USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, 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 71 ASN : amide:sc= -0.921 K(o=-1.5,f=-4.3!) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.551 X(o=-1.5,f=-1) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.366 X(o=-2.9,f=-2.7) USER MOD Set 2.2: A 90 MET CE :methyl 175:sc= -2.55! (180deg=-2.59!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 14 THR OG1 : rot 56:sc= 1.18 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 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 180:sc= 0.0218 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= 0.0442 USER MOD Single : A 43 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.2!) 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= -6.28! C(o=-6.3!,f=-10!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -175:sc= -18.4! USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.742) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.57 X(o=-0.57,f=-0.29) USER MOD Single : A 81 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.01) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -90:sc= -0.414 USER MOD Single : A 85 THR OG1 : rot -124:sc= 0.918 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 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -4.476 12.813 4.572 1.00 0.00 N ATOM 91 CA VAL A 7 -5.071 11.745 3.787 1.00 0.00 C ATOM 92 C VAL A 7 -4.470 10.405 4.219 1.00 0.00 C ATOM 93 O VAL A 7 -3.315 10.345 4.637 1.00 0.00 O ATOM 94 CB VAL A 7 -4.889 12.028 2.295 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.087 10.756 1.468 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.834 13.137 1.829 1.00 0.00 C ATOM 0 HA VAL A 7 -6.145 11.693 3.965 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.866 12.372 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.952 10.985 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.357 10.006 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.093 10.370 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.685 13.319 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.866 12.833 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.626 14.050 2.386 1.00 0.00 H new ATOM 106 N ASP A 8 -5.281 9.364 4.103 1.00 0.00 N ATOM 107 CA ASP A 8 -4.844 8.030 4.476 1.00 0.00 C ATOM 108 C ASP A 8 -4.481 7.245 3.214 1.00 0.00 C ATOM 109 O ASP A 8 -4.822 7.654 2.105 1.00 0.00 O ATOM 110 CB ASP A 8 -5.956 7.269 5.202 1.00 0.00 C ATOM 111 CG ASP A 8 -7.282 7.184 4.444 1.00 0.00 C ATOM 112 OD1 ASP A 8 -7.716 8.241 3.939 1.00 0.00 O ATOM 113 OD2 ASP A 8 -7.832 6.062 4.387 1.00 0.00 O ATOM 0 H ASP A 8 -6.239 9.418 3.756 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.983 8.130 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.608 6.257 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.135 7.748 6.165 1.00 0.00 H new ATOM 118 N CYS A 9 -3.793 6.132 3.425 1.00 0.00 N ATOM 119 CA CYS A 9 -3.380 5.287 2.318 1.00 0.00 C ATOM 120 C CYS A 9 -3.669 3.832 2.690 1.00 0.00 C ATOM 121 O CYS A 9 -4.259 3.092 1.905 1.00 0.00 O ATOM 122 CB CYS A 9 -1.908 5.503 1.960 1.00 0.00 C ATOM 123 SG CYS A 9 -1.561 7.042 1.032 1.00 0.00 S ATOM 0 H CYS A 9 -3.512 5.796 4.346 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.946 5.552 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.322 5.510 2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.564 4.654 1.369 1.00 0.00 H new ATOM 128 N LYS A 10 -3.240 3.465 3.889 1.00 0.00 N ATOM 129 CA LYS A 10 -3.445 2.111 4.375 1.00 0.00 C ATOM 130 C LYS A 10 -4.920 1.737 4.221 1.00 0.00 C ATOM 131 O LYS A 10 -5.247 0.736 3.585 1.00 0.00 O ATOM 132 CB LYS A 10 -2.922 1.971 5.806 1.00 0.00 C ATOM 133 CG LYS A 10 -1.487 1.439 5.815 1.00 0.00 C ATOM 134 CD LYS A 10 -1.341 0.272 6.795 1.00 0.00 C ATOM 135 CE LYS A 10 0.115 -0.189 6.885 1.00 0.00 C ATOM 136 NZ LYS A 10 0.183 -1.629 7.218 1.00 0.00 N ATOM 0 H LYS A 10 -2.751 4.082 4.538 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.871 1.401 3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.958 2.939 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.567 1.297 6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.210 1.114 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.800 2.239 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.692 0.575 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.970 -0.558 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.620 -0.005 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.640 0.391 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.178 -1.925 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.281 -1.796 8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.300 -2.179 6.480 1.00 0.00 H new ATOM 150 N GLY A 11 -5.772 2.560 4.814 1.00 0.00 N ATOM 151 CA GLY A 11 -7.205 2.328 4.750 1.00 0.00 C ATOM 152 C GLY A 11 -7.725 2.495 3.320 1.00 0.00 C ATOM 153 O GLY A 11 -8.363 1.593 2.779 1.00 0.00 O ATOM 0 H GLY A 11 -5.497 3.389 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.431 1.323 5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.720 3.025 5.412 1.00 0.00 H new ATOM 157 N GLN A 12 -7.432 3.654 2.750 1.00 0.00 N ATOM 158 CA GLN A 12 -7.861 3.951 1.394 1.00 0.00 C ATOM 159 C GLN A 12 -7.619 2.744 0.485 1.00 0.00 C ATOM 160 O GLN A 12 -8.440 2.439 -0.379 1.00 0.00 O ATOM 161 CB GLN A 12 -7.153 5.195 0.854 1.00 0.00 C ATOM 162 CG GLN A 12 -8.118 6.379 0.763 1.00 0.00 C ATOM 163 CD GLN A 12 -8.957 6.305 -0.515 1.00 0.00 C ATOM 164 OE1 GLN A 12 -9.832 5.469 -0.666 1.00 0.00 O ATOM 165 NE2 GLN A 12 -8.641 7.225 -1.423 1.00 0.00 N ATOM 0 H GLN A 12 -6.902 4.399 3.203 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.930 4.161 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.316 5.452 1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.738 4.983 -0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.774 6.386 1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.556 7.313 0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.897 7.896 -1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.143 7.259 -2.310 1.00 0.00 H new ATOM 174 N CYS A 13 -6.489 2.091 0.710 1.00 0.00 N ATOM 175 CA CYS A 13 -6.128 0.925 -0.078 1.00 0.00 C ATOM 176 C CYS A 13 -6.973 -0.257 0.400 1.00 0.00 C ATOM 177 O CYS A 13 -6.485 -1.120 1.128 1.00 0.00 O ATOM 178 CB CYS A 13 -4.630 0.626 0.006 1.00 0.00 C ATOM 179 SG CYS A 13 -3.979 -0.420 -1.347 1.00 0.00 S ATOM 0 H CYS A 13 -5.811 2.347 1.427 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.334 1.117 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.085 1.570 0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.425 0.135 0.957 1.00 0.00 H new ATOM 184 N THR A 14 -8.227 -0.260 -0.030 1.00 0.00 N ATOM 185 CA THR A 14 -9.145 -1.322 0.345 1.00 0.00 C ATOM 186 C THR A 14 -9.576 -2.114 -0.891 1.00 0.00 C ATOM 187 O THR A 14 -9.620 -3.343 -0.861 1.00 0.00 O ATOM 188 CB THR A 14 -10.315 -0.691 1.101 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.787 -0.423 2.397 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.450 -1.684 1.359 1.00 0.00 C ATOM 0 H THR A 14 -8.628 0.457 -0.635 1.00 0.00 H new ATOM 0 HA THR A 14 -8.666 -2.045 1.005 1.00 0.00 H new ATOM 0 HB THR A 14 -10.698 0.158 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.984 0.132 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.255 -1.185 1.898 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.829 -2.059 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.076 -2.517 1.955 1.00 0.00 H new ATOM 198 N THR A 15 -9.884 -1.378 -1.949 1.00 0.00 N ATOM 199 CA THR A 15 -10.310 -1.997 -3.192 1.00 0.00 C ATOM 200 C THR A 15 -9.121 -2.651 -3.898 1.00 0.00 C ATOM 201 O THR A 15 -9.220 -3.782 -4.370 1.00 0.00 O ATOM 202 CB THR A 15 -11.006 -0.928 -4.038 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.394 -1.195 -3.862 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.776 -1.126 -5.538 1.00 0.00 C ATOM 0 H THR A 15 -9.847 -0.359 -1.971 1.00 0.00 H new ATOM 0 HA THR A 15 -11.021 -2.802 -3.009 1.00 0.00 H new ATOM 0 HB THR A 15 -10.647 0.058 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.920 -0.546 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.291 -0.341 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.708 -1.080 -5.752 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.165 -2.098 -5.840 1.00 0.00 H new ATOM 212 N PRO A 16 -7.994 -1.891 -3.949 1.00 0.00 N ATOM 213 CA PRO A 16 -6.787 -2.385 -4.589 1.00 0.00 C ATOM 214 C PRO A 16 -6.087 -3.425 -3.712 1.00 0.00 C ATOM 215 O PRO A 16 -5.376 -4.292 -4.218 1.00 0.00 O ATOM 216 CB PRO A 16 -5.938 -1.148 -4.835 1.00 0.00 C ATOM 217 CG PRO A 16 -6.489 -0.074 -3.912 1.00 0.00 C ATOM 218 CD PRO A 16 -7.840 -0.547 -3.401 1.00 0.00 C ATOM 0 HA PRO A 16 -6.990 -2.906 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.888 -1.346 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.997 -0.835 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.807 0.102 -3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.592 0.871 -4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.869 -0.558 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.642 0.111 -3.735 1.00 0.00 H new ATOM 226 N CYS A 17 -6.313 -3.305 -2.412 1.00 0.00 N ATOM 227 CA CYS A 17 -5.714 -4.224 -1.460 1.00 0.00 C ATOM 228 C CYS A 17 -6.817 -5.127 -0.904 1.00 0.00 C ATOM 229 O CYS A 17 -6.661 -5.718 0.163 1.00 0.00 O ATOM 230 CB CYS A 17 -4.970 -3.481 -0.348 1.00 0.00 C ATOM 231 SG CYS A 17 -3.751 -2.248 -0.931 1.00 0.00 S ATOM 0 H CYS A 17 -6.903 -2.585 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.965 -4.835 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.701 -2.977 0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.456 -4.211 0.277 1.00 0.00 H new ATOM 236 N GLU A 18 -7.907 -5.205 -1.653 1.00 0.00 N ATOM 237 CA GLU A 18 -9.035 -6.027 -1.249 1.00 0.00 C ATOM 238 C GLU A 18 -8.702 -7.510 -1.425 1.00 0.00 C ATOM 239 O GLU A 18 -8.911 -8.309 -0.514 1.00 0.00 O ATOM 240 CB GLU A 18 -10.295 -5.650 -2.031 1.00 0.00 C ATOM 241 CG GLU A 18 -11.495 -5.493 -1.095 1.00 0.00 C ATOM 242 CD GLU A 18 -12.803 -5.807 -1.824 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.204 -4.967 -2.658 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.373 -6.880 -1.530 1.00 0.00 O ATOM 0 H GLU A 18 -8.033 -4.713 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.234 -5.844 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.127 -4.719 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.508 -6.417 -2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.383 -6.158 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.527 -4.475 -0.706 1.00 0.00 H new ATOM 251 N PRO A 19 -8.177 -7.841 -2.635 1.00 0.00 N ATOM 252 CA PRO A 19 -7.813 -9.214 -2.943 1.00 0.00 C ATOM 253 C PRO A 19 -6.517 -9.610 -2.232 1.00 0.00 C ATOM 254 O PRO A 19 -6.085 -10.758 -2.317 1.00 0.00 O ATOM 255 CB PRO A 19 -7.698 -9.260 -4.457 1.00 0.00 C ATOM 256 CG PRO A 19 -7.545 -7.817 -4.909 1.00 0.00 C ATOM 257 CD PRO A 19 -7.916 -6.921 -3.738 1.00 0.00 C ATOM 0 HA PRO A 19 -8.552 -9.934 -2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.841 -9.858 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.582 -9.717 -4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.521 -7.623 -5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.190 -7.614 -5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.107 -6.231 -3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.794 -6.316 -3.965 1.00 0.00 H new ATOM 265 N LEU A 20 -5.933 -8.637 -1.548 1.00 0.00 N ATOM 266 CA LEU A 20 -4.696 -8.869 -0.824 1.00 0.00 C ATOM 267 C LEU A 20 -5.019 -9.230 0.627 1.00 0.00 C ATOM 268 O LEU A 20 -4.719 -10.335 1.078 1.00 0.00 O ATOM 269 CB LEU A 20 -3.759 -7.668 -0.964 1.00 0.00 C ATOM 270 CG LEU A 20 -2.820 -7.408 0.216 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.730 -8.478 0.296 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.234 -5.996 0.149 1.00 0.00 C ATOM 0 H LEU A 20 -6.295 -7.686 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.158 -9.715 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.154 -7.807 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.365 -6.776 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.401 -7.472 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.077 -8.269 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.190 -9.457 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.145 -8.471 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.570 -5.837 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.672 -5.879 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.042 -5.265 0.178 1.00 0.00 H new ATOM 284 N THR A 21 -5.628 -8.278 1.319 1.00 0.00 N ATOM 285 CA THR A 21 -5.995 -8.482 2.710 1.00 0.00 C ATOM 286 C THR A 21 -6.679 -9.839 2.887 1.00 0.00 C ATOM 287 O THR A 21 -6.263 -10.643 3.720 1.00 0.00 O ATOM 288 CB THR A 21 -6.866 -7.302 3.147 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.937 -6.238 3.338 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.483 -7.510 4.531 1.00 0.00 C ATOM 0 H THR A 21 -5.876 -7.363 0.942 1.00 0.00 H new ATOM 0 HA THR A 21 -5.114 -8.510 3.351 1.00 0.00 H new ATOM 0 HB THR A 21 -7.659 -7.146 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.417 -5.432 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.091 -6.644 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.109 -8.402 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.690 -7.632 5.268 1.00 0.00 H new ATOM 298 N ALA A 22 -7.716 -10.052 2.091 1.00 0.00 N ATOM 299 CA ALA A 22 -8.461 -11.298 2.150 1.00 0.00 C ATOM 300 C ALA A 22 -7.486 -12.475 2.065 1.00 0.00 C ATOM 301 O ALA A 22 -7.690 -13.502 2.711 1.00 0.00 O ATOM 302 CB ALA A 22 -9.503 -11.324 1.030 1.00 0.00 C ATOM 0 H ALA A 22 -8.058 -9.383 1.402 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.996 -11.380 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.062 -12.259 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.189 -10.485 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.002 -11.246 0.065 1.00 0.00 H new ATOM 308 N CYS A 23 -6.448 -12.285 1.264 1.00 0.00 N ATOM 309 CA CYS A 23 -5.441 -13.318 1.087 1.00 0.00 C ATOM 310 C CYS A 23 -4.751 -13.552 2.433 1.00 0.00 C ATOM 311 O CYS A 23 -4.781 -14.661 2.964 1.00 0.00 O ATOM 312 CB CYS A 23 -4.441 -12.950 -0.011 1.00 0.00 C ATOM 313 SG CYS A 23 -3.724 -14.377 -0.905 1.00 0.00 S ATOM 0 H CYS A 23 -6.282 -11.432 0.730 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.917 -14.242 0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.937 -12.300 -0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.630 -12.373 0.434 1.00 0.00 H new ATOM 318 N LYS A 24 -4.147 -12.490 2.944 1.00 0.00 N ATOM 319 CA LYS A 24 -3.451 -12.566 4.218 1.00 0.00 C ATOM 320 C LYS A 24 -4.400 -13.123 5.280 1.00 0.00 C ATOM 321 O LYS A 24 -4.037 -14.029 6.029 1.00 0.00 O ATOM 322 CB LYS A 24 -2.850 -11.207 4.582 1.00 0.00 C ATOM 323 CG LYS A 24 -1.342 -11.188 4.323 1.00 0.00 C ATOM 324 CD LYS A 24 -0.913 -9.868 3.679 1.00 0.00 C ATOM 325 CE LYS A 24 0.088 -9.125 4.567 1.00 0.00 C ATOM 326 NZ LYS A 24 -0.577 -8.006 5.272 1.00 0.00 N ATOM 0 H LYS A 24 -4.125 -11.572 2.500 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.608 -13.254 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.333 -10.423 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.045 -10.988 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.806 -11.330 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.071 -12.019 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.465 -10.063 2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.788 -9.241 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.521 -9.814 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.909 -8.744 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.116 -7.512 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.969 -7.341 4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.345 -8.378 5.866 1.00 0.00 H new ATOM 340 N GLU A 25 -5.599 -12.558 5.312 1.00 0.00 N ATOM 341 CA GLU A 25 -6.603 -12.987 6.271 1.00 0.00 C ATOM 342 C GLU A 25 -6.841 -14.494 6.151 1.00 0.00 C ATOM 343 O GLU A 25 -6.496 -15.254 7.055 1.00 0.00 O ATOM 344 CB GLU A 25 -7.907 -12.209 6.084 1.00 0.00 C ATOM 345 CG GLU A 25 -8.253 -11.409 7.341 1.00 0.00 C ATOM 346 CD GLU A 25 -9.246 -12.171 8.221 1.00 0.00 C ATOM 347 OE1 GLU A 25 -8.941 -13.340 8.540 1.00 0.00 O ATOM 348 OE2 GLU A 25 -10.289 -11.567 8.553 1.00 0.00 O ATOM 0 H GLU A 25 -5.897 -11.807 4.689 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.233 -12.776 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.813 -11.534 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.718 -12.901 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.344 -11.203 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.677 -10.446 7.058 1.00 0.00 H new ATOM 355 N LYS A 26 -7.430 -14.880 5.029 1.00 0.00 N ATOM 356 CA LYS A 26 -7.719 -16.282 4.780 1.00 0.00 C ATOM 357 C LYS A 26 -6.549 -17.135 5.274 1.00 0.00 C ATOM 358 O LYS A 26 -6.752 -18.142 5.951 1.00 0.00 O ATOM 359 CB LYS A 26 -8.063 -16.505 3.306 1.00 0.00 C ATOM 360 CG LYS A 26 -9.103 -17.616 3.147 1.00 0.00 C ATOM 361 CD LYS A 26 -10.219 -17.190 2.192 1.00 0.00 C ATOM 362 CE LYS A 26 -10.828 -18.403 1.484 1.00 0.00 C ATOM 363 NZ LYS A 26 -10.503 -18.378 0.041 1.00 0.00 N ATOM 0 H LYS A 26 -7.715 -14.246 4.282 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.601 -16.594 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.445 -15.580 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.160 -16.766 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.622 -18.518 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.527 -17.864 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.994 -16.661 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.824 -16.493 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.449 -19.321 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.910 -18.405 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.924 -19.208 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.886 -17.510 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.471 -18.398 -0.083 1.00 0.00 H new ATOM 377 N CYS A 27 -5.350 -16.702 4.916 1.00 0.00 N ATOM 378 CA CYS A 27 -4.147 -17.413 5.314 1.00 0.00 C ATOM 379 C CYS A 27 -4.039 -17.357 6.839 1.00 0.00 C ATOM 380 O CYS A 27 -3.883 -18.388 7.492 1.00 0.00 O ATOM 381 CB CYS A 27 -2.901 -16.843 4.633 1.00 0.00 C ATOM 382 SG CYS A 27 -2.793 -17.169 2.835 1.00 0.00 S ATOM 0 H CYS A 27 -5.185 -15.867 4.354 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.213 -18.452 4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.876 -15.765 4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.017 -17.258 5.117 1.00 0.00 H new ATOM 387 N ALA A 28 -4.126 -16.143 7.363 1.00 0.00 N ATOM 388 CA ALA A 28 -4.040 -15.940 8.799 1.00 0.00 C ATOM 389 C ALA A 28 -4.892 -16.992 9.511 1.00 0.00 C ATOM 390 O ALA A 28 -4.427 -17.648 10.442 1.00 0.00 O ATOM 391 CB ALA A 28 -4.471 -14.512 9.139 1.00 0.00 C ATOM 0 H ALA A 28 -4.255 -15.290 6.819 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.013 -16.061 9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.407 -14.359 10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.816 -13.804 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.498 -14.354 8.811 1.00 0.00 H new ATOM 397 N GLU A 29 -6.126 -17.121 9.045 1.00 0.00 N ATOM 398 CA GLU A 29 -7.048 -18.083 9.626 1.00 0.00 C ATOM 399 C GLU A 29 -6.425 -19.480 9.629 1.00 0.00 C ATOM 400 O GLU A 29 -6.291 -20.102 10.682 1.00 0.00 O ATOM 401 CB GLU A 29 -8.384 -18.080 8.881 1.00 0.00 C ATOM 402 CG GLU A 29 -9.328 -17.020 9.453 1.00 0.00 C ATOM 403 CD GLU A 29 -9.692 -17.336 10.905 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.318 -18.397 11.116 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.335 -16.509 11.772 1.00 0.00 O ATOM 0 H GLU A 29 -6.509 -16.576 8.272 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.244 -17.792 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.213 -17.887 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.848 -19.064 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.855 -16.039 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.234 -16.971 8.849 1.00 0.00 H new ATOM 412 N SER A 30 -6.062 -19.934 8.438 1.00 0.00 N ATOM 413 CA SER A 30 -5.456 -21.246 8.290 1.00 0.00 C ATOM 414 C SER A 30 -4.136 -21.304 9.061 1.00 0.00 C ATOM 415 O SER A 30 -3.649 -22.386 9.386 1.00 0.00 O ATOM 416 CB SER A 30 -5.224 -21.583 6.816 1.00 0.00 C ATOM 417 OG SER A 30 -5.624 -22.914 6.502 1.00 0.00 O ATOM 0 H SER A 30 -6.176 -19.416 7.567 1.00 0.00 H new ATOM 0 HA SER A 30 -6.142 -21.987 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.778 -20.882 6.192 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.168 -21.456 6.577 1.00 0.00 H new ATOM 0 HG SER A 30 -5.461 -23.089 5.552 1.00 0.00 H new ATOM 423 N CYS A 31 -3.594 -20.126 9.333 1.00 0.00 N ATOM 424 CA CYS A 31 -2.340 -20.028 10.060 1.00 0.00 C ATOM 425 C CYS A 31 -2.640 -19.506 11.467 1.00 0.00 C ATOM 426 O CYS A 31 -2.020 -18.546 11.921 1.00 0.00 O ATOM 427 CB CYS A 31 -1.328 -19.146 9.327 1.00 0.00 C ATOM 428 SG CYS A 31 -0.911 -19.701 7.634 1.00 0.00 S ATOM 0 H CYS A 31 -4.001 -19.231 9.063 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.879 -21.013 10.130 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.722 -18.131 9.275 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.412 -19.102 9.916 1.00 0.00 H new ATOM 433 N GLU A 32 -3.591 -20.160 12.117 1.00 0.00 N ATOM 434 CA GLU A 32 -3.980 -19.774 13.462 1.00 0.00 C ATOM 435 C GLU A 32 -3.174 -20.563 14.495 1.00 0.00 C ATOM 436 O GLU A 32 -2.501 -19.976 15.342 1.00 0.00 O ATOM 437 CB GLU A 32 -5.483 -19.968 13.675 1.00 0.00 C ATOM 438 CG GLU A 32 -6.206 -18.621 13.736 1.00 0.00 C ATOM 439 CD GLU A 32 -7.621 -18.783 14.295 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.731 -18.906 15.534 1.00 0.00 O ATOM 441 OE2 GLU A 32 -8.561 -18.781 13.470 1.00 0.00 O ATOM 0 H GLU A 32 -4.104 -20.955 11.737 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.761 -18.714 13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.894 -20.569 12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.655 -20.519 14.599 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.641 -17.929 14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.253 -18.184 12.739 1.00 0.00 H new ATOM 448 N THR A 33 -3.267 -21.880 14.392 1.00 0.00 N ATOM 449 CA THR A 33 -2.555 -22.755 15.307 1.00 0.00 C ATOM 450 C THR A 33 -1.061 -22.772 14.975 1.00 0.00 C ATOM 451 O THR A 33 -0.230 -23.016 15.848 1.00 0.00 O ATOM 452 CB THR A 33 -3.207 -24.138 15.243 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.088 -24.515 13.874 1.00 0.00 O ATOM 454 CG2 THR A 33 -4.717 -24.085 15.485 1.00 0.00 C ATOM 0 H THR A 33 -3.825 -22.363 13.688 1.00 0.00 H new ATOM 0 HA THR A 33 -2.624 -22.394 16.333 1.00 0.00 H new ATOM 0 HB THR A 33 -2.744 -24.792 15.982 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.484 -25.402 13.743 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.130 -25.092 15.429 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.913 -23.667 16.472 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.185 -23.458 14.726 1.00 0.00 H new ATOM 462 N SER A 34 -0.766 -22.510 13.710 1.00 0.00 N ATOM 463 CA SER A 34 0.612 -22.492 13.251 1.00 0.00 C ATOM 464 C SER A 34 1.467 -21.643 14.195 1.00 0.00 C ATOM 465 O SER A 34 1.256 -20.437 14.313 1.00 0.00 O ATOM 466 CB SER A 34 0.710 -21.957 11.821 1.00 0.00 C ATOM 467 OG SER A 34 0.680 -23.005 10.856 1.00 0.00 O ATOM 0 H SER A 34 -1.458 -22.308 12.989 1.00 0.00 H new ATOM 0 HA SER A 34 0.986 -23.516 13.253 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.114 -21.268 11.634 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.633 -21.388 11.709 1.00 0.00 H new ATOM 0 HG SER A 34 0.743 -22.623 9.956 1.00 0.00 H new ATOM 473 N ALA A 35 2.413 -22.306 14.843 1.00 0.00 N ATOM 474 CA ALA A 35 3.300 -21.627 15.772 1.00 0.00 C ATOM 475 C ALA A 35 3.813 -20.336 15.131 1.00 0.00 C ATOM 476 O ALA A 35 3.471 -19.241 15.574 1.00 0.00 O ATOM 477 CB ALA A 35 4.436 -22.569 16.175 1.00 0.00 C ATOM 0 H ALA A 35 2.585 -23.306 14.743 1.00 0.00 H new ATOM 0 HA ALA A 35 2.765 -21.353 16.682 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.101 -22.059 16.872 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.021 -23.456 16.653 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.997 -22.863 15.288 1.00 0.00 H new ATOM 483 N ASP A 36 4.625 -20.508 14.098 1.00 0.00 N ATOM 484 CA ASP A 36 5.188 -19.370 13.392 1.00 0.00 C ATOM 485 C ASP A 36 4.111 -18.741 12.506 1.00 0.00 C ATOM 486 O ASP A 36 4.069 -18.991 11.302 1.00 0.00 O ATOM 487 CB ASP A 36 6.349 -19.800 12.492 1.00 0.00 C ATOM 488 CG ASP A 36 7.245 -20.896 13.072 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.991 -20.574 14.022 1.00 0.00 O ATOM 490 OD2 ASP A 36 7.163 -22.030 12.553 1.00 0.00 O ATOM 0 H ASP A 36 4.906 -21.418 13.733 1.00 0.00 H new ATOM 0 HA ASP A 36 5.551 -18.659 14.134 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.943 -20.148 11.542 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.963 -18.926 12.275 1.00 0.00 H new ATOM 495 N LYS A 37 3.266 -17.938 13.136 1.00 0.00 N ATOM 496 CA LYS A 37 2.191 -17.272 12.420 1.00 0.00 C ATOM 497 C LYS A 37 2.790 -16.319 11.383 1.00 0.00 C ATOM 498 O LYS A 37 2.523 -16.447 10.189 1.00 0.00 O ATOM 499 CB LYS A 37 1.235 -16.592 13.401 1.00 0.00 C ATOM 500 CG LYS A 37 0.179 -17.576 13.909 1.00 0.00 C ATOM 501 CD LYS A 37 -1.102 -16.845 14.316 1.00 0.00 C ATOM 502 CE LYS A 37 -1.155 -16.633 15.830 1.00 0.00 C ATOM 503 NZ LYS A 37 -1.601 -15.257 16.145 1.00 0.00 N ATOM 0 H LYS A 37 3.304 -17.734 14.135 1.00 0.00 H new ATOM 0 HA LYS A 37 1.588 -17.998 11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.798 -16.190 14.243 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.746 -15.749 12.913 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.046 -18.306 13.132 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.573 -18.129 14.762 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.152 -15.882 13.808 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.971 -17.420 13.995 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.836 -17.355 16.281 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.171 -16.811 16.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.632 -15.130 17.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.936 -14.573 15.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.550 -15.100 15.749 1.00 0.00 H new ATOM 517 N LYS A 38 3.587 -15.384 11.877 1.00 0.00 N ATOM 518 CA LYS A 38 4.226 -14.409 11.009 1.00 0.00 C ATOM 519 C LYS A 38 4.741 -15.113 9.752 1.00 0.00 C ATOM 520 O LYS A 38 4.327 -14.788 8.640 1.00 0.00 O ATOM 521 CB LYS A 38 5.307 -13.640 11.770 1.00 0.00 C ATOM 522 CG LYS A 38 5.523 -12.252 11.163 1.00 0.00 C ATOM 523 CD LYS A 38 5.462 -11.167 12.239 1.00 0.00 C ATOM 524 CE LYS A 38 5.978 -9.831 11.701 1.00 0.00 C ATOM 525 NZ LYS A 38 4.937 -9.163 10.888 1.00 0.00 N ATOM 0 H LYS A 38 3.805 -15.280 12.868 1.00 0.00 H new ATOM 0 HA LYS A 38 3.505 -13.659 10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.020 -13.542 12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.242 -14.200 11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.490 -12.217 10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.763 -12.061 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.435 -11.051 12.586 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.057 -11.470 13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.269 -9.186 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.870 -9.996 11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.303 -8.258 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.678 -9.773 10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.097 -8.989 11.475 1.00 0.00 H new ATOM 539 N THR A 39 5.637 -16.064 9.970 1.00 0.00 N ATOM 540 CA THR A 39 6.213 -16.816 8.869 1.00 0.00 C ATOM 541 C THR A 39 5.115 -17.293 7.916 1.00 0.00 C ATOM 542 O THR A 39 5.237 -17.148 6.701 1.00 0.00 O ATOM 543 CB THR A 39 7.043 -17.958 9.459 1.00 0.00 C ATOM 544 OG1 THR A 39 7.841 -17.327 10.457 1.00 0.00 O ATOM 545 CG2 THR A 39 8.063 -18.516 8.464 1.00 0.00 C ATOM 0 H THR A 39 5.978 -16.331 10.893 1.00 0.00 H new ATOM 0 HA THR A 39 6.874 -16.192 8.267 1.00 0.00 H new ATOM 0 HB THR A 39 6.379 -18.759 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.410 -17.996 10.892 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.625 -19.323 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.543 -18.899 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.749 -17.724 8.163 1.00 0.00 H new ATOM 553 N CYS A 40 4.068 -17.852 8.504 1.00 0.00 N ATOM 554 CA CYS A 40 2.949 -18.351 7.723 1.00 0.00 C ATOM 555 C CYS A 40 2.315 -17.172 6.983 1.00 0.00 C ATOM 556 O CYS A 40 2.123 -17.226 5.770 1.00 0.00 O ATOM 557 CB CYS A 40 1.933 -19.089 8.598 1.00 0.00 C ATOM 558 SG CYS A 40 0.991 -20.402 7.739 1.00 0.00 S ATOM 0 H CYS A 40 3.971 -17.971 9.512 1.00 0.00 H new ATOM 0 HA CYS A 40 3.306 -19.083 6.999 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.458 -19.532 9.444 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.229 -18.363 9.004 1.00 0.00 H new ATOM 563 N ARG A 41 2.009 -16.132 7.746 1.00 0.00 N ATOM 564 CA ARG A 41 1.401 -14.941 7.177 1.00 0.00 C ATOM 565 C ARG A 41 2.238 -14.425 6.005 1.00 0.00 C ATOM 566 O ARG A 41 1.705 -13.824 5.074 1.00 0.00 O ATOM 567 CB ARG A 41 1.270 -13.835 8.227 1.00 0.00 C ATOM 568 CG ARG A 41 0.100 -14.113 9.173 1.00 0.00 C ATOM 569 CD ARG A 41 -0.193 -12.898 10.055 1.00 0.00 C ATOM 570 NE ARG A 41 0.512 -13.031 11.349 1.00 0.00 N ATOM 571 CZ ARG A 41 0.305 -12.230 12.403 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.588 -11.234 12.323 1.00 0.00 N ATOM 573 NH2 ARG A 41 0.990 -12.425 13.538 1.00 0.00 N ATOM 0 H ARG A 41 2.171 -16.090 8.752 1.00 0.00 H new ATOM 0 HA ARG A 41 0.406 -15.213 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.195 -13.760 8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.122 -12.875 7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.787 -14.369 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.331 -14.974 9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.126 -11.986 9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.266 -12.811 10.223 1.00 0.00 H new ATOM 0 HE ARG A 41 1.199 -13.779 11.445 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.110 -11.086 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.745 -10.624 13.126 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.669 -13.183 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.832 -11.815 14.340 1.00 0.00 H new ATOM 587 N ARG A 42 3.536 -14.679 6.090 1.00 0.00 N ATOM 588 CA ARG A 42 4.452 -14.248 5.048 1.00 0.00 C ATOM 589 C ARG A 42 4.383 -15.201 3.853 1.00 0.00 C ATOM 590 O ARG A 42 4.183 -14.768 2.719 1.00 0.00 O ATOM 591 CB ARG A 42 5.891 -14.195 5.566 1.00 0.00 C ATOM 592 CG ARG A 42 6.270 -12.773 5.986 1.00 0.00 C ATOM 593 CD ARG A 42 5.971 -12.541 7.468 1.00 0.00 C ATOM 594 NE ARG A 42 6.794 -11.423 7.981 1.00 0.00 N ATOM 595 CZ ARG A 42 8.128 -11.463 8.097 1.00 0.00 C ATOM 596 NH1 ARG A 42 8.798 -12.566 7.737 1.00 0.00 N ATOM 597 NH2 ARG A 42 8.792 -10.401 8.573 1.00 0.00 N ATOM 0 H ARG A 42 3.975 -15.178 6.864 1.00 0.00 H new ATOM 0 HA ARG A 42 4.153 -13.247 4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.001 -14.870 6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.574 -14.543 4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.330 -12.604 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.718 -12.052 5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.913 -12.317 7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.180 -13.448 8.036 1.00 0.00 H new ATOM 0 HE ARG A 42 6.315 -10.568 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.292 -13.374 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.814 -12.597 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.282 -9.561 8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.808 -10.432 8.661 1.00 0.00 H new ATOM 611 N ASN A 43 4.553 -16.482 4.147 1.00 0.00 N ATOM 612 CA ASN A 43 4.513 -17.500 3.111 1.00 0.00 C ATOM 613 C ASN A 43 3.282 -17.277 2.231 1.00 0.00 C ATOM 614 O ASN A 43 3.325 -17.516 1.025 1.00 0.00 O ATOM 615 CB ASN A 43 4.412 -18.900 3.719 1.00 0.00 C ATOM 616 CG ASN A 43 5.717 -19.676 3.528 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.436 -19.502 2.559 1.00 0.00 O ATOM 618 ND2 ASN A 43 5.980 -20.540 4.504 1.00 0.00 N ATOM 0 H ASN A 43 4.719 -16.838 5.088 1.00 0.00 H new ATOM 0 HA ASN A 43 5.431 -17.425 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.183 -18.823 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.590 -19.444 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.827 -21.107 4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.334 -20.636 5.288 1.00 0.00 H new ATOM 625 N CYS A 44 2.213 -16.821 2.867 1.00 0.00 N ATOM 626 CA CYS A 44 0.972 -16.563 2.157 1.00 0.00 C ATOM 627 C CYS A 44 1.290 -15.702 0.933 1.00 0.00 C ATOM 628 O CYS A 44 0.789 -15.961 -0.160 1.00 0.00 O ATOM 629 CB CYS A 44 -0.072 -15.905 3.062 1.00 0.00 C ATOM 630 SG CYS A 44 -1.660 -15.513 2.242 1.00 0.00 S ATOM 0 H CYS A 44 2.181 -16.623 3.867 1.00 0.00 H new ATOM 0 HA CYS A 44 0.532 -17.506 1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.269 -16.566 3.906 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.348 -14.985 3.468 1.00 0.00 H new ATOM 635 N LYS A 45 2.120 -14.694 1.157 1.00 0.00 N ATOM 636 CA LYS A 45 2.511 -13.793 0.086 1.00 0.00 C ATOM 637 C LYS A 45 2.978 -14.613 -1.119 1.00 0.00 C ATOM 638 O LYS A 45 2.817 -14.189 -2.262 1.00 0.00 O ATOM 639 CB LYS A 45 3.549 -12.786 0.584 1.00 0.00 C ATOM 640 CG LYS A 45 3.490 -11.491 -0.228 1.00 0.00 C ATOM 641 CD LYS A 45 4.844 -11.187 -0.874 1.00 0.00 C ATOM 642 CE LYS A 45 4.848 -9.795 -1.509 1.00 0.00 C ATOM 643 NZ LYS A 45 6.149 -9.527 -2.161 1.00 0.00 N ATOM 0 H LYS A 45 2.533 -14.481 2.065 1.00 0.00 H new ATOM 0 HA LYS A 45 1.658 -13.199 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.373 -12.567 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.546 -13.220 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.725 -11.576 -1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.198 -10.664 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.632 -11.250 -0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.066 -11.937 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.045 -9.721 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.654 -9.040 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.135 -8.578 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.909 -9.577 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.319 -10.237 -2.902 1.00 0.00 H new ATOM 657 N LYS A 46 3.547 -15.771 -0.821 1.00 0.00 N ATOM 658 CA LYS A 46 4.039 -16.654 -1.866 1.00 0.00 C ATOM 659 C LYS A 46 2.945 -17.657 -2.236 1.00 0.00 C ATOM 660 O LYS A 46 2.923 -18.172 -3.353 1.00 0.00 O ATOM 661 CB LYS A 46 5.355 -17.308 -1.439 1.00 0.00 C ATOM 662 CG LYS A 46 6.521 -16.325 -1.560 1.00 0.00 C ATOM 663 CD LYS A 46 6.959 -16.171 -3.017 1.00 0.00 C ATOM 664 CE LYS A 46 7.473 -14.755 -3.289 1.00 0.00 C ATOM 665 NZ LYS A 46 8.943 -14.761 -3.458 1.00 0.00 N ATOM 0 H LYS A 46 3.679 -16.119 0.129 1.00 0.00 H new ATOM 0 HA LYS A 46 4.270 -16.087 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.274 -17.657 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.548 -18.184 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.226 -15.355 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.360 -16.675 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.741 -16.895 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.120 -16.390 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.000 -14.356 -4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.198 -14.097 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.275 -13.793 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.391 -15.122 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.198 -15.372 -4.260 1.00 0.00 H new ATOM 679 N ALA A 47 2.064 -17.904 -1.278 1.00 0.00 N ATOM 680 CA ALA A 47 0.970 -18.837 -1.490 1.00 0.00 C ATOM 681 C ALA A 47 0.195 -18.430 -2.745 1.00 0.00 C ATOM 682 O ALA A 47 0.092 -19.205 -3.694 1.00 0.00 O ATOM 683 CB ALA A 47 0.084 -18.876 -0.244 1.00 0.00 C ATOM 0 H ALA A 47 2.085 -17.474 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 47 1.351 -19.846 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.737 -19.576 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.675 -19.199 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.319 -17.881 -0.053 1.00 0.00 H new ATOM 689 N ASP A 48 -0.332 -17.215 -2.708 1.00 0.00 N ATOM 690 CA ASP A 48 -1.095 -16.696 -3.830 1.00 0.00 C ATOM 691 C ASP A 48 -1.561 -15.274 -3.510 1.00 0.00 C ATOM 692 O ASP A 48 -2.752 -14.975 -3.588 1.00 0.00 O ATOM 693 CB ASP A 48 -2.335 -17.551 -4.095 1.00 0.00 C ATOM 694 CG ASP A 48 -2.809 -17.569 -5.550 1.00 0.00 C ATOM 695 OD1 ASP A 48 -2.004 -17.161 -6.415 1.00 0.00 O ATOM 696 OD2 ASP A 48 -3.966 -17.990 -5.765 1.00 0.00 O ATOM 0 H ASP A 48 -0.246 -16.575 -1.918 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.452 -16.710 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.125 -18.575 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.149 -17.188 -3.468 1.00 0.00 H new ATOM 701 N CYS A 49 -0.598 -14.435 -3.158 1.00 0.00 N ATOM 702 CA CYS A 49 -0.894 -13.052 -2.826 1.00 0.00 C ATOM 703 C CYS A 49 0.242 -12.176 -3.357 1.00 0.00 C ATOM 704 O CYS A 49 0.426 -11.048 -2.902 1.00 0.00 O ATOM 705 CB CYS A 49 -1.105 -12.864 -1.322 1.00 0.00 C ATOM 706 SG CYS A 49 -1.781 -14.325 -0.453 1.00 0.00 S ATOM 0 H CYS A 49 0.388 -14.687 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.831 -12.755 -3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.152 -12.597 -0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.780 -12.022 -1.167 1.00 0.00 H new ATOM 711 N GLU A 50 0.974 -12.728 -4.314 1.00 0.00 N ATOM 712 CA GLU A 50 2.087 -12.011 -4.912 1.00 0.00 C ATOM 713 C GLU A 50 1.573 -10.853 -5.770 1.00 0.00 C ATOM 714 O GLU A 50 2.036 -9.722 -5.634 1.00 0.00 O ATOM 715 CB GLU A 50 2.969 -12.954 -5.734 1.00 0.00 C ATOM 716 CG GLU A 50 4.256 -13.296 -4.981 1.00 0.00 C ATOM 717 CD GLU A 50 5.461 -13.287 -5.924 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.397 -14.021 -6.933 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.419 -12.546 -5.613 1.00 0.00 O ATOM 0 H GLU A 50 0.818 -13.663 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 50 2.701 -11.599 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.420 -13.869 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.215 -12.488 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.413 -12.577 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.160 -14.277 -4.517 1.00 0.00 H new ATOM 726 N PRO A 51 0.599 -11.185 -6.658 1.00 0.00 N ATOM 727 CA PRO A 51 0.017 -10.186 -7.539 1.00 0.00 C ATOM 728 C PRO A 51 -0.943 -9.273 -6.774 1.00 0.00 C ATOM 729 O PRO A 51 -1.157 -8.126 -7.163 1.00 0.00 O ATOM 730 CB PRO A 51 -0.669 -10.982 -8.638 1.00 0.00 C ATOM 731 CG PRO A 51 -0.845 -12.388 -8.086 1.00 0.00 C ATOM 732 CD PRO A 51 0.026 -12.515 -6.847 1.00 0.00 C ATOM 0 HA PRO A 51 0.762 -9.511 -7.960 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.631 -10.541 -8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.068 -10.992 -9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.890 -12.573 -7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.558 -13.129 -8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.560 -12.820 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.804 -13.265 -6.985 1.00 0.00 H new ATOM 740 N GLN A 52 -1.496 -9.817 -5.699 1.00 0.00 N ATOM 741 CA GLN A 52 -2.428 -9.065 -4.876 1.00 0.00 C ATOM 742 C GLN A 52 -1.680 -8.019 -4.047 1.00 0.00 C ATOM 743 O GLN A 52 -2.064 -6.851 -4.023 1.00 0.00 O ATOM 744 CB GLN A 52 -3.241 -9.999 -3.977 1.00 0.00 C ATOM 745 CG GLN A 52 -3.984 -11.049 -4.805 1.00 0.00 C ATOM 746 CD GLN A 52 -4.566 -12.144 -3.908 1.00 0.00 C ATOM 747 OE1 GLN A 52 -4.144 -12.349 -2.782 1.00 0.00 O ATOM 748 NE2 GLN A 52 -5.555 -12.833 -4.469 1.00 0.00 N ATOM 0 H GLN A 52 -1.316 -10.769 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.127 -8.547 -5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.578 -10.493 -3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.956 -9.418 -3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.785 -10.572 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.303 -11.493 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.859 -12.609 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.009 -13.586 -3.952 1.00 0.00 H new ATOM 757 N ASP A 53 -0.626 -8.477 -3.387 1.00 0.00 N ATOM 758 CA ASP A 53 0.179 -7.595 -2.559 1.00 0.00 C ATOM 759 C ASP A 53 0.791 -6.499 -3.434 1.00 0.00 C ATOM 760 O ASP A 53 0.806 -5.330 -3.050 1.00 0.00 O ATOM 761 CB ASP A 53 1.324 -8.360 -1.891 1.00 0.00 C ATOM 762 CG ASP A 53 1.905 -7.693 -0.642 1.00 0.00 C ATOM 763 OD1 ASP A 53 2.854 -6.898 -0.813 1.00 0.00 O ATOM 764 OD2 ASP A 53 1.386 -7.994 0.455 1.00 0.00 O ATOM 0 H ASP A 53 -0.311 -9.447 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.468 -7.170 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.968 -9.354 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.124 -8.494 -2.619 1.00 0.00 H new ATOM 769 N LYS A 54 1.280 -6.915 -4.593 1.00 0.00 N ATOM 770 CA LYS A 54 1.891 -5.982 -5.525 1.00 0.00 C ATOM 771 C LYS A 54 0.918 -4.835 -5.803 1.00 0.00 C ATOM 772 O LYS A 54 1.272 -3.666 -5.656 1.00 0.00 O ATOM 773 CB LYS A 54 2.356 -6.713 -6.786 1.00 0.00 C ATOM 774 CG LYS A 54 3.661 -7.470 -6.531 1.00 0.00 C ATOM 775 CD LYS A 54 4.062 -8.299 -7.753 1.00 0.00 C ATOM 776 CE LYS A 54 5.408 -7.834 -8.313 1.00 0.00 C ATOM 777 NZ LYS A 54 5.923 -8.809 -9.300 1.00 0.00 N ATOM 0 H LYS A 54 1.266 -7.885 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 54 2.788 -5.541 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.584 -7.411 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.499 -5.996 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.455 -6.763 -6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.544 -8.123 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.122 -9.352 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.295 -8.214 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.295 -6.857 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.125 -7.716 -7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.837 -8.478 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.049 -9.734 -8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.245 -8.901 -10.083 1.00 0.00 H new ATOM 791 N VAL A 55 -0.290 -5.208 -6.201 1.00 0.00 N ATOM 792 CA VAL A 55 -1.316 -4.225 -6.501 1.00 0.00 C ATOM 793 C VAL A 55 -1.433 -3.243 -5.333 1.00 0.00 C ATOM 794 O VAL A 55 -1.771 -2.077 -5.529 1.00 0.00 O ATOM 795 CB VAL A 55 -2.636 -4.928 -6.826 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.822 -3.978 -6.644 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.612 -5.512 -8.239 1.00 0.00 C ATOM 0 H VAL A 55 -0.581 -6.178 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.045 -3.648 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.758 -5.754 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.748 -4.502 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.856 -3.632 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.708 -3.123 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.562 -6.006 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.456 -4.711 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.801 -6.236 -8.320 1.00 0.00 H new ATOM 807 N CYS A 56 -1.146 -3.751 -4.144 1.00 0.00 N ATOM 808 CA CYS A 56 -1.215 -2.934 -2.945 1.00 0.00 C ATOM 809 C CYS A 56 -0.042 -1.953 -2.964 1.00 0.00 C ATOM 810 O CYS A 56 -0.171 -0.816 -2.511 1.00 0.00 O ATOM 811 CB CYS A 56 -1.222 -3.790 -1.676 1.00 0.00 C ATOM 812 SG CYS A 56 -1.909 -2.963 -0.196 1.00 0.00 S ATOM 0 H CYS A 56 -0.865 -4.719 -3.985 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.153 -2.378 -2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.797 -4.696 -1.869 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.200 -4.102 -1.459 1.00 0.00 H new ATOM 817 N ASP A 57 1.076 -2.427 -3.493 1.00 0.00 N ATOM 818 CA ASP A 57 2.272 -1.605 -3.578 1.00 0.00 C ATOM 819 C ASP A 57 1.986 -0.385 -4.455 1.00 0.00 C ATOM 820 O ASP A 57 2.207 0.750 -4.037 1.00 0.00 O ATOM 821 CB ASP A 57 3.430 -2.381 -4.210 1.00 0.00 C ATOM 822 CG ASP A 57 4.784 -1.671 -4.165 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.877 -0.673 -3.419 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.695 -2.142 -4.879 1.00 0.00 O ATOM 0 H ASP A 57 1.179 -3.370 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 57 2.548 -1.306 -2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.523 -3.342 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.182 -2.592 -5.250 1.00 0.00 H new ATOM 829 N ALA A 58 1.498 -0.661 -5.656 1.00 0.00 N ATOM 830 CA ALA A 58 1.180 0.400 -6.596 1.00 0.00 C ATOM 831 C ALA A 58 0.175 1.359 -5.955 1.00 0.00 C ATOM 832 O ALA A 58 0.134 2.541 -6.295 1.00 0.00 O ATOM 833 CB ALA A 58 0.655 -0.210 -7.897 1.00 0.00 C ATOM 0 H ALA A 58 1.315 -1.604 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 58 2.073 0.974 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.417 0.586 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.417 -0.860 -8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.243 -0.792 -7.690 1.00 0.00 H new ATOM 839 N CYS A 59 -0.612 0.815 -5.038 1.00 0.00 N ATOM 840 CA CYS A 59 -1.614 1.607 -4.346 1.00 0.00 C ATOM 841 C CYS A 59 -0.898 2.536 -3.364 1.00 0.00 C ATOM 842 O CYS A 59 -1.054 3.755 -3.431 1.00 0.00 O ATOM 843 CB CYS A 59 -2.649 0.724 -3.645 1.00 0.00 C ATOM 844 SG CYS A 59 -3.784 1.616 -2.521 1.00 0.00 S ATOM 0 H CYS A 59 -0.576 -0.165 -4.758 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.172 2.203 -5.068 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.240 0.210 -4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.125 -0.043 -3.075 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.549 0.761 -1.909 1.00 0.00 H new ATOM 849 N ARG A 60 -0.129 1.926 -2.475 1.00 0.00 N ATOM 850 CA ARG A 60 0.611 2.683 -1.480 1.00 0.00 C ATOM 851 C ARG A 60 1.582 3.649 -2.163 1.00 0.00 C ATOM 852 O ARG A 60 1.958 4.668 -1.585 1.00 0.00 O ATOM 853 CB ARG A 60 1.396 1.754 -0.552 1.00 0.00 C ATOM 854 CG ARG A 60 0.459 0.794 0.183 1.00 0.00 C ATOM 855 CD ARG A 60 1.153 0.170 1.395 1.00 0.00 C ATOM 856 NE ARG A 60 0.926 -1.292 1.413 1.00 0.00 N ATOM 857 CZ ARG A 60 1.649 -2.173 0.708 1.00 0.00 C ATOM 858 NH1 ARG A 60 2.650 -1.746 -0.073 1.00 0.00 N ATOM 859 NH2 ARG A 60 1.371 -3.482 0.785 1.00 0.00 N ATOM 0 H ARG A 60 -0.002 0.915 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.110 3.245 -0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.124 1.185 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.957 2.346 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.434 1.329 0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.131 0.008 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.222 0.380 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.771 0.617 2.313 1.00 0.00 H new ATOM 0 HE ARG A 60 0.172 -1.652 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.862 -0.750 -0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.200 -2.417 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.609 -3.807 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.921 -4.153 0.248 1.00 0.00 H new ATOM 873 N MET A 61 1.958 3.295 -3.383 1.00 0.00 N ATOM 874 CA MET A 61 2.878 4.118 -4.150 1.00 0.00 C ATOM 875 C MET A 61 2.157 5.322 -4.761 1.00 0.00 C ATOM 876 O MET A 61 2.613 6.456 -4.626 1.00 0.00 O ATOM 877 CB MET A 61 3.505 3.279 -5.266 1.00 0.00 C ATOM 878 CG MET A 61 4.121 4.173 -6.343 1.00 0.00 C ATOM 879 SD MET A 61 5.739 3.564 -6.790 1.00 0.00 S ATOM 880 CE MET A 61 5.305 2.508 -8.162 1.00 0.00 C ATOM 0 H MET A 61 1.643 2.450 -3.859 1.00 0.00 H new ATOM 0 HA MET A 61 3.654 4.485 -3.479 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.271 2.626 -4.848 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.747 2.636 -5.712 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.476 4.195 -7.222 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.197 5.197 -5.978 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.206 2.044 -8.563 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.619 1.733 -7.821 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.825 3.101 -8.940 1.00 0.00 H new ATOM 890 N LYS A 62 1.044 5.034 -5.419 1.00 0.00 N ATOM 891 CA LYS A 62 0.256 6.078 -6.050 1.00 0.00 C ATOM 892 C LYS A 62 -0.319 7.000 -4.972 1.00 0.00 C ATOM 893 O LYS A 62 -0.124 8.213 -5.019 1.00 0.00 O ATOM 894 CB LYS A 62 -0.806 5.469 -6.968 1.00 0.00 C ATOM 895 CG LYS A 62 -0.341 5.478 -8.426 1.00 0.00 C ATOM 896 CD LYS A 62 -0.248 4.055 -8.981 1.00 0.00 C ATOM 897 CE LYS A 62 1.207 3.662 -9.243 1.00 0.00 C ATOM 898 NZ LYS A 62 1.282 2.621 -10.292 1.00 0.00 N ATOM 0 H LYS A 62 0.669 4.092 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 62 0.886 6.692 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.018 4.446 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.736 6.030 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.035 6.063 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.632 5.965 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.696 3.356 -8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.820 3.984 -9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.777 4.539 -9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.662 3.293 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.141 2.051 -10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.445 2.007 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.313 3.073 -11.228 1.00 0.00 H new ATOM 912 N CYS A 63 -1.016 6.387 -4.026 1.00 0.00 N ATOM 913 CA CYS A 63 -1.621 7.137 -2.938 1.00 0.00 C ATOM 914 C CYS A 63 -0.615 8.188 -2.462 1.00 0.00 C ATOM 915 O CYS A 63 -0.896 9.384 -2.502 1.00 0.00 O ATOM 916 CB CYS A 63 -2.070 6.219 -1.800 1.00 0.00 C ATOM 917 SG CYS A 63 -3.029 7.047 -0.479 1.00 0.00 S ATOM 0 H CYS A 63 -1.175 5.380 -3.990 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.524 7.634 -3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.674 5.414 -2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.189 5.758 -1.355 1.00 0.00 H new ATOM 922 N HIS A 64 0.536 7.701 -2.021 1.00 0.00 N ATOM 923 CA HIS A 64 1.584 8.583 -1.538 1.00 0.00 C ATOM 924 C HIS A 64 1.707 9.792 -2.467 1.00 0.00 C ATOM 925 O HIS A 64 1.372 10.912 -2.083 1.00 0.00 O ATOM 926 CB HIS A 64 2.902 7.823 -1.376 1.00 0.00 C ATOM 927 CG HIS A 64 3.655 8.160 -0.111 1.00 0.00 C ATOM 928 ND1 HIS A 64 4.782 7.469 0.297 1.00 0.00 N ATOM 929 CD2 HIS A 64 3.431 9.122 0.830 1.00 0.00 C ATOM 930 CE1 HIS A 64 5.209 7.999 1.434 1.00 0.00 C ATOM 931 NE2 HIS A 64 4.369 9.022 1.763 1.00 0.00 N ATOM 0 H HIS A 64 0.765 6.708 -1.988 1.00 0.00 H new ATOM 0 HA HIS A 64 1.322 8.955 -0.548 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.696 6.753 -1.390 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.540 8.036 -2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.627 9.843 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.070 7.678 2.000 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.449 9.613 2.590 1.00 0.00 H new ATOM 939 N LYS A 65 2.189 9.525 -3.672 1.00 0.00 N ATOM 940 CA LYS A 65 2.360 10.577 -4.660 1.00 0.00 C ATOM 941 C LYS A 65 1.071 11.396 -4.755 1.00 0.00 C ATOM 942 O LYS A 65 1.116 12.621 -4.862 1.00 0.00 O ATOM 943 CB LYS A 65 2.816 9.989 -5.996 1.00 0.00 C ATOM 944 CG LYS A 65 4.342 9.894 -6.062 1.00 0.00 C ATOM 945 CD LYS A 65 4.839 10.039 -7.502 1.00 0.00 C ATOM 946 CE LYS A 65 6.050 9.140 -7.757 1.00 0.00 C ATOM 947 NZ LYS A 65 5.687 8.026 -8.662 1.00 0.00 N ATOM 0 H LYS A 65 2.467 8.595 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 65 3.151 11.262 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.380 8.999 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.451 10.610 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.786 10.672 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.668 8.937 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.038 9.781 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.106 11.078 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.858 9.725 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.421 8.743 -6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.520 7.425 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.931 7.459 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.355 8.410 -9.569 1.00 0.00 H new ATOM 961 N ALA A 66 -0.047 10.686 -4.715 1.00 0.00 N ATOM 962 CA ALA A 66 -1.346 11.332 -4.796 1.00 0.00 C ATOM 963 C ALA A 66 -1.491 12.323 -3.639 1.00 0.00 C ATOM 964 O ALA A 66 -1.941 13.451 -3.837 1.00 0.00 O ATOM 965 CB ALA A 66 -2.446 10.268 -4.793 1.00 0.00 C ATOM 0 H ALA A 66 -0.080 9.670 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.438 11.894 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.421 10.752 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.315 9.607 -5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.387 9.686 -3.873 1.00 0.00 H new ATOM 971 N CYS A 67 -1.102 11.867 -2.458 1.00 0.00 N ATOM 972 CA CYS A 67 -1.183 12.699 -1.270 1.00 0.00 C ATOM 973 C CYS A 67 -0.173 13.840 -1.413 1.00 0.00 C ATOM 974 O CYS A 67 -0.491 14.995 -1.133 1.00 0.00 O ATOM 975 CB CYS A 67 -0.951 11.888 0.006 1.00 0.00 C ATOM 976 SG CYS A 67 -0.369 12.864 1.441 1.00 0.00 S ATOM 0 H CYS A 67 -0.729 10.931 -2.298 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.187 13.113 -1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.882 11.389 0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.221 11.107 -0.205 1.00 0.00 H new ATOM 981 N ARG A 68 1.024 13.476 -1.848 1.00 0.00 N ATOM 982 CA ARG A 68 2.083 14.454 -2.032 1.00 0.00 C ATOM 983 C ARG A 68 1.602 15.594 -2.932 1.00 0.00 C ATOM 984 O ARG A 68 1.578 16.751 -2.514 1.00 0.00 O ATOM 985 CB ARG A 68 3.325 13.812 -2.654 1.00 0.00 C ATOM 986 CG ARG A 68 4.440 14.842 -2.839 1.00 0.00 C ATOM 987 CD ARG A 68 5.783 14.156 -3.097 1.00 0.00 C ATOM 988 NE ARG A 68 6.335 14.596 -4.398 1.00 0.00 N ATOM 989 CZ ARG A 68 7.258 13.916 -5.091 1.00 0.00 C ATOM 990 NH1 ARG A 68 7.738 12.760 -4.613 1.00 0.00 N ATOM 991 NH2 ARG A 68 7.701 14.391 -6.263 1.00 0.00 N ATOM 0 H ARG A 68 1.284 12.517 -2.079 1.00 0.00 H new ATOM 0 HA ARG A 68 2.345 14.847 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.677 13.000 -2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.068 13.372 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.197 15.500 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.512 15.468 -1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.483 14.395 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.654 13.074 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 68 5.991 15.472 -4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.401 12.398 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.441 12.242 -5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.335 15.271 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.404 13.873 -6.790 1.00 0.00 H new ATOM 1005 N ALA A 69 1.232 15.228 -4.150 1.00 0.00 N ATOM 1006 CA ALA A 69 0.753 16.206 -5.112 1.00 0.00 C ATOM 1007 C ALA A 69 -0.509 16.877 -4.567 1.00 0.00 C ATOM 1008 O ALA A 69 -0.695 18.081 -4.729 1.00 0.00 O ATOM 1009 CB ALA A 69 0.513 15.521 -6.460 1.00 0.00 C ATOM 0 H ALA A 69 1.254 14.268 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 69 1.498 16.985 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.154 16.254 -7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.446 15.086 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.232 14.734 -6.341 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.343 16.067 -3.931 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.582 16.567 -3.360 1.00 0.00 C ATOM 1017 C ALA A 70 -2.260 17.512 -2.201 1.00 0.00 C ATOM 1018 O ALA A 70 -2.165 18.724 -2.391 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.457 15.389 -2.926 1.00 0.00 C ATOM 0 H ALA A 70 -1.185 15.068 -3.799 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.144 17.135 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.386 15.764 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.682 14.765 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.927 14.797 -2.180 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.101 16.922 -1.025 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.791 17.697 0.165 1.00 0.00 C ATOM 1027 C ASN A 71 -0.732 18.747 -0.177 1.00 0.00 C ATOM 1028 O ASN A 71 -1.022 19.943 -0.194 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.230 16.803 1.273 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.228 16.666 2.424 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -2.117 17.309 3.455 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.205 15.795 2.192 1.00 0.00 N ATOM 0 H ASN A 71 -2.181 15.917 -0.871 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.712 18.166 0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.999 15.818 0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.295 17.222 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.921 15.632 2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.238 15.290 1.306 1.00 0.00 H new ATOM 1039 N CYS A 72 0.473 18.263 -0.441 1.00 0.00 N ATOM 1040 CA CYS A 72 1.576 19.145 -0.781 1.00 0.00 C ATOM 1041 C CYS A 72 1.430 19.553 -2.248 1.00 0.00 C ATOM 1042 O CYS A 72 2.102 19.001 -3.119 1.00 0.00 O ATOM 1043 CB CYS A 72 2.930 18.491 -0.502 1.00 0.00 C ATOM 1044 SG CYS A 72 3.123 17.817 1.189 1.00 0.00 S ATOM 0 H CYS A 72 0.709 17.271 -0.426 1.00 0.00 H new ATOM 0 HA CYS A 72 1.541 20.035 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.083 17.684 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.716 19.226 -0.677 1.00 0.00 H new ATOM 1049 N ALA A 73 0.548 20.515 -2.478 1.00 0.00 N ATOM 1050 CA ALA A 73 0.306 21.002 -3.825 1.00 0.00 C ATOM 1051 C ALA A 73 1.165 22.243 -4.076 1.00 0.00 C ATOM 1052 O ALA A 73 1.879 22.316 -5.075 1.00 0.00 O ATOM 1053 CB ALA A 73 -1.187 21.280 -4.007 1.00 0.00 C ATOM 0 H ALA A 73 -0.008 20.970 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 73 0.590 20.250 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.368 21.645 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.750 20.361 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.508 22.032 -3.286 1.00 0.00 H new ATOM 1059 N SER A 74 1.068 23.188 -3.152 1.00 0.00 N ATOM 1060 CA SER A 74 1.827 24.422 -3.260 1.00 0.00 C ATOM 1061 C SER A 74 3.097 24.331 -2.412 1.00 0.00 C ATOM 1062 O SER A 74 3.544 25.329 -1.849 1.00 0.00 O ATOM 1063 CB SER A 74 0.986 25.625 -2.831 1.00 0.00 C ATOM 1064 OG SER A 74 0.329 26.239 -3.936 1.00 0.00 O ATOM 0 H SER A 74 0.475 23.124 -2.325 1.00 0.00 H new ATOM 0 HA SER A 74 2.105 24.562 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.243 25.306 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.626 26.357 -2.337 1.00 0.00 H new ATOM 0 HG SER A 74 -0.199 27.002 -3.620 1.00 0.00 H new ATOM 1070 N GLU A 75 3.641 23.125 -2.346 1.00 0.00 N ATOM 1071 CA GLU A 75 4.851 22.891 -1.575 1.00 0.00 C ATOM 1072 C GLU A 75 5.937 22.281 -2.463 1.00 0.00 C ATOM 1073 O GLU A 75 7.109 22.635 -2.348 1.00 0.00 O ATOM 1074 CB GLU A 75 4.566 21.999 -0.365 1.00 0.00 C ATOM 1075 CG GLU A 75 3.990 22.813 0.794 1.00 0.00 C ATOM 1076 CD GLU A 75 5.092 23.583 1.525 1.00 0.00 C ATOM 1077 OE1 GLU A 75 5.741 24.416 0.857 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.260 23.320 2.735 1.00 0.00 O ATOM 0 H GLU A 75 3.267 22.299 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 75 5.211 23.849 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.865 21.213 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.485 21.507 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.243 23.511 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.481 22.148 1.492 1.00 0.00 H new ATOM 1085 N CYS A 76 5.508 21.375 -3.330 1.00 0.00 N ATOM 1086 CA CYS A 76 6.429 20.712 -4.237 1.00 0.00 C ATOM 1087 C CYS A 76 6.352 21.412 -5.595 1.00 0.00 C ATOM 1088 O CYS A 76 5.353 21.292 -6.303 1.00 0.00 O ATOM 1089 CB CYS A 76 6.134 19.215 -4.349 1.00 0.00 C ATOM 1090 SG CYS A 76 5.438 18.455 -2.836 1.00 0.00 S ATOM 0 H CYS A 76 4.535 21.085 -3.423 1.00 0.00 H new ATOM 0 HA CYS A 76 7.444 20.787 -3.847 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.437 19.057 -5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.056 18.696 -4.608 1.00 0.00 H new ATOM 1095 N PRO A 77 7.447 22.146 -5.927 1.00 0.00 N ATOM 1096 CA PRO A 77 7.513 22.865 -7.188 1.00 0.00 C ATOM 1097 C PRO A 77 7.760 21.905 -8.354 1.00 0.00 C ATOM 1098 O PRO A 77 7.570 20.698 -8.220 1.00 0.00 O ATOM 1099 CB PRO A 77 8.631 23.878 -7.005 1.00 0.00 C ATOM 1100 CG PRO A 77 9.455 23.382 -5.828 1.00 0.00 C ATOM 1101 CD PRO A 77 8.649 22.310 -5.113 1.00 0.00 C ATOM 0 HA PRO A 77 6.577 23.366 -7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.241 23.953 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.229 24.872 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.407 22.978 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.684 24.204 -5.149 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.208 21.377 -5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.400 22.614 -4.096 1.00 0.00 H new ATOM 1109 N LYS A 78 8.181 22.479 -9.472 1.00 0.00 N ATOM 1110 CA LYS A 78 8.457 21.690 -10.660 1.00 0.00 C ATOM 1111 C LYS A 78 9.970 21.605 -10.871 1.00 0.00 C ATOM 1112 O LYS A 78 10.720 22.426 -10.347 1.00 0.00 O ATOM 1113 CB LYS A 78 7.698 22.252 -11.864 1.00 0.00 C ATOM 1114 CG LYS A 78 6.923 21.149 -12.587 1.00 0.00 C ATOM 1115 CD LYS A 78 7.058 21.289 -14.105 1.00 0.00 C ATOM 1116 CE LYS A 78 7.420 19.949 -14.749 1.00 0.00 C ATOM 1117 NZ LYS A 78 6.270 19.412 -15.510 1.00 0.00 N ATOM 0 H LYS A 78 8.338 23.481 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 78 8.096 20.670 -10.532 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.009 23.029 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.399 22.721 -12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.294 20.173 -12.274 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.871 21.195 -12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.122 21.657 -14.525 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.824 22.028 -14.339 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.275 20.077 -15.413 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.718 19.238 -13.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.533 18.502 -15.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.464 19.271 -14.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.004 20.085 -16.257 1.00 0.00 H new ATOM 1131 N HIS A 79 10.372 20.603 -11.640 1.00 0.00 N ATOM 1132 CA HIS A 79 11.782 20.400 -11.927 1.00 0.00 C ATOM 1133 C HIS A 79 12.587 20.481 -10.628 1.00 0.00 C ATOM 1134 O HIS A 79 13.421 21.370 -10.465 1.00 0.00 O ATOM 1135 CB HIS A 79 12.268 21.389 -12.988 1.00 0.00 C ATOM 1136 CG HIS A 79 12.404 20.791 -14.368 1.00 0.00 C ATOM 1137 ND1 HIS A 79 12.546 21.562 -15.509 1.00 0.00 N ATOM 1138 CD2 HIS A 79 12.420 19.490 -14.779 1.00 0.00 C ATOM 1139 CE1 HIS A 79 12.640 20.751 -16.553 1.00 0.00 C ATOM 1140 NE2 HIS A 79 12.561 19.468 -16.098 1.00 0.00 N ATOM 0 H HIS A 79 9.746 19.924 -12.073 1.00 0.00 H new ATOM 0 HA HIS A 79 11.932 19.405 -12.345 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.573 22.228 -13.033 1.00 0.00 H new ATOM 0 HB3 HIS A 79 13.233 21.791 -12.680 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.333 18.625 -14.139 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.758 21.053 -17.583 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.603 18.629 -16.677 1.00 0.00 H new ATOM 1148 N GLU A 80 12.308 19.541 -9.738 1.00 0.00 N ATOM 1149 CA GLU A 80 12.996 19.494 -8.458 1.00 0.00 C ATOM 1150 C GLU A 80 13.025 18.061 -7.923 1.00 0.00 C ATOM 1151 O GLU A 80 12.164 17.251 -8.262 1.00 0.00 O ATOM 1152 CB GLU A 80 12.344 20.443 -7.451 1.00 0.00 C ATOM 1153 CG GLU A 80 13.014 21.818 -7.480 1.00 0.00 C ATOM 1154 CD GLU A 80 13.566 22.188 -6.102 1.00 0.00 C ATOM 1155 OE1 GLU A 80 12.741 22.567 -5.242 1.00 0.00 O ATOM 1156 OE2 GLU A 80 14.801 22.084 -5.939 1.00 0.00 O ATOM 0 H GLU A 80 11.615 18.806 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 80 14.024 19.825 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.283 20.547 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.416 20.021 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.822 21.817 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.294 22.571 -7.801 1.00 0.00 H new ATOM 1163 N HIS A 81 14.024 17.793 -7.095 1.00 0.00 N ATOM 1164 CA HIS A 81 14.176 16.472 -6.510 1.00 0.00 C ATOM 1165 C HIS A 81 13.638 16.480 -5.078 1.00 0.00 C ATOM 1166 O HIS A 81 14.409 16.543 -4.121 1.00 0.00 O ATOM 1167 CB HIS A 81 15.631 16.005 -6.594 1.00 0.00 C ATOM 1168 CG HIS A 81 16.203 16.024 -7.991 1.00 0.00 C ATOM 1169 ND1 HIS A 81 16.608 14.877 -8.651 1.00 0.00 N ATOM 1170 CD2 HIS A 81 16.431 17.061 -8.847 1.00 0.00 C ATOM 1171 CE1 HIS A 81 17.059 15.221 -9.848 1.00 0.00 C ATOM 1172 NE2 HIS A 81 16.949 16.575 -9.968 1.00 0.00 N ATOM 0 H HIS A 81 14.736 18.468 -6.816 1.00 0.00 H new ATOM 0 HA HIS A 81 13.590 15.749 -7.077 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.243 16.640 -5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.700 14.992 -6.198 1.00 0.00 H new ATOM 0 HD2 HIS A 81 16.225 18.102 -8.646 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.446 14.547 -10.598 1.00 0.00 H new ATOM 0 HE2 HIS A 81 17.220 17.123 -10.784 1.00 0.00 H new ATOM 1180 N LYS A 82 12.319 16.415 -4.975 1.00 0.00 N ATOM 1181 CA LYS A 82 11.668 16.414 -3.676 1.00 0.00 C ATOM 1182 C LYS A 82 12.306 17.486 -2.790 1.00 0.00 C ATOM 1183 O LYS A 82 13.255 17.208 -2.059 1.00 0.00 O ATOM 1184 CB LYS A 82 11.697 15.013 -3.063 1.00 0.00 C ATOM 1185 CG LYS A 82 10.735 14.074 -3.794 1.00 0.00 C ATOM 1186 CD LYS A 82 11.099 12.610 -3.542 1.00 0.00 C ATOM 1187 CE LYS A 82 11.778 11.994 -4.767 1.00 0.00 C ATOM 1188 NZ LYS A 82 13.163 12.499 -4.900 1.00 0.00 N ATOM 0 H LYS A 82 11.683 16.363 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 82 10.613 16.670 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.709 14.612 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.426 15.068 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.715 14.261 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.763 14.280 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.763 12.540 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.199 12.045 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.788 10.908 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.209 12.234 -5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.610 12.071 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.147 13.533 -5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.707 12.248 -4.050 1.00 0.00 H new ATOM 1202 N SER A 83 11.760 18.689 -2.885 1.00 0.00 N ATOM 1203 CA SER A 83 12.264 19.804 -2.102 1.00 0.00 C ATOM 1204 C SER A 83 12.055 19.533 -0.611 1.00 0.00 C ATOM 1205 O SER A 83 11.287 18.646 -0.239 1.00 0.00 O ATOM 1206 CB SER A 83 11.581 21.113 -2.503 1.00 0.00 C ATOM 1207 OG SER A 83 10.191 21.108 -2.189 1.00 0.00 O ATOM 0 H SER A 83 10.973 18.916 -3.493 1.00 0.00 H new ATOM 0 HA SER A 83 13.331 19.906 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.065 21.946 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.710 21.276 -3.573 1.00 0.00 H new ATOM 0 HG SER A 83 9.685 20.756 -2.951 1.00 0.00 H new ATOM 1213 N ASP A 84 12.752 20.312 0.203 1.00 0.00 N ATOM 1214 CA ASP A 84 12.653 20.166 1.646 1.00 0.00 C ATOM 1215 C ASP A 84 11.229 20.505 2.091 1.00 0.00 C ATOM 1216 O ASP A 84 10.614 19.751 2.844 1.00 0.00 O ATOM 1217 CB ASP A 84 13.612 21.118 2.363 1.00 0.00 C ATOM 1218 CG ASP A 84 13.682 22.529 1.776 1.00 0.00 C ATOM 1219 OD1 ASP A 84 13.953 22.625 0.560 1.00 0.00 O ATOM 1220 OD2 ASP A 84 13.462 23.480 2.557 1.00 0.00 O ATOM 0 H ASP A 84 13.388 21.046 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 84 12.910 19.138 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.314 21.190 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.612 20.684 2.346 1.00 0.00 H new ATOM 1225 N THR A 85 10.747 21.641 1.608 1.00 0.00 N ATOM 1226 CA THR A 85 9.407 22.090 1.948 1.00 0.00 C ATOM 1227 C THR A 85 8.385 20.993 1.644 1.00 0.00 C ATOM 1228 O THR A 85 7.446 20.784 2.412 1.00 0.00 O ATOM 1229 CB THR A 85 9.140 23.394 1.194 1.00 0.00 C ATOM 1230 OG1 THR A 85 8.208 24.088 2.020 1.00 0.00 O ATOM 1231 CG2 THR A 85 8.382 23.169 -0.116 1.00 0.00 C ATOM 0 H THR A 85 11.260 22.264 0.984 1.00 0.00 H new ATOM 0 HA THR A 85 9.316 22.290 3.016 1.00 0.00 H new ATOM 0 HB THR A 85 10.087 23.892 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.404 24.299 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.219 24.126 -0.611 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.966 22.519 -0.767 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.420 22.701 0.096 1.00 0.00 H new ATOM 1239 N CYS A 86 8.601 20.320 0.523 1.00 0.00 N ATOM 1240 CA CYS A 86 7.710 19.250 0.109 1.00 0.00 C ATOM 1241 C CYS A 86 7.824 18.110 1.123 1.00 0.00 C ATOM 1242 O CYS A 86 6.866 17.807 1.832 1.00 0.00 O ATOM 1243 CB CYS A 86 8.015 18.779 -1.315 1.00 0.00 C ATOM 1244 SG CYS A 86 6.911 17.460 -1.940 1.00 0.00 S ATOM 0 H CYS A 86 9.380 20.495 -0.111 1.00 0.00 H new ATOM 0 HA CYS A 86 6.683 19.616 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.952 19.635 -1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.044 18.420 -1.351 1.00 0.00 H new ATOM 1249 N ARG A 87 9.005 17.509 1.160 1.00 0.00 N ATOM 1250 CA ARG A 87 9.257 16.410 2.076 1.00 0.00 C ATOM 1251 C ARG A 87 8.867 16.806 3.501 1.00 0.00 C ATOM 1252 O ARG A 87 8.512 15.952 4.312 1.00 0.00 O ATOM 1253 CB ARG A 87 10.731 16.000 2.053 1.00 0.00 C ATOM 1254 CG ARG A 87 11.145 15.522 0.660 1.00 0.00 C ATOM 1255 CD ARG A 87 12.349 14.580 0.739 1.00 0.00 C ATOM 1256 NE ARG A 87 11.952 13.304 1.374 1.00 0.00 N ATOM 1257 CZ ARG A 87 12.683 12.182 1.327 1.00 0.00 C ATOM 1258 NH1 ARG A 87 13.854 12.172 0.674 1.00 0.00 N ATOM 1259 NH2 ARG A 87 12.245 11.071 1.933 1.00 0.00 N ATOM 0 H ARG A 87 9.797 17.763 0.570 1.00 0.00 H new ATOM 0 HA ARG A 87 8.651 15.564 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.352 16.845 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.903 15.206 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.309 15.010 0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.391 16.381 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.740 14.392 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.150 15.047 1.312 1.00 0.00 H new ATOM 0 HE ARG A 87 11.066 13.277 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.188 13.018 0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.411 11.318 0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.355 11.079 2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.802 10.217 1.897 1.00 0.00 H new ATOM 1273 N ALA A 88 8.946 18.102 3.763 1.00 0.00 N ATOM 1274 CA ALA A 88 8.606 18.622 5.077 1.00 0.00 C ATOM 1275 C ALA A 88 7.083 18.680 5.219 1.00 0.00 C ATOM 1276 O ALA A 88 6.539 18.301 6.255 1.00 0.00 O ATOM 1277 CB ALA A 88 9.261 19.991 5.270 1.00 0.00 C ATOM 0 H ALA A 88 9.240 18.808 3.088 1.00 0.00 H new ATOM 0 HA ALA A 88 8.986 17.965 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.006 20.381 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.343 19.891 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.901 20.678 4.504 1.00 0.00 H new ATOM 1283 N CYS A 89 6.440 19.156 4.164 1.00 0.00 N ATOM 1284 CA CYS A 89 4.991 19.268 4.159 1.00 0.00 C ATOM 1285 C CYS A 89 4.401 17.873 4.379 1.00 0.00 C ATOM 1286 O CYS A 89 3.688 17.645 5.355 1.00 0.00 O ATOM 1287 CB CYS A 89 4.478 19.907 2.866 1.00 0.00 C ATOM 1288 SG CYS A 89 2.768 19.444 2.408 1.00 0.00 S ATOM 0 H CYS A 89 6.895 19.469 3.306 1.00 0.00 H new ATOM 0 HA CYS A 89 4.671 19.928 4.965 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.531 20.991 2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.146 19.629 2.050 1.00 0.00 H new ATOM 1293 N MET A 90 4.720 16.978 3.457 1.00 0.00 N ATOM 1294 CA MET A 90 4.230 15.612 3.538 1.00 0.00 C ATOM 1295 C MET A 90 4.411 15.048 4.949 1.00 0.00 C ATOM 1296 O MET A 90 3.678 14.150 5.361 1.00 0.00 O ATOM 1297 CB MET A 90 4.987 14.737 2.537 1.00 0.00 C ATOM 1298 CG MET A 90 4.575 15.065 1.101 1.00 0.00 C ATOM 1299 SD MET A 90 5.180 13.806 -0.010 1.00 0.00 S ATOM 1300 CE MET A 90 3.991 12.513 0.309 1.00 0.00 C ATOM 0 H MET A 90 5.312 17.171 2.649 1.00 0.00 H new ATOM 0 HA MET A 90 3.166 15.613 3.301 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.060 14.888 2.655 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.789 13.686 2.745 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.489 15.132 1.032 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.973 16.038 0.813 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.169 11.679 -0.370 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.094 12.170 1.339 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.983 12.899 0.154 1.00 0.00 H new ATOM 1310 N LYS A 91 5.391 15.598 5.650 1.00 0.00 N ATOM 1311 CA LYS A 91 5.678 15.161 7.006 1.00 0.00 C ATOM 1312 C LYS A 91 4.376 15.116 7.809 1.00 0.00 C ATOM 1313 O LYS A 91 3.975 14.057 8.288 1.00 0.00 O ATOM 1314 CB LYS A 91 6.759 16.043 7.636 1.00 0.00 C ATOM 1315 CG LYS A 91 7.453 15.318 8.791 1.00 0.00 C ATOM 1316 CD LYS A 91 8.878 15.839 8.988 1.00 0.00 C ATOM 1317 CE LYS A 91 9.864 14.683 9.164 1.00 0.00 C ATOM 1318 NZ LYS A 91 11.237 15.199 9.365 1.00 0.00 N ATOM 0 H LYS A 91 5.997 16.343 5.305 1.00 0.00 H new ATOM 0 HA LYS A 91 6.086 14.150 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.495 16.319 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.312 16.969 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.881 15.457 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.478 14.247 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.170 16.443 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.914 16.489 9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.570 14.073 10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.837 14.037 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.894 14.401 9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.521 15.762 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.262 15.797 10.216 1.00 0.00 H new ATOM 1332 N THR A 92 3.753 16.279 7.930 1.00 0.00 N ATOM 1333 CA THR A 92 2.505 16.385 8.667 1.00 0.00 C ATOM 1334 C THR A 92 1.315 16.354 7.706 1.00 0.00 C ATOM 1335 O THR A 92 0.178 16.143 8.127 1.00 0.00 O ATOM 1336 CB THR A 92 2.565 17.655 9.518 1.00 0.00 C ATOM 1337 OG1 THR A 92 3.560 17.369 10.497 1.00 0.00 O ATOM 1338 CG2 THR A 92 1.290 17.873 10.336 1.00 0.00 C ATOM 0 H THR A 92 4.089 17.155 7.530 1.00 0.00 H new ATOM 0 HA THR A 92 2.366 15.535 9.335 1.00 0.00 H new ATOM 0 HB THR A 92 2.734 18.517 8.872 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.665 18.141 11.091 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.385 18.787 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.437 17.960 9.663 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.139 17.027 11.006 1.00 0.00 H new ATOM 1346 N ASN A 93 1.616 16.566 6.433 1.00 0.00 N ATOM 1347 CA ASN A 93 0.585 16.564 5.410 1.00 0.00 C ATOM 1348 C ASN A 93 0.623 15.233 4.656 1.00 0.00 C ATOM 1349 O ASN A 93 0.307 15.179 3.469 1.00 0.00 O ATOM 1350 CB ASN A 93 0.814 17.687 4.396 1.00 0.00 C ATOM 1351 CG ASN A 93 0.632 19.060 5.048 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.471 19.548 5.231 1.00 0.00 O ATOM 1353 ND2 ASN A 93 1.773 19.652 5.388 1.00 0.00 N ATOM 0 H ASN A 93 2.560 16.740 6.087 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.377 16.710 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.819 17.608 3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.117 17.580 3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.759 20.571 5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.663 19.187 5.206 1.00 0.00 H new ATOM 1360 N CYS A 94 1.011 14.192 5.378 1.00 0.00 N ATOM 1361 CA CYS A 94 1.093 12.865 4.793 1.00 0.00 C ATOM 1362 C CYS A 94 1.647 11.907 5.850 1.00 0.00 C ATOM 1363 O CYS A 94 2.860 11.801 6.022 1.00 0.00 O ATOM 1364 CB CYS A 94 1.941 12.860 3.519 1.00 0.00 C ATOM 1365 SG CYS A 94 1.252 11.870 2.142 1.00 0.00 S ATOM 0 H CYS A 94 1.272 14.241 6.363 1.00 0.00 H new ATOM 0 HA CYS A 94 0.099 12.536 4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.069 13.888 3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.933 12.479 3.761 1.00 0.00 H new ATOM 1370 N LYS A 95 0.731 11.234 6.530 1.00 0.00 N ATOM 1371 CA LYS A 95 1.112 10.288 7.565 1.00 0.00 C ATOM 1372 C LYS A 95 2.327 9.486 7.095 1.00 0.00 C ATOM 1373 O LYS A 95 2.418 8.285 7.346 1.00 0.00 O ATOM 1374 CB LYS A 95 -0.082 9.419 7.963 1.00 0.00 C ATOM 1375 CG LYS A 95 -0.399 9.571 9.452 1.00 0.00 C ATOM 1376 CD LYS A 95 0.218 8.430 10.264 1.00 0.00 C ATOM 1377 CE LYS A 95 -0.865 7.607 10.965 1.00 0.00 C ATOM 1378 NZ LYS A 95 -1.564 6.736 9.994 1.00 0.00 N ATOM 0 H LYS A 95 -0.274 11.325 6.385 1.00 0.00 H new ATOM 0 HA LYS A 95 1.409 10.815 8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.954 9.699 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.133 8.374 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.018 10.526 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.479 9.583 9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.801 7.785 9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.907 8.837 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.417 6.999 11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.581 8.273 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.296 6.185 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.008 7.322 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.880 6.088 9.554 1.00 0.00 H new