYS A 86 7.384 16.198 4.157 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.443 15.469 2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.300 13.918 3.739 1.00 0.00 H new ATOM 1249 N ARG A 87 7.985 13.476 5.948 1.00 0.00 N ATOM 1250 CA ARG A 87 7.363 12.460 6.779 1.00 0.00 C ATOM 1251 C ARG A 87 6.296 13.089 7.677 1.00 0.00 C ATOM 1252 O ARG A 87 5.263 12.476 7.942 1.00 0.00 O ATOM 1253 CB ARG A 87 8.401 11.751 7.652 1.00 0.00 C ATOM 1254 CG ARG A 87 9.336 10.890 6.801 1.00 0.00 C ATOM 1255 CD ARG A 87 9.945 9.757 7.630 1.00 0.00 C ATOM 1256 NE ARG A 87 8.937 8.699 7.859 1.00 0.00 N ATOM 1257 CZ ARG A 87 8.995 7.809 8.859 1.00 0.00 C ATOM 1258 NH1 ARG A 87 10.014 7.845 9.729 1.00 0.00 N ATOM 1259 NH2 ARG A 87 8.035 6.883 8.990 1.00 0.00 N ATOM 0 H ARG A 87 8.988 13.357 5.808 1.00 0.00 H new ATOM 0 HA ARG A 87 6.900 11.728 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.983 12.489 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.896 11.127 8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.785 10.473 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.131 11.510 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.810 9.341 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.301 10.145 8.585 1.00 0.00 H new ATOM 0 HE ARG A 87 8.148 8.643 7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.745 8.550 9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.059 7.168 10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.259 6.855 8.328 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.080 6.206 9.752 1.00 0.00 H new ATOM 1273 N ALA A 88 6.583 14.304 8.121 1.00 0.00 N ATOM 1274 CA ALA A 88 5.661 15.023 8.984 1.00 0.00 C ATOM 1275 C ALA A 88 4.490 15.546 8.149 1.00 0.00 C ATOM 1276 O ALA A 88 3.346 15.148 8.360 1.00 0.00 O ATOM 1277 CB ALA A 88 6.408 16.145 9.708 1.00 0.00 C ATOM 0 H ALA A 88 7.441 14.809 7.899 1.00 0.00 H new ATOM 0 HA ALA A 88 5.252 14.359 9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.716 16.684 10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.210 15.719 10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.830 16.833 8.975 1.00 0.00 H new ATOM 1283 N CYS A 89 4.818 16.429 7.218 1.00 0.00 N ATOM 1284 CA CYS A 89 3.808 17.011 6.350 1.00 0.00 C ATOM 1285 C CYS A 89 2.890 15.889 5.862 1.00 0.00 C ATOM 1286 O CYS A 89 1.670 15.980 5.989 1.00 0.00 O ATOM 1287 CB CYS A 89 4.437 17.780 5.187 1.00 0.00 C ATOM 1288 SG CYS A 89 3.266 18.270 3.868 1.00 0.00 S ATOM 0 H CYS A 89 5.769 16.756 7.045 1.00 0.00 H new ATOM 0 HA CYS A 89 3.222 17.742 6.908 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.916 18.677 5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.222 17.166 4.746 1.00 0.00 H new ATOM 1293 N MET A 90 3.511 14.855 5.313 1.00 0.00 N ATOM 1294 CA MET A 90 2.765 13.717 4.806 1.00 0.00 C ATOM 1295 C MET A 90 1.761 13.212 5.844 1.00 0.00 C ATOM 1296 O MET A 90 0.682 12.740 5.491 1.00 0.00 O ATOM 1297 CB MET A 90 3.736 12.590 4.444 1.00 0.00 C ATOM 1298 CG MET A 90 4.502 12.918 3.161 1.00 0.00 C ATOM 1299 SD MET A 90 3.493 12.548 1.736 1.00 0.00 S ATOM 1300 CE MET A 90 3.240 10.798 1.982 1.00 0.00 C ATOM 0 H MET A 90 4.523 14.782 5.208 1.00 0.00 H new ATOM 0 HA MET A 90 2.214 14.033 3.920 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.439 12.434 5.262 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.186 11.658 4.315 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.783 13.971 3.154 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.426 12.342 3.122 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.336 10.279 1.028 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.986 10.417 2.679 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.243 10.628 2.389 1.00 0.00 H new ATOM 1310 N LYS A 91 2.153 13.329 7.105 1.00 0.00 N ATOM 1311 CA LYS A 91 1.301 12.890 8.197 1.00 0.00 C ATOM 1312 C LYS A 91 0.324 14.011 8.558 1.00 0.00 C ATOM 1313 O LYS A 91 -0.871 13.769 8.721 1.00 0.00 O ATOM 1314 CB LYS A 91 2.147 12.408 9.377 1.00 0.00 C ATOM 1315 CG LYS A 91 1.512 12.813 10.709 1.00 0.00 C ATOM 1316 CD LYS A 91 1.987 14.200 11.144 1.00 0.00 C ATOM 1317 CE LYS A 91 3.024 14.099 12.264 1.00 0.00 C ATOM 1318 NZ LYS A 91 3.400 15.446 12.746 1.00 0.00 N ATOM 0 H LYS A 91 3.049 13.721 7.394 1.00 0.00 H new ATOM 0 HA LYS A 91 0.703 12.031 7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.252 11.324 9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.150 12.828 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.426 12.810 10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.767 12.081 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.418 14.725 10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.136 14.790 11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.621 13.511 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.909 13.576 11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.105 15.359 13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.804 15.995 11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.556 15.932 13.111 1.00 0.00 H new ATOM 1332 N THR A 92 0.869 15.213 8.672 1.00 0.00 N ATOM 1333 CA THR A 92 0.061 16.372 9.010 1.00 0.00 C ATOM 1334 C THR A 92 -1.258 16.348 8.234 1.00 0.00 C ATOM 1335 O THR A 92 -2.264 16.883 8.697 1.00 0.00 O ATOM 1336 CB THR A 92 0.897 17.626 8.747 1.00 0.00 C ATOM 1337 OG1 THR A 92 1.759 17.712 9.878 1.00 0.00 O ATOM 1338 CG2 THR A 92 0.067 18.909 8.813 1.00 0.00 C ATOM 0 H THR A 92 1.861 15.409 8.536 1.00 0.00 H new ATOM 0 HA THR A 92 -0.217 16.365 10.064 1.00 0.00 H new ATOM 0 HB THR A 92 1.367 17.549 7.767 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.338 18.497 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.709 19.768 8.619 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.723 18.870 8.063 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.377 19.004 9.804 1.00 0.00 H new ATOM 1346 N ASN A 93 -1.210 15.721 7.068 1.00 0.00 N ATOM 1347 CA ASN A 93 -2.388 15.620 6.224 1.00 0.00 C ATOM 1348 C ASN A 93 -2.687 14.145 5.947 1.00 0.00 C ATOM 1349 O ASN A 93 -3.779 13.664 6.242 1.00 0.00 O ATOM 1350 CB ASN A 93 -2.164 16.317 4.880 1.00 0.00 C ATOM 1351 CG ASN A 93 -0.687 16.283 4.484 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.190 15.319 3.925 1.00 0.00 O ATOM 1353 ND2 ASN A 93 -0.015 17.385 4.804 1.00 0.00 N ATOM 0 H ASN A 93 -0.374 15.278 6.688 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.218 16.098 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.762 15.830 4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.504 17.351 4.941 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.978 17.460 4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.492 18.156 5.271 1.00 0.00 H new ATOM 1360 N CYS A 94 -1.696 13.469 5.383 1.00 0.00 N ATOM 1361 CA CYS A 94 -1.839 12.059 5.063 1.00 0.00 C ATOM 1362 C CYS A 94 -1.294 11.243 6.237 1.00 0.00 C ATOM 1363 O CYS A 94 -1.455 11.629 7.394 1.00 0.00 O ATOM 1364 CB CYS A 94 -1.142 11.704 3.749 1.00 0.00 C ATOM 1365 SG CYS A 94 -1.963 10.389 2.776 1.00 0.00 S ATOM 0 H CYS A 94 -0.791 13.872 5.140 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.892 11.822 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -1.075 12.602 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.121 11.391 3.968 1.00 0.00 H new ATOM 1370 N LYS A 95 -0.661 10.130 5.898 1.00 0.00 N ATOM 1371 CA LYS A 95 -0.091 9.255 6.910 1.00 0.00 C ATOM 1372 C LYS A 95 1.415 9.126 6.676 1.00 0.00 C ATOM 1373 O LYS A 95 1.875 8.142 6.099 1.00 0.00 O ATOM 1374 CB LYS A 95 -0.827 7.914 6.935 1.00 0.00 C ATOM 1375 CG LYS A 95 -0.079 6.894 7.796 1.00 0.00 C ATOM 1376 CD LYS A 95 -1.049 6.104 8.676 1.00 0.00 C ATOM 1377 CE LYS A 95 -0.312 5.430 9.836 1.00 0.00 C ATOM 1378 NZ LYS A 95 -0.915 5.820 11.130 1.00 0.00 N ATOM 0 H LYS A 95 -0.530 9.813 4.937 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.224 9.684 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.835 8.055 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.929 7.532 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.476 6.209 7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.651 7.407 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.817 6.771 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.558 5.349 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.353 4.347 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.741 5.712 9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.403 5.354 11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.853 6.852 11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.913 5.529 11.150 1.00 0.00 H new