USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 497 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 33 TYR OH : rot 140:sc= 2.27 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -170:sc= 2.39 (180deg=1.03) USER MOD Set 2.1: A 1 ALA N :NH3+ -164:sc= 1.93 (180deg=0.558!) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -0.306 K(o=1.6,f=-6!) USER MOD Set 3.1: A 8 CYS SG : rot -17:sc= -0.357 USER MOD Set 3.2: A 31 GLN :FLIP amide:sc= -0.428 F(o=-1.6,f=-0.79) USER MOD Set 4.1: A 20 CYS SG : rot 150:sc= 0.0494 USER MOD Set 4.2: A 24 CYS SG : rot 50:sc= -0.606 USER MOD Single : A 2 TYR OH : rot 129:sc= 1.25 USER MOD Single : A 5 THR OG1 : rot -60:sc= 1.19 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.819 USER MOD Single : A 26 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-7.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 140:sc= -1.63! USER MOD Single : A 42 CYS SG : rot -150:sc= -0.28 USER MOD Single : A 45 CYS SG : rot 180:sc= 0.0356 USER MOD Single : A 49 CYS SG : rot 110:sc= -0.973 USER MOD Single : A 52 SER OG : rot -35:sc= 0.734 USER MOD Single : A 55 TYR OH : rot 99:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 3.76 (180deg=3.49) USER MOD Single : A 66 SER OG : rot 102:sc= 1.22 USER MOD Single : A 67 TYR OH : rot 172:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0.616 K(o=0.62,f=-0.12) USER MOD Single : A 71 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.104 -5.135 8.659 1.00 0.00 N ATOM 2 CA ALA A 1 -0.331 -4.268 7.758 1.00 0.00 C ATOM 3 C ALA A 1 -1.239 -3.622 6.708 1.00 0.00 C ATOM 4 O ALA A 1 -2.127 -4.290 6.178 1.00 0.00 O ATOM 5 CB ALA A 1 0.567 -3.274 8.481 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.541 -5.343 9.508 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.983 -4.652 8.936 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.336 -6.024 8.171 1.00 0.00 H new ATOM 0 HA ALA A 1 0.370 -4.911 7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.104 -2.670 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.042 -2.625 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.282 -3.814 9.101 1.00 0.00 H new ATOM 12 N TYR A 2 -1.036 -2.335 6.408 1.00 0.00 N ATOM 13 CA TYR A 2 -1.744 -1.633 5.349 1.00 0.00 C ATOM 14 C TYR A 2 -1.014 -1.888 4.037 1.00 0.00 C ATOM 15 O TYR A 2 0.215 -1.897 4.009 1.00 0.00 O ATOM 16 CB TYR A 2 -1.828 -0.140 5.668 1.00 0.00 C ATOM 17 CG TYR A 2 -3.049 0.239 6.485 1.00 0.00 C ATOM 18 CD1 TYR A 2 -3.114 -0.046 7.860 1.00 0.00 C ATOM 19 CD2 TYR A 2 -4.138 0.874 5.864 1.00 0.00 C ATOM 20 CE1 TYR A 2 -4.211 0.402 8.617 1.00 0.00 C ATOM 21 CE2 TYR A 2 -5.168 1.429 6.636 1.00 0.00 C ATOM 22 CZ TYR A 2 -5.166 1.248 8.027 1.00 0.00 C ATOM 23 OH TYR A 2 -6.129 1.837 8.789 1.00 0.00 O ATOM 0 H TYR A 2 -0.365 -1.749 6.905 1.00 0.00 H new ATOM 0 HA TYR A 2 -2.767 -1.999 5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.931 0.158 6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.837 0.423 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -2.323 -0.608 8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.182 0.935 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.319 0.097 9.647 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.958 1.993 6.163 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.142 2.801 8.612 1.00 0.00 H new ATOM 33 N VAL A 3 -1.767 -2.162 2.972 1.00 0.00 N ATOM 34 CA VAL A 3 -1.214 -2.688 1.735 1.00 0.00 C ATOM 35 C VAL A 3 -1.891 -2.061 0.525 1.00 0.00 C ATOM 36 O VAL A 3 -2.952 -1.449 0.612 1.00 0.00 O ATOM 37 CB VAL A 3 -1.354 -4.218 1.701 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.244 -4.845 0.847 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.330 -4.872 3.087 1.00 0.00 C ATOM 0 H VAL A 3 -2.777 -2.024 2.948 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.155 -2.432 1.696 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.335 -4.407 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.361 -5.929 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.309 -4.463 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.728 -4.590 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.434 -5.952 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.385 -4.645 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.154 -4.485 3.686 1.00 0.00 H new ATOM 49 N ILE A 4 -1.239 -2.217 -0.619 1.00 0.00 N ATOM 50 CA ILE A 4 -1.684 -1.672 -1.881 1.00 0.00 C ATOM 51 C ILE A 4 -2.906 -2.428 -2.406 1.00 0.00 C ATOM 52 O ILE A 4 -3.104 -3.589 -2.057 1.00 0.00 O ATOM 53 CB ILE A 4 -0.483 -1.786 -2.847 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.417 -0.607 -3.822 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.477 -3.114 -3.604 1.00 0.00 C ATOM 56 CD1 ILE A 4 0.010 0.676 -3.100 1.00 0.00 C ATOM 0 H ILE A 4 -0.366 -2.740 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.999 -0.634 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 4 0.412 -1.755 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.288 -0.831 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.391 -0.460 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.385 -3.149 -4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.419 -3.938 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.392 -3.203 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.050 1.499 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.711 0.909 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.995 0.533 -2.656 1.00 0.00 H new ATOM 68 N THR A 5 -3.674 -1.825 -3.317 1.00 0.00 N ATOM 69 CA THR A 5 -4.566 -2.573 -4.187 1.00 0.00 C ATOM 70 C THR A 5 -4.534 -1.982 -5.595 1.00 0.00 C ATOM 71 O THR A 5 -4.008 -0.889 -5.823 1.00 0.00 O ATOM 72 CB THR A 5 -6.007 -2.583 -3.653 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.498 -1.274 -3.498 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.172 -3.345 -2.343 1.00 0.00 C ATOM 0 H THR A 5 -3.691 -0.816 -3.467 1.00 0.00 H new ATOM 0 HA THR A 5 -4.217 -3.605 -4.215 1.00 0.00 H new ATOM 0 HB THR A 5 -6.589 -3.113 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.936 -0.787 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.215 -3.308 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.873 -4.383 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.546 -2.889 -1.576 1.00 0.00 H new ATOM 82 N GLU A 6 -5.153 -2.735 -6.508 1.00 0.00 N ATOM 83 CA GLU A 6 -5.510 -2.393 -7.872 1.00 0.00 C ATOM 84 C GLU A 6 -5.545 -0.882 -8.187 1.00 0.00 C ATOM 85 O GLU A 6 -4.742 -0.443 -9.005 1.00 0.00 O ATOM 86 CB GLU A 6 -6.789 -3.154 -8.208 1.00 0.00 C ATOM 87 CG GLU A 6 -7.271 -3.047 -9.658 1.00 0.00 C ATOM 88 CD GLU A 6 -6.516 -3.972 -10.613 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.608 -4.693 -10.143 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.862 -3.934 -11.812 1.00 0.00 O ATOM 0 H GLU A 6 -5.440 -3.687 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.711 -2.710 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.634 -4.207 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.584 -2.796 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.334 -3.283 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.160 -2.017 -9.996 1.00 0.00 H new ATOM 97 N PRO A 7 -6.433 -0.062 -7.591 1.00 0.00 N ATOM 98 CA PRO A 7 -6.595 1.337 -7.980 1.00 0.00 C ATOM 99 C PRO A 7 -5.323 2.196 -7.989 1.00 0.00 C ATOM 100 O PRO A 7 -5.301 3.197 -8.702 1.00 0.00 O ATOM 101 CB PRO A 7 -7.680 1.927 -7.069 1.00 0.00 C ATOM 102 CG PRO A 7 -7.880 0.883 -5.971 1.00 0.00 C ATOM 103 CD PRO A 7 -7.481 -0.421 -6.652 1.00 0.00 C ATOM 0 HA PRO A 7 -6.881 1.354 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.368 2.885 -6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.604 2.105 -7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.257 1.090 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.913 0.856 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.124 -1.150 -5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.330 -0.872 -7.165 1.00 0.00 H new ATOM 111 N CYS A 8 -4.275 1.851 -7.232 1.00 0.00 N ATOM 112 CA CYS A 8 -3.025 2.608 -7.291 1.00 0.00 C ATOM 113 C CYS A 8 -2.321 2.418 -8.651 1.00 0.00 C ATOM 114 O CYS A 8 -1.581 3.299 -9.090 1.00 0.00 O ATOM 115 CB CYS A 8 -2.140 2.216 -6.131 1.00 0.00 C ATOM 116 SG CYS A 8 -0.465 2.923 -6.129 1.00 0.00 S ATOM 0 H CYS A 8 -4.268 1.065 -6.582 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.246 3.672 -7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.637 2.508 -5.206 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.054 1.129 -6.117 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.185 3.378 -7.314 1.00 0.00 H new ATOM 121 N ILE A 9 -2.539 1.279 -9.326 1.00 0.00 N ATOM 122 CA ILE A 9 -1.801 0.875 -10.520 1.00 0.00 C ATOM 123 C ILE A 9 -1.686 2.012 -11.537 1.00 0.00 C ATOM 124 O ILE A 9 -2.673 2.653 -11.893 1.00 0.00 O ATOM 125 CB ILE A 9 -2.338 -0.444 -11.092 1.00 0.00 C ATOM 126 CG1 ILE A 9 -2.005 -1.547 -10.077 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.695 -0.807 -12.443 1.00 0.00 C ATOM 128 CD1 ILE A 9 -2.663 -2.882 -10.391 1.00 0.00 C ATOM 0 H ILE A 9 -3.250 0.603 -9.046 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.772 0.663 -10.230 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.410 -0.341 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.924 -1.683 -10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.317 -1.222 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.111 -1.748 -12.802 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.901 -0.019 -13.167 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.617 -0.911 -12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.383 -3.613 -9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.746 -2.761 -10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.332 -3.230 -11.369 1.00 0.00 H new ATOM 140 N GLY A 10 -0.449 2.276 -11.960 1.00 0.00 N ATOM 141 CA GLY A 10 -0.053 3.384 -12.804 1.00 0.00 C ATOM 142 C GLY A 10 0.683 4.442 -11.984 1.00 0.00 C ATOM 143 O GLY A 10 1.584 5.109 -12.490 1.00 0.00 O ATOM 0 H GLY A 10 0.341 1.684 -11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.590 3.025 -13.608 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.933 3.825 -13.273 1.00 0.00 H new ATOM 216 N CYS A 16 1.961 9.345 -0.572 1.00 0.00 N ATOM 217 CA CYS A 16 1.737 8.341 0.459 1.00 0.00 C ATOM 218 C CYS A 16 3.086 7.965 1.096 1.00 0.00 C ATOM 219 O CYS A 16 3.127 7.557 2.257 1.00 0.00 O ATOM 220 CB CYS A 16 0.971 7.172 -0.102 1.00 0.00 C ATOM 221 SG CYS A 16 1.744 6.311 -1.494 1.00 0.00 S ATOM 0 HA CYS A 16 1.111 8.738 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.808 6.452 0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.011 7.525 -0.418 1.00 0.00 H new ATOM 0 HG CYS A 16 0.981 5.329 -1.875 1.00 0.00 H new ATOM 226 N VAL A 17 4.203 8.211 0.393 1.00 0.00 N ATOM 227 CA VAL A 17 5.467 8.519 1.063 1.00 0.00 C ATOM 228 C VAL A 17 5.323 9.834 1.848 1.00 0.00 C ATOM 229 O VAL A 17 4.299 10.509 1.742 1.00 0.00 O ATOM 230 CB VAL A 17 6.641 8.606 0.065 1.00 0.00 C ATOM 231 CG1 VAL A 17 7.004 7.234 -0.507 1.00 0.00 C ATOM 232 CG2 VAL A 17 6.398 9.591 -1.086 1.00 0.00 C ATOM 0 H VAL A 17 4.253 8.202 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 17 5.695 7.706 1.752 1.00 0.00 H new ATOM 0 HB VAL A 17 7.477 8.988 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.835 7.339 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.294 6.567 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.142 6.818 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.265 9.599 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.516 9.284 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.240 10.591 -0.682 1.00 0.00 H new ATOM 242 N GLU A 18 6.337 10.196 2.643 1.00 0.00 N ATOM 243 CA GLU A 18 6.538 11.418 3.408 1.00 0.00 C ATOM 244 C GLU A 18 5.654 11.445 4.655 1.00 0.00 C ATOM 245 O GLU A 18 6.088 11.838 5.737 1.00 0.00 O ATOM 246 CB GLU A 18 6.311 12.648 2.532 1.00 0.00 C ATOM 247 CG GLU A 18 7.271 12.775 1.342 1.00 0.00 C ATOM 248 CD GLU A 18 6.808 13.880 0.399 1.00 0.00 C ATOM 249 OE1 GLU A 18 5.879 13.602 -0.394 1.00 0.00 O ATOM 250 OE2 GLU A 18 7.371 14.990 0.503 1.00 0.00 O ATOM 0 H GLU A 18 7.124 9.561 2.776 1.00 0.00 H new ATOM 0 HA GLU A 18 7.574 11.438 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.288 12.625 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.402 13.540 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.277 12.992 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.322 11.828 0.805 1.00 0.00 H new ATOM 257 N VAL A 19 4.391 11.056 4.495 1.00 0.00 N ATOM 258 CA VAL A 19 3.400 11.062 5.558 1.00 0.00 C ATOM 259 C VAL A 19 3.606 9.876 6.507 1.00 0.00 C ATOM 260 O VAL A 19 3.264 9.957 7.686 1.00 0.00 O ATOM 261 CB VAL A 19 1.975 11.102 4.969 1.00 0.00 C ATOM 262 CG1 VAL A 19 1.819 12.287 4.005 1.00 0.00 C ATOM 263 CG2 VAL A 19 1.577 9.812 4.239 1.00 0.00 C ATOM 0 H VAL A 19 4.025 10.722 3.603 1.00 0.00 H new ATOM 0 HA VAL A 19 3.529 11.966 6.152 1.00 0.00 H new ATOM 0 HB VAL A 19 1.308 11.214 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.807 12.297 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.005 13.218 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.535 12.189 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.563 9.911 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.266 9.634 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.619 8.973 4.934 1.00 0.00 H new ATOM 273 N CYS A 20 4.127 8.757 5.992 1.00 0.00 N ATOM 274 CA CYS A 20 4.212 7.509 6.732 1.00 0.00 C ATOM 275 C CYS A 20 5.329 7.568 7.784 1.00 0.00 C ATOM 276 O CYS A 20 6.484 7.788 7.423 1.00 0.00 O ATOM 277 CB CYS A 20 4.416 6.375 5.759 1.00 0.00 C ATOM 278 SG CYS A 20 4.847 4.759 6.461 1.00 0.00 S ATOM 0 H CYS A 20 4.501 8.699 5.045 1.00 0.00 H new ATOM 0 HA CYS A 20 3.282 7.341 7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.502 6.259 5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.203 6.663 5.062 1.00 0.00 H new ATOM 0 HG CYS A 20 4.387 3.816 5.694 1.00 0.00 H new ATOM 283 N PRO A 21 5.020 7.332 9.076 1.00 0.00 N ATOM 284 CA PRO A 21 5.977 7.307 10.179 1.00 0.00 C ATOM 285 C PRO A 21 7.313 6.622 9.886 1.00 0.00 C ATOM 286 O PRO A 21 8.331 7.010 10.456 1.00 0.00 O ATOM 287 CB PRO A 21 5.251 6.579 11.313 1.00 0.00 C ATOM 288 CG PRO A 21 3.808 7.028 11.116 1.00 0.00 C ATOM 289 CD PRO A 21 3.683 7.075 9.594 1.00 0.00 C ATOM 0 HA PRO A 21 6.267 8.332 10.412 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.355 5.497 11.233 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.636 6.865 12.292 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.101 6.328 11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.620 8.001 11.569 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.292 6.134 9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.991 7.858 9.286 1.00 0.00 H new ATOM 297 N VAL A 22 7.299 5.573 9.061 1.00 0.00 N ATOM 298 CA VAL A 22 8.458 4.736 8.784 1.00 0.00 C ATOM 299 C VAL A 22 8.820 4.754 7.287 1.00 0.00 C ATOM 300 O VAL A 22 9.696 3.996 6.879 1.00 0.00 O ATOM 301 CB VAL A 22 8.169 3.337 9.374 1.00 0.00 C ATOM 302 CG1 VAL A 22 6.982 2.649 8.689 1.00 0.00 C ATOM 303 CG2 VAL A 22 9.384 2.401 9.389 1.00 0.00 C ATOM 0 H VAL A 22 6.461 5.279 8.558 1.00 0.00 H new ATOM 0 HA VAL A 22 9.358 5.119 9.265 1.00 0.00 H new ATOM 0 HB VAL A 22 7.908 3.532 10.414 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.820 1.670 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.087 3.258 8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.195 2.529 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.098 1.440 9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.741 2.252 8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.178 2.845 9.990 1.00 0.00 H new ATOM 313 N ASP A 23 8.170 5.612 6.482 1.00 0.00 N ATOM 314 CA ASP A 23 8.314 5.708 5.024 1.00 0.00 C ATOM 315 C ASP A 23 8.620 4.357 4.362 1.00 0.00 C ATOM 316 O ASP A 23 9.595 4.194 3.631 1.00 0.00 O ATOM 317 CB ASP A 23 9.270 6.850 4.626 1.00 0.00 C ATOM 318 CG ASP A 23 8.560 8.095 4.105 1.00 0.00 C ATOM 319 OD1 ASP A 23 7.722 7.952 3.188 1.00 0.00 O ATOM 320 OD2 ASP A 23 8.896 9.196 4.587 1.00 0.00 O ATOM 0 H ASP A 23 7.500 6.287 6.850 1.00 0.00 H new ATOM 0 HA ASP A 23 7.342 5.984 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.874 7.123 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.955 6.487 3.860 1.00 0.00 H new ATOM 325 N CYS A 24 7.750 3.372 4.601 1.00 0.00 N ATOM 326 CA CYS A 24 7.885 2.027 4.047 1.00 0.00 C ATOM 327 C CYS A 24 6.914 1.833 2.885 1.00 0.00 C ATOM 328 O CYS A 24 6.293 0.778 2.736 1.00 0.00 O ATOM 329 CB CYS A 24 7.729 0.982 5.153 1.00 0.00 C ATOM 330 SG CYS A 24 6.011 0.829 5.710 1.00 0.00 S ATOM 0 H CYS A 24 6.926 3.489 5.190 1.00 0.00 H new ATOM 0 HA CYS A 24 8.886 1.894 3.636 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.079 0.016 4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.361 1.253 5.999 1.00 0.00 H new ATOM 0 HG CYS A 24 5.232 0.685 4.679 1.00 0.00 H new ATOM 336 N ILE A 25 6.796 2.880 2.065 1.00 0.00 N ATOM 337 CA ILE A 25 6.132 2.863 0.778 1.00 0.00 C ATOM 338 C ILE A 25 7.271 2.896 -0.232 1.00 0.00 C ATOM 339 O ILE A 25 7.999 3.884 -0.299 1.00 0.00 O ATOM 340 CB ILE A 25 5.205 4.079 0.604 1.00 0.00 C ATOM 341 CG1 ILE A 25 4.018 4.115 1.583 1.00 0.00 C ATOM 342 CG2 ILE A 25 4.642 4.079 -0.824 1.00 0.00 C ATOM 343 CD1 ILE A 25 4.389 4.513 3.008 1.00 0.00 C ATOM 0 H ILE A 25 7.179 3.796 2.298 1.00 0.00 H new ATOM 0 HA ILE A 25 5.491 1.989 0.659 1.00 0.00 H new ATOM 0 HB ILE A 25 5.818 4.956 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.272 4.815 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.550 3.131 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.984 4.938 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.463 4.138 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.079 3.161 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.494 4.513 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.110 3.800 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.828 5.511 3.004 1.00 0.00 H new ATOM 355 N HIS A 26 7.455 1.810 -0.976 1.00 0.00 N ATOM 356 CA HIS A 26 8.543 1.625 -1.902 1.00 0.00 C ATOM 357 C HIS A 26 7.962 1.282 -3.280 1.00 0.00 C ATOM 358 O HIS A 26 6.758 1.383 -3.487 1.00 0.00 O ATOM 359 CB HIS A 26 9.442 0.549 -1.292 1.00 0.00 C ATOM 360 CG HIS A 26 9.272 -0.809 -1.898 1.00 0.00 C ATOM 361 ND1 HIS A 26 10.091 -1.336 -2.867 1.00 0.00 N ATOM 362 CD2 HIS A 26 8.177 -1.617 -1.768 1.00 0.00 C ATOM 363 CE1 HIS A 26 9.525 -2.480 -3.276 1.00 0.00 C ATOM 364 NE2 HIS A 26 8.358 -2.696 -2.644 1.00 0.00 N ATOM 0 H HIS A 26 6.822 1.011 -0.942 1.00 0.00 H new ATOM 0 HA HIS A 26 9.151 2.515 -2.062 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.482 0.856 -1.402 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.239 0.485 -0.223 1.00 0.00 H new ATOM 0 HD1 HIS A 26 10.963 -0.933 -3.210 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.333 -1.455 -1.114 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.950 -3.142 -4.016 1.00 0.00 H new ATOM 372 N GLU A 27 8.791 0.878 -4.238 1.00 0.00 N ATOM 373 CA GLU A 27 8.447 0.777 -5.629 1.00 0.00 C ATOM 374 C GLU A 27 8.233 -0.671 -6.084 1.00 0.00 C ATOM 375 O GLU A 27 9.122 -1.509 -5.955 1.00 0.00 O ATOM 376 CB GLU A 27 9.548 1.460 -6.443 1.00 0.00 C ATOM 377 CG GLU A 27 10.599 2.278 -5.668 1.00 0.00 C ATOM 378 CD GLU A 27 11.733 1.414 -5.100 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.447 0.610 -4.180 1.00 0.00 O ATOM 380 OE2 GLU A 27 12.863 1.556 -5.613 1.00 0.00 O ATOM 0 H GLU A 27 9.755 0.604 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 27 7.492 1.276 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.072 0.692 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.071 2.123 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.022 3.034 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.109 2.807 -4.851 1.00 0.00 H new ATOM 387 N GLY A 28 7.082 -0.950 -6.699 1.00 0.00 N ATOM 388 CA GLY A 28 6.891 -2.155 -7.488 1.00 0.00 C ATOM 389 C GLY A 28 7.256 -1.856 -8.936 1.00 0.00 C ATOM 390 O GLY A 28 7.729 -0.761 -9.255 1.00 0.00 O ATOM 0 H GLY A 28 6.262 -0.345 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.513 -2.962 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.856 -2.490 -7.421 1.00 0.00 H new ATOM 394 N GLU A 29 6.993 -2.813 -9.824 1.00 0.00 N ATOM 395 CA GLU A 29 7.222 -2.706 -11.245 1.00 0.00 C ATOM 396 C GLU A 29 6.520 -1.455 -11.782 1.00 0.00 C ATOM 397 O GLU A 29 7.148 -0.419 -12.009 1.00 0.00 O ATOM 398 CB GLU A 29 6.728 -4.002 -11.917 1.00 0.00 C ATOM 399 CG GLU A 29 7.309 -5.288 -11.300 1.00 0.00 C ATOM 400 CD GLU A 29 6.364 -5.926 -10.290 1.00 0.00 C ATOM 401 OE1 GLU A 29 6.126 -5.298 -9.237 1.00 0.00 O ATOM 402 OE2 GLU A 29 5.809 -7.006 -10.582 1.00 0.00 O ATOM 0 H GLU A 29 6.600 -3.714 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 29 8.283 -2.595 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.640 -4.040 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.985 -3.971 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.525 -6.003 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.256 -5.058 -10.812 1.00 0.00 H new ATOM 409 N ASP A 30 5.197 -1.534 -11.918 1.00 0.00 N ATOM 410 CA ASP A 30 4.369 -0.464 -12.441 1.00 0.00 C ATOM 411 C ASP A 30 4.185 0.589 -11.354 1.00 0.00 C ATOM 412 O ASP A 30 4.618 1.734 -11.487 1.00 0.00 O ATOM 413 CB ASP A 30 3.030 -1.057 -12.894 1.00 0.00 C ATOM 414 CG ASP A 30 2.033 0.053 -13.152 1.00 0.00 C ATOM 415 OD1 ASP A 30 1.424 0.466 -12.144 1.00 0.00 O ATOM 416 OD2 ASP A 30 1.917 0.474 -14.320 1.00 0.00 O ATOM 0 H ASP A 30 4.665 -2.365 -11.660 1.00 0.00 H new ATOM 0 HA ASP A 30 4.837 0.015 -13.301 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.172 -1.647 -13.799 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.645 -1.733 -12.130 1.00 0.00 H new ATOM 421 N GLN A 31 3.621 0.159 -10.230 1.00 0.00 N ATOM 422 CA GLN A 31 3.161 1.034 -9.159 1.00 0.00 C ATOM 423 C GLN A 31 4.182 1.108 -8.020 1.00 0.00 C ATOM 424 O GLN A 31 5.353 0.745 -8.189 1.00 0.00 O ATOM 425 CB GLN A 31 1.759 0.580 -8.709 1.00 0.00 C ATOM 426 CG GLN A 31 1.658 -0.930 -8.425 1.00 0.00 C ATOM 427 CD GLN A 31 0.383 -1.406 -7.722 1.00 0.00 C ATOM 428 OE1 GLN A 31 -0.440 -0.520 -7.178 1.00 0.00 O flip ATOM 429 NE2 GLN A 31 0.120 -2.605 -7.683 1.00 0.00 N flip ATOM 0 H GLN A 31 3.468 -0.830 -10.035 1.00 0.00 H new ATOM 0 HA GLN A 31 3.073 2.058 -9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.480 1.129 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.036 0.845 -9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.745 -1.463 -9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.513 -1.221 -7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.758 -3.281 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.736 -2.925 -7.230 1.00 0.00 H new ATOM 438 N TYR A 32 3.737 1.585 -6.859 1.00 0.00 N ATOM 439 CA TYR A 32 4.408 1.401 -5.588 1.00 0.00 C ATOM 440 C TYR A 32 3.847 0.178 -4.863 1.00 0.00 C ATOM 441 O TYR A 32 2.754 -0.278 -5.190 1.00 0.00 O ATOM 442 CB TYR A 32 4.182 2.628 -4.706 1.00 0.00 C ATOM 443 CG TYR A 32 4.949 3.908 -4.993 1.00 0.00 C ATOM 444 CD1 TYR A 32 6.086 3.927 -5.824 1.00 0.00 C ATOM 445 CD2 TYR A 32 4.665 5.031 -4.194 1.00 0.00 C ATOM 446 CE1 TYR A 32 6.997 4.994 -5.747 1.00 0.00 C ATOM 447 CE2 TYR A 32 5.586 6.086 -4.100 1.00 0.00 C ATOM 448 CZ TYR A 32 6.784 6.036 -4.829 1.00 0.00 C ATOM 449 OH TYR A 32 7.674 7.059 -4.729 1.00 0.00 O ATOM 0 H TYR A 32 2.875 2.124 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 32 5.472 1.260 -5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.120 2.868 -4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.404 2.337 -3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.258 3.120 -6.521 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.733 5.081 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.862 5.013 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.373 6.935 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 32 7.370 7.692 -4.045 1.00 0.00 H new ATOM 459 N TYR A 33 4.580 -0.311 -3.855 1.00 0.00 N ATOM 460 CA TYR A 33 4.071 -1.198 -2.816 1.00 0.00 C ATOM 461 C TYR A 33 4.341 -0.595 -1.448 1.00 0.00 C ATOM 462 O TYR A 33 5.051 0.399 -1.314 1.00 0.00 O ATOM 463 CB TYR A 33 4.763 -2.563 -2.904 1.00 0.00 C ATOM 464 CG TYR A 33 4.512 -3.304 -4.196 1.00 0.00 C ATOM 465 CD1 TYR A 33 3.253 -3.218 -4.810 1.00 0.00 C ATOM 466 CD2 TYR A 33 5.542 -4.019 -4.824 1.00 0.00 C ATOM 467 CE1 TYR A 33 3.036 -3.771 -6.074 1.00 0.00 C ATOM 468 CE2 TYR A 33 5.308 -4.609 -6.077 1.00 0.00 C ATOM 469 CZ TYR A 33 4.067 -4.465 -6.712 1.00 0.00 C ATOM 470 OH TYR A 33 3.891 -4.920 -7.983 1.00 0.00 O ATOM 0 H TYR A 33 5.570 -0.091 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 33 2.998 -1.324 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.837 -2.422 -2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.427 -3.182 -2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.443 -2.719 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.507 -4.115 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.076 -3.663 -6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.091 -5.179 -6.555 1.00 0.00 H new ATOM 0 HH TYR A 33 4.717 -4.789 -8.495 1.00 0.00 H new ATOM 480 N ILE A 34 3.779 -1.245 -0.433 1.00 0.00 N ATOM 481 CA ILE A 34 4.022 -0.948 0.965 1.00 0.00 C ATOM 482 C ILE A 34 4.631 -2.205 1.545 1.00 0.00 C ATOM 483 O ILE A 34 4.281 -3.296 1.099 1.00 0.00 O ATOM 484 CB ILE A 34 2.710 -0.593 1.684 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.031 0.538 0.896 1.00 0.00 C ATOM 486 CG2 ILE A 34 2.964 -0.202 3.156 1.00 0.00 C ATOM 487 CD1 ILE A 34 0.756 1.060 1.549 1.00 0.00 C ATOM 0 H ILE A 34 3.124 -2.014 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 34 4.682 -0.089 1.086 1.00 0.00 H new ATOM 0 HB ILE A 34 2.051 -1.461 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.734 1.363 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.795 0.180 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.017 0.043 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.430 -1.037 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.625 0.664 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.333 1.856 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.034 0.248 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.988 1.449 2.540 1.00 0.00 H new ATOM 499 N ASP A 35 5.522 -2.053 2.517 1.00 0.00 N ATOM 500 CA ASP A 35 6.199 -3.143 3.179 1.00 0.00 C ATOM 501 C ASP A 35 5.373 -3.505 4.429 1.00 0.00 C ATOM 502 O ASP A 35 5.627 -2.952 5.501 1.00 0.00 O ATOM 503 CB ASP A 35 7.622 -2.690 3.557 1.00 0.00 C ATOM 504 CG ASP A 35 8.506 -2.075 2.469 1.00 0.00 C ATOM 505 OD1 ASP A 35 7.969 -1.611 1.440 1.00 0.00 O ATOM 506 OD2 ASP A 35 9.726 -2.022 2.729 1.00 0.00 O ATOM 0 H ASP A 35 5.796 -1.137 2.872 1.00 0.00 H new ATOM 0 HA ASP A 35 6.286 -4.019 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.535 -1.962 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.148 -3.554 3.963 1.00 0.00 H new ATOM 511 N PRO A 36 4.365 -4.398 4.371 1.00 0.00 N ATOM 512 CA PRO A 36 3.385 -4.494 5.445 1.00 0.00 C ATOM 513 C PRO A 36 3.913 -5.236 6.670 1.00 0.00 C ATOM 514 O PRO A 36 3.183 -5.405 7.646 1.00 0.00 O ATOM 515 CB PRO A 36 2.174 -5.231 4.880 1.00 0.00 C ATOM 516 CG PRO A 36 2.605 -5.731 3.493 1.00 0.00 C ATOM 517 CD PRO A 36 4.104 -5.436 3.390 1.00 0.00 C ATOM 0 HA PRO A 36 3.135 -3.489 5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.885 -6.062 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.311 -4.569 4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.408 -6.797 3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.051 -5.222 2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.694 -6.329 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.370 -5.103 2.387 1.00 0.00 H new ATOM 525 N ASP A 37 5.149 -5.731 6.591 1.00 0.00 N ATOM 526 CA ASP A 37 5.850 -6.333 7.706 1.00 0.00 C ATOM 527 C ASP A 37 6.643 -5.267 8.468 1.00 0.00 C ATOM 528 O ASP A 37 7.012 -5.474 9.621 1.00 0.00 O ATOM 529 CB ASP A 37 6.734 -7.464 7.173 1.00 0.00 C ATOM 530 CG ASP A 37 6.504 -8.736 7.962 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.349 -9.216 7.950 1.00 0.00 O ATOM 532 OD2 ASP A 37 7.483 -9.245 8.541 1.00 0.00 O ATOM 0 H ASP A 37 5.694 -5.720 5.729 1.00 0.00 H new ATOM 0 HA ASP A 37 5.147 -6.762 8.420 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.515 -7.638 6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.783 -7.174 7.237 1.00 0.00 H new ATOM 537 N VAL A 38 6.898 -4.124 7.818 1.00 0.00 N ATOM 538 CA VAL A 38 7.509 -2.953 8.423 1.00 0.00 C ATOM 539 C VAL A 38 6.408 -2.027 8.936 1.00 0.00 C ATOM 540 O VAL A 38 6.480 -1.572 10.075 1.00 0.00 O ATOM 541 CB VAL A 38 8.402 -2.249 7.391 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.818 -0.862 7.887 1.00 0.00 C ATOM 543 CG2 VAL A 38 9.634 -3.102 7.066 1.00 0.00 C ATOM 0 H VAL A 38 6.676 -3.994 6.831 1.00 0.00 H new ATOM 0 HA VAL A 38 8.136 -3.243 9.266 1.00 0.00 H new ATOM 0 HB VAL A 38 7.825 -2.122 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.450 -0.383 7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.929 -0.254 8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.372 -0.960 8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.252 -2.584 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.212 -3.268 7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.315 -4.061 6.658 1.00 0.00 H new ATOM 553 N CYS A 39 5.411 -1.717 8.094 1.00 0.00 N ATOM 554 CA CYS A 39 4.255 -0.929 8.501 1.00 0.00 C ATOM 555 C CYS A 39 3.661 -1.528 9.784 1.00 0.00 C ATOM 556 O CYS A 39 3.565 -2.745 9.932 1.00 0.00 O ATOM 557 CB CYS A 39 3.231 -0.931 7.399 1.00 0.00 C ATOM 558 SG CYS A 39 1.629 -0.171 7.809 1.00 0.00 S ATOM 0 H CYS A 39 5.390 -2.008 7.117 1.00 0.00 H new ATOM 0 HA CYS A 39 4.558 0.100 8.696 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.650 -0.410 6.538 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.055 -1.962 7.093 1.00 0.00 H new ATOM 0 HG CYS A 39 1.204 0.520 6.793 1.00 0.00 H new ATOM 563 N ILE A 40 3.289 -0.662 10.723 1.00 0.00 N ATOM 564 CA ILE A 40 2.927 -1.021 12.086 1.00 0.00 C ATOM 565 C ILE A 40 1.418 -0.881 12.284 1.00 0.00 C ATOM 566 O ILE A 40 0.982 -0.502 13.369 1.00 0.00 O ATOM 567 CB ILE A 40 3.744 -0.196 13.107 1.00 0.00 C ATOM 568 CG1 ILE A 40 3.634 1.336 12.985 1.00 0.00 C ATOM 569 CG2 ILE A 40 5.207 -0.652 13.158 1.00 0.00 C ATOM 570 CD1 ILE A 40 4.542 2.002 11.947 1.00 0.00 C ATOM 0 H ILE A 40 3.230 0.341 10.548 1.00 0.00 H new ATOM 0 HA ILE A 40 3.179 -2.067 12.262 1.00 0.00 H new ATOM 0 HB ILE A 40 3.265 -0.417 14.061 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.600 1.587 12.746 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.851 1.773 13.960 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.751 -0.050 13.886 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.251 -1.701 13.450 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.661 -0.529 12.175 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.374 3.079 11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.584 1.795 12.190 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.315 1.606 10.957 1.00 0.00 H new ATOM 582 N ASP A 41 0.622 -1.174 11.244 1.00 0.00 N ATOM 583 CA ASP A 41 -0.837 -1.022 11.300 1.00 0.00 C ATOM 584 C ASP A 41 -1.259 0.305 11.936 1.00 0.00 C ATOM 585 O ASP A 41 -2.093 0.351 12.839 1.00 0.00 O ATOM 586 CB ASP A 41 -1.486 -2.228 12.002 1.00 0.00 C ATOM 587 CG ASP A 41 -1.598 -3.406 11.068 1.00 0.00 C ATOM 588 OD1 ASP A 41 -2.201 -3.248 9.982 1.00 0.00 O ATOM 589 OD2 ASP A 41 -1.044 -4.479 11.371 1.00 0.00 O ATOM 0 H ASP A 41 0.969 -1.520 10.349 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.202 -0.997 10.273 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.894 -2.507 12.874 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.476 -1.952 12.364 1.00 0.00 H new ATOM 594 N CYS A 42 -0.670 1.396 11.441 1.00 0.00 N ATOM 595 CA CYS A 42 -1.035 2.739 11.856 1.00 0.00 C ATOM 596 C CYS A 42 -2.183 3.252 10.977 1.00 0.00 C ATOM 597 O CYS A 42 -2.708 2.497 10.163 1.00 0.00 O ATOM 598 CB CYS A 42 0.196 3.617 11.884 1.00 0.00 C ATOM 599 SG CYS A 42 0.476 4.770 10.514 1.00 0.00 S ATOM 0 H CYS A 42 0.072 1.366 10.742 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.420 2.751 12.876 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.165 4.199 12.805 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.066 2.964 11.949 1.00 0.00 H new ATOM 0 HG CYS A 42 1.753 4.948 10.351 1.00 0.00 H new ATOM 604 N GLY A 43 -2.582 4.514 11.137 1.00 0.00 N ATOM 605 CA GLY A 43 -3.535 5.162 10.253 1.00 0.00 C ATOM 606 C GLY A 43 -3.062 6.587 9.986 1.00 0.00 C ATOM 607 O GLY A 43 -2.704 7.295 10.926 1.00 0.00 O ATOM 0 H GLY A 43 -2.247 5.114 11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.618 4.610 9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.526 5.171 10.707 1.00 0.00 H new ATOM 611 N ALA A 44 -3.045 6.986 8.713 1.00 0.00 N ATOM 612 CA ALA A 44 -2.685 8.300 8.194 1.00 0.00 C ATOM 613 C ALA A 44 -2.737 8.238 6.665 1.00 0.00 C ATOM 614 O ALA A 44 -3.439 9.011 6.016 1.00 0.00 O ATOM 615 CB ALA A 44 -1.284 8.724 8.664 1.00 0.00 C ATOM 0 H ALA A 44 -3.303 6.346 7.962 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.388 9.043 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.047 9.708 8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.262 8.765 9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.548 8.000 8.313 1.00 0.00 H new ATOM 621 N CYS A 45 -1.970 7.304 6.100 1.00 0.00 N ATOM 622 CA CYS A 45 -1.758 7.138 4.673 1.00 0.00 C ATOM 623 C CYS A 45 -3.081 6.953 3.909 1.00 0.00 C ATOM 624 O CYS A 45 -3.297 7.601 2.879 1.00 0.00 O ATOM 625 CB CYS A 45 -0.738 6.037 4.466 1.00 0.00 C ATOM 626 SG CYS A 45 -1.135 4.419 5.191 1.00 0.00 S ATOM 0 H CYS A 45 -1.460 6.616 6.654 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.345 8.048 4.239 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.592 5.904 3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.214 6.372 4.878 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.176 3.580 4.932 1.00 0.00 H new ATOM 631 N GLU A 46 -4.008 6.149 4.438 1.00 0.00 N ATOM 632 CA GLU A 46 -5.312 5.921 3.829 1.00 0.00 C ATOM 633 C GLU A 46 -6.078 7.224 3.594 1.00 0.00 C ATOM 634 O GLU A 46 -6.846 7.332 2.639 1.00 0.00 O ATOM 635 CB GLU A 46 -6.153 4.929 4.650 1.00 0.00 C ATOM 636 CG GLU A 46 -6.571 5.359 6.070 1.00 0.00 C ATOM 637 CD GLU A 46 -5.539 5.032 7.133 1.00 0.00 C ATOM 638 OE1 GLU A 46 -4.383 5.474 6.969 1.00 0.00 O ATOM 639 OE2 GLU A 46 -5.928 4.354 8.108 1.00 0.00 O ATOM 0 H GLU A 46 -3.869 5.636 5.308 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.125 5.476 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.058 4.707 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.592 3.998 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.758 6.433 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.511 4.871 6.326 1.00 0.00 H new ATOM 646 N ALA A 47 -5.901 8.210 4.480 1.00 0.00 N ATOM 647 CA ALA A 47 -6.660 9.446 4.413 1.00 0.00 C ATOM 648 C ALA A 47 -6.258 10.261 3.185 1.00 0.00 C ATOM 649 O ALA A 47 -7.105 10.918 2.583 1.00 0.00 O ATOM 650 CB ALA A 47 -6.465 10.258 5.695 1.00 0.00 C ATOM 0 H ALA A 47 -5.235 8.168 5.251 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.718 9.199 4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.040 11.182 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.808 9.676 6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.408 10.496 5.818 1.00 0.00 H new ATOM 656 N VAL A 48 -4.967 10.250 2.839 1.00 0.00 N ATOM 657 CA VAL A 48 -4.455 11.032 1.723 1.00 0.00 C ATOM 658 C VAL A 48 -4.555 10.252 0.412 1.00 0.00 C ATOM 659 O VAL A 48 -4.784 10.859 -0.635 1.00 0.00 O ATOM 660 CB VAL A 48 -3.032 11.553 1.997 1.00 0.00 C ATOM 661 CG1 VAL A 48 -3.035 12.523 3.186 1.00 0.00 C ATOM 662 CG2 VAL A 48 -1.994 10.452 2.244 1.00 0.00 C ATOM 0 H VAL A 48 -4.257 9.701 3.324 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.086 11.914 1.615 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.732 12.065 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.021 12.881 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.685 13.369 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.401 12.008 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.020 10.905 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.290 9.861 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.934 9.806 1.368 1.00 0.00 H new ATOM 672 N CYS A 49 -4.376 8.926 0.448 1.00 0.00 N ATOM 673 CA CYS A 49 -4.393 8.128 -0.771 1.00 0.00 C ATOM 674 C CYS A 49 -5.735 8.291 -1.506 1.00 0.00 C ATOM 675 O CYS A 49 -6.789 8.108 -0.888 1.00 0.00 O ATOM 676 CB CYS A 49 -4.156 6.680 -0.450 1.00 0.00 C ATOM 677 SG CYS A 49 -4.119 5.643 -1.921 1.00 0.00 S ATOM 0 H CYS A 49 -4.219 8.392 1.303 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.594 8.481 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.211 6.580 0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.940 6.327 0.220 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.906 5.224 -2.126 1.00 0.00 H new ATOM 682 N PRO A 50 -5.745 8.638 -2.806 1.00 0.00 N ATOM 683 CA PRO A 50 -6.969 8.725 -3.580 1.00 0.00 C ATOM 684 C PRO A 50 -7.825 7.465 -3.418 1.00 0.00 C ATOM 685 O PRO A 50 -7.381 6.355 -3.711 1.00 0.00 O ATOM 686 CB PRO A 50 -6.543 8.940 -5.036 1.00 0.00 C ATOM 687 CG PRO A 50 -5.149 9.557 -4.923 1.00 0.00 C ATOM 688 CD PRO A 50 -4.593 8.971 -3.626 1.00 0.00 C ATOM 0 HA PRO A 50 -7.594 9.549 -3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.521 8.001 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.232 9.602 -5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.526 9.296 -5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.196 10.645 -4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.989 8.086 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.949 9.689 -3.119 1.00 0.00 H new ATOM 696 N VAL A 51 -9.057 7.641 -2.931 1.00 0.00 N ATOM 697 CA VAL A 51 -10.023 6.563 -2.735 1.00 0.00 C ATOM 698 C VAL A 51 -9.490 5.498 -1.757 1.00 0.00 C ATOM 699 O VAL A 51 -10.002 4.379 -1.724 1.00 0.00 O ATOM 700 CB VAL A 51 -10.464 5.971 -4.098 1.00 0.00 C ATOM 701 CG1 VAL A 51 -11.846 5.303 -4.001 1.00 0.00 C ATOM 702 CG2 VAL A 51 -10.558 7.037 -5.204 1.00 0.00 C ATOM 0 H VAL A 51 -9.415 8.556 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.916 6.977 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.695 5.242 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.124 4.899 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.809 4.495 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.586 6.041 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.871 6.567 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.287 7.795 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.583 7.505 -5.342 1.00 0.00 H new ATOM 712 N SER A 52 -8.482 5.835 -0.940 1.00 0.00 N ATOM 713 CA SER A 52 -7.810 4.893 -0.058 1.00 0.00 C ATOM 714 C SER A 52 -7.435 3.624 -0.822 1.00 0.00 C ATOM 715 O SER A 52 -7.768 2.529 -0.382 1.00 0.00 O ATOM 716 CB SER A 52 -8.688 4.604 1.164 1.00 0.00 C ATOM 717 OG SER A 52 -8.043 3.760 2.100 1.00 0.00 O ATOM 0 H SER A 52 -8.112 6.784 -0.879 1.00 0.00 H new ATOM 0 HA SER A 52 -6.880 5.331 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.954 5.544 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.618 4.138 0.839 1.00 0.00 H new ATOM 0 HG SER A 52 -7.483 3.112 1.624 1.00 0.00 H new ATOM 723 N ALA A 53 -6.738 3.750 -1.956 1.00 0.00 N ATOM 724 CA ALA A 53 -6.217 2.579 -2.660 1.00 0.00 C ATOM 725 C ALA A 53 -5.357 1.727 -1.719 1.00 0.00 C ATOM 726 O ALA A 53 -5.306 0.504 -1.840 1.00 0.00 O ATOM 727 CB ALA A 53 -5.430 2.993 -3.906 1.00 0.00 C ATOM 0 H ALA A 53 -6.524 4.643 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.061 1.974 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.054 2.103 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.083 3.545 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.592 3.626 -3.614 1.00 0.00 H new ATOM 733 N ILE A 54 -4.701 2.374 -0.758 1.00 0.00 N ATOM 734 CA ILE A 54 -4.120 1.701 0.385 1.00 0.00 C ATOM 735 C ILE A 54 -5.259 1.119 1.235 1.00 0.00 C ATOM 736 O ILE A 54 -6.049 1.873 1.803 1.00 0.00 O ATOM 737 CB ILE A 54 -3.255 2.699 1.174 1.00 0.00 C ATOM 738 CG1 ILE A 54 -2.141 3.253 0.279 1.00 0.00 C ATOM 739 CG2 ILE A 54 -2.666 2.005 2.402 1.00 0.00 C ATOM 740 CD1 ILE A 54 -1.299 4.329 0.973 1.00 0.00 C ATOM 0 H ILE A 54 -4.561 3.384 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.472 0.881 0.076 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.874 3.533 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.491 2.435 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.583 3.671 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.053 2.712 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.474 1.643 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.050 1.164 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.527 4.683 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.939 5.163 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.831 3.907 1.863 1.00 0.00 H new ATOM 752 N TYR A 55 -5.344 -0.211 1.332 1.00 0.00 N ATOM 753 CA TYR A 55 -6.319 -0.919 2.146 1.00 0.00 C ATOM 754 C TYR A 55 -5.631 -1.966 3.014 1.00 0.00 C ATOM 755 O TYR A 55 -4.544 -2.447 2.702 1.00 0.00 O ATOM 756 CB TYR A 55 -7.372 -1.565 1.249 1.00 0.00 C ATOM 757 CG TYR A 55 -8.381 -0.621 0.619 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.245 0.135 1.434 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.542 -0.589 -0.779 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.216 0.967 0.852 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.514 0.243 -1.362 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.309 1.065 -0.546 1.00 0.00 C ATOM 763 OH TYR A 55 -11.171 1.960 -1.105 1.00 0.00 O ATOM 0 H TYR A 55 -4.715 -0.837 0.829 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.813 -0.207 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.860 -2.103 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.915 -2.306 1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.161 0.075 2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.916 -1.206 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.891 1.531 1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.649 0.250 -2.434 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.679 2.765 -1.372 1.00 0.00 H new ATOM 773 N HIS A 56 -6.262 -2.315 4.133 1.00 0.00 N ATOM 774 CA HIS A 56 -5.696 -3.267 5.069 1.00 0.00 C ATOM 775 C HIS A 56 -5.857 -4.688 4.530 1.00 0.00 C ATOM 776 O HIS A 56 -6.887 -5.006 3.935 1.00 0.00 O ATOM 777 CB HIS A 56 -6.371 -3.081 6.430 1.00 0.00 C ATOM 778 CG HIS A 56 -5.751 -3.950 7.494 1.00 0.00 C ATOM 779 ND1 HIS A 56 -6.229 -5.168 7.921 1.00 0.00 N ATOM 780 CD2 HIS A 56 -4.474 -3.824 7.970 1.00 0.00 C ATOM 781 CE1 HIS A 56 -5.244 -5.773 8.608 1.00 0.00 C ATOM 782 NE2 HIS A 56 -4.145 -5.000 8.654 1.00 0.00 N ATOM 0 H HIS A 56 -7.172 -1.946 4.409 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.627 -3.094 5.193 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.300 -2.035 6.730 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.432 -3.316 6.343 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.161 -5.544 7.748 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.831 -2.966 7.840 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.325 -6.750 9.062 1.00 0.00 H new ATOM 790 N GLU A 57 -4.858 -5.550 4.750 1.00 0.00 N ATOM 791 CA GLU A 57 -4.798 -6.886 4.184 1.00 0.00 C ATOM 792 C GLU A 57 -6.049 -7.734 4.413 1.00 0.00 C ATOM 793 O GLU A 57 -6.355 -8.594 3.594 1.00 0.00 O ATOM 794 CB GLU A 57 -3.520 -7.580 4.666 1.00 0.00 C ATOM 795 CG GLU A 57 -3.217 -7.595 6.157 1.00 0.00 C ATOM 796 CD GLU A 57 -1.756 -7.955 6.402 1.00 0.00 C ATOM 797 OE1 GLU A 57 -1.173 -8.792 5.676 1.00 0.00 O ATOM 798 OE2 GLU A 57 -1.157 -7.340 7.308 1.00 0.00 O ATOM 0 H GLU A 57 -4.056 -5.326 5.340 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.766 -6.775 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.557 -8.615 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.677 -7.108 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.434 -6.618 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.864 -8.315 6.658 1.00 0.00 H new ATOM 805 N ASP A 58 -6.780 -7.489 5.499 1.00 0.00 N ATOM 806 CA ASP A 58 -8.021 -8.178 5.807 1.00 0.00 C ATOM 807 C ASP A 58 -9.138 -7.696 4.882 1.00 0.00 C ATOM 808 O ASP A 58 -9.775 -8.489 4.185 1.00 0.00 O ATOM 809 CB ASP A 58 -8.385 -7.915 7.268 1.00 0.00 C ATOM 810 CG ASP A 58 -9.677 -8.634 7.622 1.00 0.00 C ATOM 811 OD1 ASP A 58 -9.655 -9.881 7.588 1.00 0.00 O ATOM 812 OD2 ASP A 58 -10.658 -7.912 7.899 1.00 0.00 O ATOM 0 H ASP A 58 -6.518 -6.794 6.198 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.893 -9.249 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.580 -8.256 7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.498 -6.844 7.436 1.00 0.00 H new ATOM 817 N PHE A 59 -9.336 -6.374 4.871 1.00 0.00 N ATOM 818 CA PHE A 59 -10.366 -5.649 4.168 1.00 0.00 C ATOM 819 C PHE A 59 -10.203 -5.838 2.669 1.00 0.00 C ATOM 820 O PHE A 59 -11.178 -5.855 1.921 1.00 0.00 O ATOM 821 CB PHE A 59 -10.170 -4.169 4.502 1.00 0.00 C ATOM 822 CG PHE A 59 -10.327 -3.718 5.946 1.00 0.00 C ATOM 823 CD1 PHE A 59 -10.666 -4.615 6.980 1.00 0.00 C ATOM 824 CD2 PHE A 59 -10.101 -2.363 6.254 1.00 0.00 C ATOM 825 CE1 PHE A 59 -10.696 -4.175 8.313 1.00 0.00 C ATOM 826 CE2 PHE A 59 -10.151 -1.919 7.586 1.00 0.00 C ATOM 827 CZ PHE A 59 -10.433 -2.829 8.618 1.00 0.00 C ATOM 0 H PHE A 59 -8.727 -5.748 5.397 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.354 -6.003 4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.170 -3.886 4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -10.876 -3.598 3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.903 -5.642 6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.888 -1.661 5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.922 -4.873 9.106 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.973 -0.879 7.816 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.448 -2.494 9.645 1.00 0.00 H new ATOM 837 N VAL A 60 -8.945 -5.928 2.239 1.00 0.00 N ATOM 838 CA VAL A 60 -8.592 -6.168 0.852 1.00 0.00 C ATOM 839 C VAL A 60 -9.410 -7.337 0.286 1.00 0.00 C ATOM 840 O VAL A 60 -9.418 -8.411 0.890 1.00 0.00 O ATOM 841 CB VAL A 60 -7.082 -6.414 0.786 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.678 -7.272 -0.413 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.467 -5.034 0.632 1.00 0.00 C ATOM 0 H VAL A 60 -8.138 -5.834 2.856 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.831 -5.304 0.231 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.748 -6.950 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.597 -7.415 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.172 -8.241 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.976 -6.772 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.382 -5.123 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.840 -4.569 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.737 -4.417 1.489 1.00 0.00 H new ATOM 853 N PRO A 61 -10.086 -7.158 -0.862 1.00 0.00 N ATOM 854 CA PRO A 61 -10.879 -8.221 -1.453 1.00 0.00 C ATOM 855 C PRO A 61 -9.991 -9.421 -1.771 1.00 0.00 C ATOM 856 O PRO A 61 -8.825 -9.252 -2.115 1.00 0.00 O ATOM 857 CB PRO A 61 -11.511 -7.650 -2.727 1.00 0.00 C ATOM 858 CG PRO A 61 -10.951 -6.235 -2.897 1.00 0.00 C ATOM 859 CD PRO A 61 -10.074 -5.954 -1.675 1.00 0.00 C ATOM 0 HA PRO A 61 -11.654 -8.566 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.268 -8.269 -3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.598 -7.629 -2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.369 -6.158 -3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.758 -5.506 -2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.058 -5.703 -1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.458 -5.104 -1.111 1.00 0.00 H new ATOM 867 N GLU A 62 -10.537 -10.632 -1.684 1.00 0.00 N ATOM 868 CA GLU A 62 -9.910 -11.894 -1.966 1.00 0.00 C ATOM 869 C GLU A 62 -9.115 -11.858 -3.270 1.00 0.00 C ATOM 870 O GLU A 62 -7.968 -12.299 -3.312 1.00 0.00 O ATOM 871 CB GLU A 62 -11.066 -12.892 -1.982 1.00 0.00 C ATOM 872 CG GLU A 62 -11.356 -13.429 -0.571 1.00 0.00 C ATOM 873 CD GLU A 62 -11.695 -12.320 0.414 1.00 0.00 C ATOM 874 OE1 GLU A 62 -12.450 -11.412 0.001 1.00 0.00 O ATOM 875 OE2 GLU A 62 -11.114 -12.328 1.521 1.00 0.00 O ATOM 0 H GLU A 62 -11.506 -10.751 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.162 -12.170 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.959 -12.412 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.825 -13.721 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.185 -14.136 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.488 -13.979 -0.209 1.00 0.00 H new ATOM 882 N GLU A 63 -9.703 -11.279 -4.315 1.00 0.00 N ATOM 883 CA GLU A 63 -9.018 -11.005 -5.571 1.00 0.00 C ATOM 884 C GLU A 63 -7.630 -10.388 -5.322 1.00 0.00 C ATOM 885 O GLU A 63 -6.624 -10.836 -5.873 1.00 0.00 O ATOM 886 CB GLU A 63 -9.910 -10.104 -6.432 1.00 0.00 C ATOM 887 CG GLU A 63 -9.345 -9.937 -7.847 1.00 0.00 C ATOM 888 CD GLU A 63 -10.206 -9.048 -8.728 1.00 0.00 C ATOM 889 OE1 GLU A 63 -11.444 -9.206 -8.666 1.00 0.00 O ATOM 890 OE2 GLU A 63 -9.589 -8.222 -9.437 1.00 0.00 O ATOM 0 H GLU A 63 -10.680 -10.985 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.843 -11.937 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.912 -10.529 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.004 -9.126 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.342 -9.515 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.250 -10.918 -8.313 1.00 0.00 H new ATOM 897 N TRP A 64 -7.576 -9.358 -4.474 1.00 0.00 N ATOM 898 CA TRP A 64 -6.397 -8.544 -4.208 1.00 0.00 C ATOM 899 C TRP A 64 -5.634 -8.988 -2.961 1.00 0.00 C ATOM 900 O TRP A 64 -4.497 -8.563 -2.763 1.00 0.00 O ATOM 901 CB TRP A 64 -6.800 -7.060 -4.268 1.00 0.00 C ATOM 902 CG TRP A 64 -7.364 -6.662 -5.611 1.00 0.00 C ATOM 903 CD1 TRP A 64 -7.172 -7.353 -6.762 1.00 0.00 C ATOM 904 CD2 TRP A 64 -8.304 -5.597 -5.963 1.00 0.00 C ATOM 905 NE1 TRP A 64 -8.009 -6.883 -7.744 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.717 -5.799 -7.314 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.880 -4.500 -5.286 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -9.667 -5.001 -7.948 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.780 -3.637 -5.943 1.00 0.00 C ATOM 910 CH2 TRP A 64 -10.183 -3.900 -7.265 1.00 0.00 C ATOM 0 H TRP A 64 -8.388 -9.060 -3.934 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.649 -8.695 -4.986 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.540 -6.857 -3.494 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.930 -6.442 -4.047 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.463 -8.158 -6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.091 -7.292 -8.675 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.628 -4.320 -4.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.998 -5.231 -8.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -10.163 -2.768 -5.428 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.893 -3.248 -7.752 1.00 0.00 H new ATOM 921 N LYS A 65 -6.160 -9.959 -2.207 1.00 0.00 N ATOM 922 CA LYS A 65 -5.348 -10.727 -1.266 1.00 0.00 C ATOM 923 C LYS A 65 -4.094 -11.265 -1.979 1.00 0.00 C ATOM 924 O LYS A 65 -3.032 -11.376 -1.367 1.00 0.00 O ATOM 925 CB LYS A 65 -6.165 -11.811 -0.551 1.00 0.00 C ATOM 926 CG LYS A 65 -7.127 -11.115 0.422 1.00 0.00 C ATOM 927 CD LYS A 65 -7.717 -12.075 1.460 1.00 0.00 C ATOM 928 CE LYS A 65 -8.171 -11.264 2.677 1.00 0.00 C ATOM 929 NZ LYS A 65 -9.442 -10.537 2.464 1.00 0.00 N ATOM 0 H LYS A 65 -7.143 -10.229 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.007 -10.067 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.720 -12.409 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.506 -12.493 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.599 -10.311 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.938 -10.654 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.559 -12.621 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.974 -12.815 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.284 -11.935 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.392 -10.548 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.637 -9.931 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.366 -9.948 1.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.217 -11.220 2.345 1.00 0.00 H new ATOM 943 N SER A 66 -4.186 -11.527 -3.288 1.00 0.00 N ATOM 944 CA SER A 66 -3.047 -11.787 -4.160 1.00 0.00 C ATOM 945 C SER A 66 -1.964 -10.700 -4.061 1.00 0.00 C ATOM 946 O SER A 66 -0.808 -10.999 -3.762 1.00 0.00 O ATOM 947 CB SER A 66 -3.550 -11.931 -5.602 1.00 0.00 C ATOM 948 OG SER A 66 -4.684 -12.775 -5.629 1.00 0.00 O ATOM 0 H SER A 66 -5.080 -11.564 -3.778 1.00 0.00 H new ATOM 0 HA SER A 66 -2.573 -12.713 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.804 -10.952 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.762 -12.344 -6.233 1.00 0.00 H new ATOM 0 HG SER A 66 -5.495 -12.231 -5.714 1.00 0.00 H new ATOM 954 N TYR A 67 -2.313 -9.432 -4.316 1.00 0.00 N ATOM 955 CA TYR A 67 -1.365 -8.320 -4.234 1.00 0.00 C ATOM 956 C TYR A 67 -0.819 -8.198 -2.832 1.00 0.00 C ATOM 957 O TYR A 67 0.352 -7.876 -2.649 1.00 0.00 O ATOM 958 CB TYR A 67 -2.046 -6.979 -4.528 1.00 0.00 C ATOM 959 CG TYR A 67 -2.374 -6.707 -5.984 1.00 0.00 C ATOM 960 CD1 TYR A 67 -1.379 -6.787 -6.976 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.682 -6.337 -6.344 1.00 0.00 C ATOM 962 CE1 TYR A 67 -1.710 -6.564 -8.325 1.00 0.00 C ATOM 963 CE2 TYR A 67 -4.010 -6.107 -7.688 1.00 0.00 C ATOM 964 CZ TYR A 67 -3.026 -6.223 -8.683 1.00 0.00 C ATOM 965 OH TYR A 67 -3.342 -6.020 -9.991 1.00 0.00 O ATOM 0 H TYR A 67 -3.257 -9.152 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.583 -8.530 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.970 -6.929 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.401 -6.179 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.361 -7.020 -6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.439 -6.229 -5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.951 -6.655 -9.088 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.021 -5.840 -7.958 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.313 -5.919 -10.081 1.00 0.00 H new ATOM 975 N ILE A 68 -1.672 -8.399 -1.833 1.00 0.00 N ATOM 976 CA ILE A 68 -1.219 -8.292 -0.477 1.00 0.00 C ATOM 977 C ILE A 68 -0.136 -9.323 -0.228 1.00 0.00 C ATOM 978 O ILE A 68 0.950 -8.979 0.230 1.00 0.00 O ATOM 979 CB ILE A 68 -2.432 -8.450 0.432 1.00 0.00 C ATOM 980 CG1 ILE A 68 -3.153 -7.112 0.581 1.00 0.00 C ATOM 981 CG2 ILE A 68 -2.103 -9.006 1.818 1.00 0.00 C ATOM 982 CD1 ILE A 68 -3.209 -6.206 -0.663 1.00 0.00 C ATOM 0 H ILE A 68 -2.659 -8.632 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.770 -7.321 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.074 -9.184 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.176 -7.312 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.671 -6.555 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.019 -9.088 2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.647 -9.991 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.408 -8.335 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.748 -5.290 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.196 -5.959 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.724 -6.727 -1.470 1.00 0.00 H new ATOM 994 N GLN A 69 -0.413 -10.577 -0.587 1.00 0.00 N ATOM 995 CA GLN A 69 0.583 -11.622 -0.546 1.00 0.00 C ATOM 996 C GLN A 69 1.810 -11.214 -1.355 1.00 0.00 C ATOM 997 O GLN A 69 2.906 -11.500 -0.896 1.00 0.00 O ATOM 998 CB GLN A 69 -0.013 -12.958 -1.011 1.00 0.00 C ATOM 999 CG GLN A 69 -0.319 -13.881 0.177 1.00 0.00 C ATOM 1000 CD GLN A 69 -1.136 -13.223 1.286 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.722 -13.224 2.441 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -2.290 -12.648 0.965 1.00 0.00 N ATOM 0 H GLN A 69 -1.330 -10.885 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 69 0.910 -11.766 0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.928 -12.773 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.684 -13.453 -1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.859 -14.756 -0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.621 -14.238 0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.614 -12.660 -0.002 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.852 -12.195 1.686 1.00 0.00 H new ATOM 1011 N LYS A 70 1.656 -10.537 -2.498 1.00 0.00 N ATOM 1012 CA LYS A 70 2.775 -10.024 -3.285 1.00 0.00 C ATOM 1013 C LYS A 70 3.639 -9.039 -2.489 1.00 0.00 C ATOM 1014 O LYS A 70 4.843 -9.257 -2.349 1.00 0.00 O ATOM 1015 CB LYS A 70 2.280 -9.393 -4.598 1.00 0.00 C ATOM 1016 CG LYS A 70 3.433 -9.215 -5.594 1.00 0.00 C ATOM 1017 CD LYS A 70 2.957 -8.438 -6.829 1.00 0.00 C ATOM 1018 CE LYS A 70 4.117 -8.285 -7.820 1.00 0.00 C ATOM 1019 NZ LYS A 70 3.765 -7.430 -8.969 1.00 0.00 N ATOM 0 H LYS A 70 0.743 -10.330 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 70 3.410 -10.874 -3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.508 -10.023 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.822 -8.426 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.256 -8.683 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.816 -10.190 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.127 -8.962 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.587 -7.457 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.978 -7.860 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.415 -9.269 -8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.512 -7.492 -9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.863 -7.750 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.671 -6.444 -8.652 1.00 0.00 H new ATOM 1033 N ASN A 71 3.050 -7.953 -1.975 1.00 0.00 N ATOM 1034 CA ASN A 71 3.761 -7.010 -1.121 1.00 0.00 C ATOM 1035 C ASN A 71 4.420 -7.766 0.030 1.00 0.00 C ATOM 1036 O ASN A 71 5.569 -7.509 0.376 1.00 0.00 O ATOM 1037 CB ASN A 71 2.777 -5.967 -0.566 1.00 0.00 C ATOM 1038 CG ASN A 71 2.304 -4.892 -1.548 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.230 -3.712 -1.203 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.934 -5.273 -2.768 1.00 0.00 N ATOM 0 H ASN A 71 2.074 -7.709 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 71 4.528 -6.499 -1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.901 -6.492 -0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.247 -5.472 0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.583 -4.584 -3.433 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.001 -6.254 -3.038 1.00 0.00 H new ATOM 1047 N ARG A 72 3.712 -8.734 0.611 1.00 0.00 N ATOM 1048 CA ARG A 72 4.282 -9.590 1.635 1.00 0.00 C ATOM 1049 C ARG A 72 5.487 -10.366 1.091 1.00 0.00 C ATOM 1050 O ARG A 72 6.520 -10.417 1.748 1.00 0.00 O ATOM 1051 CB ARG A 72 3.196 -10.497 2.249 1.00 0.00 C ATOM 1052 CG ARG A 72 3.197 -10.373 3.778 1.00 0.00 C ATOM 1053 CD ARG A 72 1.906 -10.881 4.462 1.00 0.00 C ATOM 1054 NE ARG A 72 1.289 -9.869 5.360 1.00 0.00 N ATOM 1055 CZ ARG A 72 1.926 -9.262 6.376 1.00 0.00 C ATOM 1056 NH1 ARG A 72 3.178 -9.632 6.648 1.00 0.00 N ATOM 1057 NH2 ARG A 72 1.334 -8.305 7.093 1.00 0.00 N ATOM 0 H ARG A 72 2.739 -8.941 0.384 1.00 0.00 H new ATOM 0 HA ARG A 72 4.663 -8.971 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.218 -10.221 1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.374 -11.533 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.047 -10.929 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.348 -9.327 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.185 -11.168 3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.135 -11.778 5.037 1.00 0.00 H new ATOM 0 HE ARG A 72 0.315 -9.618 5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.628 -10.358 6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.686 -9.189 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.379 -8.021 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.836 -7.858 7.860 1.00 0.00 H new ATOM 1071 N ASP A 73 5.362 -10.970 -0.097 1.00 0.00 N ATOM 1072 CA ASP A 73 6.376 -11.808 -0.722 1.00 0.00 C ATOM 1073 C ASP A 73 7.670 -11.023 -0.864 1.00 0.00 C ATOM 1074 O ASP A 73 8.736 -11.485 -0.460 1.00 0.00 O ATOM 1075 CB ASP A 73 5.880 -12.327 -2.079 1.00 0.00 C ATOM 1076 CG ASP A 73 6.244 -13.786 -2.297 1.00 0.00 C ATOM 1077 OD1 ASP A 73 5.495 -14.626 -1.746 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.256 -14.038 -2.976 1.00 0.00 O ATOM 0 H ASP A 73 4.519 -10.881 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 73 6.569 -12.676 -0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.798 -12.210 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.310 -11.723 -2.878 1.00 0.00 H new ATOM 1083 N PHE A 74 7.525 -9.800 -1.382 1.00 0.00 N ATOM 1084 CA PHE A 74 8.605 -8.842 -1.548 1.00 0.00 C ATOM 1085 C PHE A 74 9.488 -8.744 -0.298 1.00 0.00 C ATOM 1086 O PHE A 74 10.701 -8.586 -0.422 1.00 0.00 O ATOM 1087 CB PHE A 74 8.006 -7.480 -1.933 1.00 0.00 C ATOM 1088 CG PHE A 74 8.070 -7.153 -3.413 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.515 -8.029 -4.364 1.00 0.00 C ATOM 1090 CD2 PHE A 74 8.694 -5.966 -3.838 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.580 -7.713 -5.735 1.00 0.00 C ATOM 1092 CE2 PHE A 74 8.733 -5.638 -5.205 1.00 0.00 C ATOM 1093 CZ PHE A 74 8.170 -6.506 -6.153 1.00 0.00 C ATOM 0 H PHE A 74 6.625 -9.446 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 74 9.261 -9.185 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.964 -7.454 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.528 -6.700 -1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.039 -8.944 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.144 -5.305 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.177 -8.398 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.197 -4.717 -5.526 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.190 -6.248 -7.202 1.00 0.00 H new ATOM 1103 N PHE A 75 8.889 -8.838 0.895 1.00 0.00 N ATOM 1104 CA PHE A 75 9.578 -8.662 2.159 1.00 0.00 C ATOM 1105 C PHE A 75 9.310 -9.814 3.119 1.00 0.00 C ATOM 1106 O PHE A 75 9.141 -9.569 4.314 1.00 0.00 O ATOM 1107 CB PHE A 75 9.065 -7.369 2.785 1.00 0.00 C ATOM 1108 CG PHE A 75 9.184 -6.176 1.874 1.00 0.00 C ATOM 1109 CD1 PHE A 75 10.454 -5.659 1.563 1.00 0.00 C ATOM 1110 CD2 PHE A 75 8.034 -5.650 1.262 1.00 0.00 C ATOM 1111 CE1 PHE A 75 10.565 -4.572 0.687 1.00 0.00 C ATOM 1112 CE2 PHE A 75 8.147 -4.581 0.365 1.00 0.00 C ATOM 1113 CZ PHE A 75 9.411 -4.034 0.098 1.00 0.00 C ATOM 0 H PHE A 75 7.895 -9.042 1.000 1.00 0.00 H new ATOM 0 HA PHE A 75 10.652 -8.629 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.020 -7.500 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 75 9.620 -7.173 3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.340 -6.098 1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.064 -6.070 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.534 -4.150 0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.268 -4.181 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.497 -3.189 -0.569 1.00 0.00 H new