USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 538 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 72 THR OG1 : rot -75:sc= -0.663! USER MOD Set 1.2: A 102 LYS NZ :NH3+ -148:sc= 1.68 (180deg=0.954) USER MOD Set 2.1: A 80 SER OG : rot 171:sc= 0.632 USER MOD Set 2.2: A 82 LYS NZ :NH3+ -153:sc= 0.292 (180deg=-0.00926) USER MOD Set 3.1: A 74 CYS SG : rot -152:sc= 1.79 USER MOD Set 3.2: A 76 CYS SG : rot 96:sc= 0.535 USER MOD Set 3.3: A 81 CYS SG : rot -160:sc= 0.134 USER MOD Set 3.4: A 83 CYS SG : rot -175:sc= 0.338 USER MOD Set 3.5: A 85 LYS NZ :NH3+ -161:sc= -0.0683 (180deg=-0.423) USER MOD Set 3.6: A 87 CYS SG : rot 100:sc= 0.902 USER MOD Set 3.7: A 93 CYS SG : rot 180:sc= -0.0276 USER MOD Set 3.8: A 95 CYS SG : rot 180:sc= 0 USER MOD Set 3.9: A 99 CYS SG : rot 180:sc= 0 USER MOD Set 3.10: A 101 CYS SG : rot -170:sc= -1 USER MOD Set 4.1: A 43 CYS SG : rot 180:sc= -0.198 USER MOD Set 4.2: A 44 THR OG1 : rot -179:sc= 0.177 USER MOD Set 4.3: A 61 CYS SG : rot -93:sc= 0.171 USER MOD Set 5.1: A 47 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 52 CYS SG : rot 180:sc= -2.19! USER MOD Set 5.3: A 65 CYS SG : rot 180:sc= 0 USER MOD Set 5.4: A 70 CYS SG : rot 180:sc= 0.102 USER MOD Set 6.1: A 15 CYS SG : rot -37:sc= 0.00761 USER MOD Set 6.2: A 20 CYS SG : rot 180:sc= 0 USER MOD Set 6.3: A 34 CYS SG : rot 180:sc= -0.348 USER MOD Set 6.4: A 36 SER OG : rot 106:sc= 0.0491 USER MOD Single : A 11 CYS SG : rot 180:sc= -1.2! USER MOD Single : A 12 THR OG1 : rot 112:sc= -0.0203 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.027) USER MOD Single : A 18 THR OG1 : rot 49:sc= 0.0349 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.175 USER MOD Single : A 24 SER OG : rot -31:sc= 0.829 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.662 USER MOD Single : A 27 ASN : amide:sc= -0.493 K(o=-0.49,f=-4.4!) USER MOD Single : A 28 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.0447 USER MOD Single : A 35 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.5) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.12) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 0.667 (180deg=-0.306) USER MOD Single : A 49 GLN : amide:sc= -0.542 K(o=-0.54,f=-1.1) USER MOD Single : A 50 THR OG1 : rot 73:sc= 0.976 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.252 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.345 USER MOD Single : A 60 ASN : amide:sc=-0.00458 X(o=-0.0046,f=0) USER MOD Single : A 62 THR OG1 : rot 156:sc= 1.35 USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= -0.0196 (180deg=-0.941) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.245 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 69 SER OG : rot 150:sc= -0.0369 USER MOD Single : A 71 SER OG : rot -120:sc= -0.481! USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0.877 (180deg=0.656) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= -1.39 (180deg=-2.8!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 -1.128 -10.491 -22.609 1.00 0.00 N ATOM 94 CA GLY A 8 -2.519 -10.650 -22.909 1.00 0.00 C ATOM 95 C GLY A 8 -3.386 -9.616 -22.234 1.00 0.00 C ATOM 96 O GLY A 8 -3.959 -8.755 -22.893 1.00 0.00 O ATOM 0 HA2 GLY A 8 -2.662 -10.589 -23.988 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.841 -11.645 -22.600 1.00 0.00 H new ATOM 100 N ALA A 9 -3.446 -9.676 -20.923 1.00 0.00 N ATOM 101 CA ALA A 9 -4.319 -8.796 -20.145 1.00 0.00 C ATOM 102 C ALA A 9 -3.687 -7.427 -19.880 1.00 0.00 C ATOM 103 O ALA A 9 -4.348 -6.519 -19.376 1.00 0.00 O ATOM 104 CB ALA A 9 -4.708 -9.467 -18.842 1.00 0.00 C ATOM 0 H ALA A 9 -2.899 -10.328 -20.360 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.214 -8.618 -20.741 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.358 -8.804 -18.271 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.236 -10.397 -19.055 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.811 -9.684 -18.262 1.00 0.00 H new ATOM 110 N GLY A 10 -2.421 -7.280 -20.230 1.00 0.00 N ATOM 111 CA GLY A 10 -1.732 -6.016 -20.032 1.00 0.00 C ATOM 112 C GLY A 10 -2.032 -5.036 -21.143 1.00 0.00 C ATOM 113 O GLY A 10 -1.149 -4.665 -21.914 1.00 0.00 O ATOM 0 H GLY A 10 -1.852 -8.015 -20.650 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.030 -5.585 -19.076 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.657 -6.191 -19.982 1.00 0.00 H new ATOM 117 N CYS A 11 -3.273 -4.630 -21.231 1.00 0.00 N ATOM 118 CA CYS A 11 -3.710 -3.725 -22.278 1.00 0.00 C ATOM 119 C CYS A 11 -3.448 -2.254 -21.901 1.00 0.00 C ATOM 120 O CYS A 11 -2.702 -1.971 -20.961 1.00 0.00 O ATOM 121 CB CYS A 11 -5.182 -3.954 -22.572 1.00 0.00 C ATOM 122 SG CYS A 11 -5.687 -3.397 -24.204 1.00 0.00 S ATOM 0 H CYS A 11 -4.010 -4.912 -20.585 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.130 -3.935 -23.177 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.401 -5.017 -22.477 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.778 -3.437 -21.820 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.955 -3.633 -24.370 1.00 0.00 H new ATOM 127 N THR A 12 -4.069 -1.326 -22.631 1.00 0.00 N ATOM 128 CA THR A 12 -3.834 0.091 -22.417 1.00 0.00 C ATOM 129 C THR A 12 -5.144 0.887 -22.425 1.00 0.00 C ATOM 130 O THR A 12 -6.146 0.458 -23.002 1.00 0.00 O ATOM 131 CB THR A 12 -2.868 0.662 -23.496 1.00 0.00 C ATOM 132 OG1 THR A 12 -2.618 2.052 -23.261 1.00 0.00 O ATOM 133 CG2 THR A 12 -3.443 0.487 -24.895 1.00 0.00 C ATOM 0 H THR A 12 -4.736 -1.536 -23.373 1.00 0.00 H new ATOM 0 HA THR A 12 -3.374 0.195 -21.434 1.00 0.00 H new ATOM 0 HB THR A 12 -1.933 0.107 -23.426 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.683 2.176 -22.996 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.747 0.895 -25.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.600 -0.573 -25.094 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.395 1.014 -24.966 1.00 0.00 H new ATOM 141 N ASP A 13 -5.118 2.047 -21.783 1.00 0.00 N ATOM 142 CA ASP A 13 -6.282 2.931 -21.705 1.00 0.00 C ATOM 143 C ASP A 13 -6.509 3.644 -23.034 1.00 0.00 C ATOM 144 O ASP A 13 -7.639 3.958 -23.397 1.00 0.00 O ATOM 145 CB ASP A 13 -6.083 3.957 -20.585 1.00 0.00 C ATOM 146 CG ASP A 13 -7.207 4.970 -20.495 1.00 0.00 C ATOM 147 OD1 ASP A 13 -8.204 4.692 -19.802 1.00 0.00 O ATOM 148 OD2 ASP A 13 -7.083 6.060 -21.095 1.00 0.00 O ATOM 0 H ASP A 13 -4.293 2.405 -21.301 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.162 2.326 -21.486 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.998 3.433 -19.633 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.141 4.482 -20.746 1.00 0.00 H new ATOM 153 N THR A 14 -5.426 3.867 -23.773 1.00 0.00 N ATOM 154 CA THR A 14 -5.492 4.530 -25.076 1.00 0.00 C ATOM 155 C THR A 14 -6.318 3.696 -26.066 1.00 0.00 C ATOM 156 O THR A 14 -6.760 4.181 -27.114 1.00 0.00 O ATOM 157 CB THR A 14 -4.069 4.744 -25.633 1.00 0.00 C ATOM 158 OG1 THR A 14 -3.281 5.430 -24.649 1.00 0.00 O ATOM 159 CG2 THR A 14 -4.097 5.561 -26.918 1.00 0.00 C ATOM 0 H THR A 14 -4.484 3.597 -23.490 1.00 0.00 H new ATOM 0 HA THR A 14 -5.977 5.498 -24.946 1.00 0.00 H new ATOM 0 HB THR A 14 -3.634 3.770 -25.859 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.374 5.568 -24.994 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.080 5.695 -27.286 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.689 5.038 -27.669 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.542 6.536 -26.720 1.00 0.00 H new ATOM 167 N CYS A 15 -6.548 2.462 -25.696 1.00 0.00 N ATOM 168 CA CYS A 15 -7.289 1.540 -26.508 1.00 0.00 C ATOM 169 C CYS A 15 -8.792 1.679 -26.254 1.00 0.00 C ATOM 170 O CYS A 15 -9.616 1.064 -26.932 1.00 0.00 O ATOM 171 CB CYS A 15 -6.839 0.139 -26.176 1.00 0.00 C ATOM 172 SG CYS A 15 -7.385 -1.085 -27.339 1.00 0.00 S ATOM 0 H CYS A 15 -6.222 2.068 -24.813 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.104 1.756 -27.560 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.750 0.119 -26.127 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.208 -0.125 -25.185 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.586 -0.795 -27.743 1.00 0.00 H new ATOM 177 N LYS A 16 -9.144 2.489 -25.273 1.00 0.00 N ATOM 178 CA LYS A 16 -10.541 2.699 -24.927 1.00 0.00 C ATOM 179 C LYS A 16 -11.091 3.919 -25.642 1.00 0.00 C ATOM 180 O LYS A 16 -12.203 4.369 -25.362 1.00 0.00 O ATOM 181 CB LYS A 16 -10.689 2.888 -23.414 1.00 0.00 C ATOM 182 CG LYS A 16 -10.107 1.761 -22.583 1.00 0.00 C ATOM 183 CD LYS A 16 -10.694 0.428 -22.982 1.00 0.00 C ATOM 184 CE LYS A 16 -10.322 -0.659 -21.984 1.00 0.00 C ATOM 185 NZ LYS A 16 -10.812 -1.993 -22.409 1.00 0.00 N ATOM 0 H LYS A 16 -8.483 3.013 -24.700 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.104 1.820 -25.240 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.205 3.822 -23.128 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.747 2.991 -23.175 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.024 1.736 -22.707 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.303 1.946 -21.527 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.779 0.510 -23.046 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.336 0.152 -23.974 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.239 -0.690 -21.869 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.739 -0.413 -21.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.538 -2.705 -21.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.848 -1.971 -22.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.394 -2.240 -23.329 1.00 0.00 H new ATOM 199 N GLN A 17 -10.316 4.451 -26.571 1.00 0.00 N ATOM 200 CA GLN A 17 -10.707 5.663 -27.254 1.00 0.00 C ATOM 201 C GLN A 17 -11.485 5.350 -28.521 1.00 0.00 C ATOM 202 O GLN A 17 -11.429 4.232 -29.039 1.00 0.00 O ATOM 203 CB GLN A 17 -9.488 6.523 -27.592 1.00 0.00 C ATOM 204 CG GLN A 17 -8.503 6.726 -26.443 1.00 0.00 C ATOM 205 CD GLN A 17 -9.162 7.060 -25.116 1.00 0.00 C ATOM 206 OE1 GLN A 17 -9.484 8.213 -24.846 1.00 0.00 O ATOM 207 NE2 GLN A 17 -9.296 6.081 -24.260 1.00 0.00 N ATOM 0 H GLN A 17 -9.420 4.063 -26.865 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.352 6.224 -26.578 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.959 6.064 -28.427 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.834 7.500 -27.931 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.908 5.820 -26.324 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.813 7.528 -26.707 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.017 5.135 -24.520 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.679 6.263 -23.332 1.00 0.00 H new ATOM 216 N THR A 18 -12.202 6.341 -29.009 1.00 0.00 N ATOM 217 CA THR A 18 -12.990 6.211 -30.227 1.00 0.00 C ATOM 218 C THR A 18 -12.957 7.511 -31.030 1.00 0.00 C ATOM 219 O THR A 18 -13.618 8.484 -30.668 1.00 0.00 O ATOM 220 CB THR A 18 -14.460 5.849 -29.910 1.00 0.00 C ATOM 221 OG1 THR A 18 -14.905 6.582 -28.757 1.00 0.00 O ATOM 222 CG2 THR A 18 -14.621 4.356 -29.664 1.00 0.00 C ATOM 0 H THR A 18 -12.258 7.262 -28.575 1.00 0.00 H new ATOM 0 HA THR A 18 -12.548 5.407 -30.815 1.00 0.00 H new ATOM 0 HB THR A 18 -15.068 6.119 -30.773 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.682 7.530 -28.866 1.00 0.00 H new ATOM 0 HG21 THR A 18 -15.665 4.134 -29.444 1.00 0.00 H new ATOM 0 HG22 THR A 18 -14.313 3.805 -30.553 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.001 4.058 -28.819 1.00 0.00 H new ATOM 230 N PRO A 19 -12.178 7.558 -32.128 1.00 0.00 N ATOM 231 CA PRO A 19 -11.340 6.418 -32.594 1.00 0.00 C ATOM 232 C PRO A 19 -10.158 6.110 -31.646 1.00 0.00 C ATOM 233 O PRO A 19 -9.782 6.950 -30.821 1.00 0.00 O ATOM 234 CB PRO A 19 -10.808 6.896 -33.953 1.00 0.00 C ATOM 235 CG PRO A 19 -11.640 8.091 -34.321 1.00 0.00 C ATOM 236 CD PRO A 19 -12.073 8.723 -33.030 1.00 0.00 C ATOM 0 HA PRO A 19 -11.917 5.494 -32.637 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.752 7.159 -33.889 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.896 6.112 -34.705 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.064 8.794 -34.923 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.503 7.794 -34.916 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.346 9.451 -32.670 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.024 9.245 -33.132 1.00 0.00 H new ATOM 244 N CYS A 20 -9.582 4.900 -31.768 1.00 0.00 N ATOM 245 CA CYS A 20 -8.455 4.489 -30.922 1.00 0.00 C ATOM 246 C CYS A 20 -7.245 5.382 -31.148 1.00 0.00 C ATOM 247 O CYS A 20 -6.979 5.819 -32.271 1.00 0.00 O ATOM 248 CB CYS A 20 -8.070 3.017 -31.164 1.00 0.00 C ATOM 249 SG CYS A 20 -8.809 1.825 -30.002 1.00 0.00 S ATOM 0 H CYS A 20 -9.880 4.195 -32.442 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.781 4.593 -29.887 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.363 2.743 -32.177 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.985 2.928 -31.111 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.416 0.623 -30.305 1.00 0.00 H new ATOM 254 N GLY A 21 -6.504 5.638 -30.085 1.00 0.00 N ATOM 255 CA GLY A 21 -5.358 6.518 -30.183 1.00 0.00 C ATOM 256 C GLY A 21 -4.072 5.790 -30.524 1.00 0.00 C ATOM 257 O GLY A 21 -3.012 6.408 -30.616 1.00 0.00 O ATOM 0 H GLY A 21 -6.673 5.254 -29.156 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.553 7.274 -30.944 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.230 7.044 -29.237 1.00 0.00 H new ATOM 261 N CYS A 22 -4.157 4.483 -30.708 1.00 0.00 N ATOM 262 CA CYS A 22 -2.976 3.692 -31.023 1.00 0.00 C ATOM 263 C CYS A 22 -2.512 3.902 -32.464 1.00 0.00 C ATOM 264 O CYS A 22 -1.472 4.516 -32.712 1.00 0.00 O ATOM 265 CB CYS A 22 -3.231 2.208 -30.786 1.00 0.00 C ATOM 266 SG CYS A 22 -3.408 1.759 -29.062 1.00 0.00 S ATOM 0 H CYS A 22 -5.024 3.949 -30.646 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.186 4.035 -30.355 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.135 1.917 -31.320 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.408 1.636 -31.216 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.623 0.481 -28.966 1.00 0.00 H new ATOM 271 N GLY A 23 -3.289 3.394 -33.412 1.00 0.00 N ATOM 272 CA GLY A 23 -2.907 3.482 -34.804 1.00 0.00 C ATOM 273 C GLY A 23 -1.838 2.462 -35.141 1.00 0.00 C ATOM 274 O GLY A 23 -2.131 1.276 -35.301 1.00 0.00 O ATOM 0 H GLY A 23 -4.177 2.923 -33.240 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.781 3.320 -35.435 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.539 4.485 -35.021 1.00 0.00 H new ATOM 278 N SER A 24 -0.601 2.914 -35.228 1.00 0.00 N ATOM 279 CA SER A 24 0.515 2.028 -35.502 1.00 0.00 C ATOM 280 C SER A 24 1.386 1.881 -34.252 1.00 0.00 C ATOM 281 O SER A 24 2.477 1.302 -34.295 1.00 0.00 O ATOM 282 CB SER A 24 1.342 2.557 -36.688 1.00 0.00 C ATOM 283 OG SER A 24 2.454 1.713 -36.963 1.00 0.00 O ATOM 0 H SER A 24 -0.343 3.894 -35.112 1.00 0.00 H new ATOM 0 HA SER A 24 0.129 1.045 -35.771 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.709 2.627 -37.573 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.694 3.565 -36.467 1.00 0.00 H new ATOM 0 HG SER A 24 2.767 1.302 -36.130 1.00 0.00 H new ATOM 289 N GLY A 25 0.890 2.406 -33.145 1.00 0.00 N ATOM 290 CA GLY A 25 1.603 2.329 -31.895 1.00 0.00 C ATOM 291 C GLY A 25 0.724 1.783 -30.809 1.00 0.00 C ATOM 292 O GLY A 25 -0.013 2.530 -30.166 1.00 0.00 O ATOM 0 H GLY A 25 -0.006 2.890 -33.093 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.481 1.694 -32.011 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.961 3.320 -31.615 1.00 0.00 H new ATOM 296 N CYS A 26 0.791 0.492 -30.606 1.00 0.00 N ATOM 297 CA CYS A 26 -0.054 -0.167 -29.639 1.00 0.00 C ATOM 298 C CYS A 26 0.680 -0.432 -28.343 1.00 0.00 C ATOM 299 O CYS A 26 1.723 -1.092 -28.325 1.00 0.00 O ATOM 300 CB CYS A 26 -0.562 -1.475 -30.215 1.00 0.00 C ATOM 301 SG CYS A 26 -1.370 -1.297 -31.807 1.00 0.00 S ATOM 0 H CYS A 26 1.429 -0.130 -31.102 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.892 0.495 -29.419 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.275 -2.166 -30.318 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.262 -1.924 -29.511 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.769 -2.462 -32.224 1.00 0.00 H new ATOM 306 N ASN A 27 0.134 0.081 -27.260 1.00 0.00 N ATOM 307 CA ASN A 27 0.690 -0.165 -25.940 1.00 0.00 C ATOM 308 C ASN A 27 0.103 -1.460 -25.380 1.00 0.00 C ATOM 309 O ASN A 27 0.586 -2.012 -24.389 1.00 0.00 O ATOM 310 CB ASN A 27 0.403 1.027 -25.005 1.00 0.00 C ATOM 311 CG ASN A 27 0.971 0.845 -23.603 1.00 0.00 C ATOM 312 OD1 ASN A 27 0.283 0.375 -22.694 1.00 0.00 O ATOM 313 ND2 ASN A 27 2.225 1.215 -23.421 1.00 0.00 N ATOM 0 H ASN A 27 -0.697 0.673 -27.265 1.00 0.00 H new ATOM 0 HA ASN A 27 1.772 -0.273 -26.013 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.821 1.933 -25.444 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.675 1.174 -24.936 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.658 1.116 -22.503 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.761 1.600 -24.199 1.00 0.00 H new ATOM 320 N CYS A 28 -0.934 -1.951 -26.048 1.00 0.00 N ATOM 321 CA CYS A 28 -1.586 -3.184 -25.663 1.00 0.00 C ATOM 322 C CYS A 28 -0.791 -4.400 -26.148 1.00 0.00 C ATOM 323 O CYS A 28 0.178 -4.262 -26.900 1.00 0.00 O ATOM 324 CB CYS A 28 -3.016 -3.213 -26.204 1.00 0.00 C ATOM 325 SG CYS A 28 -3.199 -2.550 -27.879 1.00 0.00 S ATOM 0 H CYS A 28 -1.341 -1.503 -26.869 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.626 -3.230 -24.575 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.374 -4.242 -26.193 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.658 -2.645 -25.530 1.00 0.00 H new ATOM 0 HG CYS A 28 -4.445 -2.623 -28.241 1.00 0.00 H new ATOM 330 N LYS A 29 -1.197 -5.582 -25.706 1.00 0.00 N ATOM 331 CA LYS A 29 -0.501 -6.815 -26.064 1.00 0.00 C ATOM 332 C LYS A 29 -1.068 -7.393 -27.362 1.00 0.00 C ATOM 333 O LYS A 29 -2.149 -7.005 -27.794 1.00 0.00 O ATOM 334 CB LYS A 29 -0.629 -7.843 -24.929 1.00 0.00 C ATOM 335 CG LYS A 29 -0.397 -7.267 -23.527 1.00 0.00 C ATOM 336 CD LYS A 29 0.982 -6.632 -23.377 1.00 0.00 C ATOM 337 CE LYS A 29 2.097 -7.660 -23.495 1.00 0.00 C ATOM 338 NZ LYS A 29 3.439 -7.037 -23.380 1.00 0.00 N ATOM 0 H LYS A 29 -2.005 -5.716 -25.098 1.00 0.00 H new ATOM 0 HA LYS A 29 0.553 -6.585 -26.217 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.624 -8.287 -24.967 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.086 -8.648 -25.101 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.162 -6.521 -23.313 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.510 -8.061 -22.788 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.113 -5.865 -24.140 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.049 -6.134 -22.410 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.979 -8.414 -22.717 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.017 -8.174 -24.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.171 -7.771 -23.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.562 -6.335 -24.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.526 -6.568 -22.456 1.00 0.00 H new ATOM 352 N GLU A 30 -0.355 -8.347 -27.958 1.00 0.00 N ATOM 353 CA GLU A 30 -0.779 -8.964 -29.224 1.00 0.00 C ATOM 354 C GLU A 30 -1.901 -9.986 -29.016 1.00 0.00 C ATOM 355 O GLU A 30 -2.235 -10.758 -29.918 1.00 0.00 O ATOM 356 CB GLU A 30 0.410 -9.613 -29.969 1.00 0.00 C ATOM 357 CG GLU A 30 1.218 -10.620 -29.151 1.00 0.00 C ATOM 358 CD GLU A 30 2.231 -9.956 -28.244 1.00 0.00 C ATOM 359 OE1 GLU A 30 1.853 -9.519 -27.140 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.407 -9.847 -28.635 1.00 0.00 O ATOM 0 H GLU A 30 0.522 -8.714 -27.587 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.171 -8.159 -29.845 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.030 -10.114 -30.860 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.080 -8.823 -30.308 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.538 -11.223 -28.549 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.734 -11.301 -29.828 1.00 0.00 H new ATOM 367 N ASP A 31 -2.477 -9.989 -27.832 1.00 0.00 N ATOM 368 CA ASP A 31 -3.600 -10.868 -27.529 1.00 0.00 C ATOM 369 C ASP A 31 -4.896 -10.118 -27.784 1.00 0.00 C ATOM 370 O ASP A 31 -5.975 -10.705 -27.877 1.00 0.00 O ATOM 371 CB ASP A 31 -3.539 -11.315 -26.073 1.00 0.00 C ATOM 372 CG ASP A 31 -4.522 -12.421 -25.749 1.00 0.00 C ATOM 373 OD1 ASP A 31 -5.457 -12.182 -24.964 1.00 0.00 O ATOM 374 OD2 ASP A 31 -4.351 -13.538 -26.267 1.00 0.00 O ATOM 0 H ASP A 31 -2.188 -9.392 -27.057 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.553 -11.751 -28.166 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.529 -11.657 -25.846 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.738 -10.459 -25.428 1.00 0.00 H new ATOM 379 N CYS A 32 -4.762 -8.808 -27.913 1.00 0.00 N ATOM 380 CA CYS A 32 -5.880 -7.920 -28.145 1.00 0.00 C ATOM 381 C CYS A 32 -6.393 -8.089 -29.577 1.00 0.00 C ATOM 382 O CYS A 32 -5.614 -8.095 -30.521 1.00 0.00 O ATOM 383 CB CYS A 32 -5.424 -6.473 -27.899 1.00 0.00 C ATOM 384 SG CYS A 32 -6.730 -5.235 -27.973 1.00 0.00 S ATOM 0 H CYS A 32 -3.863 -8.330 -27.858 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.695 -8.161 -27.462 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.950 -6.420 -26.919 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.662 -6.219 -28.636 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.226 -4.058 -27.748 1.00 0.00 H new ATOM 389 N ARG A 33 -7.698 -8.237 -29.728 1.00 0.00 N ATOM 390 CA ARG A 33 -8.317 -8.426 -31.037 1.00 0.00 C ATOM 391 C ARG A 33 -9.190 -7.227 -31.397 1.00 0.00 C ATOM 392 O ARG A 33 -10.385 -7.367 -31.654 1.00 0.00 O ATOM 393 CB ARG A 33 -9.159 -9.719 -31.054 1.00 0.00 C ATOM 394 CG ARG A 33 -8.373 -10.991 -31.378 1.00 0.00 C ATOM 395 CD ARG A 33 -8.029 -11.067 -32.860 1.00 0.00 C ATOM 396 NE ARG A 33 -7.369 -12.325 -33.226 1.00 0.00 N ATOM 397 CZ ARG A 33 -7.298 -12.803 -34.479 1.00 0.00 C ATOM 398 NH1 ARG A 33 -7.875 -12.141 -35.480 1.00 0.00 N ATOM 399 NH2 ARG A 33 -6.660 -13.945 -34.726 1.00 0.00 N ATOM 0 H ARG A 33 -8.360 -8.230 -28.952 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.524 -8.514 -31.780 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.634 -9.840 -30.080 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.958 -9.606 -31.786 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.457 -11.015 -30.788 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.958 -11.865 -31.093 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.941 -10.957 -33.446 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.379 -10.232 -33.121 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.936 -12.872 -32.481 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.372 -11.269 -35.296 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.820 -12.505 -36.431 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.223 -14.460 -33.962 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.608 -14.305 -35.679 1.00 0.00 H new ATOM 413 N CYS A 34 -8.585 -6.057 -31.430 1.00 0.00 N ATOM 414 CA CYS A 34 -9.313 -4.833 -31.722 1.00 0.00 C ATOM 415 C CYS A 34 -9.018 -4.385 -33.139 1.00 0.00 C ATOM 416 O CYS A 34 -7.886 -4.045 -33.458 1.00 0.00 O ATOM 417 CB CYS A 34 -8.911 -3.726 -30.742 1.00 0.00 C ATOM 418 SG CYS A 34 -10.111 -2.383 -30.600 1.00 0.00 S ATOM 0 H CYS A 34 -7.588 -5.925 -31.258 1.00 0.00 H new ATOM 0 HA CYS A 34 -10.380 -5.029 -31.616 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.759 -4.167 -29.757 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.954 -3.310 -31.056 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.678 -1.502 -29.747 1.00 0.00 H new ATOM 423 N GLN A 35 -10.037 -4.374 -33.992 1.00 0.00 N ATOM 424 CA GLN A 35 -9.865 -3.963 -35.388 1.00 0.00 C ATOM 425 C GLN A 35 -9.431 -2.516 -35.490 1.00 0.00 C ATOM 426 O GLN A 35 -8.892 -2.092 -36.509 1.00 0.00 O ATOM 427 CB GLN A 35 -11.137 -4.210 -36.209 1.00 0.00 C ATOM 428 CG GLN A 35 -11.321 -5.665 -36.585 1.00 0.00 C ATOM 429 CD GLN A 35 -11.597 -6.541 -35.391 1.00 0.00 C ATOM 430 OE1 GLN A 35 -12.385 -6.186 -34.512 1.00 0.00 O ATOM 431 NE2 GLN A 35 -10.840 -7.638 -35.279 1.00 0.00 N ATOM 0 H GLN A 35 -10.989 -4.643 -33.746 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.072 -4.581 -35.809 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.003 -3.875 -35.638 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.101 -3.607 -37.116 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.145 -5.752 -37.293 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.425 -6.021 -37.093 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.201 -7.895 -36.031 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.902 -8.217 -34.442 1.00 0.00 H new ATOM 440 N SER A 36 -9.647 -1.781 -34.420 1.00 0.00 N ATOM 441 CA SER A 36 -9.267 -0.385 -34.346 1.00 0.00 C ATOM 442 C SER A 36 -7.753 -0.197 -34.520 1.00 0.00 C ATOM 443 O SER A 36 -7.308 0.815 -35.059 1.00 0.00 O ATOM 444 CB SER A 36 -9.724 0.206 -33.020 1.00 0.00 C ATOM 445 OG SER A 36 -11.134 0.084 -32.865 1.00 0.00 O ATOM 0 H SER A 36 -10.093 -2.135 -33.574 1.00 0.00 H new ATOM 0 HA SER A 36 -9.758 0.140 -35.165 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.219 -0.302 -32.198 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.439 1.257 -32.969 1.00 0.00 H new ATOM 0 HG SER A 36 -11.332 -0.617 -32.209 1.00 0.00 H new ATOM 451 N CYS A 37 -6.970 -1.166 -34.063 1.00 0.00 N ATOM 452 CA CYS A 37 -5.521 -1.091 -34.197 1.00 0.00 C ATOM 453 C CYS A 37 -4.926 -2.417 -34.689 1.00 0.00 C ATOM 454 O CYS A 37 -3.723 -2.645 -34.599 1.00 0.00 O ATOM 455 CB CYS A 37 -4.887 -0.647 -32.870 1.00 0.00 C ATOM 456 SG CYS A 37 -5.800 -1.160 -31.393 1.00 0.00 S ATOM 0 H CYS A 37 -7.311 -2.008 -33.599 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.289 -0.343 -34.955 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.875 -1.048 -32.813 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.800 0.440 -32.869 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.180 -0.737 -30.331 1.00 0.00 H new ATOM 461 N LYS A 38 -5.774 -3.264 -35.260 1.00 0.00 N ATOM 462 CA LYS A 38 -5.339 -4.559 -35.773 1.00 0.00 C ATOM 463 C LYS A 38 -5.108 -4.471 -37.278 1.00 0.00 C ATOM 464 O LYS A 38 -5.864 -5.024 -38.089 1.00 0.00 O ATOM 465 CB LYS A 38 -6.362 -5.656 -35.447 1.00 0.00 C ATOM 466 CG LYS A 38 -5.958 -7.070 -35.879 1.00 0.00 C ATOM 467 CD LYS A 38 -4.892 -7.695 -34.976 1.00 0.00 C ATOM 468 CE LYS A 38 -5.447 -7.963 -33.603 1.00 0.00 C ATOM 469 NZ LYS A 38 -4.513 -8.775 -32.797 1.00 0.00 N ATOM 0 H LYS A 38 -6.770 -3.077 -35.380 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.401 -4.825 -35.285 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.539 -5.658 -34.372 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.308 -5.403 -35.926 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.842 -7.708 -35.882 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.584 -7.037 -36.902 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.535 -8.626 -35.417 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.034 -7.027 -34.903 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.642 -7.018 -33.096 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.402 -8.481 -33.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.811 -8.760 -31.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.516 -9.755 -33.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.553 -8.382 -32.877 1.00 0.00 H new ATOM 528 N CYS A 43 -4.449 -0.271 -43.184 1.00 0.00 N ATOM 529 CA CYS A 43 -5.172 -1.132 -44.105 1.00 0.00 C ATOM 530 C CYS A 43 -6.591 -0.649 -44.239 1.00 0.00 C ATOM 531 O CYS A 43 -7.150 -0.065 -43.309 1.00 0.00 O ATOM 532 CB CYS A 43 -5.141 -2.599 -43.633 1.00 0.00 C ATOM 533 SG CYS A 43 -5.986 -3.779 -44.736 1.00 0.00 S ATOM 0 HA CYS A 43 -4.685 -1.088 -45.079 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.102 -2.908 -43.523 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.597 -2.657 -42.645 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.894 -4.978 -44.241 1.00 0.00 H new ATOM 538 N THR A 44 -7.162 -0.881 -45.388 1.00 0.00 N ATOM 539 CA THR A 44 -8.489 -0.453 -45.680 1.00 0.00 C ATOM 540 C THR A 44 -9.514 -1.102 -44.765 1.00 0.00 C ATOM 541 O THR A 44 -9.569 -2.325 -44.635 1.00 0.00 O ATOM 542 CB THR A 44 -8.824 -0.771 -47.132 1.00 0.00 C ATOM 543 OG1 THR A 44 -7.740 -1.527 -47.713 1.00 0.00 O ATOM 544 CG2 THR A 44 -9.001 0.505 -47.903 1.00 0.00 C ATOM 0 H THR A 44 -6.708 -1.379 -46.153 1.00 0.00 H new ATOM 0 HA THR A 44 -8.532 0.623 -45.512 1.00 0.00 H new ATOM 0 HB THR A 44 -9.747 -1.350 -47.172 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.944 -1.722 -48.652 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.240 0.273 -48.941 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.813 1.085 -47.464 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.079 1.084 -47.864 1.00 0.00 H new ATOM 552 N ASP A 45 -10.321 -0.275 -44.125 1.00 0.00 N ATOM 553 CA ASP A 45 -11.391 -0.760 -43.273 1.00 0.00 C ATOM 554 C ASP A 45 -12.420 -1.463 -44.136 1.00 0.00 C ATOM 555 O ASP A 45 -13.095 -2.394 -43.703 1.00 0.00 O ATOM 556 CB ASP A 45 -12.033 0.401 -42.519 1.00 0.00 C ATOM 557 CG ASP A 45 -13.124 -0.046 -41.571 1.00 0.00 C ATOM 558 OD1 ASP A 45 -12.812 -0.735 -40.584 1.00 0.00 O ATOM 559 OD2 ASP A 45 -14.293 0.316 -41.796 1.00 0.00 O ATOM 0 H ASP A 45 -10.255 0.741 -44.180 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.990 -1.459 -42.539 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.265 0.932 -41.957 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.449 1.108 -43.237 1.00 0.00 H new ATOM 564 N VAL A 46 -12.492 -1.021 -45.389 1.00 0.00 N ATOM 565 CA VAL A 46 -13.372 -1.609 -46.385 1.00 0.00 C ATOM 566 C VAL A 46 -12.986 -3.077 -46.624 1.00 0.00 C ATOM 567 O VAL A 46 -13.822 -3.911 -46.971 1.00 0.00 O ATOM 568 CB VAL A 46 -13.293 -0.821 -47.721 1.00 0.00 C ATOM 569 CG1 VAL A 46 -14.347 -1.296 -48.700 1.00 0.00 C ATOM 570 CG2 VAL A 46 -13.437 0.673 -47.474 1.00 0.00 C ATOM 0 H VAL A 46 -11.937 -0.240 -45.740 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.395 -1.560 -46.012 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.313 -1.009 -48.159 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -14.267 -0.726 -49.626 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.196 -2.355 -48.911 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.337 -1.150 -48.268 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.379 1.206 -48.423 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.400 0.873 -47.004 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.636 1.012 -46.818 1.00 0.00 H new ATOM 580 N CYS A 47 -11.716 -3.379 -46.398 1.00 0.00 N ATOM 581 CA CYS A 47 -11.186 -4.725 -46.556 1.00 0.00 C ATOM 582 C CYS A 47 -11.657 -5.617 -45.396 1.00 0.00 C ATOM 583 O CYS A 47 -11.919 -6.805 -45.574 1.00 0.00 O ATOM 584 CB CYS A 47 -9.641 -4.655 -46.609 1.00 0.00 C ATOM 585 SG CYS A 47 -8.773 -6.237 -46.787 1.00 0.00 S ATOM 0 H CYS A 47 -11.021 -2.695 -46.099 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.553 -5.162 -47.485 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.356 -4.012 -47.442 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.289 -4.172 -45.698 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.490 -6.027 -46.819 1.00 0.00 H new ATOM 590 N LYS A 48 -11.804 -5.016 -44.215 1.00 0.00 N ATOM 591 CA LYS A 48 -12.204 -5.749 -43.014 1.00 0.00 C ATOM 592 C LYS A 48 -13.713 -5.907 -42.906 1.00 0.00 C ATOM 593 O LYS A 48 -14.192 -6.685 -42.076 1.00 0.00 O ATOM 594 CB LYS A 48 -11.710 -5.018 -41.784 1.00 0.00 C ATOM 595 CG LYS A 48 -10.249 -4.690 -41.827 1.00 0.00 C ATOM 596 CD LYS A 48 -9.837 -3.889 -40.620 1.00 0.00 C ATOM 597 CE LYS A 48 -8.344 -3.642 -40.617 1.00 0.00 C ATOM 598 NZ LYS A 48 -7.570 -4.909 -40.495 1.00 0.00 N ATOM 0 H LYS A 48 -11.651 -4.019 -44.064 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.761 -6.743 -43.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.278 -4.095 -41.668 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.911 -5.629 -40.904 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.668 -5.611 -41.872 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.026 -4.128 -42.734 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.367 -2.936 -40.613 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.123 -4.420 -39.712 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.059 -3.130 -41.536 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.088 -2.979 -39.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.898 -4.831 -39.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.223 -5.699 -40.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.048 -5.083 -41.377 1.00 0.00 H new ATOM 612 N GLN A 49 -14.454 -5.176 -43.740 1.00 0.00 N ATOM 613 CA GLN A 49 -15.926 -5.172 -43.682 1.00 0.00 C ATOM 614 C GLN A 49 -16.523 -6.565 -43.563 1.00 0.00 C ATOM 615 O GLN A 49 -17.370 -6.806 -42.711 1.00 0.00 O ATOM 616 CB GLN A 49 -16.524 -4.414 -44.862 1.00 0.00 C ATOM 617 CG GLN A 49 -16.428 -2.903 -44.699 1.00 0.00 C ATOM 618 CD GLN A 49 -17.317 -2.141 -45.669 1.00 0.00 C ATOM 619 OE1 GLN A 49 -18.373 -2.628 -46.074 1.00 0.00 O ATOM 620 NE2 GLN A 49 -16.905 -0.946 -46.040 1.00 0.00 N ATOM 0 H GLN A 49 -14.063 -4.576 -44.467 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.193 -4.646 -42.765 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.010 -4.710 -45.777 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.570 -4.697 -44.978 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.701 -2.636 -43.678 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.393 -2.593 -44.844 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.024 -0.577 -45.683 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.467 -0.390 -46.685 1.00 0.00 H new ATOM 629 N THR A 50 -16.061 -7.460 -44.403 1.00 0.00 N ATOM 630 CA THR A 50 -16.487 -8.846 -44.401 1.00 0.00 C ATOM 631 C THR A 50 -17.984 -8.966 -44.720 1.00 0.00 C ATOM 632 O THR A 50 -18.838 -8.774 -43.853 1.00 0.00 O ATOM 633 CB THR A 50 -16.174 -9.502 -43.058 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.766 -9.372 -42.777 1.00 0.00 O ATOM 635 CG2 THR A 50 -16.574 -10.971 -43.053 1.00 0.00 C ATOM 0 H THR A 50 -15.368 -7.246 -45.120 1.00 0.00 H new ATOM 0 HA THR A 50 -15.933 -9.368 -45.181 1.00 0.00 H new ATOM 0 HB THR A 50 -16.752 -8.997 -42.284 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.565 -8.444 -42.536 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.338 -11.409 -42.083 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.644 -11.057 -43.239 1.00 0.00 H new ATOM 0 HG23 THR A 50 -16.026 -11.500 -43.833 1.00 0.00 H new ATOM 643 N PRO A 51 -18.326 -9.283 -45.972 1.00 0.00 N ATOM 644 CA PRO A 51 -17.350 -9.567 -47.031 1.00 0.00 C ATOM 645 C PRO A 51 -16.558 -8.325 -47.431 1.00 0.00 C ATOM 646 O PRO A 51 -17.049 -7.197 -47.304 1.00 0.00 O ATOM 647 CB PRO A 51 -18.217 -10.048 -48.192 1.00 0.00 C ATOM 648 CG PRO A 51 -19.548 -9.429 -47.951 1.00 0.00 C ATOM 649 CD PRO A 51 -19.702 -9.341 -46.458 1.00 0.00 C ATOM 0 HA PRO A 51 -16.601 -10.293 -46.715 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -17.803 -9.736 -49.151 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -18.284 -11.136 -48.212 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.607 -8.441 -48.408 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.343 -10.031 -48.390 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -20.268 -8.457 -46.165 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -20.232 -10.206 -46.058 1.00 0.00 H new ATOM 657 N CYS A 52 -15.334 -8.535 -47.889 1.00 0.00 N ATOM 658 CA CYS A 52 -14.454 -7.445 -48.283 1.00 0.00 C ATOM 659 C CYS A 52 -15.133 -6.530 -49.276 1.00 0.00 C ATOM 660 O CYS A 52 -15.829 -6.986 -50.191 1.00 0.00 O ATOM 661 CB CYS A 52 -13.172 -7.986 -48.881 1.00 0.00 C ATOM 662 SG CYS A 52 -12.024 -6.714 -49.462 1.00 0.00 S ATOM 0 H CYS A 52 -14.923 -9.462 -47.998 1.00 0.00 H new ATOM 0 HA CYS A 52 -14.216 -6.871 -47.388 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.668 -8.600 -48.135 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -13.423 -8.641 -49.716 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.961 -7.280 -49.952 1.00 0.00 H new ATOM 667 N GLY A 53 -14.934 -5.250 -49.099 1.00 0.00 N ATOM 668 CA GLY A 53 -15.558 -4.300 -49.961 1.00 0.00 C ATOM 669 C GLY A 53 -14.608 -3.725 -50.974 1.00 0.00 C ATOM 670 O GLY A 53 -14.993 -2.899 -51.781 1.00 0.00 O ATOM 0 H GLY A 53 -14.347 -4.850 -48.368 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.390 -4.777 -50.479 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.977 -3.492 -49.362 1.00 0.00 H new ATOM 674 N CYS A 54 -13.359 -4.147 -50.937 1.00 0.00 N ATOM 675 CA CYS A 54 -12.381 -3.673 -51.916 1.00 0.00 C ATOM 676 C CYS A 54 -12.769 -4.099 -53.321 1.00 0.00 C ATOM 677 O CYS A 54 -12.524 -3.387 -54.286 1.00 0.00 O ATOM 678 CB CYS A 54 -10.990 -4.168 -51.588 1.00 0.00 C ATOM 679 SG CYS A 54 -10.194 -3.290 -50.241 1.00 0.00 S ATOM 0 H CYS A 54 -12.994 -4.809 -50.252 1.00 0.00 H new ATOM 0 HA CYS A 54 -12.376 -2.584 -51.870 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -11.044 -5.227 -51.335 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.368 -4.085 -52.479 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.011 -3.789 -50.037 1.00 0.00 H new ATOM 684 N ALA A 55 -13.395 -5.252 -53.428 1.00 0.00 N ATOM 685 CA ALA A 55 -13.848 -5.747 -54.714 1.00 0.00 C ATOM 686 C ALA A 55 -15.223 -5.180 -55.041 1.00 0.00 C ATOM 687 O ALA A 55 -15.817 -5.500 -56.066 1.00 0.00 O ATOM 688 CB ALA A 55 -13.884 -7.262 -54.707 1.00 0.00 C ATOM 0 H ALA A 55 -13.603 -5.866 -52.640 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.149 -5.421 -55.484 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.226 -7.622 -55.677 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.885 -7.649 -54.507 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.568 -7.606 -53.931 1.00 0.00 H new ATOM 694 N THR A 56 -15.709 -4.337 -54.159 1.00 0.00 N ATOM 695 CA THR A 56 -17.003 -3.724 -54.310 1.00 0.00 C ATOM 696 C THR A 56 -16.865 -2.219 -54.563 1.00 0.00 C ATOM 697 O THR A 56 -17.327 -1.700 -55.580 1.00 0.00 O ATOM 698 CB THR A 56 -17.843 -3.943 -53.033 1.00 0.00 C ATOM 699 OG1 THR A 56 -17.864 -5.338 -52.703 1.00 0.00 O ATOM 700 CG2 THR A 56 -19.265 -3.436 -53.217 1.00 0.00 C ATOM 0 H THR A 56 -15.213 -4.058 -53.313 1.00 0.00 H new ATOM 0 HA THR A 56 -17.498 -4.186 -55.164 1.00 0.00 H new ATOM 0 HB THR A 56 -17.384 -3.380 -52.221 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.396 -5.474 -51.891 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.832 -3.604 -52.302 1.00 0.00 H new ATOM 0 HG22 THR A 56 -19.245 -2.369 -53.441 1.00 0.00 H new ATOM 0 HG23 THR A 56 -19.738 -3.971 -54.040 1.00 0.00 H new ATOM 708 N SER A 57 -16.203 -1.542 -53.645 1.00 0.00 N ATOM 709 CA SER A 57 -16.057 -0.102 -53.689 1.00 0.00 C ATOM 710 C SER A 57 -14.729 0.313 -54.327 1.00 0.00 C ATOM 711 O SER A 57 -14.644 1.351 -54.987 1.00 0.00 O ATOM 712 CB SER A 57 -16.146 0.444 -52.265 1.00 0.00 C ATOM 713 OG SER A 57 -17.297 -0.062 -51.603 1.00 0.00 O ATOM 0 H SER A 57 -15.749 -1.979 -52.843 1.00 0.00 H new ATOM 0 HA SER A 57 -16.856 0.311 -54.305 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.250 0.169 -51.708 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.184 1.533 -52.290 1.00 0.00 H new ATOM 0 HG SER A 57 -17.335 0.298 -50.692 1.00 0.00 H new ATOM 719 N GLY A 58 -13.705 -0.497 -54.135 1.00 0.00 N ATOM 720 CA GLY A 58 -12.397 -0.166 -54.658 1.00 0.00 C ATOM 721 C GLY A 58 -11.296 -0.622 -53.731 1.00 0.00 C ATOM 722 O GLY A 58 -11.472 -0.632 -52.510 1.00 0.00 O ATOM 0 H GLY A 58 -13.754 -1.380 -53.626 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.267 -0.631 -55.635 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.326 0.912 -54.806 1.00 0.00 H new ATOM 726 N CYS A 59 -10.168 -0.992 -54.297 1.00 0.00 N ATOM 727 CA CYS A 59 -9.061 -1.518 -53.521 1.00 0.00 C ATOM 728 C CYS A 59 -8.077 -0.411 -53.134 1.00 0.00 C ATOM 729 O CYS A 59 -8.020 0.640 -53.780 1.00 0.00 O ATOM 730 CB CYS A 59 -8.353 -2.609 -54.315 1.00 0.00 C ATOM 731 SG CYS A 59 -7.099 -3.502 -53.387 1.00 0.00 S ATOM 0 H CYS A 59 -9.991 -0.938 -55.300 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.456 -1.943 -52.598 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.096 -3.320 -54.676 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.888 -2.160 -55.193 1.00 0.00 H new ATOM 0 HG CYS A 59 -6.559 -4.407 -54.148 1.00 0.00 H new ATOM 736 N ASN A 60 -7.298 -0.654 -52.087 1.00 0.00 N ATOM 737 CA ASN A 60 -6.338 0.337 -51.597 1.00 0.00 C ATOM 738 C ASN A 60 -5.054 -0.316 -51.087 1.00 0.00 C ATOM 739 O ASN A 60 -3.965 0.212 -51.283 1.00 0.00 O ATOM 740 CB ASN A 60 -6.978 1.190 -50.494 1.00 0.00 C ATOM 741 CG ASN A 60 -6.001 2.135 -49.810 1.00 0.00 C ATOM 742 OD1 ASN A 60 -5.744 3.236 -50.289 1.00 0.00 O ATOM 743 ND2 ASN A 60 -5.478 1.721 -48.667 1.00 0.00 N ATOM 0 H ASN A 60 -7.309 -1.527 -51.559 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.066 0.978 -52.436 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.793 1.772 -50.924 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.417 0.531 -49.745 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.837 2.324 -48.152 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.716 0.799 -48.301 1.00 0.00 H new ATOM 750 N CYS A 61 -5.178 -1.457 -50.433 1.00 0.00 N ATOM 751 CA CYS A 61 -4.013 -2.146 -49.899 1.00 0.00 C ATOM 752 C CYS A 61 -3.253 -2.902 -50.999 1.00 0.00 C ATOM 753 O CYS A 61 -3.582 -2.791 -52.188 1.00 0.00 O ATOM 754 CB CYS A 61 -4.431 -3.083 -48.774 1.00 0.00 C ATOM 755 SG CYS A 61 -5.877 -4.070 -49.160 1.00 0.00 S ATOM 0 H CYS A 61 -6.067 -1.925 -50.259 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.330 -1.400 -49.494 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.600 -3.748 -48.539 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.632 -2.495 -47.879 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.944 -3.460 -48.737 1.00 0.00 H new ATOM 760 N THR A 62 -2.241 -3.650 -50.606 1.00 0.00 N ATOM 761 CA THR A 62 -1.402 -4.365 -51.548 1.00 0.00 C ATOM 762 C THR A 62 -1.911 -5.779 -51.831 1.00 0.00 C ATOM 763 O THR A 62 -2.750 -6.316 -51.100 1.00 0.00 O ATOM 764 CB THR A 62 0.033 -4.440 -51.027 1.00 0.00 C ATOM 765 OG1 THR A 62 0.015 -4.660 -49.612 1.00 0.00 O ATOM 766 CG2 THR A 62 0.797 -3.165 -51.334 1.00 0.00 C ATOM 0 H THR A 62 -1.978 -3.779 -49.629 1.00 0.00 H new ATOM 0 HA THR A 62 -1.434 -3.807 -52.484 1.00 0.00 H new ATOM 0 HB THR A 62 0.537 -5.267 -51.527 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.857 -5.078 -49.335 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.814 -3.249 -50.951 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.827 -3.010 -52.412 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.299 -2.319 -50.859 1.00 0.00 H new ATOM 774 N ASP A 63 -1.372 -6.377 -52.891 1.00 0.00 N ATOM 775 CA ASP A 63 -1.738 -7.731 -53.321 1.00 0.00 C ATOM 776 C ASP A 63 -1.229 -8.782 -52.334 1.00 0.00 C ATOM 777 O ASP A 63 -1.655 -9.930 -52.355 1.00 0.00 O ATOM 778 CB ASP A 63 -1.158 -8.000 -54.723 1.00 0.00 C ATOM 779 CG ASP A 63 -1.544 -9.356 -55.293 1.00 0.00 C ATOM 780 OD1 ASP A 63 -0.700 -10.282 -55.293 1.00 0.00 O ATOM 781 OD2 ASP A 63 -2.687 -9.496 -55.760 1.00 0.00 O ATOM 0 H ASP A 63 -0.666 -5.937 -53.481 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.825 -7.800 -53.354 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.498 -7.219 -55.403 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.071 -7.931 -54.677 1.00 0.00 H new ATOM 786 N ASP A 64 -0.325 -8.372 -51.455 1.00 0.00 N ATOM 787 CA ASP A 64 0.264 -9.290 -50.491 1.00 0.00 C ATOM 788 C ASP A 64 -0.610 -9.457 -49.263 1.00 0.00 C ATOM 789 O ASP A 64 -0.272 -10.232 -48.367 1.00 0.00 O ATOM 790 CB ASP A 64 1.669 -8.842 -50.078 1.00 0.00 C ATOM 791 CG ASP A 64 1.670 -7.595 -49.236 1.00 0.00 C ATOM 792 OD1 ASP A 64 1.633 -7.699 -47.996 1.00 0.00 O ATOM 793 OD2 ASP A 64 1.715 -6.508 -49.814 1.00 0.00 O ATOM 0 H ASP A 64 0.015 -7.413 -51.390 1.00 0.00 H new ATOM 0 HA ASP A 64 0.340 -10.257 -50.987 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.152 -9.647 -49.524 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.266 -8.669 -50.973 1.00 0.00 H new ATOM 798 N CYS A 65 -1.722 -8.732 -49.202 1.00 0.00 N ATOM 799 CA CYS A 65 -2.629 -8.884 -48.084 1.00 0.00 C ATOM 800 C CYS A 65 -3.197 -10.291 -48.123 1.00 0.00 C ATOM 801 O CYS A 65 -3.524 -10.805 -49.192 1.00 0.00 O ATOM 802 CB CYS A 65 -3.763 -7.838 -48.122 1.00 0.00 C ATOM 803 SG CYS A 65 -4.638 -7.618 -46.531 1.00 0.00 S ATOM 0 H CYS A 65 -2.008 -8.047 -49.902 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.084 -8.721 -47.154 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.347 -6.879 -48.430 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.486 -8.131 -48.883 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.567 -6.719 -46.668 1.00 0.00 H new ATOM 808 N LYS A 66 -3.292 -10.916 -46.967 1.00 0.00 N ATOM 809 CA LYS A 66 -3.774 -12.290 -46.864 1.00 0.00 C ATOM 810 C LYS A 66 -5.180 -12.438 -47.421 1.00 0.00 C ATOM 811 O LYS A 66 -5.605 -13.546 -47.753 1.00 0.00 O ATOM 812 CB LYS A 66 -3.757 -12.723 -45.424 1.00 0.00 C ATOM 813 CG LYS A 66 -4.604 -11.846 -44.550 1.00 0.00 C ATOM 814 CD LYS A 66 -4.158 -11.902 -43.128 1.00 0.00 C ATOM 815 CE LYS A 66 -4.730 -13.104 -42.370 1.00 0.00 C ATOM 816 NZ LYS A 66 -4.040 -14.377 -42.698 1.00 0.00 N ATOM 0 H LYS A 66 -3.040 -10.494 -46.073 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.111 -12.922 -47.455 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.111 -13.751 -45.353 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.731 -12.713 -45.057 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.556 -10.818 -44.908 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.646 -12.159 -44.619 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.069 -11.943 -43.095 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.458 -10.984 -42.622 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.653 -12.921 -41.298 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.791 -13.202 -42.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.072 -15.011 -41.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.515 -14.832 -43.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.049 -14.181 -42.946 1.00 0.00 H new ATOM 830 N CYS A 67 -5.903 -11.330 -47.501 1.00 0.00 N ATOM 831 CA CYS A 67 -7.236 -11.357 -48.024 1.00 0.00 C ATOM 832 C CYS A 67 -7.201 -11.674 -49.501 1.00 0.00 C ATOM 833 O CYS A 67 -6.523 -11.010 -50.280 1.00 0.00 O ATOM 834 CB CYS A 67 -7.954 -10.047 -47.785 1.00 0.00 C ATOM 835 SG CYS A 67 -9.678 -10.100 -48.287 1.00 0.00 S ATOM 0 H CYS A 67 -5.578 -10.409 -47.208 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.789 -12.136 -47.500 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.896 -9.793 -46.727 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.445 -9.253 -48.332 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.234 -8.948 -48.053 1.00 0.00 H new ATOM 840 N GLN A 68 -7.939 -12.681 -49.882 1.00 0.00 N ATOM 841 CA GLN A 68 -7.926 -13.157 -51.243 1.00 0.00 C ATOM 842 C GLN A 68 -9.136 -12.643 -52.020 1.00 0.00 C ATOM 843 O GLN A 68 -9.414 -13.098 -53.131 1.00 0.00 O ATOM 844 CB GLN A 68 -7.890 -14.679 -51.226 1.00 0.00 C ATOM 845 CG GLN A 68 -6.775 -15.232 -50.340 1.00 0.00 C ATOM 846 CD GLN A 68 -6.897 -16.712 -50.101 1.00 0.00 C ATOM 847 OE1 GLN A 68 -7.385 -17.449 -50.952 1.00 0.00 O ATOM 848 NE2 GLN A 68 -6.472 -17.163 -48.946 1.00 0.00 N ATOM 0 H GLN A 68 -8.565 -13.195 -49.262 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.040 -12.778 -51.752 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.850 -15.057 -50.874 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.756 -15.047 -52.243 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.811 -15.022 -50.804 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.787 -14.712 -49.382 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.072 -16.520 -48.263 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.541 -18.157 -48.730 1.00 0.00 H new ATOM 857 N SER A 69 -9.838 -11.678 -51.440 1.00 0.00 N ATOM 858 CA SER A 69 -11.015 -11.108 -52.076 1.00 0.00 C ATOM 859 C SER A 69 -10.621 -9.979 -53.038 1.00 0.00 C ATOM 860 O SER A 69 -11.210 -9.829 -54.113 1.00 0.00 O ATOM 861 CB SER A 69 -12.002 -10.590 -51.014 1.00 0.00 C ATOM 862 OG SER A 69 -13.268 -10.293 -51.586 1.00 0.00 O ATOM 0 H SER A 69 -9.612 -11.275 -50.531 1.00 0.00 H new ATOM 0 HA SER A 69 -11.505 -11.892 -52.653 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.121 -11.338 -50.230 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.595 -9.696 -50.542 1.00 0.00 H new ATOM 0 HG SER A 69 -13.970 -10.435 -50.918 1.00 0.00 H new ATOM 868 N CYS A 70 -9.619 -9.198 -52.658 1.00 0.00 N ATOM 869 CA CYS A 70 -9.177 -8.078 -53.478 1.00 0.00 C ATOM 870 C CYS A 70 -7.877 -8.380 -54.223 1.00 0.00 C ATOM 871 O CYS A 70 -7.606 -7.791 -55.276 1.00 0.00 O ATOM 872 CB CYS A 70 -9.021 -6.831 -52.616 1.00 0.00 C ATOM 873 SG CYS A 70 -8.105 -7.101 -51.082 1.00 0.00 S ATOM 0 H CYS A 70 -9.098 -9.319 -51.789 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.943 -7.903 -54.234 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.514 -6.062 -53.198 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.011 -6.445 -52.372 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.025 -5.984 -50.422 1.00 0.00 H new ATOM 878 N SER A 71 -7.084 -9.295 -53.691 1.00 0.00 N ATOM 879 CA SER A 71 -5.813 -9.652 -54.304 1.00 0.00 C ATOM 880 C SER A 71 -6.018 -10.478 -55.579 1.00 0.00 C ATOM 881 O SER A 71 -7.108 -11.012 -55.824 1.00 0.00 O ATOM 882 CB SER A 71 -4.942 -10.413 -53.304 1.00 0.00 C ATOM 883 OG SER A 71 -5.659 -11.492 -52.723 1.00 0.00 O ATOM 0 H SER A 71 -7.297 -9.806 -52.834 1.00 0.00 H new ATOM 0 HA SER A 71 -5.304 -8.731 -54.587 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.052 -10.792 -53.806 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.602 -9.734 -52.522 1.00 0.00 H new ATOM 0 HG SER A 71 -5.698 -11.373 -51.751 1.00 0.00 H new ATOM 889 N THR A 72 -4.975 -10.573 -56.379 1.00 0.00 N ATOM 890 CA THR A 72 -5.011 -11.317 -57.620 1.00 0.00 C ATOM 891 C THR A 72 -4.812 -12.806 -57.361 1.00 0.00 C ATOM 892 O THR A 72 -4.275 -13.204 -56.317 1.00 0.00 O ATOM 893 CB THR A 72 -3.913 -10.830 -58.585 1.00 0.00 C ATOM 894 OG1 THR A 72 -2.637 -10.911 -57.943 1.00 0.00 O ATOM 895 CG2 THR A 72 -4.163 -9.396 -59.020 1.00 0.00 C ATOM 0 H THR A 72 -4.075 -10.134 -56.185 1.00 0.00 H new ATOM 0 HA THR A 72 -5.989 -11.152 -58.072 1.00 0.00 H new ATOM 0 HB THR A 72 -3.929 -11.469 -59.468 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.547 -10.177 -57.300 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.373 -9.079 -59.700 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.126 -9.332 -59.527 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.170 -8.746 -58.145 1.00 0.00 H new ATOM 903 N ALA A 73 -5.231 -13.620 -58.303 1.00 0.00 N ATOM 904 CA ALA A 73 -5.103 -15.056 -58.187 1.00 0.00 C ATOM 905 C ALA A 73 -3.923 -15.562 -59.010 1.00 0.00 C ATOM 906 O ALA A 73 -3.413 -14.855 -59.881 1.00 0.00 O ATOM 907 CB ALA A 73 -6.387 -15.731 -58.641 1.00 0.00 C ATOM 0 H ALA A 73 -5.669 -13.307 -59.169 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.921 -15.303 -57.141 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.281 -16.812 -58.550 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.215 -15.394 -58.018 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.586 -15.472 -59.681 1.00 0.00 H new ATOM 913 N CYS A 74 -3.483 -16.773 -58.708 1.00 0.00 N ATOM 914 CA CYS A 74 -2.403 -17.418 -59.447 1.00 0.00 C ATOM 915 C CYS A 74 -2.842 -17.614 -60.903 1.00 0.00 C ATOM 916 O CYS A 74 -4.027 -17.820 -61.171 1.00 0.00 O ATOM 917 CB CYS A 74 -2.082 -18.777 -58.807 1.00 0.00 C ATOM 918 SG CYS A 74 -0.394 -19.387 -59.078 1.00 0.00 S ATOM 0 H CYS A 74 -3.861 -17.337 -57.947 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.509 -16.795 -59.418 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.256 -18.704 -57.733 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.784 -19.516 -59.194 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.393 -20.687 -59.055 1.00 0.00 H new ATOM 923 N LYS A 75 -1.906 -17.554 -61.833 1.00 0.00 N ATOM 924 CA LYS A 75 -2.242 -17.691 -63.254 1.00 0.00 C ATOM 925 C LYS A 75 -2.140 -19.137 -63.703 1.00 0.00 C ATOM 926 O LYS A 75 -2.251 -19.442 -64.893 1.00 0.00 O ATOM 927 CB LYS A 75 -1.328 -16.816 -64.115 1.00 0.00 C ATOM 928 CG LYS A 75 -1.435 -15.331 -63.824 1.00 0.00 C ATOM 929 CD LYS A 75 -2.728 -14.728 -64.348 1.00 0.00 C ATOM 930 CE LYS A 75 -2.881 -13.282 -63.893 1.00 0.00 C ATOM 931 NZ LYS A 75 -1.723 -12.443 -64.300 1.00 0.00 N ATOM 0 H LYS A 75 -0.914 -17.413 -61.641 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.272 -17.359 -63.381 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.295 -17.131 -63.965 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.564 -16.987 -65.165 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.372 -15.169 -62.748 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.588 -14.814 -64.274 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.739 -14.773 -65.437 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.576 -15.315 -63.996 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.796 -12.865 -64.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.986 -13.253 -62.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.927 -11.445 -64.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.877 -12.740 -63.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.554 -12.556 -65.320 1.00 0.00 H new ATOM 945 N CYS A 76 -1.934 -20.019 -62.761 1.00 0.00 N ATOM 946 CA CYS A 76 -1.809 -21.421 -63.061 1.00 0.00 C ATOM 947 C CYS A 76 -3.166 -22.092 -63.112 1.00 0.00 C ATOM 948 O CYS A 76 -4.121 -21.645 -62.472 1.00 0.00 O ATOM 949 CB CYS A 76 -0.928 -22.092 -62.039 1.00 0.00 C ATOM 950 SG CYS A 76 0.696 -21.331 -61.884 1.00 0.00 S ATOM 0 H CYS A 76 -1.849 -19.789 -61.771 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.350 -21.520 -64.045 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.426 -22.068 -61.070 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.805 -23.141 -62.309 1.00 0.00 H new ATOM 0 HG CYS A 76 0.689 -20.492 -60.891 1.00 0.00 H new ATOM 955 N ALA A 77 -3.244 -23.167 -63.867 1.00 0.00 N ATOM 956 CA ALA A 77 -4.482 -23.889 -64.051 1.00 0.00 C ATOM 957 C ALA A 77 -4.288 -25.357 -63.741 1.00 0.00 C ATOM 958 O ALA A 77 -3.185 -25.780 -63.388 1.00 0.00 O ATOM 959 CB ALA A 77 -4.956 -23.721 -65.476 1.00 0.00 C ATOM 0 H ALA A 77 -2.450 -23.564 -64.370 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.232 -23.488 -63.369 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.890 -24.266 -65.615 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.118 -22.663 -65.683 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.202 -24.113 -66.159 1.00 0.00 H new ATOM 965 N ALA A 78 -5.348 -26.135 -63.887 1.00 0.00 N ATOM 966 CA ALA A 78 -5.285 -27.559 -63.632 1.00 0.00 C ATOM 967 C ALA A 78 -4.409 -28.250 -64.665 1.00 0.00 C ATOM 968 O ALA A 78 -4.849 -28.551 -65.774 1.00 0.00 O ATOM 969 CB ALA A 78 -6.680 -28.166 -63.618 1.00 0.00 C ATOM 0 H ALA A 78 -6.265 -25.799 -64.182 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.839 -27.710 -62.649 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.609 -29.236 -63.425 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.274 -27.695 -62.835 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.158 -28.003 -64.584 1.00 0.00 H new ATOM 975 N GLY A 79 -3.161 -28.451 -64.312 1.00 0.00 N ATOM 976 CA GLY A 79 -2.244 -29.112 -65.202 1.00 0.00 C ATOM 977 C GLY A 79 -1.304 -28.144 -65.884 1.00 0.00 C ATOM 978 O GLY A 79 -0.731 -28.458 -66.928 1.00 0.00 O ATOM 0 H GLY A 79 -2.761 -28.167 -63.418 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.663 -29.845 -64.642 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.807 -29.661 -65.957 1.00 0.00 H new ATOM 982 N SER A 80 -1.153 -26.961 -65.314 1.00 0.00 N ATOM 983 CA SER A 80 -0.259 -25.971 -65.872 1.00 0.00 C ATOM 984 C SER A 80 0.265 -25.045 -64.783 1.00 0.00 C ATOM 985 O SER A 80 -0.492 -24.269 -64.201 1.00 0.00 O ATOM 986 CB SER A 80 -0.966 -25.159 -66.961 1.00 0.00 C ATOM 987 OG SER A 80 -0.051 -24.321 -67.645 1.00 0.00 O ATOM 0 H SER A 80 -1.639 -26.666 -64.467 1.00 0.00 H new ATOM 0 HA SER A 80 0.587 -26.493 -66.320 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.445 -25.834 -67.670 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.755 -24.554 -66.514 1.00 0.00 H new ATOM 0 HG SER A 80 -0.492 -23.924 -68.425 1.00 0.00 H new ATOM 993 N CYS A 81 1.554 -25.147 -64.508 1.00 0.00 N ATOM 994 CA CYS A 81 2.202 -24.313 -63.511 1.00 0.00 C ATOM 995 C CYS A 81 3.268 -23.435 -64.178 1.00 0.00 C ATOM 996 O CYS A 81 4.038 -23.915 -65.019 1.00 0.00 O ATOM 997 CB CYS A 81 2.828 -25.196 -62.434 1.00 0.00 C ATOM 998 SG CYS A 81 3.554 -24.293 -61.062 1.00 0.00 S ATOM 0 H CYS A 81 2.179 -25.808 -64.968 1.00 0.00 H new ATOM 0 HA CYS A 81 1.463 -23.662 -63.044 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.065 -25.870 -62.046 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.598 -25.816 -62.893 1.00 0.00 H new ATOM 0 HG CYS A 81 4.401 -25.057 -60.439 1.00 0.00 H new ATOM 1003 N LYS A 82 3.309 -22.154 -63.817 1.00 0.00 N ATOM 1004 CA LYS A 82 4.246 -21.208 -64.446 1.00 0.00 C ATOM 1005 C LYS A 82 5.345 -20.790 -63.497 1.00 0.00 C ATOM 1006 O LYS A 82 6.526 -20.957 -63.795 1.00 0.00 O ATOM 1007 CB LYS A 82 3.521 -19.951 -64.955 1.00 0.00 C ATOM 1008 CG LYS A 82 2.616 -20.172 -66.156 1.00 0.00 C ATOM 1009 CD LYS A 82 1.463 -21.086 -65.816 1.00 0.00 C ATOM 1010 CE LYS A 82 0.427 -21.129 -66.932 1.00 0.00 C ATOM 1011 NZ LYS A 82 0.980 -21.690 -68.189 1.00 0.00 N ATOM 0 H LYS A 82 2.712 -21.744 -63.099 1.00 0.00 H new ATOM 0 HA LYS A 82 4.690 -21.735 -65.291 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.925 -19.539 -64.141 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.267 -19.200 -65.215 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.232 -19.214 -66.505 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.194 -20.601 -66.975 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.839 -22.092 -65.630 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.990 -20.747 -64.894 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.425 -21.729 -66.612 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.055 -20.122 -67.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.457 -21.305 -69.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.984 -21.433 -68.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.887 -22.726 -68.177 1.00 0.00 H new ATOM 1025 N CYS A 83 4.954 -20.231 -62.362 1.00 0.00 N ATOM 1026 CA CYS A 83 5.902 -19.754 -61.366 1.00 0.00 C ATOM 1027 C CYS A 83 6.834 -20.880 -60.926 1.00 0.00 C ATOM 1028 O CYS A 83 8.003 -20.652 -60.626 1.00 0.00 O ATOM 1029 CB CYS A 83 5.144 -19.211 -60.167 1.00 0.00 C ATOM 1030 SG CYS A 83 4.092 -20.442 -59.392 1.00 0.00 S ATOM 0 H CYS A 83 3.976 -20.096 -62.106 1.00 0.00 H new ATOM 0 HA CYS A 83 6.507 -18.961 -61.806 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.856 -18.835 -59.433 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.534 -18.365 -60.482 1.00 0.00 H new ATOM 0 HG CYS A 83 3.402 -19.886 -58.441 1.00 0.00 H new ATOM 1035 N GLY A 84 6.304 -22.094 -60.896 1.00 0.00 N ATOM 1036 CA GLY A 84 7.095 -23.239 -60.525 1.00 0.00 C ATOM 1037 C GLY A 84 7.075 -23.493 -59.039 1.00 0.00 C ATOM 1038 O GLY A 84 7.902 -24.233 -58.522 1.00 0.00 O ATOM 0 H GLY A 84 5.332 -22.303 -61.125 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.721 -24.120 -61.047 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.124 -23.088 -60.851 1.00 0.00 H new ATOM 1042 N LYS A 85 6.128 -22.882 -58.346 1.00 0.00 N ATOM 1043 CA LYS A 85 6.014 -23.059 -56.907 1.00 0.00 C ATOM 1044 C LYS A 85 5.066 -24.208 -56.575 1.00 0.00 C ATOM 1045 O LYS A 85 5.008 -24.668 -55.433 1.00 0.00 O ATOM 1046 CB LYS A 85 5.564 -21.758 -56.233 1.00 0.00 C ATOM 1047 CG LYS A 85 6.604 -20.635 -56.306 1.00 0.00 C ATOM 1048 CD LYS A 85 7.801 -20.890 -55.379 1.00 0.00 C ATOM 1049 CE LYS A 85 7.421 -20.714 -53.914 1.00 0.00 C ATOM 1050 NZ LYS A 85 6.974 -19.326 -53.616 1.00 0.00 N ATOM 0 H LYS A 85 5.429 -22.261 -58.754 1.00 0.00 H new ATOM 0 HA LYS A 85 6.999 -23.315 -56.516 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.641 -21.417 -56.701 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.335 -21.961 -55.187 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.957 -20.535 -57.333 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.134 -19.689 -56.037 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.178 -21.900 -55.539 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.610 -20.204 -55.631 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.625 -21.414 -53.660 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.276 -20.962 -53.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.034 -19.154 -52.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.585 -18.650 -54.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.990 -19.203 -53.931 1.00 0.00 H new ATOM 1064 N GLY A 86 4.333 -24.669 -57.578 1.00 0.00 N ATOM 1065 CA GLY A 86 3.442 -25.797 -57.391 1.00 0.00 C ATOM 1066 C GLY A 86 2.066 -25.390 -56.911 1.00 0.00 C ATOM 1067 O GLY A 86 1.510 -26.007 -56.004 1.00 0.00 O ATOM 0 H GLY A 86 4.339 -24.281 -58.521 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.347 -26.338 -58.333 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.883 -26.486 -56.671 1.00 0.00 H new ATOM 1071 N CYS A 87 1.525 -24.354 -57.507 1.00 0.00 N ATOM 1072 CA CYS A 87 0.205 -23.877 -57.161 1.00 0.00 C ATOM 1073 C CYS A 87 -0.655 -23.737 -58.406 1.00 0.00 C ATOM 1074 O CYS A 87 -0.697 -22.692 -59.029 1.00 0.00 O ATOM 1075 CB CYS A 87 0.307 -22.554 -56.423 1.00 0.00 C ATOM 1076 SG CYS A 87 1.625 -21.484 -57.023 1.00 0.00 S ATOM 0 H CYS A 87 1.985 -23.819 -58.243 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.271 -24.605 -56.503 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.643 -22.027 -56.509 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.467 -22.752 -55.363 1.00 0.00 H new ATOM 0 HG CYS A 87 1.125 -20.581 -57.813 1.00 0.00 H new ATOM 1081 N THR A 88 -1.337 -24.803 -58.765 1.00 0.00 N ATOM 1082 CA THR A 88 -2.149 -24.821 -59.964 1.00 0.00 C ATOM 1083 C THR A 88 -3.516 -24.161 -59.741 1.00 0.00 C ATOM 1084 O THR A 88 -4.565 -24.769 -59.957 1.00 0.00 O ATOM 1085 CB THR A 88 -2.319 -26.261 -60.479 1.00 0.00 C ATOM 1086 OG1 THR A 88 -2.603 -27.138 -59.379 1.00 0.00 O ATOM 1087 CG2 THR A 88 -1.050 -26.731 -61.186 1.00 0.00 C ATOM 0 H THR A 88 -1.345 -25.677 -58.239 1.00 0.00 H new ATOM 0 HA THR A 88 -1.626 -24.236 -60.721 1.00 0.00 H new ATOM 0 HB THR A 88 -3.146 -26.280 -61.189 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.712 -28.054 -59.711 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.189 -27.751 -61.543 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.841 -26.076 -62.032 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.213 -26.702 -60.489 1.00 0.00 H new ATOM 1095 N GLY A 89 -3.482 -22.914 -59.301 1.00 0.00 N ATOM 1096 CA GLY A 89 -4.696 -22.161 -59.062 1.00 0.00 C ATOM 1097 C GLY A 89 -4.644 -21.432 -57.735 1.00 0.00 C ATOM 1098 O GLY A 89 -3.783 -21.723 -56.914 1.00 0.00 O ATOM 0 H GLY A 89 -2.622 -22.403 -59.102 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.844 -21.442 -59.868 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.552 -22.835 -59.075 1.00 0.00 H new ATOM 1102 N PRO A 90 -5.572 -20.486 -57.480 1.00 0.00 N ATOM 1103 CA PRO A 90 -5.584 -19.702 -56.237 1.00 0.00 C ATOM 1104 C PRO A 90 -5.883 -20.576 -55.025 1.00 0.00 C ATOM 1105 O PRO A 90 -5.484 -20.267 -53.906 1.00 0.00 O ATOM 1106 CB PRO A 90 -6.713 -18.693 -56.459 1.00 0.00 C ATOM 1107 CG PRO A 90 -7.593 -19.332 -57.471 1.00 0.00 C ATOM 1108 CD PRO A 90 -6.686 -20.121 -58.365 1.00 0.00 C ATOM 0 HA PRO A 90 -4.620 -19.236 -56.033 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.253 -18.493 -55.534 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.327 -17.738 -56.816 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.331 -19.978 -56.995 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.145 -18.582 -58.038 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.185 -21.002 -58.768 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.347 -19.530 -59.216 1.00 0.00 H new ATOM 1116 N ASP A 91 -6.577 -21.681 -55.274 1.00 0.00 N ATOM 1117 CA ASP A 91 -6.920 -22.641 -54.231 1.00 0.00 C ATOM 1118 C ASP A 91 -5.662 -23.289 -53.672 1.00 0.00 C ATOM 1119 O ASP A 91 -5.608 -23.679 -52.506 1.00 0.00 O ATOM 1120 CB ASP A 91 -7.859 -23.713 -54.798 1.00 0.00 C ATOM 1121 CG ASP A 91 -8.247 -24.766 -53.779 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -7.647 -25.861 -53.785 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -9.166 -24.512 -52.975 1.00 0.00 O ATOM 0 H ASP A 91 -6.917 -21.936 -56.201 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.427 -22.115 -53.422 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.761 -23.233 -55.177 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.376 -24.198 -55.646 1.00 0.00 H new ATOM 1128 N SER A 92 -4.649 -23.393 -54.511 1.00 0.00 N ATOM 1129 CA SER A 92 -3.389 -23.983 -54.119 1.00 0.00 C ATOM 1130 C SER A 92 -2.333 -22.903 -53.890 1.00 0.00 C ATOM 1131 O SER A 92 -1.313 -23.142 -53.244 1.00 0.00 O ATOM 1132 CB SER A 92 -2.924 -24.958 -55.192 1.00 0.00 C ATOM 1133 OG SER A 92 -3.956 -25.876 -55.513 1.00 0.00 O ATOM 0 H SER A 92 -4.678 -23.072 -55.479 1.00 0.00 H new ATOM 0 HA SER A 92 -3.531 -24.522 -53.182 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.627 -24.409 -56.086 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.044 -25.499 -54.843 1.00 0.00 H new ATOM 0 HG SER A 92 -3.641 -26.494 -56.205 1.00 0.00 H new ATOM 1139 N CYS A 93 -2.584 -21.720 -54.427 1.00 0.00 N ATOM 1140 CA CYS A 93 -1.666 -20.611 -54.279 1.00 0.00 C ATOM 1141 C CYS A 93 -1.803 -19.996 -52.907 1.00 0.00 C ATOM 1142 O CYS A 93 -2.732 -19.234 -52.637 1.00 0.00 O ATOM 1143 CB CYS A 93 -1.899 -19.552 -55.359 1.00 0.00 C ATOM 1144 SG CYS A 93 -0.759 -18.142 -55.292 1.00 0.00 S ATOM 0 H CYS A 93 -3.420 -21.506 -54.971 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.653 -20.996 -54.395 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.814 -20.025 -56.337 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.920 -19.181 -55.272 1.00 0.00 H new ATOM 0 HG CYS A 93 -1.042 -17.309 -56.249 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.904 -20.364 -52.032 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.883 -19.823 -50.689 1.00 0.00 C ATOM 1151 C LYS A 94 0.232 -18.797 -50.579 1.00 0.00 C ATOM 1152 O LYS A 94 0.703 -18.478 -49.484 1.00 0.00 O ATOM 1153 CB LYS A 94 -0.682 -20.945 -49.665 1.00 0.00 C ATOM 1154 CG LYS A 94 -1.734 -22.048 -49.742 1.00 0.00 C ATOM 1155 CD LYS A 94 -1.581 -23.076 -48.618 1.00 0.00 C ATOM 1156 CE LYS A 94 -2.228 -22.605 -47.308 1.00 0.00 C ATOM 1157 NZ LYS A 94 -1.525 -21.443 -46.687 1.00 0.00 N ATOM 0 H LYS A 94 -0.168 -21.043 -52.224 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.837 -19.340 -50.479 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.304 -21.386 -49.812 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.693 -20.516 -48.663 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.728 -21.603 -49.692 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.659 -22.552 -50.705 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.034 -24.019 -48.926 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.522 -23.271 -48.448 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.266 -22.332 -47.501 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.242 -23.433 -46.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.735 -21.414 -45.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.499 -21.543 -46.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.851 -20.562 -47.133 1.00 0.00 H new ATOM 1171 N CYS A 95 0.637 -18.279 -51.726 1.00 0.00 N ATOM 1172 CA CYS A 95 1.710 -17.313 -51.808 1.00 0.00 C ATOM 1173 C CYS A 95 1.161 -15.885 -51.736 1.00 0.00 C ATOM 1174 O CYS A 95 -0.033 -15.657 -51.935 1.00 0.00 O ATOM 1175 CB CYS A 95 2.482 -17.510 -53.119 1.00 0.00 C ATOM 1176 SG CYS A 95 3.030 -19.219 -53.418 1.00 0.00 S ATOM 0 H CYS A 95 0.227 -18.520 -52.628 1.00 0.00 H new ATOM 0 HA CYS A 95 2.382 -17.466 -50.963 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.851 -17.193 -53.949 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.355 -16.857 -53.114 1.00 0.00 H new ATOM 0 HG CYS A 95 3.668 -19.278 -54.549 1.00 0.00 H new ATOM 1181 N ASP A 96 2.037 -14.935 -51.439 1.00 0.00 N ATOM 1182 CA ASP A 96 1.658 -13.522 -51.365 1.00 0.00 C ATOM 1183 C ASP A 96 1.747 -12.893 -52.753 1.00 0.00 C ATOM 1184 O ASP A 96 1.636 -13.584 -53.766 1.00 0.00 O ATOM 1185 CB ASP A 96 2.595 -12.761 -50.408 1.00 0.00 C ATOM 1186 CG ASP A 96 2.665 -13.368 -49.026 1.00 0.00 C ATOM 1187 OD1 ASP A 96 1.700 -13.212 -48.254 1.00 0.00 O ATOM 1188 OD2 ASP A 96 3.695 -13.992 -48.701 1.00 0.00 O ATOM 0 H ASP A 96 3.022 -15.114 -51.244 1.00 0.00 H new ATOM 0 HA ASP A 96 0.636 -13.457 -50.991 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.597 -12.736 -50.837 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.257 -11.728 -50.326 1.00 0.00 H new ATOM 1193 N ARG A 97 1.967 -11.578 -52.798 1.00 0.00 N ATOM 1194 CA ARG A 97 2.124 -10.868 -54.070 1.00 0.00 C ATOM 1195 C ARG A 97 3.473 -11.227 -54.696 1.00 0.00 C ATOM 1196 O ARG A 97 3.769 -10.856 -55.828 1.00 0.00 O ATOM 1197 CB ARG A 97 2.039 -9.346 -53.854 1.00 0.00 C ATOM 1198 CG ARG A 97 3.303 -8.718 -53.278 1.00 0.00 C ATOM 1199 CD ARG A 97 3.108 -7.235 -52.980 1.00 0.00 C ATOM 1200 NE ARG A 97 4.390 -6.535 -52.847 1.00 0.00 N ATOM 1201 CZ ARG A 97 4.704 -5.662 -51.879 1.00 0.00 C ATOM 1202 NH1 ARG A 97 3.870 -5.426 -50.873 1.00 0.00 N ATOM 1203 NH2 ARG A 97 5.874 -5.043 -51.908 1.00 0.00 N ATOM 0 H ARG A 97 2.040 -10.984 -51.972 1.00 0.00 H new ATOM 0 HA ARG A 97 1.319 -11.169 -54.740 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.813 -8.868 -54.807 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.205 -9.133 -53.185 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.585 -9.239 -52.363 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.125 -8.843 -53.982 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.525 -6.777 -53.779 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.534 -7.121 -52.060 1.00 0.00 H new ATOM 0 HE ARG A 97 5.103 -6.729 -53.550 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.974 -5.912 -50.828 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.125 -4.759 -50.145 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.532 -5.231 -52.664 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.117 -4.378 -51.174 1.00 0.00 H new ATOM 1217 N SER A 98 4.269 -11.975 -53.943 1.00 0.00 N ATOM 1218 CA SER A 98 5.593 -12.403 -54.359 1.00 0.00 C ATOM 1219 C SER A 98 5.499 -13.590 -55.320 1.00 0.00 C ATOM 1220 O SER A 98 6.247 -14.567 -55.212 1.00 0.00 O ATOM 1221 CB SER A 98 6.410 -12.783 -53.123 1.00 0.00 C ATOM 1222 OG SER A 98 6.378 -11.737 -52.161 1.00 0.00 O ATOM 0 H SER A 98 4.007 -12.305 -53.014 1.00 0.00 H new ATOM 0 HA SER A 98 6.086 -11.584 -54.883 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.013 -13.699 -52.685 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.441 -12.988 -53.411 1.00 0.00 H new ATOM 0 HG SER A 98 6.904 -11.998 -51.376 1.00 0.00 H new ATOM 1228 N CYS A 99 4.582 -13.498 -56.252 1.00 0.00 N ATOM 1229 CA CYS A 99 4.391 -14.527 -57.233 1.00 0.00 C ATOM 1230 C CYS A 99 4.553 -13.924 -58.618 1.00 0.00 C ATOM 1231 O CYS A 99 3.887 -12.944 -58.957 1.00 0.00 O ATOM 1232 CB CYS A 99 3.006 -15.153 -57.080 1.00 0.00 C ATOM 1233 SG CYS A 99 2.934 -16.904 -57.508 1.00 0.00 S ATOM 0 H CYS A 99 3.948 -12.704 -56.348 1.00 0.00 H new ATOM 0 HA CYS A 99 5.134 -15.312 -57.091 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.675 -15.029 -56.049 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.302 -14.608 -57.708 1.00 0.00 H new ATOM 0 HG CYS A 99 1.721 -17.341 -57.343 1.00 0.00 H new ATOM 1238 N SER A 100 5.434 -14.509 -59.411 1.00 0.00 N ATOM 1239 CA SER A 100 5.740 -14.004 -60.747 1.00 0.00 C ATOM 1240 C SER A 100 4.512 -14.020 -61.661 1.00 0.00 C ATOM 1241 O SER A 100 4.476 -13.337 -62.679 1.00 0.00 O ATOM 1242 CB SER A 100 6.851 -14.843 -61.361 1.00 0.00 C ATOM 1243 OG SER A 100 7.962 -14.939 -60.479 1.00 0.00 O ATOM 0 H SER A 100 5.958 -15.345 -59.152 1.00 0.00 H new ATOM 0 HA SER A 100 6.062 -12.967 -60.649 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.475 -15.841 -61.589 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.168 -14.399 -62.305 1.00 0.00 H new ATOM 0 HG SER A 100 8.663 -15.484 -60.894 1.00 0.00 H new ATOM 1249 N CYS A 101 3.514 -14.789 -61.284 1.00 0.00 N ATOM 1250 CA CYS A 101 2.308 -14.919 -62.070 1.00 0.00 C ATOM 1251 C CYS A 101 1.402 -13.690 -61.950 1.00 0.00 C ATOM 1252 O CYS A 101 0.531 -13.477 -62.787 1.00 0.00 O ATOM 1253 CB CYS A 101 1.558 -16.175 -61.651 1.00 0.00 C ATOM 1254 SG CYS A 101 2.447 -17.696 -62.002 1.00 0.00 S ATOM 0 H CYS A 101 3.516 -15.340 -60.426 1.00 0.00 H new ATOM 0 HA CYS A 101 2.600 -14.997 -63.117 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.350 -16.124 -60.582 1.00 0.00 H new ATOM 0 HB3 CYS A 101 0.596 -16.201 -62.162 1.00 0.00 H new ATOM 0 HG CYS A 101 1.660 -18.713 -61.810 1.00 0.00 H new ATOM 1259 N LYS A 102 1.612 -12.876 -60.927 1.00 0.00 N ATOM 1260 CA LYS A 102 0.764 -11.702 -60.723 1.00 0.00 C ATOM 1261 C LYS A 102 1.085 -10.608 -61.746 1.00 0.00 C ATOM 1262 O LYS A 102 0.515 -10.655 -62.873 1.00 0.00 O ATOM 1263 CB LYS A 102 0.924 -11.139 -59.313 1.00 0.00 C ATOM 1264 CG LYS A 102 0.767 -12.156 -58.191 1.00 0.00 C ATOM 1265 CD LYS A 102 -0.478 -13.020 -58.354 1.00 0.00 C ATOM 1266 CE LYS A 102 -0.828 -13.708 -57.038 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.398 -12.749 -56.041 1.00 0.00 N ATOM 0 H LYS A 102 2.349 -12.999 -60.233 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.268 -12.026 -60.857 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.909 -10.680 -59.231 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.190 -10.346 -59.169 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.648 -12.797 -58.160 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.720 -11.633 -57.236 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.315 -12.404 -58.683 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.310 -13.768 -59.129 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.546 -14.506 -57.226 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.066 -14.174 -56.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.131 -13.046 -55.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.026 -11.795 -56.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.435 -12.738 -56.124 1.00 0.00 H new