USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 446 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 Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -3.07 K(o=-3.1,f=-7.4!) USER MOD Single : A 16 TYR OH : rot 120:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -3.01! C(o=-4!,f=-3!) USER MOD Single : A 35 MET CE :methyl 172:sc= 0 (180deg=-0.0984) USER MOD Single : A 36 GLN : amide:sc= -0.0107 K(o=-0.011,f=-1.4) USER MOD Single : A 37 GLN : amide:sc= -0.0817 K(o=-0.082,f=-2.5!) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0299 USER MOD Single : A 47 SER OG : rot 180:sc= -0.053 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.105) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0811 USER MOD Single : A 59 ASN : amide:sc= -4.04! C(o=-4!,f=-3.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.541 -4.635 6.025 1.00 0.00 N ATOM 60 CA GLY A 7 -8.339 -4.388 5.249 1.00 0.00 C ATOM 61 C GLY A 7 -7.463 -5.620 5.130 1.00 0.00 C ATOM 62 O GLY A 7 -7.201 -6.304 6.120 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.617 -4.046 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.769 -3.584 5.714 1.00 0.00 H new ATOM 66 N THR A 8 -7.009 -5.906 3.913 1.00 0.00 N ATOM 67 CA THR A 8 -6.160 -7.064 3.667 1.00 0.00 C ATOM 68 C THR A 8 -4.712 -6.775 4.044 1.00 0.00 C ATOM 69 O THR A 8 -4.176 -5.702 3.767 1.00 0.00 O ATOM 70 CB THR A 8 -6.218 -7.499 2.190 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.572 -7.772 1.812 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.361 -8.734 1.956 1.00 0.00 C ATOM 0 H THR A 8 -7.216 -5.351 3.083 1.00 0.00 H new ATOM 0 HA THR A 8 -6.540 -7.873 4.292 1.00 0.00 H new ATOM 0 HB THR A 8 -5.829 -6.685 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.600 -8.046 0.872 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.418 -9.023 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.326 -8.513 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.725 -9.552 2.577 1.00 0.00 H new ATOM 80 N PRO A 9 -4.061 -7.753 4.691 1.00 0.00 N ATOM 81 CA PRO A 9 -2.665 -7.627 5.118 1.00 0.00 C ATOM 82 C PRO A 9 -1.696 -7.627 3.941 1.00 0.00 C ATOM 83 O PRO A 9 -1.737 -8.516 3.090 1.00 0.00 O ATOM 84 CB PRO A 9 -2.447 -8.866 5.990 1.00 0.00 C ATOM 85 CG PRO A 9 -3.443 -9.857 5.494 1.00 0.00 C ATOM 86 CD PRO A 9 -4.638 -9.058 5.054 1.00 0.00 C ATOM 0 HA PRO A 9 -2.481 -6.686 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.429 -9.245 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.604 -8.641 7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.036 -10.438 4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.714 -10.564 6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.143 -9.523 4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.374 -8.964 5.852 1.00 0.00 H new ATOM 94 N TYR A 10 -0.825 -6.625 3.898 1.00 0.00 N ATOM 95 CA TYR A 10 0.154 -6.508 2.823 1.00 0.00 C ATOM 96 C TYR A 10 1.532 -6.160 3.377 1.00 0.00 C ATOM 97 O TYR A 10 1.694 -5.941 4.577 1.00 0.00 O ATOM 98 CB TYR A 10 -0.287 -5.445 1.817 1.00 0.00 C ATOM 99 CG TYR A 10 -1.186 -5.980 0.725 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.489 -6.376 1.002 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.732 -6.091 -0.584 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.313 -6.866 0.008 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.550 -6.578 -1.584 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.840 -6.965 -1.284 1.00 0.00 C ATOM 105 OH TYR A 10 -3.657 -7.452 -2.277 1.00 0.00 O ATOM 0 H TYR A 10 -0.777 -5.882 4.595 1.00 0.00 H new ATOM 0 HA TYR A 10 0.218 -7.472 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.809 -4.649 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.597 -4.999 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.864 -6.299 2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.278 -5.791 -0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.323 -7.170 0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.182 -6.656 -2.596 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.171 -7.455 -3.128 1.00 0.00 H new ATOM 115 N ARG A 11 2.523 -6.111 2.492 1.00 0.00 N ATOM 116 CA ARG A 11 3.888 -5.790 2.891 1.00 0.00 C ATOM 117 C ARG A 11 4.598 -4.990 1.803 1.00 0.00 C ATOM 118 O ARG A 11 4.507 -5.315 0.619 1.00 0.00 O ATOM 119 CB ARG A 11 4.669 -7.071 3.189 1.00 0.00 C ATOM 120 CG ARG A 11 6.170 -6.858 3.297 1.00 0.00 C ATOM 121 CD ARG A 11 6.889 -8.142 3.681 1.00 0.00 C ATOM 122 NE ARG A 11 8.255 -8.179 3.167 1.00 0.00 N ATOM 123 CZ ARG A 11 8.939 -9.302 2.978 1.00 0.00 C ATOM 124 NH1 ARG A 11 8.387 -10.474 3.259 1.00 0.00 N ATOM 125 NH2 ARG A 11 10.179 -9.254 2.506 1.00 0.00 N ATOM 0 H ARG A 11 2.406 -6.289 1.495 1.00 0.00 H new ATOM 0 HA ARG A 11 3.843 -5.182 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.304 -7.501 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.470 -7.799 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.556 -6.494 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.377 -6.088 4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.908 -8.236 4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.334 -8.997 3.296 1.00 0.00 H new ATOM 0 HE ARG A 11 8.709 -7.294 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.434 -10.515 3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.915 -11.334 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.607 -8.354 2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.703 -10.117 2.361 1.00 0.00 H new ATOM 139 N ALA A 12 5.305 -3.942 2.212 1.00 0.00 N ATOM 140 CA ALA A 12 6.032 -3.096 1.273 1.00 0.00 C ATOM 141 C ALA A 12 7.369 -3.722 0.893 1.00 0.00 C ATOM 142 O ALA A 12 8.327 -3.678 1.664 1.00 0.00 O ATOM 143 CB ALA A 12 6.245 -1.711 1.866 1.00 0.00 C ATOM 0 H ALA A 12 5.390 -3.658 3.188 1.00 0.00 H new ATOM 0 HA ALA A 12 5.433 -3.003 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.789 -1.090 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.279 -1.255 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.820 -1.795 2.788 1.00 0.00 H new ATOM 149 N MET A 13 7.426 -4.305 -0.300 1.00 0.00 N ATOM 150 CA MET A 13 8.647 -4.940 -0.783 1.00 0.00 C ATOM 151 C MET A 13 9.770 -3.917 -0.930 1.00 0.00 C ATOM 152 O MET A 13 10.949 -4.271 -0.928 1.00 0.00 O ATOM 153 CB MET A 13 8.393 -5.631 -2.123 1.00 0.00 C ATOM 154 CG MET A 13 7.173 -6.538 -2.117 1.00 0.00 C ATOM 155 SD MET A 13 7.260 -7.828 -3.374 1.00 0.00 S ATOM 156 CE MET A 13 6.603 -6.960 -4.796 1.00 0.00 C ATOM 0 H MET A 13 6.641 -4.351 -0.950 1.00 0.00 H new ATOM 0 HA MET A 13 8.953 -5.687 -0.050 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.268 -4.873 -2.896 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.271 -6.218 -2.392 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.073 -7.000 -1.135 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.278 -5.938 -2.280 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.593 -7.628 -5.657 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.587 -6.628 -4.582 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.229 -6.095 -5.015 1.00 0.00 H new ATOM 166 N TYR A 14 9.396 -2.649 -1.058 1.00 0.00 N ATOM 167 CA TYR A 14 10.371 -1.576 -1.209 1.00 0.00 C ATOM 168 C TYR A 14 9.850 -0.277 -0.603 1.00 0.00 C ATOM 169 O TYR A 14 8.672 0.055 -0.738 1.00 0.00 O ATOM 170 CB TYR A 14 10.703 -1.365 -2.688 1.00 0.00 C ATOM 171 CG TYR A 14 10.714 -2.644 -3.494 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.693 -3.609 -3.289 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.748 -2.886 -4.462 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.707 -4.779 -4.024 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.754 -4.054 -5.201 1.00 0.00 C ATOM 176 CZ TYR A 14 10.736 -4.996 -4.978 1.00 0.00 C ATOM 177 OH TYR A 14 10.746 -6.160 -5.713 1.00 0.00 O ATOM 0 H TYR A 14 8.424 -2.339 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 14 11.277 -1.866 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.975 -0.679 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.679 -0.886 -2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.456 -3.442 -2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.979 -2.149 -4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.474 -5.519 -3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.994 -4.228 -5.949 1.00 0.00 H new ATOM 0 HH TYR A 14 9.994 -6.157 -6.341 1.00 0.00 H new ATOM 187 N GLN A 15 10.736 0.454 0.065 1.00 0.00 N ATOM 188 CA GLN A 15 10.367 1.718 0.692 1.00 0.00 C ATOM 189 C GLN A 15 9.839 2.706 -0.343 1.00 0.00 C ATOM 190 O GLN A 15 10.320 2.749 -1.476 1.00 0.00 O ATOM 191 CB GLN A 15 11.568 2.319 1.423 1.00 0.00 C ATOM 192 CG GLN A 15 11.234 3.574 2.213 1.00 0.00 C ATOM 193 CD GLN A 15 11.382 4.839 1.390 1.00 0.00 C ATOM 194 OE1 GLN A 15 11.518 4.785 0.167 1.00 0.00 O ATOM 195 NE2 GLN A 15 11.356 5.986 2.057 1.00 0.00 N ATOM 0 H GLN A 15 11.715 0.193 0.186 1.00 0.00 H new ATOM 0 HA GLN A 15 9.575 1.519 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.981 1.572 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.345 2.554 0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.211 3.504 2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.886 3.634 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.241 5.984 3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.451 6.869 1.556 1.00 0.00 H new ATOM 204 N TYR A 16 8.849 3.498 0.053 1.00 0.00 N ATOM 205 CA TYR A 16 8.254 4.484 -0.842 1.00 0.00 C ATOM 206 C TYR A 16 8.508 5.901 -0.337 1.00 0.00 C ATOM 207 O TYR A 16 8.787 6.110 0.844 1.00 0.00 O ATOM 208 CB TYR A 16 6.750 4.240 -0.976 1.00 0.00 C ATOM 209 CG TYR A 16 6.071 5.170 -1.956 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.306 5.063 -3.321 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.195 6.154 -1.517 1.00 0.00 C ATOM 212 CE1 TYR A 16 5.688 5.911 -4.220 1.00 0.00 C ATOM 213 CE2 TYR A 16 4.571 7.005 -2.408 1.00 0.00 C ATOM 214 CZ TYR A 16 4.822 6.880 -3.759 1.00 0.00 C ATOM 215 OH TYR A 16 4.203 7.726 -4.651 1.00 0.00 O ATOM 0 H TYR A 16 8.441 3.477 0.988 1.00 0.00 H new ATOM 0 HA TYR A 16 8.721 4.377 -1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.584 3.210 -1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.283 4.353 0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.983 4.304 -3.686 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.998 6.256 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.882 5.815 -5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.891 7.764 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 16 3.231 7.624 -4.578 1.00 0.00 H new ATOM 225 N ARG A 17 8.410 6.870 -1.240 1.00 0.00 N ATOM 226 CA ARG A 17 8.629 8.268 -0.888 1.00 0.00 C ATOM 227 C ARG A 17 7.514 9.150 -1.442 1.00 0.00 C ATOM 228 O ARG A 17 7.603 9.684 -2.548 1.00 0.00 O ATOM 229 CB ARG A 17 9.982 8.744 -1.419 1.00 0.00 C ATOM 230 CG ARG A 17 11.164 8.262 -0.594 1.00 0.00 C ATOM 231 CD ARG A 17 12.380 9.155 -0.788 1.00 0.00 C ATOM 232 NE ARG A 17 13.629 8.441 -0.538 1.00 0.00 N ATOM 233 CZ ARG A 17 14.113 8.211 0.678 1.00 0.00 C ATOM 234 NH1 ARG A 17 13.456 8.635 1.748 1.00 0.00 N ATOM 235 NH2 ARG A 17 15.257 7.554 0.824 1.00 0.00 N ATOM 0 H ARG A 17 8.180 6.713 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 17 8.625 8.347 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.102 8.399 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.989 9.834 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.889 8.243 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.413 7.239 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.384 9.546 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.312 10.011 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 17 14.159 8.100 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.576 9.139 1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.830 8.457 2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.765 7.226 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.628 7.378 1.758 1.00 0.00 H new ATOM 249 N PRO A 18 6.437 9.306 -0.658 1.00 0.00 N ATOM 250 CA PRO A 18 5.284 10.123 -1.049 1.00 0.00 C ATOM 251 C PRO A 18 5.608 11.612 -1.069 1.00 0.00 C ATOM 252 O PRO A 18 5.980 12.189 -0.047 1.00 0.00 O ATOM 253 CB PRO A 18 4.248 9.815 0.034 1.00 0.00 C ATOM 254 CG PRO A 18 5.050 9.399 1.219 1.00 0.00 C ATOM 255 CD PRO A 18 6.263 8.699 0.673 1.00 0.00 C ATOM 0 HA PRO A 18 4.946 9.893 -2.059 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.637 10.689 0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.569 9.023 -0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.335 10.263 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.475 8.736 1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.137 8.858 1.305 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.110 7.622 0.607 1.00 0.00 H new ATOM 263 N GLN A 19 5.465 12.229 -2.237 1.00 0.00 N ATOM 264 CA GLN A 19 5.743 13.653 -2.388 1.00 0.00 C ATOM 265 C GLN A 19 4.809 14.485 -1.516 1.00 0.00 C ATOM 266 O GLN A 19 5.203 15.519 -0.979 1.00 0.00 O ATOM 267 CB GLN A 19 5.600 14.069 -3.853 1.00 0.00 C ATOM 268 CG GLN A 19 4.167 14.028 -4.359 1.00 0.00 C ATOM 269 CD GLN A 19 4.026 14.595 -5.758 1.00 0.00 C ATOM 270 OE1 GLN A 19 3.991 15.812 -5.947 1.00 0.00 O ATOM 271 NE2 GLN A 19 3.944 13.715 -6.749 1.00 0.00 N ATOM 0 H GLN A 19 5.158 11.766 -3.093 1.00 0.00 H new ATOM 0 HA GLN A 19 6.768 13.834 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.991 15.079 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.214 13.413 -4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.812 12.997 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.529 14.590 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.977 12.716 -6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.848 14.038 -7.712 1.00 0.00 H new ATOM 280 N ASN A 20 3.569 14.027 -1.381 1.00 0.00 N ATOM 281 CA ASN A 20 2.577 14.731 -0.575 1.00 0.00 C ATOM 282 C ASN A 20 1.808 13.758 0.313 1.00 0.00 C ATOM 283 O ASN A 20 1.637 12.590 -0.034 1.00 0.00 O ATOM 284 CB ASN A 20 1.605 15.494 -1.477 1.00 0.00 C ATOM 285 CG ASN A 20 1.317 14.757 -2.771 1.00 0.00 C ATOM 286 OD1 ASN A 20 1.005 13.471 -2.662 1.00 0.00 O flip ATOM 287 ND2 ASN A 20 1.373 15.338 -3.855 1.00 0.00 N flip ATOM 0 H ASN A 20 3.227 13.172 -1.819 1.00 0.00 H new ATOM 0 HA ASN A 20 3.102 15.441 0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.671 15.660 -0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.020 16.476 -1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.617 16.328 -3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.175 14.830 -4.717 1.00 0.00 H new ATOM 294 N GLU A 21 1.347 14.249 1.459 1.00 0.00 N ATOM 295 CA GLU A 21 0.597 13.422 2.396 1.00 0.00 C ATOM 296 C GLU A 21 -0.380 12.511 1.658 1.00 0.00 C ATOM 297 O GLU A 21 -0.571 11.354 2.032 1.00 0.00 O ATOM 298 CB GLU A 21 -0.163 14.302 3.392 1.00 0.00 C ATOM 299 CG GLU A 21 0.711 14.855 4.505 1.00 0.00 C ATOM 300 CD GLU A 21 -0.084 15.622 5.544 1.00 0.00 C ATOM 301 OE1 GLU A 21 -0.986 16.391 5.152 1.00 0.00 O ATOM 302 OE2 GLU A 21 0.196 15.452 6.749 1.00 0.00 O ATOM 0 H GLU A 21 1.480 15.214 1.760 1.00 0.00 H new ATOM 0 HA GLU A 21 1.307 12.799 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.621 15.132 2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.974 13.721 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.238 14.034 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.468 15.511 4.075 1.00 0.00 H new ATOM 309 N ASP A 22 -0.995 13.043 0.607 1.00 0.00 N ATOM 310 CA ASP A 22 -1.952 12.279 -0.186 1.00 0.00 C ATOM 311 C ASP A 22 -1.504 10.827 -0.327 1.00 0.00 C ATOM 312 O ASP A 22 -2.269 9.903 -0.050 1.00 0.00 O ATOM 313 CB ASP A 22 -2.120 12.910 -1.568 1.00 0.00 C ATOM 314 CG ASP A 22 -2.419 14.395 -1.494 1.00 0.00 C ATOM 315 OD1 ASP A 22 -1.491 15.173 -1.187 1.00 0.00 O ATOM 316 OD2 ASP A 22 -3.580 14.779 -1.745 1.00 0.00 O ATOM 0 H ASP A 22 -0.848 13.999 0.285 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.911 12.296 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.211 12.754 -2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.928 12.406 -2.099 1.00 0.00 H new ATOM 321 N GLU A 23 -0.262 10.636 -0.760 1.00 0.00 N ATOM 322 CA GLU A 23 0.285 9.296 -0.939 1.00 0.00 C ATOM 323 C GLU A 23 0.804 8.738 0.383 1.00 0.00 C ATOM 324 O GLU A 23 1.428 9.453 1.169 1.00 0.00 O ATOM 325 CB GLU A 23 1.412 9.316 -1.974 1.00 0.00 C ATOM 326 CG GLU A 23 1.034 10.009 -3.272 1.00 0.00 C ATOM 327 CD GLU A 23 2.202 10.125 -4.233 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.276 10.597 -3.805 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.041 9.746 -5.412 1.00 0.00 O ATOM 0 H GLU A 23 0.384 11.391 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.516 8.649 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.280 9.816 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.711 8.291 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.226 9.457 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.651 11.005 -3.050 1.00 0.00 H new ATOM 336 N LEU A 24 0.541 7.459 0.622 1.00 0.00 N ATOM 337 CA LEU A 24 0.980 6.804 1.850 1.00 0.00 C ATOM 338 C LEU A 24 2.439 6.372 1.744 1.00 0.00 C ATOM 339 O LEU A 24 2.875 5.875 0.707 1.00 0.00 O ATOM 340 CB LEU A 24 0.098 5.590 2.147 1.00 0.00 C ATOM 341 CG LEU A 24 0.106 5.093 3.593 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.371 6.187 4.537 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.760 3.849 3.735 1.00 0.00 C ATOM 0 H LEU A 24 0.026 6.854 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 24 0.890 7.520 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.928 5.836 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.412 4.771 1.500 1.00 0.00 H new ATOM 0 HG LEU A 24 1.130 4.831 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.358 5.815 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.289 7.050 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.386 6.481 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.742 3.510 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.785 4.084 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.374 3.061 3.088 1.00 0.00 H new ATOM 355 N GLU A 25 3.187 6.564 2.826 1.00 0.00 N ATOM 356 CA GLU A 25 4.597 6.193 2.855 1.00 0.00 C ATOM 357 C GLU A 25 4.766 4.728 3.248 1.00 0.00 C ATOM 358 O GLU A 25 4.075 4.228 4.136 1.00 0.00 O ATOM 359 CB GLU A 25 5.363 7.086 3.833 1.00 0.00 C ATOM 360 CG GLU A 25 6.871 7.026 3.659 1.00 0.00 C ATOM 361 CD GLU A 25 7.615 7.753 4.763 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.444 8.984 4.881 1.00 0.00 O ATOM 363 OE2 GLU A 25 8.367 7.091 5.508 1.00 0.00 O ATOM 0 H GLU A 25 2.840 6.974 3.693 1.00 0.00 H new ATOM 0 HA GLU A 25 5.003 6.332 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.032 8.117 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.111 6.793 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.189 5.984 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.140 7.462 2.697 1.00 0.00 H new ATOM 370 N LEU A 26 5.690 4.045 2.580 1.00 0.00 N ATOM 371 CA LEU A 26 5.950 2.637 2.858 1.00 0.00 C ATOM 372 C LEU A 26 7.379 2.435 3.353 1.00 0.00 C ATOM 373 O LEU A 26 8.164 3.382 3.417 1.00 0.00 O ATOM 374 CB LEU A 26 5.710 1.796 1.603 1.00 0.00 C ATOM 375 CG LEU A 26 4.307 1.878 0.999 1.00 0.00 C ATOM 376 CD1 LEU A 26 4.288 1.262 -0.391 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.296 1.189 1.904 1.00 0.00 C ATOM 0 H LEU A 26 6.271 4.444 1.843 1.00 0.00 H new ATOM 0 HA LEU A 26 5.264 2.314 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.430 2.100 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.921 0.754 1.842 1.00 0.00 H new ATOM 0 HG LEU A 26 4.030 2.929 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.282 1.329 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.983 1.799 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.586 0.215 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.303 1.257 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.569 0.141 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.290 1.675 2.880 1.00 0.00 H new ATOM 389 N ARG A 27 7.710 1.196 3.700 1.00 0.00 N ATOM 390 CA ARG A 27 9.045 0.870 4.188 1.00 0.00 C ATOM 391 C ARG A 27 9.378 -0.595 3.921 1.00 0.00 C ATOM 392 O ARG A 27 8.581 -1.486 4.215 1.00 0.00 O ATOM 393 CB ARG A 27 9.149 1.163 5.685 1.00 0.00 C ATOM 394 CG ARG A 27 10.461 0.711 6.305 1.00 0.00 C ATOM 395 CD ARG A 27 11.546 1.763 6.141 1.00 0.00 C ATOM 396 NE ARG A 27 12.684 1.519 7.024 1.00 0.00 N ATOM 397 CZ ARG A 27 13.672 2.387 7.207 1.00 0.00 C ATOM 398 NH1 ARG A 27 13.663 3.551 6.572 1.00 0.00 N ATOM 399 NH2 ARG A 27 14.673 2.092 8.027 1.00 0.00 N ATOM 0 H ARG A 27 7.072 0.401 3.652 1.00 0.00 H new ATOM 0 HA ARG A 27 9.763 1.492 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.031 2.235 5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.325 0.671 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.311 0.503 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.783 -0.221 5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.887 1.774 5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.130 2.748 6.350 1.00 0.00 H new ATOM 0 HE ARG A 27 12.722 0.633 7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.896 3.782 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.423 4.216 6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.684 1.198 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.431 2.760 8.167 1.00 0.00 H new ATOM 413 N GLU A 28 10.560 -0.836 3.362 1.00 0.00 N ATOM 414 CA GLU A 28 10.997 -2.192 3.054 1.00 0.00 C ATOM 415 C GLU A 28 10.862 -3.097 4.276 1.00 0.00 C ATOM 416 O GLU A 28 11.652 -3.014 5.214 1.00 0.00 O ATOM 417 CB GLU A 28 12.448 -2.187 2.568 1.00 0.00 C ATOM 418 CG GLU A 28 12.955 -3.557 2.150 1.00 0.00 C ATOM 419 CD GLU A 28 14.467 -3.662 2.209 1.00 0.00 C ATOM 420 OE1 GLU A 28 15.024 -3.603 3.325 1.00 0.00 O ATOM 421 OE2 GLU A 28 15.093 -3.803 1.137 1.00 0.00 O ATOM 0 H GLU A 28 11.232 -0.110 3.113 1.00 0.00 H new ATOM 0 HA GLU A 28 10.358 -2.581 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.537 -1.503 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.087 -1.799 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.516 -4.316 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.619 -3.771 1.135 1.00 0.00 H new ATOM 428 N GLY A 29 9.852 -3.963 4.255 1.00 0.00 N ATOM 429 CA GLY A 29 9.631 -4.870 5.365 1.00 0.00 C ATOM 430 C GLY A 29 8.607 -4.342 6.350 1.00 0.00 C ATOM 431 O GLY A 29 8.726 -4.559 7.556 1.00 0.00 O ATOM 0 H GLY A 29 9.184 -4.052 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.298 -5.834 4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.574 -5.042 5.883 1.00 0.00 H new ATOM 435 N ASP A 30 7.599 -3.646 5.837 1.00 0.00 N ATOM 436 CA ASP A 30 6.550 -3.084 6.680 1.00 0.00 C ATOM 437 C ASP A 30 5.176 -3.579 6.240 1.00 0.00 C ATOM 438 O ASP A 30 4.907 -3.713 5.046 1.00 0.00 O ATOM 439 CB ASP A 30 6.594 -1.556 6.636 1.00 0.00 C ATOM 440 CG ASP A 30 7.515 -0.972 7.689 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.689 -1.395 7.750 1.00 0.00 O ATOM 442 OD2 ASP A 30 7.063 -0.093 8.451 1.00 0.00 O ATOM 0 H ASP A 30 7.486 -3.457 4.841 1.00 0.00 H new ATOM 0 HA ASP A 30 6.725 -3.415 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.925 -1.233 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.588 -1.162 6.779 1.00 0.00 H new ATOM 447 N ARG A 31 4.310 -3.849 7.211 1.00 0.00 N ATOM 448 CA ARG A 31 2.965 -4.331 6.924 1.00 0.00 C ATOM 449 C ARG A 31 2.055 -3.183 6.499 1.00 0.00 C ATOM 450 O ARG A 31 2.188 -2.059 6.984 1.00 0.00 O ATOM 451 CB ARG A 31 2.379 -5.033 8.150 1.00 0.00 C ATOM 452 CG ARG A 31 2.673 -6.523 8.198 1.00 0.00 C ATOM 453 CD ARG A 31 4.135 -6.812 7.892 1.00 0.00 C ATOM 454 NE ARG A 31 5.008 -6.457 9.007 1.00 0.00 N ATOM 455 CZ ARG A 31 6.220 -6.972 9.184 1.00 0.00 C ATOM 456 NH1 ARG A 31 6.699 -7.859 8.323 1.00 0.00 N ATOM 457 NH2 ARG A 31 6.955 -6.598 10.223 1.00 0.00 N ATOM 0 H ARG A 31 4.516 -3.742 8.204 1.00 0.00 H new ATOM 0 HA ARG A 31 3.030 -5.044 6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.775 -4.564 9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.299 -4.884 8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.423 -6.913 9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.040 -7.043 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.255 -7.870 7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.436 -6.256 7.004 1.00 0.00 H new ATOM 0 HE ARG A 31 4.669 -5.777 9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.137 -8.148 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.630 -8.253 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.590 -5.915 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.885 -6.994 10.358 1.00 0.00 H new ATOM 471 N VAL A 32 1.131 -3.472 5.588 1.00 0.00 N ATOM 472 CA VAL A 32 0.198 -2.464 5.098 1.00 0.00 C ATOM 473 C VAL A 32 -1.235 -2.982 5.124 1.00 0.00 C ATOM 474 O VAL A 32 -1.475 -4.182 4.989 1.00 0.00 O ATOM 475 CB VAL A 32 0.548 -2.027 3.663 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.276 -0.814 3.258 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.036 -1.736 3.543 1.00 0.00 C ATOM 0 H VAL A 32 1.009 -4.396 5.174 1.00 0.00 H new ATOM 0 HA VAL A 32 0.282 -1.605 5.763 1.00 0.00 H new ATOM 0 HB VAL A 32 0.305 -2.844 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.015 -0.520 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.336 -1.063 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.068 0.011 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.266 -1.429 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.307 -0.936 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.603 -2.634 3.788 1.00 0.00 H new ATOM 487 N ASP A 33 -2.185 -2.070 5.300 1.00 0.00 N ATOM 488 CA ASP A 33 -3.596 -2.434 5.343 1.00 0.00 C ATOM 489 C ASP A 33 -4.330 -1.910 4.113 1.00 0.00 C ATOM 490 O ASP A 33 -4.794 -0.770 4.093 1.00 0.00 O ATOM 491 CB ASP A 33 -4.248 -1.886 6.613 1.00 0.00 C ATOM 492 CG ASP A 33 -5.406 -2.743 7.085 1.00 0.00 C ATOM 493 OD1 ASP A 33 -5.170 -3.915 7.447 1.00 0.00 O ATOM 494 OD2 ASP A 33 -6.550 -2.241 7.094 1.00 0.00 O ATOM 0 H ASP A 33 -2.003 -1.073 5.415 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.665 -3.522 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.500 -1.823 7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.602 -0.872 6.428 1.00 0.00 H new ATOM 499 N VAL A 34 -4.431 -2.749 3.087 1.00 0.00 N ATOM 500 CA VAL A 34 -5.109 -2.370 1.853 1.00 0.00 C ATOM 501 C VAL A 34 -6.620 -2.519 1.987 1.00 0.00 C ATOM 502 O VAL A 34 -7.113 -3.540 2.466 1.00 0.00 O ATOM 503 CB VAL A 34 -4.624 -3.220 0.663 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.583 -3.091 -0.511 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.215 -2.816 0.258 1.00 0.00 C ATOM 0 H VAL A 34 -4.052 -3.696 3.086 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.866 -1.324 1.667 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.602 -4.265 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.224 -3.698 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.573 -3.435 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.640 -2.048 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.889 -3.427 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.207 -1.765 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.538 -2.966 1.099 1.00 0.00 H new ATOM 515 N MET A 35 -7.350 -1.493 1.562 1.00 0.00 N ATOM 516 CA MET A 35 -8.806 -1.510 1.634 1.00 0.00 C ATOM 517 C MET A 35 -9.419 -1.567 0.238 1.00 0.00 C ATOM 518 O MET A 35 -10.240 -2.435 -0.053 1.00 0.00 O ATOM 519 CB MET A 35 -9.316 -0.274 2.378 1.00 0.00 C ATOM 520 CG MET A 35 -9.156 -0.364 3.887 1.00 0.00 C ATOM 521 SD MET A 35 -9.762 1.106 4.738 1.00 0.00 S ATOM 522 CE MET A 35 -8.590 1.223 6.087 1.00 0.00 C ATOM 0 H MET A 35 -6.957 -0.640 1.164 1.00 0.00 H new ATOM 0 HA MET A 35 -9.107 -2.404 2.180 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.781 0.604 2.016 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.370 -0.126 2.141 1.00 0.00 H new ATOM 0 HG2 MET A 35 -9.693 -1.239 4.254 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.103 -0.511 4.129 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.743 2.160 6.622 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.737 0.387 6.771 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.575 1.193 5.691 1.00 0.00 H new ATOM 532 N GLN A 36 -9.014 -0.636 -0.619 1.00 0.00 N ATOM 533 CA GLN A 36 -9.524 -0.580 -1.984 1.00 0.00 C ATOM 534 C GLN A 36 -8.422 -0.890 -2.991 1.00 0.00 C ATOM 535 O GLN A 36 -7.247 -0.623 -2.739 1.00 0.00 O ATOM 536 CB GLN A 36 -10.122 0.798 -2.272 1.00 0.00 C ATOM 537 CG GLN A 36 -10.402 1.044 -3.745 1.00 0.00 C ATOM 538 CD GLN A 36 -10.589 2.514 -4.067 1.00 0.00 C ATOM 539 OE1 GLN A 36 -10.559 3.364 -3.177 1.00 0.00 O ATOM 540 NE2 GLN A 36 -10.783 2.821 -5.344 1.00 0.00 N ATOM 0 H GLN A 36 -8.334 0.090 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.304 -1.335 -2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.050 0.906 -1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.438 1.565 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.578 0.648 -4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.297 0.495 -4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.800 2.084 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.915 3.794 -5.620 1.00 0.00 H new ATOM 549 N GLN A 37 -8.809 -1.454 -4.130 1.00 0.00 N ATOM 550 CA GLN A 37 -7.852 -1.801 -5.174 1.00 0.00 C ATOM 551 C GLN A 37 -8.205 -1.111 -6.487 1.00 0.00 C ATOM 552 O GLN A 37 -9.327 -1.231 -6.981 1.00 0.00 O ATOM 553 CB GLN A 37 -7.812 -3.317 -5.376 1.00 0.00 C ATOM 554 CG GLN A 37 -7.700 -4.100 -4.078 1.00 0.00 C ATOM 555 CD GLN A 37 -7.257 -5.533 -4.297 1.00 0.00 C ATOM 556 OE1 GLN A 37 -6.600 -5.847 -5.290 1.00 0.00 O ATOM 557 NE2 GLN A 37 -7.615 -6.413 -3.369 1.00 0.00 N ATOM 0 H GLN A 37 -9.778 -1.680 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.867 -1.458 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.714 -3.629 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.966 -3.568 -6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.991 -3.601 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.665 -4.096 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.160 -6.110 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.345 -7.392 -3.464 1.00 0.00 H new ATOM 566 N CYS A 38 -7.242 -0.388 -7.048 1.00 0.00 N ATOM 567 CA CYS A 38 -7.452 0.323 -8.304 1.00 0.00 C ATOM 568 C CYS A 38 -7.200 -0.594 -9.496 1.00 0.00 C ATOM 569 O CYS A 38 -6.434 -1.554 -9.404 1.00 0.00 O ATOM 570 CB CYS A 38 -6.535 1.544 -8.382 1.00 0.00 C ATOM 571 SG CYS A 38 -6.943 2.690 -9.721 1.00 0.00 S ATOM 0 H CYS A 38 -6.308 -0.279 -6.653 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.490 0.654 -8.336 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.580 2.080 -7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.507 1.205 -8.509 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.113 3.691 -9.704 1.00 0.00 H new ATOM 577 N ASP A 39 -7.851 -0.294 -10.615 1.00 0.00 N ATOM 578 CA ASP A 39 -7.698 -1.091 -11.826 1.00 0.00 C ATOM 579 C ASP A 39 -6.391 -0.756 -12.536 1.00 0.00 C ATOM 580 O ASP A 39 -5.784 -1.614 -13.178 1.00 0.00 O ATOM 581 CB ASP A 39 -8.880 -0.857 -12.769 1.00 0.00 C ATOM 582 CG ASP A 39 -8.578 -1.283 -14.192 1.00 0.00 C ATOM 583 OD1 ASP A 39 -8.299 -2.481 -14.405 1.00 0.00 O ATOM 584 OD2 ASP A 39 -8.621 -0.419 -15.092 1.00 0.00 O ATOM 0 H ASP A 39 -8.490 0.496 -10.708 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.675 -2.142 -11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.747 -1.408 -12.404 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.146 0.200 -12.758 1.00 0.00 H new ATOM 589 N ASP A 40 -5.963 0.496 -12.418 1.00 0.00 N ATOM 590 CA ASP A 40 -4.728 0.945 -13.049 1.00 0.00 C ATOM 591 C ASP A 40 -3.538 0.128 -12.556 1.00 0.00 C ATOM 592 O ASP A 40 -2.583 -0.107 -13.295 1.00 0.00 O ATOM 593 CB ASP A 40 -4.496 2.430 -12.766 1.00 0.00 C ATOM 594 CG ASP A 40 -5.524 3.316 -13.441 1.00 0.00 C ATOM 595 OD1 ASP A 40 -6.716 3.218 -13.085 1.00 0.00 O ATOM 596 OD2 ASP A 40 -5.136 4.107 -14.327 1.00 0.00 O ATOM 0 H ASP A 40 -6.454 1.218 -11.891 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.825 0.799 -14.125 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.525 2.600 -11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.499 2.710 -13.107 1.00 0.00 H new ATOM 601 N GLY A 41 -3.601 -0.301 -11.299 1.00 0.00 N ATOM 602 CA GLY A 41 -2.523 -1.086 -10.727 1.00 0.00 C ATOM 603 C GLY A 41 -2.007 -0.502 -9.427 1.00 0.00 C ATOM 604 O GLY A 41 -0.849 -0.708 -9.063 1.00 0.00 O ATOM 0 H GLY A 41 -4.380 -0.119 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.872 -2.103 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.704 -1.149 -11.444 1.00 0.00 H new ATOM 608 N TRP A 42 -2.867 0.228 -8.726 1.00 0.00 N ATOM 609 CA TRP A 42 -2.491 0.845 -7.459 1.00 0.00 C ATOM 610 C TRP A 42 -3.394 0.363 -6.330 1.00 0.00 C ATOM 611 O TRP A 42 -4.502 -0.116 -6.570 1.00 0.00 O ATOM 612 CB TRP A 42 -2.561 2.369 -7.570 1.00 0.00 C ATOM 613 CG TRP A 42 -1.310 2.983 -8.123 1.00 0.00 C ATOM 614 CD1 TRP A 42 -0.674 2.643 -9.283 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.544 4.041 -7.538 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.441 3.427 -9.454 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.543 4.293 -8.398 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.671 4.802 -6.373 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.495 5.272 -8.127 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.275 5.773 -6.105 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.346 6.001 -6.979 1.00 0.00 C ATOM 0 H TRP A 42 -3.829 0.407 -9.013 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.467 0.551 -7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.403 2.641 -8.207 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.758 2.789 -6.584 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.000 1.872 -9.965 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.088 3.373 -10.240 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.494 4.634 -5.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.322 5.450 -8.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.187 6.366 -5.207 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.069 6.768 -6.742 1.00 0.00 H new ATOM 632 N PHE A 43 -2.913 0.492 -5.097 1.00 0.00 N ATOM 633 CA PHE A 43 -3.678 0.069 -3.930 1.00 0.00 C ATOM 634 C PHE A 43 -3.899 1.235 -2.972 1.00 0.00 C ATOM 635 O PHE A 43 -3.019 2.075 -2.786 1.00 0.00 O ATOM 636 CB PHE A 43 -2.956 -1.070 -3.207 1.00 0.00 C ATOM 637 CG PHE A 43 -2.916 -2.350 -3.993 1.00 0.00 C ATOM 638 CD1 PHE A 43 -4.047 -2.810 -4.649 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.749 -3.092 -4.076 1.00 0.00 C ATOM 640 CE1 PHE A 43 -4.013 -3.987 -5.374 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.710 -4.269 -4.799 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.844 -4.718 -5.448 1.00 0.00 C ATOM 0 H PHE A 43 -1.997 0.886 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.650 -0.285 -4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.936 -0.758 -2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.449 -1.254 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.965 -2.243 -4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.860 -2.747 -3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.900 -4.334 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.794 -4.838 -4.857 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.816 -5.639 -6.012 1.00 0.00 H new ATOM 652 N VAL A 44 -5.082 1.280 -2.367 1.00 0.00 N ATOM 653 CA VAL A 44 -5.420 2.343 -1.427 1.00 0.00 C ATOM 654 C VAL A 44 -5.800 1.772 -0.066 1.00 0.00 C ATOM 655 O VAL A 44 -6.733 0.979 0.048 1.00 0.00 O ATOM 656 CB VAL A 44 -6.581 3.207 -1.952 1.00 0.00 C ATOM 657 CG1 VAL A 44 -7.010 4.220 -0.901 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.185 3.904 -3.245 1.00 0.00 C ATOM 0 H VAL A 44 -5.822 0.593 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.532 2.967 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.429 2.555 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.831 4.822 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.337 3.696 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.169 4.869 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.018 4.510 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.322 4.544 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.931 3.158 -3.998 1.00 0.00 H new ATOM 668 N GLY A 45 -5.069 2.183 0.967 1.00 0.00 N ATOM 669 CA GLY A 45 -5.345 1.702 2.308 1.00 0.00 C ATOM 670 C GLY A 45 -4.684 2.551 3.376 1.00 0.00 C ATOM 671 O GLY A 45 -4.533 3.762 3.212 1.00 0.00 O ATOM 0 H GLY A 45 -4.292 2.840 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.423 1.691 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.998 0.673 2.400 1.00 0.00 H new ATOM 675 N VAL A 46 -4.288 1.916 4.474 1.00 0.00 N ATOM 676 CA VAL A 46 -3.639 2.620 5.573 1.00 0.00 C ATOM 677 C VAL A 46 -2.297 1.985 5.917 1.00 0.00 C ATOM 678 O VAL A 46 -2.097 0.786 5.721 1.00 0.00 O ATOM 679 CB VAL A 46 -4.526 2.634 6.833 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.723 3.073 8.047 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.732 3.538 6.625 1.00 0.00 C ATOM 0 H VAL A 46 -4.405 0.914 4.626 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.478 3.645 5.240 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.887 1.621 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.366 3.077 8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.896 2.381 8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.331 4.076 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.348 3.536 7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.394 4.554 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.319 3.173 5.783 1.00 0.00 H new ATOM 691 N SER A 47 -1.379 2.797 6.432 1.00 0.00 N ATOM 692 CA SER A 47 -0.053 2.315 6.800 1.00 0.00 C ATOM 693 C SER A 47 -0.045 1.786 8.232 1.00 0.00 C ATOM 694 O SER A 47 -1.004 1.977 8.980 1.00 0.00 O ATOM 695 CB SER A 47 0.979 3.435 6.653 1.00 0.00 C ATOM 696 OG SER A 47 2.299 2.928 6.747 1.00 0.00 O ATOM 0 H SER A 47 -1.529 3.791 6.604 1.00 0.00 H new ATOM 0 HA SER A 47 0.209 1.498 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.845 3.933 5.693 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.818 4.186 7.427 1.00 0.00 H new ATOM 0 HG SER A 47 2.940 3.663 6.648 1.00 0.00 H new ATOM 702 N ARG A 48 1.044 1.122 8.605 1.00 0.00 N ATOM 703 CA ARG A 48 1.177 0.564 9.945 1.00 0.00 C ATOM 704 C ARG A 48 2.260 1.295 10.733 1.00 0.00 C ATOM 705 O ARG A 48 2.510 0.985 11.898 1.00 0.00 O ATOM 706 CB ARG A 48 1.505 -0.928 9.869 1.00 0.00 C ATOM 707 CG ARG A 48 0.341 -1.784 9.398 1.00 0.00 C ATOM 708 CD ARG A 48 -0.727 -1.913 10.472 1.00 0.00 C ATOM 709 NE ARG A 48 -0.266 -2.701 11.612 1.00 0.00 N ATOM 710 CZ ARG A 48 -1.063 -3.113 12.591 1.00 0.00 C ATOM 711 NH1 ARG A 48 -2.355 -2.814 12.570 1.00 0.00 N ATOM 712 NH2 ARG A 48 -0.568 -3.826 13.595 1.00 0.00 N ATOM 0 H ARG A 48 1.847 0.957 7.998 1.00 0.00 H new ATOM 0 HA ARG A 48 0.226 0.694 10.462 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.348 -1.072 9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.823 -1.272 10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.095 -1.345 8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.704 -2.774 9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.020 -0.920 10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.615 -2.379 10.045 1.00 0.00 H new ATOM 0 HE ARG A 48 0.722 -2.948 11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.739 -2.266 11.800 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.964 -3.132 13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.425 -4.058 13.615 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.181 -4.142 14.347 1.00 0.00 H new ATOM 726 N ARG A 49 2.900 2.266 10.089 1.00 0.00 N ATOM 727 CA ARG A 49 3.957 3.039 10.728 1.00 0.00 C ATOM 728 C ARG A 49 3.479 4.452 11.050 1.00 0.00 C ATOM 729 O ARG A 49 3.726 4.971 12.139 1.00 0.00 O ATOM 730 CB ARG A 49 5.191 3.100 9.826 1.00 0.00 C ATOM 731 CG ARG A 49 6.411 3.703 10.502 1.00 0.00 C ATOM 732 CD ARG A 49 7.122 2.684 11.380 1.00 0.00 C ATOM 733 NE ARG A 49 8.022 3.320 12.338 1.00 0.00 N ATOM 734 CZ ARG A 49 7.603 3.995 13.403 1.00 0.00 C ATOM 735 NH1 ARG A 49 6.305 4.120 13.644 1.00 0.00 N ATOM 736 NH2 ARG A 49 8.483 4.546 14.230 1.00 0.00 N ATOM 0 H ARG A 49 2.704 2.536 9.125 1.00 0.00 H new ATOM 0 HA ARG A 49 4.222 2.542 11.661 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.434 2.092 9.489 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.952 3.685 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.100 4.077 9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.108 4.558 11.107 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.383 2.090 11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.688 1.997 10.752 1.00 0.00 H new ATOM 0 HE ARG A 49 9.027 3.242 12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.626 3.697 13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.986 4.639 14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.482 4.452 14.048 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.160 5.064 15.047 1.00 0.00 H new ATOM 750 N THR A 50 2.793 5.071 10.094 1.00 0.00 N ATOM 751 CA THR A 50 2.281 6.424 10.274 1.00 0.00 C ATOM 752 C THR A 50 0.769 6.419 10.465 1.00 0.00 C ATOM 753 O THR A 50 0.159 7.465 10.684 1.00 0.00 O ATOM 754 CB THR A 50 2.632 7.321 9.073 1.00 0.00 C ATOM 755 OG1 THR A 50 2.097 6.760 7.869 1.00 0.00 O ATOM 756 CG2 THR A 50 4.139 7.481 8.938 1.00 0.00 C ATOM 0 H THR A 50 2.579 4.657 9.187 1.00 0.00 H new ATOM 0 HA THR A 50 2.756 6.825 11.169 1.00 0.00 H new ATOM 0 HB THR A 50 2.192 8.304 9.242 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.323 7.338 7.110 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.362 8.119 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.539 7.936 9.844 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.597 6.503 8.790 1.00 0.00 H new ATOM 764 N GLN A 51 0.170 5.235 10.383 1.00 0.00 N ATOM 765 CA GLN A 51 -1.272 5.095 10.547 1.00 0.00 C ATOM 766 C GLN A 51 -2.017 6.148 9.733 1.00 0.00 C ATOM 767 O GLN A 51 -3.019 6.703 10.185 1.00 0.00 O ATOM 768 CB GLN A 51 -1.652 5.213 12.024 1.00 0.00 C ATOM 769 CG GLN A 51 -1.170 4.045 12.871 1.00 0.00 C ATOM 770 CD GLN A 51 -1.879 3.962 14.208 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.955 3.374 14.318 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.278 4.554 15.234 1.00 0.00 N ATOM 0 H GLN A 51 0.661 4.359 10.204 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.560 4.109 10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.237 6.138 12.425 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.736 5.288 12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.325 3.115 12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.097 4.141 13.038 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.386 5.030 15.097 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.708 4.532 16.159 1.00 0.00 H new ATOM 781 N LYS A 52 -1.521 6.419 8.531 1.00 0.00 N ATOM 782 CA LYS A 52 -2.140 7.405 7.652 1.00 0.00 C ATOM 783 C LYS A 52 -2.943 6.723 6.550 1.00 0.00 C ATOM 784 O LYS A 52 -2.788 5.526 6.304 1.00 0.00 O ATOM 785 CB LYS A 52 -1.071 8.309 7.034 1.00 0.00 C ATOM 786 CG LYS A 52 -0.537 9.361 7.990 1.00 0.00 C ATOM 787 CD LYS A 52 -0.054 10.596 7.247 1.00 0.00 C ATOM 788 CE LYS A 52 0.864 11.444 8.114 1.00 0.00 C ATOM 789 NZ LYS A 52 1.694 12.374 7.299 1.00 0.00 N ATOM 0 H LYS A 52 -0.692 5.970 8.143 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.820 8.012 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.242 7.692 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.489 8.805 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.318 9.642 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.283 8.942 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.474 10.294 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.911 11.191 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.267 12.017 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.515 10.793 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.462 12.758 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.099 11.860 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.101 13.154 6.951 1.00 0.00 H new ATOM 803 N PHE A 53 -3.802 7.491 5.888 1.00 0.00 N ATOM 804 CA PHE A 53 -4.630 6.961 4.811 1.00 0.00 C ATOM 805 C PHE A 53 -4.330 7.671 3.494 1.00 0.00 C ATOM 806 O PHE A 53 -4.401 8.896 3.406 1.00 0.00 O ATOM 807 CB PHE A 53 -6.112 7.110 5.157 1.00 0.00 C ATOM 808 CG PHE A 53 -7.033 6.567 4.102 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.254 7.269 2.928 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.676 5.353 4.283 1.00 0.00 C ATOM 811 CE1 PHE A 53 -8.101 6.772 1.956 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.524 4.850 3.315 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.736 5.560 2.149 1.00 0.00 C ATOM 0 H PHE A 53 -3.943 8.483 6.079 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.396 5.903 4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.310 6.598 6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.335 8.165 5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.758 8.216 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.512 4.793 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.267 7.330 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.020 3.903 3.470 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.397 5.168 1.390 1.00 0.00 H new ATOM 823 N GLY A 54 -3.992 6.891 2.471 1.00 0.00 N ATOM 824 CA GLY A 54 -3.685 7.462 1.173 1.00 0.00 C ATOM 825 C GLY A 54 -3.592 6.411 0.085 1.00 0.00 C ATOM 826 O GLY A 54 -4.125 5.310 0.226 1.00 0.00 O ATOM 0 H GLY A 54 -3.925 5.874 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.454 8.188 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.741 8.004 1.232 1.00 0.00 H new ATOM 830 N THR A 55 -2.913 6.750 -1.007 1.00 0.00 N ATOM 831 CA THR A 55 -2.753 5.828 -2.125 1.00 0.00 C ATOM 832 C THR A 55 -1.280 5.584 -2.430 1.00 0.00 C ATOM 833 O THR A 55 -0.467 6.508 -2.395 1.00 0.00 O ATOM 834 CB THR A 55 -3.448 6.359 -3.393 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.273 5.432 -4.471 1.00 0.00 O ATOM 836 CG2 THR A 55 -2.888 7.717 -3.789 1.00 0.00 C ATOM 0 H THR A 55 -2.465 7.657 -1.141 1.00 0.00 H new ATOM 0 HA THR A 55 -3.220 4.888 -1.830 1.00 0.00 H new ATOM 0 HB THR A 55 -4.511 6.471 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.719 5.775 -5.273 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.394 8.071 -4.687 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.048 8.427 -2.978 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.820 7.627 -3.986 1.00 0.00 H new ATOM 844 N PHE A 56 -0.942 4.334 -2.731 1.00 0.00 N ATOM 845 CA PHE A 56 0.435 3.969 -3.043 1.00 0.00 C ATOM 846 C PHE A 56 0.483 2.949 -4.177 1.00 0.00 C ATOM 847 O PHE A 56 -0.479 2.225 -4.437 1.00 0.00 O ATOM 848 CB PHE A 56 1.128 3.402 -1.802 1.00 0.00 C ATOM 849 CG PHE A 56 0.265 2.460 -1.011 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.642 2.945 -0.083 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.362 1.090 -1.196 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.438 2.081 0.646 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.431 0.222 -0.470 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.331 0.718 0.453 1.00 0.00 C ATOM 0 H PHE A 56 -1.602 3.557 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 56 0.960 4.869 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.035 2.881 -2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.436 4.227 -1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.728 4.010 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.065 0.697 -1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.142 2.472 1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.347 -0.844 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.950 0.041 1.023 1.00 0.00 H new ATOM 864 N PRO A 57 1.630 2.889 -4.870 1.00 0.00 N ATOM 865 CA PRO A 57 1.832 1.962 -5.987 1.00 0.00 C ATOM 866 C PRO A 57 1.920 0.511 -5.528 1.00 0.00 C ATOM 867 O PRO A 57 2.864 0.123 -4.841 1.00 0.00 O ATOM 868 CB PRO A 57 3.166 2.415 -6.587 1.00 0.00 C ATOM 869 CG PRO A 57 3.882 3.078 -5.461 1.00 0.00 C ATOM 870 CD PRO A 57 2.818 3.722 -4.615 1.00 0.00 C ATOM 0 HA PRO A 57 1.001 1.987 -6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.734 1.569 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.013 3.103 -7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.455 2.353 -4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.589 3.821 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.089 3.723 -3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.650 4.760 -4.902 1.00 0.00 H new ATOM 878 N GLY A 58 0.930 -0.288 -5.913 1.00 0.00 N ATOM 879 CA GLY A 58 0.915 -1.688 -5.531 1.00 0.00 C ATOM 880 C GLY A 58 2.176 -2.417 -5.952 1.00 0.00 C ATOM 881 O GLY A 58 2.507 -3.466 -5.401 1.00 0.00 O ATOM 0 H GLY A 58 0.138 0.009 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.798 -1.765 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.050 -2.175 -5.981 1.00 0.00 H new ATOM 885 N ASN A 59 2.880 -1.860 -6.931 1.00 0.00 N ATOM 886 CA ASN A 59 4.111 -2.466 -7.427 1.00 0.00 C ATOM 887 C ASN A 59 5.212 -2.400 -6.373 1.00 0.00 C ATOM 888 O ASN A 59 6.308 -2.925 -6.571 1.00 0.00 O ATOM 889 CB ASN A 59 4.571 -1.762 -8.705 1.00 0.00 C ATOM 890 CG ASN A 59 4.196 -0.293 -8.724 1.00 0.00 C ATOM 891 OD1 ASN A 59 5.018 0.573 -8.424 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.949 -0.005 -9.078 1.00 0.00 N ATOM 0 H ASN A 59 2.620 -0.991 -7.397 1.00 0.00 H new ATOM 0 HA ASN A 59 3.907 -3.513 -7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.652 -1.859 -8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.129 -2.258 -9.569 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.639 0.966 -9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.301 -0.755 -9.319 1.00 0.00 H new ATOM 899 N TYR A 60 4.913 -1.753 -5.252 1.00 0.00 N ATOM 900 CA TYR A 60 5.877 -1.618 -4.167 1.00 0.00 C ATOM 901 C TYR A 60 5.545 -2.568 -3.020 1.00 0.00 C ATOM 902 O TYR A 60 6.422 -2.967 -2.255 1.00 0.00 O ATOM 903 CB TYR A 60 5.904 -0.176 -3.658 1.00 0.00 C ATOM 904 CG TYR A 60 6.747 0.750 -4.505 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.435 0.978 -5.840 1.00 0.00 C ATOM 906 CD2 TYR A 60 7.855 1.396 -3.972 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.202 1.823 -6.619 1.00 0.00 C ATOM 908 CE2 TYR A 60 8.627 2.244 -4.743 1.00 0.00 C ATOM 909 CZ TYR A 60 8.297 2.454 -6.066 1.00 0.00 C ATOM 910 OH TYR A 60 9.064 3.296 -6.837 1.00 0.00 O ATOM 0 H TYR A 60 4.010 -1.314 -5.071 1.00 0.00 H new ATOM 0 HA TYR A 60 6.861 -1.878 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.884 0.207 -3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.284 -0.167 -2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.578 0.486 -6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.118 1.233 -2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.946 1.989 -7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.484 2.740 -4.312 1.00 0.00 H new ATOM 0 HH TYR A 60 9.796 3.660 -6.296 1.00 0.00 H new ATOM 920 N VAL A 61 4.270 -2.927 -2.909 1.00 0.00 N ATOM 921 CA VAL A 61 3.819 -3.831 -1.858 1.00 0.00 C ATOM 922 C VAL A 61 3.413 -5.183 -2.433 1.00 0.00 C ATOM 923 O VAL A 61 3.469 -5.396 -3.644 1.00 0.00 O ATOM 924 CB VAL A 61 2.629 -3.239 -1.080 1.00 0.00 C ATOM 925 CG1 VAL A 61 3.020 -1.920 -0.430 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.430 -3.055 -1.998 1.00 0.00 C ATOM 0 H VAL A 61 3.531 -2.605 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 61 4.658 -3.966 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 61 2.349 -3.937 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.167 -1.516 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.847 -2.086 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.327 -1.212 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.599 -2.636 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.694 -2.377 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.137 -4.020 -2.412 1.00 0.00 H new ATOM 936 N ALA A 62 3.003 -6.094 -1.557 1.00 0.00 N ATOM 937 CA ALA A 62 2.585 -7.426 -1.978 1.00 0.00 C ATOM 938 C ALA A 62 1.640 -8.052 -0.958 1.00 0.00 C ATOM 939 O ALA A 62 1.755 -7.833 0.248 1.00 0.00 O ATOM 940 CB ALA A 62 3.799 -8.317 -2.192 1.00 0.00 C ATOM 0 H ALA A 62 2.951 -5.934 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 62 2.048 -7.330 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.472 -9.308 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.437 -7.884 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.360 -8.398 -1.261 1.00 0.00 H new ATOM 946 N PRO A 63 0.681 -8.850 -1.451 1.00 0.00 N ATOM 947 CA PRO A 63 -0.303 -9.525 -0.599 1.00 0.00 C ATOM 948 C PRO A 63 0.322 -10.631 0.244 1.00 0.00 C ATOM 949 O PRO A 63 0.553 -11.739 -0.240 1.00 0.00 O ATOM 950 CB PRO A 63 -1.297 -10.114 -1.603 1.00 0.00 C ATOM 951 CG PRO A 63 -0.512 -10.282 -2.858 1.00 0.00 C ATOM 952 CD PRO A 63 0.484 -9.157 -2.877 1.00 0.00 C ATOM 0 HA PRO A 63 -0.756 -8.842 0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.695 -11.067 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.148 -9.450 -1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.009 -11.249 -2.877 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.161 -10.243 -3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.417 -9.454 -3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.105 -8.294 -3.425 1.00 0.00 H new ATOM 960 N VAL A 64 0.592 -10.324 1.509 1.00 0.00 N ATOM 961 CA VAL A 64 1.189 -11.294 2.420 1.00 0.00 C ATOM 962 C VAL A 64 0.160 -12.319 2.882 1.00 0.00 C ATOM 963 O VAL A 64 0.513 -13.417 3.314 1.00 0.00 O ATOM 964 CB VAL A 64 1.798 -10.602 3.655 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.861 -9.526 4.181 1.00 0.00 C ATOM 966 CG2 VAL A 64 2.110 -11.625 4.737 1.00 0.00 C ATOM 0 H VAL A 64 0.407 -9.412 1.926 1.00 0.00 H new ATOM 0 HA VAL A 64 1.981 -11.801 1.869 1.00 0.00 H new ATOM 0 HB VAL A 64 2.731 -10.123 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.308 -9.049 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.692 -8.779 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.090 -9.978 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.539 -11.120 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.192 -12.134 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.822 -12.355 4.353 1.00 0.00 H new ATOM 976 N SER A 65 -1.115 -11.955 2.787 1.00 0.00 N ATOM 977 CA SER A 65 -2.196 -12.843 3.198 1.00 0.00 C ATOM 978 C SER A 65 -1.979 -14.252 2.655 1.00 0.00 C ATOM 979 O SER A 65 -2.332 -15.239 3.298 1.00 0.00 O ATOM 980 CB SER A 65 -3.542 -12.299 2.714 1.00 0.00 C ATOM 981 OG SER A 65 -4.614 -12.860 3.452 1.00 0.00 O ATOM 0 H SER A 65 -1.424 -11.051 2.429 1.00 0.00 H new ATOM 0 HA SER A 65 -2.201 -12.890 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.556 -11.214 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.669 -12.523 1.655 1.00 0.00 H new ATOM 0 HG SER A 65 -5.463 -12.495 3.125 1.00 0.00 H new