USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 THR OG1 : rot -57:sc= 1.06 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= -0.058 USER MOD Set 2.1: A 45 SER OG : rot 74:sc= 1.96 USER MOD Set 2.2: A 58 THR OG1 : rot 82:sc= 1.31 USER MOD Set 3.1: A 42 HIS : no HD1:sc=-0.00682 K(o=0.017,f=-8!) USER MOD Set 3.2: A 46 HIS : no HD1:sc= -0.453 K(o=0.017,f=-14!) USER MOD Set 3.3: A 56 HIS : no HD1:sc= 0.476 K(o=0.017,f=-11!) USER MOD Single : A 12 GLN : amide:sc= 1.78 K(o=1.8,f=-14!) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0.505 (180deg=0.487) USER MOD Single : A 17 THR OG1 : rot -22:sc= 0.576 USER MOD Single : A 22 SER OG : rot -7:sc= -0.317 USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 1.14 (180deg=0.247) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 67:sc= 0.45 USER MOD Single : A 36 THR OG1 : rot 58:sc= 0.537 USER MOD Single : A 37 SER OG : rot 180:sc= 0.144 USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 1.05 (180deg=0.858) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.101 X(o=0.1,f=-0.17) USER MOD Single : A 55 MET CE :methyl 169:sc=-0.000915 (180deg=-0.152) USER MOD Single : A 57 HIS : no HE2:sc= -4.57! C(o=-4.6!,f=-7.9!) USER MOD Single : A 64 ASN : amide:sc= 1.11 K(o=1.1,f=-0.22) USER MOD Single : A 69 GLN : amide:sc= -0.898 K(o=-0.9,f=-2.7!) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0458) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 80 LYS NZ :NH3+ -169:sc=-0.00252 (180deg=-0.131) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.196 1.672 -8.132 1.00 0.00 N ATOM 62 CA GLY A 5 11.869 1.135 -7.889 1.00 0.00 C ATOM 63 C GLY A 5 11.881 0.462 -6.519 1.00 0.00 C ATOM 64 O GLY A 5 10.965 0.663 -5.720 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.124 1.930 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.599 0.418 -8.664 1.00 0.00 H new ATOM 68 N ALA A 6 12.932 -0.327 -6.258 1.00 0.00 N ATOM 69 CA ALA A 6 13.178 -0.959 -4.972 1.00 0.00 C ATOM 70 C ALA A 6 13.520 0.155 -3.982 1.00 0.00 C ATOM 71 O ALA A 6 14.235 1.096 -4.323 1.00 0.00 O ATOM 72 CB ALA A 6 14.335 -1.953 -5.094 1.00 0.00 C ATOM 0 H ALA A 6 13.645 -0.543 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 6 12.304 -1.513 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.514 -2.423 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.082 -2.718 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.234 -1.427 -5.414 1.00 0.00 H new ATOM 78 N CYS A 7 12.970 0.074 -2.777 1.00 0.00 N ATOM 79 CA CYS A 7 13.143 1.043 -1.709 1.00 0.00 C ATOM 80 C CYS A 7 13.255 0.306 -0.384 1.00 0.00 C ATOM 81 O CYS A 7 12.983 -0.889 -0.301 1.00 0.00 O ATOM 82 CB CYS A 7 11.954 2.014 -1.706 1.00 0.00 C ATOM 83 SG CYS A 7 10.332 1.223 -1.846 1.00 0.00 S ATOM 0 H CYS A 7 12.366 -0.703 -2.509 1.00 0.00 H new ATOM 0 HA CYS A 7 14.055 1.620 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.981 2.597 -0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.073 2.716 -2.531 1.00 0.00 H new ATOM 88 N GLU A 8 13.659 1.035 0.652 1.00 0.00 N ATOM 89 CA GLU A 8 13.726 0.573 2.017 1.00 0.00 C ATOM 90 C GLU A 8 12.477 1.091 2.732 1.00 0.00 C ATOM 91 O GLU A 8 11.869 0.351 3.501 1.00 0.00 O ATOM 92 CB GLU A 8 15.015 1.086 2.668 1.00 0.00 C ATOM 93 CG GLU A 8 16.265 0.876 1.798 1.00 0.00 C ATOM 94 CD GLU A 8 16.382 -0.549 1.264 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.425 -1.470 2.109 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.423 -0.689 0.022 1.00 0.00 O ATOM 0 H GLU A 8 13.960 2.004 0.549 1.00 0.00 H new ATOM 0 HA GLU A 8 13.750 -0.515 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.906 2.149 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.157 0.580 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.240 1.572 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.153 1.114 2.383 1.00 0.00 H new ATOM 103 N ARG A 9 12.091 2.350 2.469 1.00 0.00 N ATOM 104 CA ARG A 9 10.881 2.954 3.023 1.00 0.00 C ATOM 105 C ARG A 9 10.309 4.046 2.118 1.00 0.00 C ATOM 106 O ARG A 9 11.004 4.598 1.262 1.00 0.00 O ATOM 107 CB ARG A 9 11.066 3.457 4.462 1.00 0.00 C ATOM 108 CG ARG A 9 11.892 4.740 4.649 1.00 0.00 C ATOM 109 CD ARG A 9 13.253 4.692 3.955 1.00 0.00 C ATOM 110 NE ARG A 9 14.087 5.844 4.313 1.00 0.00 N ATOM 111 CZ ARG A 9 15.312 6.058 3.814 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.818 5.238 2.886 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.029 7.098 4.252 1.00 0.00 N ATOM 0 H ARG A 9 12.618 2.977 1.861 1.00 0.00 H new ATOM 0 HA ARG A 9 10.146 2.150 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.079 3.623 4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.537 2.663 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.325 5.588 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.042 4.915 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.768 3.771 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.110 4.669 2.875 1.00 0.00 H new ATOM 0 HE ARG A 9 13.714 6.520 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.271 4.444 2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.751 5.407 2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.643 7.721 4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.962 7.268 3.877 1.00 0.00 H new ATOM 127 N ASP A 10 9.028 4.340 2.365 1.00 0.00 N ATOM 128 CA ASP A 10 8.166 5.272 1.634 1.00 0.00 C ATOM 129 C ASP A 10 8.897 6.548 1.212 1.00 0.00 C ATOM 130 O ASP A 10 8.841 6.968 0.054 1.00 0.00 O ATOM 131 CB ASP A 10 6.975 5.692 2.514 1.00 0.00 C ATOM 132 CG ASP A 10 6.050 4.587 2.993 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.171 3.423 2.558 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.198 4.911 3.847 1.00 0.00 O ATOM 0 H ASP A 10 8.531 3.899 3.139 1.00 0.00 H new ATOM 0 HA ASP A 10 7.837 4.743 0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.366 6.210 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.379 6.415 1.956 1.00 0.00 H new ATOM 139 N LEU A 11 9.552 7.169 2.197 1.00 0.00 N ATOM 140 CA LEU A 11 10.281 8.427 2.107 1.00 0.00 C ATOM 141 C LEU A 11 11.080 8.575 0.810 1.00 0.00 C ATOM 142 O LEU A 11 11.150 9.669 0.256 1.00 0.00 O ATOM 143 CB LEU A 11 11.200 8.543 3.334 1.00 0.00 C ATOM 144 CG LEU A 11 11.988 9.862 3.425 1.00 0.00 C ATOM 145 CD1 LEU A 11 11.062 11.079 3.536 1.00 0.00 C ATOM 146 CD2 LEU A 11 12.904 9.810 4.652 1.00 0.00 C ATOM 0 H LEU A 11 9.586 6.777 3.138 1.00 0.00 H new ATOM 0 HA LEU A 11 9.554 9.239 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.596 8.433 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.907 7.713 3.321 1.00 0.00 H new ATOM 0 HG LEU A 11 12.570 9.971 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.661 11.988 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.418 11.128 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.447 10.988 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.467 10.740 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.301 9.679 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.596 8.974 4.554 1.00 0.00 H new ATOM 158 N GLN A 12 11.689 7.488 0.329 1.00 0.00 N ATOM 159 CA GLN A 12 12.509 7.523 -0.875 1.00 0.00 C ATOM 160 C GLN A 12 11.738 7.997 -2.110 1.00 0.00 C ATOM 161 O GLN A 12 12.337 8.608 -2.992 1.00 0.00 O ATOM 162 CB GLN A 12 13.130 6.144 -1.103 1.00 0.00 C ATOM 163 CG GLN A 12 14.169 5.871 -0.011 1.00 0.00 C ATOM 164 CD GLN A 12 14.610 4.418 -0.007 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.350 3.698 0.953 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.286 3.972 -1.060 1.00 0.00 N ATOM 0 H GLN A 12 11.626 6.567 0.763 1.00 0.00 H new ATOM 0 HA GLN A 12 13.298 8.259 -0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.356 5.376 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.599 6.101 -2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.036 6.514 -0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.750 6.127 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.485 4.598 -1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.606 3.004 -1.088 1.00 0.00 H new ATOM 175 N CYS A 13 10.435 7.707 -2.186 1.00 0.00 N ATOM 176 CA CYS A 13 9.593 8.090 -3.318 1.00 0.00 C ATOM 177 C CYS A 13 8.589 9.169 -2.919 1.00 0.00 C ATOM 178 O CYS A 13 8.260 10.029 -3.734 1.00 0.00 O ATOM 179 CB CYS A 13 8.924 6.857 -3.917 1.00 0.00 C ATOM 180 SG CYS A 13 10.070 5.790 -4.820 1.00 0.00 S ATOM 0 H CYS A 13 9.934 7.197 -1.458 1.00 0.00 H new ATOM 0 HA CYS A 13 10.221 8.529 -4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.456 6.282 -3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.128 7.175 -4.590 1.00 0.00 H new ATOM 185 N GLY A 14 8.109 9.147 -1.673 1.00 0.00 N ATOM 186 CA GLY A 14 7.229 10.183 -1.153 1.00 0.00 C ATOM 187 C GLY A 14 5.745 9.828 -1.229 1.00 0.00 C ATOM 188 O GLY A 14 5.357 8.815 -1.810 1.00 0.00 O ATOM 0 H GLY A 14 8.322 8.409 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.492 10.382 -0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.401 11.105 -1.708 1.00 0.00 H new ATOM 192 N LYS A 15 4.937 10.735 -0.662 1.00 0.00 N ATOM 193 CA LYS A 15 3.498 10.654 -0.417 1.00 0.00 C ATOM 194 C LYS A 15 2.663 9.998 -1.521 1.00 0.00 C ATOM 195 O LYS A 15 1.707 9.290 -1.220 1.00 0.00 O ATOM 196 CB LYS A 15 2.965 12.059 -0.081 1.00 0.00 C ATOM 197 CG LYS A 15 1.657 12.037 0.727 1.00 0.00 C ATOM 198 CD LYS A 15 1.909 11.739 2.214 1.00 0.00 C ATOM 199 CE LYS A 15 0.590 11.706 2.993 1.00 0.00 C ATOM 200 NZ LYS A 15 0.822 11.545 4.441 1.00 0.00 N ATOM 0 H LYS A 15 5.314 11.625 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 15 3.381 9.974 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.723 12.602 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.802 12.609 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.153 12.999 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.987 11.283 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.421 10.782 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.567 12.499 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.036 12.627 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.029 10.886 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.086 11.391 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.444 10.728 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.272 12.403 4.818 1.00 0.00 H new ATOM 214 N GLY A 16 2.988 10.239 -2.793 1.00 0.00 N ATOM 215 CA GLY A 16 2.252 9.649 -3.907 1.00 0.00 C ATOM 216 C GLY A 16 2.381 8.122 -3.971 1.00 0.00 C ATOM 217 O GLY A 16 1.681 7.471 -4.747 1.00 0.00 O ATOM 0 H GLY A 16 3.761 10.842 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.199 9.915 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.614 10.078 -4.842 1.00 0.00 H new ATOM 221 N THR A 17 3.299 7.541 -3.198 1.00 0.00 N ATOM 222 CA THR A 17 3.550 6.115 -3.169 1.00 0.00 C ATOM 223 C THR A 17 3.825 5.663 -1.732 1.00 0.00 C ATOM 224 O THR A 17 3.923 6.491 -0.828 1.00 0.00 O ATOM 225 CB THR A 17 4.806 5.847 -4.021 1.00 0.00 C ATOM 226 OG1 THR A 17 5.912 6.546 -3.477 1.00 0.00 O ATOM 227 CG2 THR A 17 4.667 6.277 -5.485 1.00 0.00 C ATOM 0 H THR A 17 3.898 8.068 -2.563 1.00 0.00 H new ATOM 0 HA THR A 17 2.686 5.573 -3.554 1.00 0.00 H new ATOM 0 HB THR A 17 4.949 4.767 -4.000 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.590 7.294 -2.932 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.591 6.056 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.842 5.734 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.468 7.348 -5.532 1.00 0.00 H new ATOM 235 N CYS A 18 3.963 4.352 -1.530 1.00 0.00 N ATOM 236 CA CYS A 18 4.455 3.761 -0.296 1.00 0.00 C ATOM 237 C CYS A 18 5.351 2.583 -0.689 1.00 0.00 C ATOM 238 O CYS A 18 5.171 1.994 -1.757 1.00 0.00 O ATOM 239 CB CYS A 18 3.325 3.357 0.652 1.00 0.00 C ATOM 240 SG CYS A 18 2.882 1.610 0.586 1.00 0.00 S ATOM 0 H CYS A 18 3.728 3.659 -2.241 1.00 0.00 H new ATOM 0 HA CYS A 18 5.030 4.493 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.617 3.606 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.442 3.952 0.419 1.00 0.00 H new ATOM 245 N CYS A 19 6.328 2.241 0.147 1.00 0.00 N ATOM 246 CA CYS A 19 7.281 1.181 -0.138 1.00 0.00 C ATOM 247 C CYS A 19 6.699 -0.178 0.254 1.00 0.00 C ATOM 248 O CYS A 19 7.035 -0.726 1.303 1.00 0.00 O ATOM 249 CB CYS A 19 8.591 1.486 0.583 1.00 0.00 C ATOM 250 SG CYS A 19 9.923 0.421 0.021 1.00 0.00 S ATOM 0 H CYS A 19 6.479 2.697 1.047 1.00 0.00 H new ATOM 0 HA CYS A 19 7.487 1.134 -1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.864 2.528 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.453 1.360 1.657 1.00 0.00 H new ATOM 255 N ALA A 20 5.784 -0.706 -0.564 1.00 0.00 N ATOM 256 CA ALA A 20 5.102 -1.971 -0.292 1.00 0.00 C ATOM 257 C ALA A 20 5.976 -3.145 -0.721 1.00 0.00 C ATOM 258 O ALA A 20 6.823 -3.001 -1.591 1.00 0.00 O ATOM 259 CB ALA A 20 3.740 -2.024 -0.986 1.00 0.00 C ATOM 0 H ALA A 20 5.495 -0.265 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 20 4.928 -2.042 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.256 -2.976 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.115 -1.207 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.876 -1.927 -2.063 1.00 0.00 H new ATOM 265 N VAL A 21 5.782 -4.308 -0.105 1.00 0.00 N ATOM 266 CA VAL A 21 6.560 -5.520 -0.343 1.00 0.00 C ATOM 267 C VAL A 21 6.727 -5.865 -1.837 1.00 0.00 C ATOM 268 O VAL A 21 5.858 -5.549 -2.639 1.00 0.00 O ATOM 269 CB VAL A 21 5.820 -6.654 0.395 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.304 -8.050 0.000 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.943 -6.492 1.915 1.00 0.00 C ATOM 0 H VAL A 21 5.054 -4.437 0.598 1.00 0.00 H new ATOM 0 HA VAL A 21 7.576 -5.375 0.024 1.00 0.00 H new ATOM 0 HB VAL A 21 4.776 -6.569 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.742 -8.801 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.150 -8.199 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.365 -8.146 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.412 -7.304 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.995 -6.518 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.509 -5.538 2.216 1.00 0.00 H new ATOM 281 N SER A 22 7.820 -6.537 -2.228 1.00 0.00 N ATOM 282 CA SER A 22 7.985 -7.085 -3.566 1.00 0.00 C ATOM 283 C SER A 22 7.462 -8.526 -3.511 1.00 0.00 C ATOM 284 O SER A 22 7.928 -9.294 -2.677 1.00 0.00 O ATOM 285 CB SER A 22 9.466 -7.018 -3.946 1.00 0.00 C ATOM 286 OG SER A 22 9.907 -5.687 -3.831 1.00 0.00 O ATOM 0 H SER A 22 8.615 -6.712 -1.614 1.00 0.00 H new ATOM 0 HA SER A 22 7.434 -6.528 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.052 -7.667 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.610 -7.376 -4.965 1.00 0.00 H new ATOM 0 HG SER A 22 9.141 -5.103 -3.647 1.00 0.00 H new ATOM 292 N LEU A 23 6.491 -8.904 -4.355 1.00 0.00 N ATOM 293 CA LEU A 23 5.828 -10.213 -4.294 1.00 0.00 C ATOM 294 C LEU A 23 6.787 -11.399 -4.208 1.00 0.00 C ATOM 295 O LEU A 23 6.490 -12.373 -3.520 1.00 0.00 O ATOM 296 CB LEU A 23 4.920 -10.473 -5.522 1.00 0.00 C ATOM 297 CG LEU A 23 3.602 -9.697 -5.666 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.600 -9.902 -4.516 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.850 -8.226 -5.974 1.00 0.00 C ATOM 0 H LEU A 23 6.142 -8.306 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 23 5.245 -10.151 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.514 -10.277 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.676 -11.535 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 23 3.103 -10.139 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.702 -9.315 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.336 -10.957 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.052 -9.580 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.896 -7.708 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.427 -7.777 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.405 -8.138 -6.908 1.00 0.00 H new ATOM 311 N TRP A 24 7.908 -11.329 -4.927 1.00 0.00 N ATOM 312 CA TRP A 24 8.719 -12.523 -5.153 1.00 0.00 C ATOM 313 C TRP A 24 9.878 -12.482 -4.160 1.00 0.00 C ATOM 314 O TRP A 24 9.882 -13.219 -3.174 1.00 0.00 O ATOM 315 CB TRP A 24 9.164 -12.591 -6.635 1.00 0.00 C ATOM 316 CG TRP A 24 8.019 -12.891 -7.559 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.309 -14.041 -7.561 1.00 0.00 C ATOM 318 CD2 TRP A 24 7.186 -11.915 -8.268 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.080 -13.830 -8.157 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.937 -12.525 -8.572 1.00 0.00 C ATOM 321 CE3 TRP A 24 7.320 -10.543 -8.583 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.863 -11.809 -9.119 1.00 0.00 C ATOM 323 CZ3 TRP A 24 6.250 -9.813 -9.131 1.00 0.00 C ATOM 324 CH2 TRP A 24 5.011 -10.434 -9.358 1.00 0.00 C ATOM 0 H TRP A 24 8.269 -10.476 -5.355 1.00 0.00 H new ATOM 0 HA TRP A 24 8.156 -13.440 -4.979 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.619 -11.642 -6.920 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.930 -13.358 -6.748 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.651 -14.983 -7.158 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.368 -14.551 -8.275 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.261 -10.047 -8.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.935 -12.309 -9.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.382 -8.770 -9.378 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.173 -9.854 -9.716 1.00 0.00 H new ATOM 335 N ILE A 25 10.843 -11.584 -4.370 1.00 0.00 N ATOM 336 CA ILE A 25 11.962 -11.438 -3.459 1.00 0.00 C ATOM 337 C ILE A 25 11.510 -10.498 -2.341 1.00 0.00 C ATOM 338 O ILE A 25 11.928 -9.345 -2.253 1.00 0.00 O ATOM 339 CB ILE A 25 13.240 -11.026 -4.215 1.00 0.00 C ATOM 340 CG1 ILE A 25 14.412 -10.854 -3.231 1.00 0.00 C ATOM 341 CG2 ILE A 25 13.029 -9.795 -5.105 1.00 0.00 C ATOM 342 CD1 ILE A 25 15.780 -10.940 -3.916 1.00 0.00 C ATOM 0 H ILE A 25 10.865 -10.949 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 25 12.249 -12.380 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 25 13.497 -11.834 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 25 14.321 -9.890 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.348 -11.621 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.961 -9.550 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.258 -10.009 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.718 -8.950 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.567 -10.812 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.887 -11.914 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.860 -10.156 -4.669 1.00 0.00 H new ATOM 354 N LYS A 26 10.689 -11.027 -1.433 1.00 0.00 N ATOM 355 CA LYS A 26 10.104 -10.312 -0.298 1.00 0.00 C ATOM 356 C LYS A 26 11.123 -9.663 0.659 1.00 0.00 C ATOM 357 O LYS A 26 10.730 -9.077 1.669 1.00 0.00 O ATOM 358 CB LYS A 26 9.135 -11.261 0.422 1.00 0.00 C ATOM 359 CG LYS A 26 7.899 -11.503 -0.458 1.00 0.00 C ATOM 360 CD LYS A 26 6.977 -12.605 0.079 1.00 0.00 C ATOM 361 CE LYS A 26 7.511 -14.020 -0.178 1.00 0.00 C ATOM 362 NZ LYS A 26 7.688 -14.289 -1.618 1.00 0.00 N ATOM 0 H LYS A 26 10.402 -12.005 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 26 9.564 -9.451 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.631 -12.207 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.835 -10.833 1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.334 -10.575 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.224 -11.769 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.840 -12.465 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.995 -12.505 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.465 -14.147 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.822 -14.750 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.531 -15.300 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.004 -13.726 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.654 -14.030 -1.903 1.00 0.00 H new ATOM 376 N SER A 27 12.424 -9.743 0.361 1.00 0.00 N ATOM 377 CA SER A 27 13.445 -9.028 1.103 1.00 0.00 C ATOM 378 C SER A 27 13.331 -7.547 0.733 1.00 0.00 C ATOM 379 O SER A 27 13.516 -6.685 1.590 1.00 0.00 O ATOM 380 CB SER A 27 14.834 -9.585 0.766 1.00 0.00 C ATOM 381 OG SER A 27 15.803 -9.079 1.662 1.00 0.00 O ATOM 0 H SER A 27 12.790 -10.309 -0.405 1.00 0.00 H new ATOM 0 HA SER A 27 13.305 -9.151 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.817 -10.674 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.101 -9.317 -0.256 1.00 0.00 H new ATOM 0 HG SER A 27 16.683 -9.446 1.434 1.00 0.00 H new ATOM 387 N VAL A 28 13.011 -7.246 -0.534 1.00 0.00 N ATOM 388 CA VAL A 28 12.842 -5.877 -0.994 1.00 0.00 C ATOM 389 C VAL A 28 11.362 -5.524 -1.038 1.00 0.00 C ATOM 390 O VAL A 28 10.476 -6.374 -1.149 1.00 0.00 O ATOM 391 CB VAL A 28 13.485 -5.627 -2.374 1.00 0.00 C ATOM 392 CG1 VAL A 28 14.974 -5.295 -2.226 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.310 -6.750 -3.386 1.00 0.00 C ATOM 0 H VAL A 28 12.864 -7.948 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 28 13.358 -5.234 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 28 12.938 -4.776 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.408 -5.122 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.088 -4.398 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.486 -6.128 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.798 -6.476 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.759 -7.664 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.248 -6.916 -3.566 1.00 0.00 H new ATOM 403 N ARG A 29 11.107 -4.223 -0.979 1.00 0.00 N ATOM 404 CA ARG A 29 9.809 -3.609 -1.081 1.00 0.00 C ATOM 405 C ARG A 29 10.000 -2.503 -2.125 1.00 0.00 C ATOM 406 O ARG A 29 11.099 -1.962 -2.234 1.00 0.00 O ATOM 407 CB ARG A 29 9.322 -3.191 0.318 1.00 0.00 C ATOM 408 CG ARG A 29 10.377 -2.611 1.261 1.00 0.00 C ATOM 409 CD ARG A 29 11.094 -3.668 2.114 1.00 0.00 C ATOM 410 NE ARG A 29 10.147 -4.332 3.023 1.00 0.00 N ATOM 411 CZ ARG A 29 10.045 -5.656 3.223 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.971 -6.506 2.764 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.984 -6.133 3.881 1.00 0.00 N ATOM 0 H ARG A 29 11.851 -3.537 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 29 9.000 -4.255 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.529 -2.453 0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.876 -4.062 0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.118 -2.069 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.901 -1.886 1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.564 -4.408 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.891 -3.198 2.691 1.00 0.00 H new ATOM 0 HE ARG A 29 9.511 -3.733 3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.777 -6.152 2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.871 -7.508 2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.266 -5.494 4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.892 -7.136 4.041 1.00 0.00 H new ATOM 427 N VAL A 30 8.995 -2.257 -2.966 1.00 0.00 N ATOM 428 CA VAL A 30 9.038 -1.337 -4.089 1.00 0.00 C ATOM 429 C VAL A 30 8.023 -0.202 -3.921 1.00 0.00 C ATOM 430 O VAL A 30 6.964 -0.361 -3.302 1.00 0.00 O ATOM 431 CB VAL A 30 8.811 -2.103 -5.407 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.042 -2.922 -5.810 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.587 -3.030 -5.344 1.00 0.00 C ATOM 0 H VAL A 30 8.090 -2.718 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 30 10.026 -0.878 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 30 8.627 -1.339 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.840 -3.446 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.894 -2.256 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.268 -3.647 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.472 -3.546 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.726 -3.763 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.694 -2.440 -5.141 1.00 0.00 H new ATOM 443 N CYS A 31 8.364 0.962 -4.485 1.00 0.00 N ATOM 444 CA CYS A 31 7.529 2.155 -4.438 1.00 0.00 C ATOM 445 C CYS A 31 6.245 1.901 -5.219 1.00 0.00 C ATOM 446 O CYS A 31 6.207 2.045 -6.438 1.00 0.00 O ATOM 447 CB CYS A 31 8.266 3.369 -5.003 1.00 0.00 C ATOM 448 SG CYS A 31 9.677 3.918 -4.027 1.00 0.00 S ATOM 0 H CYS A 31 9.239 1.098 -4.991 1.00 0.00 H new ATOM 0 HA CYS A 31 7.287 2.373 -3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.609 3.132 -6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.561 4.195 -5.093 1.00 0.00 H new ATOM 453 N THR A 32 5.189 1.530 -4.504 1.00 0.00 N ATOM 454 CA THR A 32 3.890 1.205 -5.058 1.00 0.00 C ATOM 455 C THR A 32 2.983 2.429 -4.892 1.00 0.00 C ATOM 456 O THR A 32 3.053 3.086 -3.853 1.00 0.00 O ATOM 457 CB THR A 32 3.361 -0.022 -4.308 1.00 0.00 C ATOM 458 OG1 THR A 32 4.343 -1.043 -4.355 1.00 0.00 O ATOM 459 CG2 THR A 32 2.059 -0.555 -4.908 1.00 0.00 C ATOM 0 H THR A 32 5.220 1.446 -3.488 1.00 0.00 H new ATOM 0 HA THR A 32 3.934 0.964 -6.120 1.00 0.00 H new ATOM 0 HB THR A 32 3.151 0.279 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.129 -0.765 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.726 -1.424 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.294 0.221 -4.866 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.227 -0.842 -5.946 1.00 0.00 H new ATOM 467 N PRO A 33 2.177 2.788 -5.904 1.00 0.00 N ATOM 468 CA PRO A 33 1.247 3.905 -5.827 1.00 0.00 C ATOM 469 C PRO A 33 0.316 3.808 -4.619 1.00 0.00 C ATOM 470 O PRO A 33 -0.009 2.708 -4.173 1.00 0.00 O ATOM 471 CB PRO A 33 0.427 3.841 -7.120 1.00 0.00 C ATOM 472 CG PRO A 33 1.367 3.155 -8.108 1.00 0.00 C ATOM 473 CD PRO A 33 2.147 2.182 -7.225 1.00 0.00 C ATOM 0 HA PRO A 33 1.790 4.843 -5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.494 3.274 -6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.141 4.835 -7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.818 2.635 -8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.026 3.870 -8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.664 1.205 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.156 2.028 -7.608 1.00 0.00 H new ATOM 481 N VAL A 34 -0.123 4.956 -4.092 1.00 0.00 N ATOM 482 CA VAL A 34 -1.132 4.955 -3.039 1.00 0.00 C ATOM 483 C VAL A 34 -2.405 4.271 -3.559 1.00 0.00 C ATOM 484 O VAL A 34 -2.710 4.326 -4.754 1.00 0.00 O ATOM 485 CB VAL A 34 -1.439 6.375 -2.533 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.379 6.843 -1.537 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.565 7.396 -3.666 1.00 0.00 C ATOM 0 H VAL A 34 0.201 5.881 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.740 4.398 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.407 6.315 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.620 7.850 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.357 6.165 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.598 6.848 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.782 8.379 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.630 7.437 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.373 7.100 -4.334 1.00 0.00 H new ATOM 497 N GLY A 35 -3.154 3.633 -2.657 1.00 0.00 N ATOM 498 CA GLY A 35 -4.359 2.898 -2.997 1.00 0.00 C ATOM 499 C GLY A 35 -5.366 3.795 -3.720 1.00 0.00 C ATOM 500 O GLY A 35 -6.003 4.656 -3.114 1.00 0.00 O ATOM 0 H GLY A 35 -2.933 3.616 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.104 2.048 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.811 2.495 -2.091 1.00 0.00 H new ATOM 504 N THR A 36 -5.492 3.597 -5.028 1.00 0.00 N ATOM 505 CA THR A 36 -6.358 4.366 -5.905 1.00 0.00 C ATOM 506 C THR A 36 -7.649 3.572 -6.150 1.00 0.00 C ATOM 507 O THR A 36 -7.716 2.383 -5.845 1.00 0.00 O ATOM 508 CB THR A 36 -5.556 4.679 -7.180 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.350 5.328 -6.813 1.00 0.00 O ATOM 510 CG2 THR A 36 -6.292 5.603 -8.155 1.00 0.00 C ATOM 0 H THR A 36 -4.974 2.870 -5.521 1.00 0.00 H new ATOM 0 HA THR A 36 -6.670 5.316 -5.471 1.00 0.00 H new ATOM 0 HB THR A 36 -5.388 3.726 -7.681 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.845 4.756 -6.198 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.667 5.780 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.226 5.135 -8.465 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.507 6.552 -7.665 1.00 0.00 H new ATOM 518 N SER A 37 -8.682 4.242 -6.664 1.00 0.00 N ATOM 519 CA SER A 37 -10.009 3.724 -6.954 1.00 0.00 C ATOM 520 C SER A 37 -10.039 2.249 -7.372 1.00 0.00 C ATOM 521 O SER A 37 -9.572 1.904 -8.455 1.00 0.00 O ATOM 522 CB SER A 37 -10.600 4.611 -8.055 1.00 0.00 C ATOM 523 OG SER A 37 -10.261 5.964 -7.788 1.00 0.00 O ATOM 0 H SER A 37 -8.602 5.230 -6.903 1.00 0.00 H new ATOM 0 HA SER A 37 -10.597 3.755 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.213 4.311 -9.029 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.683 4.494 -8.092 1.00 0.00 H new ATOM 0 HG SER A 37 -10.634 6.539 -8.489 1.00 0.00 H new ATOM 529 N GLY A 38 -10.599 1.386 -6.521 1.00 0.00 N ATOM 530 CA GLY A 38 -10.776 -0.029 -6.808 1.00 0.00 C ATOM 531 C GLY A 38 -9.570 -0.907 -6.468 1.00 0.00 C ATOM 532 O GLY A 38 -9.713 -2.127 -6.449 1.00 0.00 O ATOM 0 H GLY A 38 -10.945 1.660 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.641 -0.393 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.005 -0.145 -7.867 1.00 0.00 H new ATOM 536 N GLU A 39 -8.390 -0.340 -6.201 1.00 0.00 N ATOM 537 CA GLU A 39 -7.229 -1.151 -5.858 1.00 0.00 C ATOM 538 C GLU A 39 -7.426 -1.789 -4.480 1.00 0.00 C ATOM 539 O GLU A 39 -8.000 -1.171 -3.582 1.00 0.00 O ATOM 540 CB GLU A 39 -5.947 -0.312 -5.894 1.00 0.00 C ATOM 541 CG GLU A 39 -5.661 0.204 -7.312 1.00 0.00 C ATOM 542 CD GLU A 39 -4.320 0.927 -7.394 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.038 1.710 -6.461 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.604 0.691 -8.390 1.00 0.00 O ATOM 0 H GLU A 39 -8.219 0.665 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.126 -1.945 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.042 0.531 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.106 -0.912 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.666 -0.633 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.458 0.881 -7.620 1.00 0.00 H new ATOM 551 N ASP A 40 -6.956 -3.029 -4.322 1.00 0.00 N ATOM 552 CA ASP A 40 -7.048 -3.762 -3.067 1.00 0.00 C ATOM 553 C ASP A 40 -6.248 -3.052 -1.977 1.00 0.00 C ATOM 554 O ASP A 40 -5.235 -2.412 -2.262 1.00 0.00 O ATOM 555 CB ASP A 40 -6.564 -5.203 -3.254 1.00 0.00 C ATOM 556 CG ASP A 40 -7.478 -5.983 -4.191 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.252 -5.880 -5.416 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.393 -6.655 -3.667 1.00 0.00 O ATOM 0 H ASP A 40 -6.499 -3.552 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.092 -3.794 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.550 -5.198 -3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.522 -5.702 -2.286 1.00 0.00 H new ATOM 563 N CYS A 41 -6.692 -3.176 -0.726 1.00 0.00 N ATOM 564 CA CYS A 41 -6.074 -2.530 0.423 1.00 0.00 C ATOM 565 C CYS A 41 -6.226 -3.399 1.659 1.00 0.00 C ATOM 566 O CYS A 41 -7.202 -4.130 1.799 1.00 0.00 O ATOM 567 CB CYS A 41 -6.736 -1.175 0.677 1.00 0.00 C ATOM 568 SG CYS A 41 -8.512 -1.271 1.004 1.00 0.00 S ATOM 0 H CYS A 41 -7.507 -3.740 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.014 -2.386 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.247 -0.697 1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.571 -0.534 -0.189 1.00 0.00 H new ATOM 573 N HIS A 42 -5.266 -3.295 2.575 1.00 0.00 N ATOM 574 CA HIS A 42 -5.296 -3.976 3.854 1.00 0.00 C ATOM 575 C HIS A 42 -5.799 -2.933 4.852 1.00 0.00 C ATOM 576 O HIS A 42 -5.283 -1.813 4.840 1.00 0.00 O ATOM 577 CB HIS A 42 -3.876 -4.437 4.211 1.00 0.00 C ATOM 578 CG HIS A 42 -3.810 -5.313 5.433 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.353 -4.923 6.656 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.280 -6.567 5.567 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.150 -5.963 7.470 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.512 -6.976 6.863 1.00 0.00 N ATOM 0 H HIS A 42 -4.432 -2.723 2.440 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.935 -4.859 3.851 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.457 -4.979 3.364 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.249 -3.560 4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.773 -7.132 4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.465 -5.986 8.503 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.251 -7.870 7.278 1.00 0.00 H new ATOM 590 N PRO A 43 -6.792 -3.236 5.701 1.00 0.00 N ATOM 591 CA PRO A 43 -7.310 -2.268 6.656 1.00 0.00 C ATOM 592 C PRO A 43 -6.210 -1.677 7.548 1.00 0.00 C ATOM 593 O PRO A 43 -6.357 -0.552 8.018 1.00 0.00 O ATOM 594 CB PRO A 43 -8.401 -2.997 7.447 1.00 0.00 C ATOM 595 CG PRO A 43 -8.072 -4.478 7.255 1.00 0.00 C ATOM 596 CD PRO A 43 -7.459 -4.519 5.856 1.00 0.00 C ATOM 0 HA PRO A 43 -7.725 -1.398 6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.384 -2.718 8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.395 -2.757 7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.374 -4.837 8.011 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.964 -5.101 7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.754 -5.345 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.225 -4.661 5.093 1.00 0.00 H new ATOM 604 N ALA A 44 -5.103 -2.401 7.760 1.00 0.00 N ATOM 605 CA ALA A 44 -3.974 -1.932 8.552 1.00 0.00 C ATOM 606 C ALA A 44 -2.834 -1.401 7.670 1.00 0.00 C ATOM 607 O ALA A 44 -1.683 -1.416 8.104 1.00 0.00 O ATOM 608 CB ALA A 44 -3.489 -3.062 9.466 1.00 0.00 C ATOM 0 H ALA A 44 -4.971 -3.338 7.379 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.307 -1.094 9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.644 -2.713 10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.298 -3.365 10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.179 -3.913 8.859 1.00 0.00 H new ATOM 614 N SER A 45 -3.118 -0.938 6.443 1.00 0.00 N ATOM 615 CA SER A 45 -2.111 -0.325 5.590 1.00 0.00 C ATOM 616 C SER A 45 -1.513 0.878 6.326 1.00 0.00 C ATOM 617 O SER A 45 -2.158 1.915 6.452 1.00 0.00 O ATOM 618 CB SER A 45 -2.743 0.127 4.274 1.00 0.00 C ATOM 619 OG SER A 45 -3.077 -0.977 3.455 1.00 0.00 O ATOM 0 H SER A 45 -4.047 -0.981 6.025 1.00 0.00 H new ATOM 0 HA SER A 45 -1.327 -1.048 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.639 0.712 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.051 0.780 3.742 1.00 0.00 H new ATOM 0 HG SER A 45 -3.866 -1.429 3.821 1.00 0.00 H new ATOM 625 N HIS A 46 -0.277 0.728 6.802 1.00 0.00 N ATOM 626 CA HIS A 46 0.423 1.717 7.620 1.00 0.00 C ATOM 627 C HIS A 46 0.413 3.093 6.967 1.00 0.00 C ATOM 628 O HIS A 46 0.598 3.193 5.752 1.00 0.00 O ATOM 629 CB HIS A 46 1.875 1.294 7.921 1.00 0.00 C ATOM 630 CG HIS A 46 2.127 -0.168 7.735 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.632 -0.697 6.543 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.556 -1.161 8.462 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.371 -2.007 6.628 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.667 -2.322 7.726 1.00 0.00 N ATOM 0 H HIS A 46 0.280 -0.108 6.624 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.120 1.773 8.564 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.549 1.855 7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.118 1.568 8.948 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.100 -1.061 9.436 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.692 -2.731 5.894 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.289 -3.238 7.968 1.00 0.00 H new ATOM 642 N LYS A 47 0.258 4.137 7.782 1.00 0.00 N ATOM 643 CA LYS A 47 0.251 5.525 7.322 1.00 0.00 C ATOM 644 C LYS A 47 1.522 5.855 6.528 1.00 0.00 C ATOM 645 O LYS A 47 2.470 5.074 6.533 1.00 0.00 O ATOM 646 CB LYS A 47 0.020 6.477 8.507 1.00 0.00 C ATOM 647 CG LYS A 47 1.070 6.427 9.633 1.00 0.00 C ATOM 648 CD LYS A 47 2.379 7.158 9.295 1.00 0.00 C ATOM 649 CE LYS A 47 3.225 7.345 10.560 1.00 0.00 C ATOM 650 NZ LYS A 47 4.450 8.111 10.275 1.00 0.00 N ATOM 0 H LYS A 47 0.133 4.041 8.790 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.580 5.665 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.024 7.497 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.956 6.256 8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.643 6.865 10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.295 5.385 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.941 6.589 8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.158 8.128 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.638 7.862 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.490 6.371 10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.123 7.994 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.880 7.763 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.213 9.118 10.170 1.00 0.00 H new ATOM 664 N ILE A 48 1.556 6.993 5.830 1.00 0.00 N ATOM 665 CA ILE A 48 2.712 7.430 5.050 1.00 0.00 C ATOM 666 C ILE A 48 3.206 8.736 5.681 1.00 0.00 C ATOM 667 O ILE A 48 2.367 9.588 5.976 1.00 0.00 O ATOM 668 CB ILE A 48 2.312 7.643 3.576 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.766 6.347 2.954 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.517 8.112 2.746 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.121 6.577 1.584 1.00 0.00 C ATOM 0 H ILE A 48 0.771 7.643 5.792 1.00 0.00 H new ATOM 0 HA ILE A 48 3.502 6.679 5.061 1.00 0.00 H new ATOM 0 HB ILE A 48 1.534 8.406 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.578 5.627 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.031 5.906 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.211 8.256 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.891 9.054 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.305 7.360 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.753 5.629 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.290 7.275 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.861 6.991 0.899 1.00 0.00 H new ATOM 683 N PRO A 49 4.519 8.941 5.877 1.00 0.00 N ATOM 684 CA PRO A 49 5.609 8.022 5.576 1.00 0.00 C ATOM 685 C PRO A 49 5.775 6.985 6.690 1.00 0.00 C ATOM 686 O PRO A 49 5.797 7.336 7.868 1.00 0.00 O ATOM 687 CB PRO A 49 6.851 8.911 5.473 1.00 0.00 C ATOM 688 CG PRO A 49 6.557 10.041 6.461 1.00 0.00 C ATOM 689 CD PRO A 49 5.041 10.213 6.352 1.00 0.00 C ATOM 0 HA PRO A 49 5.428 7.458 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.758 8.368 5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.993 9.289 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.861 9.779 7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.086 10.956 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.609 10.474 7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.790 11.019 5.662 1.00 0.00 H new ATOM 697 N PHE A 50 5.924 5.710 6.326 1.00 0.00 N ATOM 698 CA PHE A 50 6.154 4.636 7.278 1.00 0.00 C ATOM 699 C PHE A 50 7.649 4.350 7.298 1.00 0.00 C ATOM 700 O PHE A 50 8.147 3.559 6.499 1.00 0.00 O ATOM 701 CB PHE A 50 5.375 3.380 6.878 1.00 0.00 C ATOM 702 CG PHE A 50 5.451 2.264 7.902 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.772 2.394 9.128 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.216 1.111 7.647 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.814 1.354 10.072 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.246 0.065 8.586 1.00 0.00 C ATOM 707 CZ PHE A 50 5.541 0.183 9.796 1.00 0.00 C ATOM 0 H PHE A 50 5.887 5.398 5.356 1.00 0.00 H new ATOM 0 HA PHE A 50 5.808 4.931 8.269 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.330 3.646 6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.758 3.014 5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.217 3.295 9.344 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.780 1.029 6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.288 1.454 11.010 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.812 -0.831 8.377 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.558 -0.625 10.513 1.00 0.00 H new ATOM 717 N SER A 51 8.371 5.013 8.201 1.00 0.00 N ATOM 718 CA SER A 51 9.805 4.846 8.378 1.00 0.00 C ATOM 719 C SER A 51 10.120 3.490 9.024 1.00 0.00 C ATOM 720 O SER A 51 10.652 3.436 10.130 1.00 0.00 O ATOM 721 CB SER A 51 10.326 6.009 9.229 1.00 0.00 C ATOM 722 OG SER A 51 9.856 7.231 8.689 1.00 0.00 O ATOM 0 H SER A 51 7.963 5.694 8.841 1.00 0.00 H new ATOM 0 HA SER A 51 10.305 4.857 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.989 5.900 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.416 6.002 9.248 1.00 0.00 H new ATOM 0 HG SER A 51 10.186 7.977 9.232 1.00 0.00 H new ATOM 728 N GLY A 52 9.792 2.398 8.335 1.00 0.00 N ATOM 729 CA GLY A 52 10.000 1.036 8.784 1.00 0.00 C ATOM 730 C GLY A 52 9.700 0.101 7.618 1.00 0.00 C ATOM 731 O GLY A 52 9.287 0.551 6.549 1.00 0.00 O ATOM 0 H GLY A 52 9.358 2.448 7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.026 0.901 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.350 0.811 9.629 1.00 0.00 H new ATOM 735 N GLN A 53 9.893 -1.203 7.818 1.00 0.00 N ATOM 736 CA GLN A 53 9.680 -2.187 6.770 1.00 0.00 C ATOM 737 C GLN A 53 8.212 -2.598 6.734 1.00 0.00 C ATOM 738 O GLN A 53 7.728 -3.253 7.655 1.00 0.00 O ATOM 739 CB GLN A 53 10.626 -3.384 6.969 1.00 0.00 C ATOM 740 CG GLN A 53 12.087 -2.956 7.210 1.00 0.00 C ATOM 741 CD GLN A 53 12.518 -1.804 6.306 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.964 -0.765 6.782 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.327 -1.962 5.003 1.00 0.00 N ATOM 0 H GLN A 53 10.199 -1.599 8.707 1.00 0.00 H new ATOM 0 HA GLN A 53 9.916 -1.752 5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.281 -3.977 7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.581 -4.027 6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.208 -2.660 8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.744 -3.810 7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.954 -2.841 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.553 -1.204 4.359 1.00 0.00 H new ATOM 752 N ARG A 54 7.488 -2.178 5.692 1.00 0.00 N ATOM 753 CA ARG A 54 6.088 -2.537 5.535 1.00 0.00 C ATOM 754 C ARG A 54 5.962 -4.059 5.472 1.00 0.00 C ATOM 755 O ARG A 54 6.656 -4.709 4.690 1.00 0.00 O ATOM 756 CB ARG A 54 5.492 -1.878 4.286 1.00 0.00 C ATOM 757 CG ARG A 54 5.416 -0.358 4.467 1.00 0.00 C ATOM 758 CD ARG A 54 4.573 0.285 3.365 1.00 0.00 C ATOM 759 NE ARG A 54 4.329 1.706 3.646 1.00 0.00 N ATOM 760 CZ ARG A 54 3.230 2.179 4.252 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.311 1.346 4.739 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.043 3.488 4.391 1.00 0.00 N ATOM 0 H ARG A 54 7.856 -1.587 4.946 1.00 0.00 H new ATOM 0 HA ARG A 54 5.524 -2.171 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.102 -2.117 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.496 -2.278 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.986 -0.126 5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.421 0.064 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.083 0.183 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.622 -0.240 3.278 1.00 0.00 H new ATOM 0 HE ARG A 54 5.042 2.377 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.440 0.338 4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.479 1.717 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.739 4.143 4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.204 3.837 4.854 1.00 0.00 H new ATOM 776 N MET A 55 5.071 -4.610 6.300 1.00 0.00 N ATOM 777 CA MET A 55 4.817 -6.039 6.426 1.00 0.00 C ATOM 778 C MET A 55 3.431 -6.406 5.884 1.00 0.00 C ATOM 779 O MET A 55 2.815 -7.363 6.344 1.00 0.00 O ATOM 780 CB MET A 55 5.022 -6.454 7.892 1.00 0.00 C ATOM 781 CG MET A 55 4.086 -5.733 8.874 1.00 0.00 C ATOM 782 SD MET A 55 4.273 -6.207 10.612 1.00 0.00 S ATOM 783 CE MET A 55 5.931 -5.576 10.954 1.00 0.00 C ATOM 0 H MET A 55 4.488 -4.049 6.921 1.00 0.00 H new ATOM 0 HA MET A 55 5.526 -6.599 5.816 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.869 -7.530 7.981 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.055 -6.255 8.176 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.253 -4.659 8.787 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.056 -5.921 8.572 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.120 -5.612 12.027 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.668 -6.189 10.435 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.007 -4.546 10.607 1.00 0.00 H new ATOM 793 N HIS A 56 2.936 -5.636 4.911 1.00 0.00 N ATOM 794 CA HIS A 56 1.669 -5.861 4.233 1.00 0.00 C ATOM 795 C HIS A 56 1.894 -5.536 2.762 1.00 0.00 C ATOM 796 O HIS A 56 2.797 -4.766 2.432 1.00 0.00 O ATOM 797 CB HIS A 56 0.542 -5.014 4.839 1.00 0.00 C ATOM 798 CG HIS A 56 0.142 -5.434 6.229 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.035 -4.507 7.255 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.126 -6.685 6.717 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.416 -5.232 8.310 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.456 -6.547 8.048 1.00 0.00 N ATOM 0 H HIS A 56 3.428 -4.812 4.566 1.00 0.00 H new ATOM 0 HA HIS A 56 1.349 -6.896 4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.857 -3.971 4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.331 -5.069 4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.086 -7.610 6.161 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.665 -4.806 9.270 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.685 -7.295 8.703 1.00 0.00 H new ATOM 810 N HIS A 57 1.081 -6.129 1.886 1.00 0.00 N ATOM 811 CA HIS A 57 1.247 -6.017 0.444 1.00 0.00 C ATOM 812 C HIS A 57 0.379 -4.922 -0.188 1.00 0.00 C ATOM 813 O HIS A 57 0.002 -5.025 -1.353 1.00 0.00 O ATOM 814 CB HIS A 57 1.028 -7.397 -0.196 1.00 0.00 C ATOM 815 CG HIS A 57 2.036 -7.605 -1.286 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.250 -6.611 -2.232 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.034 -8.537 -1.386 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.387 -6.950 -2.823 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.908 -8.082 -2.346 1.00 0.00 N ATOM 0 H HIS A 57 0.285 -6.703 2.164 1.00 0.00 H new ATOM 0 HA HIS A 57 2.268 -5.693 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.124 -8.179 0.557 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.018 -7.466 -0.601 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.663 -5.800 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.119 -9.453 -0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.845 -6.369 -3.610 1.00 0.00 H new ATOM 827 N THR A 58 0.003 -3.888 0.570 1.00 0.00 N ATOM 828 CA THR A 58 -0.769 -2.778 0.030 1.00 0.00 C ATOM 829 C THR A 58 -0.302 -1.463 0.633 1.00 0.00 C ATOM 830 O THR A 58 0.308 -1.445 1.702 1.00 0.00 O ATOM 831 CB THR A 58 -2.280 -2.979 0.253 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.632 -2.968 1.629 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.777 -4.301 -0.343 1.00 0.00 C ATOM 0 H THR A 58 0.224 -3.802 1.562 1.00 0.00 H new ATOM 0 HA THR A 58 -0.600 -2.745 -1.046 1.00 0.00 H new ATOM 0 HB THR A 58 -2.755 -2.138 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.715 -2.042 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.847 -4.402 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.587 -4.310 -1.416 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.250 -5.132 0.126 1.00 0.00 H new ATOM 841 N CYS A 59 -0.622 -0.367 -0.053 1.00 0.00 N ATOM 842 CA CYS A 59 -0.405 0.986 0.426 1.00 0.00 C ATOM 843 C CYS A 59 -1.763 1.515 0.865 1.00 0.00 C ATOM 844 O CYS A 59 -2.785 1.038 0.368 1.00 0.00 O ATOM 845 CB CYS A 59 0.151 1.872 -0.690 1.00 0.00 C ATOM 846 SG CYS A 59 1.835 1.491 -1.199 1.00 0.00 S ATOM 0 H CYS A 59 -1.049 -0.402 -0.979 1.00 0.00 H new ATOM 0 HA CYS A 59 0.315 0.992 1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.502 1.789 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.113 2.911 -0.361 1.00 0.00 H new ATOM 851 N PRO A 60 -1.806 2.480 1.793 1.00 0.00 N ATOM 852 CA PRO A 60 -3.065 3.040 2.231 1.00 0.00 C ATOM 853 C PRO A 60 -3.687 3.821 1.078 1.00 0.00 C ATOM 854 O PRO A 60 -3.017 4.174 0.103 1.00 0.00 O ATOM 855 CB PRO A 60 -2.746 3.910 3.444 1.00 0.00 C ATOM 856 CG PRO A 60 -1.292 4.309 3.216 1.00 0.00 C ATOM 857 CD PRO A 60 -0.685 3.141 2.433 1.00 0.00 C ATOM 0 HA PRO A 60 -3.796 2.284 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.399 4.781 3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.871 3.361 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.221 5.241 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.772 4.465 4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.035 3.495 1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.153 2.458 3.096 1.00 0.00 H new ATOM 865 N CYS A 61 -4.990 4.062 1.186 1.00 0.00 N ATOM 866 CA CYS A 61 -5.743 4.728 0.144 1.00 0.00 C ATOM 867 C CYS A 61 -5.288 6.174 -0.031 1.00 0.00 C ATOM 868 O CYS A 61 -4.906 6.831 0.937 1.00 0.00 O ATOM 869 CB CYS A 61 -7.239 4.640 0.442 1.00 0.00 C ATOM 870 SG CYS A 61 -7.898 2.967 0.613 1.00 0.00 S ATOM 0 H CYS A 61 -5.547 3.799 1.999 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.553 4.220 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.442 5.188 1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.782 5.146 -0.356 1.00 0.00 H new ATOM 875 N ALA A 62 -5.316 6.667 -1.272 1.00 0.00 N ATOM 876 CA ALA A 62 -4.945 8.040 -1.576 1.00 0.00 C ATOM 877 C ALA A 62 -5.828 8.979 -0.742 1.00 0.00 C ATOM 878 O ALA A 62 -7.040 8.755 -0.730 1.00 0.00 O ATOM 879 CB ALA A 62 -5.131 8.311 -3.069 1.00 0.00 C ATOM 0 H ALA A 62 -5.596 6.123 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.897 8.211 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.851 9.341 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.500 7.633 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.175 8.153 -3.340 1.00 0.00 H new ATOM 885 N PRO A 63 -5.259 9.988 -0.051 1.00 0.00 N ATOM 886 CA PRO A 63 -5.953 10.949 0.811 1.00 0.00 C ATOM 887 C PRO A 63 -7.264 11.526 0.271 1.00 0.00 C ATOM 888 O PRO A 63 -7.329 12.660 -0.197 1.00 0.00 O ATOM 889 CB PRO A 63 -4.925 12.034 1.127 1.00 0.00 C ATOM 890 CG PRO A 63 -3.663 11.191 1.228 1.00 0.00 C ATOM 891 CD PRO A 63 -3.823 10.202 0.076 1.00 0.00 C ATOM 0 HA PRO A 63 -6.304 10.426 1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.860 12.787 0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.148 12.561 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.763 11.796 1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.592 10.683 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.402 10.601 -0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.303 9.267 0.285 1.00 0.00 H new ATOM 899 N ASN A 64 -8.309 10.718 0.403 1.00 0.00 N ATOM 900 CA ASN A 64 -9.691 10.939 -0.004 1.00 0.00 C ATOM 901 C ASN A 64 -10.412 9.595 0.050 1.00 0.00 C ATOM 902 O ASN A 64 -11.440 9.459 0.706 1.00 0.00 O ATOM 903 CB ASN A 64 -9.791 11.522 -1.425 1.00 0.00 C ATOM 904 CG ASN A 64 -11.159 11.254 -2.045 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.280 10.511 -3.014 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.187 11.831 -1.447 1.00 0.00 N ATOM 0 H ASN A 64 -8.199 9.803 0.840 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.147 11.664 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.610 12.596 -1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.014 11.087 -2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.134 11.666 -1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.033 12.441 -0.644 1.00 0.00 H new ATOM 913 N LEU A 65 -9.861 8.602 -0.650 1.00 0.00 N ATOM 914 CA LEU A 65 -10.456 7.281 -0.724 1.00 0.00 C ATOM 915 C LEU A 65 -10.302 6.565 0.619 1.00 0.00 C ATOM 916 O LEU A 65 -9.393 6.874 1.389 1.00 0.00 O ATOM 917 CB LEU A 65 -9.832 6.487 -1.880 1.00 0.00 C ATOM 918 CG LEU A 65 -10.172 7.088 -3.255 1.00 0.00 C ATOM 919 CD1 LEU A 65 -9.019 7.932 -3.808 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.461 5.964 -4.251 1.00 0.00 C ATOM 0 H LEU A 65 -8.993 8.697 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.523 7.368 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.749 6.460 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.183 5.456 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.045 7.727 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.299 8.338 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.805 8.750 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.132 7.309 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.701 6.393 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.583 5.325 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.305 5.372 -3.897 1.00 0.00 H new ATOM 932 N ALA A 66 -11.190 5.607 0.897 1.00 0.00 N ATOM 933 CA ALA A 66 -11.221 4.832 2.130 1.00 0.00 C ATOM 934 C ALA A 66 -11.137 3.342 1.806 1.00 0.00 C ATOM 935 O ALA A 66 -11.671 2.895 0.790 1.00 0.00 O ATOM 936 CB ALA A 66 -12.513 5.150 2.888 1.00 0.00 C ATOM 0 H ALA A 66 -11.930 5.344 0.245 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.368 5.094 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.544 4.573 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.545 6.214 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.372 4.889 2.269 1.00 0.00 H new ATOM 942 N CYS A 67 -10.466 2.573 2.669 1.00 0.00 N ATOM 943 CA CYS A 67 -10.306 1.134 2.508 1.00 0.00 C ATOM 944 C CYS A 67 -11.572 0.443 3.016 1.00 0.00 C ATOM 945 O CYS A 67 -11.721 0.271 4.224 1.00 0.00 O ATOM 946 CB CYS A 67 -9.064 0.659 3.277 1.00 0.00 C ATOM 947 SG CYS A 67 -8.732 -1.100 3.062 1.00 0.00 S ATOM 0 H CYS A 67 -10.016 2.941 3.507 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.162 0.882 1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.197 1.230 2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.197 0.871 4.338 1.00 0.00 H new ATOM 952 N VAL A 68 -12.495 0.082 2.118 1.00 0.00 N ATOM 953 CA VAL A 68 -13.792 -0.487 2.482 1.00 0.00 C ATOM 954 C VAL A 68 -13.952 -1.898 1.918 1.00 0.00 C ATOM 955 O VAL A 68 -13.360 -2.261 0.902 1.00 0.00 O ATOM 956 CB VAL A 68 -14.931 0.435 2.002 1.00 0.00 C ATOM 957 CG1 VAL A 68 -16.309 -0.012 2.514 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.713 1.885 2.460 1.00 0.00 C ATOM 0 H VAL A 68 -12.360 0.178 1.112 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.843 -0.561 3.568 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.912 0.371 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.073 0.672 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.521 -1.019 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.311 -0.007 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.535 2.506 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.676 1.921 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.773 2.258 2.053 1.00 0.00 H new ATOM 968 N GLN A 69 -14.763 -2.701 2.604 1.00 0.00 N ATOM 969 CA GLN A 69 -15.100 -4.056 2.223 1.00 0.00 C ATOM 970 C GLN A 69 -16.017 -4.088 1.004 1.00 0.00 C ATOM 971 O GLN A 69 -17.044 -3.415 0.982 1.00 0.00 O ATOM 972 CB GLN A 69 -15.800 -4.733 3.409 1.00 0.00 C ATOM 973 CG GLN A 69 -14.801 -5.495 4.279 1.00 0.00 C ATOM 974 CD GLN A 69 -14.649 -6.919 3.753 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.546 -7.739 3.916 1.00 0.00 O ATOM 976 NE2 GLN A 69 -13.561 -7.225 3.057 1.00 0.00 N ATOM 0 H GLN A 69 -15.216 -2.408 3.470 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.183 -4.583 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.311 -3.981 4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.563 -5.419 3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.836 -4.988 4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.144 -5.513 5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.824 -6.531 2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.462 -8.154 2.648 1.00 0.00 H new ATOM 985 N THR A 70 -15.650 -4.903 0.015 1.00 0.00 N ATOM 986 CA THR A 70 -16.472 -5.180 -1.156 1.00 0.00 C ATOM 987 C THR A 70 -17.167 -6.527 -0.939 1.00 0.00 C ATOM 988 O THR A 70 -18.331 -6.703 -1.291 1.00 0.00 O ATOM 989 CB THR A 70 -15.615 -5.168 -2.428 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.605 -6.155 -2.375 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.971 -3.793 -2.634 1.00 0.00 C ATOM 0 H THR A 70 -14.757 -5.396 0.008 1.00 0.00 H new ATOM 0 HA THR A 70 -17.230 -4.408 -1.287 1.00 0.00 H new ATOM 0 HB THR A 70 -16.275 -5.387 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.051 -6.014 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.367 -3.806 -3.542 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.750 -3.037 -2.727 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.336 -3.557 -1.780 1.00 0.00 H new ATOM 999 N SER A 71 -16.444 -7.480 -0.345 1.00 0.00 N ATOM 1000 CA SER A 71 -16.903 -8.812 0.008 1.00 0.00 C ATOM 1001 C SER A 71 -15.904 -9.344 1.048 1.00 0.00 C ATOM 1002 O SER A 71 -14.804 -8.792 1.135 1.00 0.00 O ATOM 1003 CB SER A 71 -17.017 -9.667 -1.262 1.00 0.00 C ATOM 1004 OG SER A 71 -15.850 -9.576 -2.053 1.00 0.00 O ATOM 0 H SER A 71 -15.469 -7.327 -0.086 1.00 0.00 H new ATOM 0 HA SER A 71 -17.900 -8.828 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.192 -10.707 -0.987 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.879 -9.342 -1.845 1.00 0.00 H new ATOM 0 HG SER A 71 -15.953 -10.133 -2.853 1.00 0.00 H new ATOM 1010 N PRO A 72 -16.267 -10.354 1.858 1.00 0.00 N ATOM 1011 CA PRO A 72 -15.422 -10.916 2.906 1.00 0.00 C ATOM 1012 C PRO A 72 -13.943 -10.988 2.516 1.00 0.00 C ATOM 1013 O PRO A 72 -13.600 -11.641 1.535 1.00 0.00 O ATOM 1014 CB PRO A 72 -16.025 -12.289 3.205 1.00 0.00 C ATOM 1015 CG PRO A 72 -17.518 -12.020 3.013 1.00 0.00 C ATOM 1016 CD PRO A 72 -17.543 -11.053 1.827 1.00 0.00 C ATOM 0 HA PRO A 72 -15.413 -10.279 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.656 -13.055 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.796 -12.625 4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.069 -12.936 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.967 -11.579 3.903 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.672 -11.590 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.374 -10.353 1.911 1.00 0.00 H new ATOM 1024 N LYS A 73 -13.086 -10.271 3.254 1.00 0.00 N ATOM 1025 CA LYS A 73 -11.639 -10.155 3.054 1.00 0.00 C ATOM 1026 C LYS A 73 -11.265 -9.206 1.905 1.00 0.00 C ATOM 1027 O LYS A 73 -10.246 -8.521 1.987 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.944 -11.520 2.909 1.00 0.00 C ATOM 1029 CG LYS A 73 -11.265 -12.464 4.076 1.00 0.00 C ATOM 1030 CD LYS A 73 -10.454 -13.759 3.939 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.667 -14.699 5.131 1.00 0.00 C ATOM 1032 NZ LYS A 73 -12.065 -15.156 5.235 1.00 0.00 N ATOM 0 H LYS A 73 -13.405 -9.724 4.054 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.259 -9.702 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.253 -11.985 1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.866 -11.372 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.032 -11.977 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.331 -12.692 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.739 -14.270 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.395 -13.516 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.010 -15.563 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.384 -14.187 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.146 -15.854 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.681 -14.344 5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.355 -15.593 4.337 1.00 0.00 H new ATOM 1046 N LYS A 74 -12.074 -9.128 0.845 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.812 -8.244 -0.280 1.00 0.00 C ATOM 1048 C LYS A 74 -12.058 -6.791 0.139 1.00 0.00 C ATOM 1049 O LYS A 74 -13.146 -6.240 -0.052 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.665 -8.609 -1.503 1.00 0.00 C ATOM 1051 CG LYS A 74 -12.326 -9.947 -2.177 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.753 -11.160 -1.347 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.724 -12.445 -2.178 1.00 0.00 C ATOM 1054 NZ LYS A 74 -13.122 -13.604 -1.360 1.00 0.00 N ATOM 0 H LYS A 74 -12.927 -9.678 0.748 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.768 -8.364 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.712 -8.631 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.565 -7.815 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.813 -9.991 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.252 -9.996 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.091 -11.266 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.758 -11.000 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.396 -12.348 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.722 -12.603 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.096 -14.465 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.465 -13.707 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.087 -13.459 -0.999 1.00 0.00 H new ATOM 1068 N PHE A 75 -11.014 -6.161 0.672 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.998 -4.766 1.080 1.00 0.00 C ATOM 1070 C PHE A 75 -10.356 -3.989 -0.068 1.00 0.00 C ATOM 1071 O PHE A 75 -9.271 -4.356 -0.520 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.143 -4.607 2.343 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.874 -4.733 3.662 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.386 -3.576 4.281 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.856 -5.952 4.365 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.887 -3.640 5.592 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.386 -6.022 5.665 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.892 -4.865 6.283 1.00 0.00 C ATOM 0 H PHE A 75 -10.123 -6.630 0.836 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.003 -4.405 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.350 -5.355 2.317 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.661 -3.630 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.393 -2.638 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.435 -6.834 3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.268 -2.749 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.405 -6.966 6.190 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.284 -4.917 7.288 1.00 0.00 H new ATOM 1088 N LYS A 76 -11.031 -2.944 -0.560 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.554 -2.132 -1.671 1.00 0.00 C ATOM 1090 C LYS A 76 -10.739 -0.643 -1.374 1.00 0.00 C ATOM 1091 O LYS A 76 -11.575 -0.256 -0.555 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.262 -2.533 -2.973 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.267 -4.053 -3.193 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.593 -4.382 -4.653 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.816 -5.888 -4.826 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.038 -6.235 -6.240 1.00 0.00 N ATOM 0 H LYS A 76 -11.932 -2.640 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.487 -2.314 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.289 -2.168 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.769 -2.048 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.294 -4.468 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.001 -4.519 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.485 -3.838 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.778 -4.053 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.951 -6.432 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.675 -6.202 -4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.186 -7.261 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.878 -5.733 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.207 -5.957 -6.800 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.932 0.192 -2.029 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.967 1.636 -1.857 1.00 0.00 C ATOM 1112 C CYS A 77 -11.121 2.212 -2.662 1.00 0.00 C ATOM 1113 O CYS A 77 -11.042 2.261 -3.890 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.638 2.265 -2.285 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.297 1.975 -1.116 1.00 0.00 S ATOM 0 H CYS A 77 -9.231 -0.123 -2.699 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.118 1.867 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.353 1.867 -3.259 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.776 3.339 -2.408 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.188 2.642 -1.985 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.359 3.226 -2.624 1.00 0.00 C ATOM 1122 C LEU A 78 -13.433 4.716 -2.314 1.00 0.00 C ATOM 1123 O LEU A 78 -12.858 5.201 -1.340 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.626 2.481 -2.195 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.878 2.758 -3.047 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.663 2.397 -4.525 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -17.040 1.925 -2.494 1.00 0.00 C ATOM 0 H LEU A 78 -12.260 2.592 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.275 3.120 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.422 1.410 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.847 2.742 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.095 3.825 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.572 2.609 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.841 2.988 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.423 1.337 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.935 2.110 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.785 0.866 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.227 2.205 -1.457 1.00 0.00 H new ATOM 1139 N SER A 79 -14.124 5.435 -3.191 1.00 0.00 N ATOM 1140 CA SER A 79 -14.290 6.877 -3.138 1.00 0.00 C ATOM 1141 C SER A 79 -15.129 7.320 -1.938 1.00 0.00 C ATOM 1142 O SER A 79 -15.861 6.522 -1.353 1.00 0.00 O ATOM 1143 CB SER A 79 -14.929 7.335 -4.452 1.00 0.00 C ATOM 1144 OG SER A 79 -14.298 6.677 -5.537 1.00 0.00 O ATOM 0 H SER A 79 -14.601 5.011 -3.987 1.00 0.00 H new ATOM 0 HA SER A 79 -13.312 7.341 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.996 7.111 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.830 8.415 -4.560 1.00 0.00 H new ATOM 0 HG SER A 79 -14.707 6.968 -6.379 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.030 8.606 -1.608 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.735 9.295 -0.548 1.00 0.00 C ATOM 1152 C LYS A 80 -15.604 10.777 -0.914 1.00 0.00 C ATOM 1153 O LYS A 80 -14.730 11.056 -1.773 1.00 0.00 O ATOM 1154 CB LYS A 80 -15.091 8.947 0.805 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.653 9.718 2.009 1.00 0.00 C ATOM 1156 CD LYS A 80 -17.163 9.503 2.184 1.00 0.00 C ATOM 1157 CE LYS A 80 -17.704 10.236 3.416 1.00 0.00 C ATOM 1158 NZ LYS A 80 -17.139 9.709 4.671 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.375 11.590 -0.363 1.00 0.00 O ATOM 0 H LYS A 80 -14.407 9.233 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.784 9.015 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.216 7.879 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.019 9.136 0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.136 9.401 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.452 10.782 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.685 9.854 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.370 8.437 2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.474 11.298 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.790 10.146 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.664 10.100 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.215 8.672 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.138 9.983 4.743 1.00 0.00 H new