USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0765) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00249 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0538) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.702 K(o=-0.7,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.705 X(o=-0.71,f=-0.45) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl -124:sc= 0 (180deg=-1.67!) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.45 (180deg=1.26) USER MOD Single : A 27 THR OG1 : rot 131:sc= 1.42 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.00053) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 49 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-2.6!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= -0.0326 (180deg=-0.231) USER MOD Single : A 58 ASN : amide:sc= -0.291 K(o=-0.29,f=-3.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.548 -8.486 4.151 1.00 1.52 N ATOM 2 CA MET A 1 -16.532 -7.559 3.582 1.00 50.35 C ATOM 3 C MET A 1 -17.073 -6.122 3.520 1.00 61.12 C ATOM 4 O MET A 1 -18.262 -5.904 3.278 1.00 70.20 O ATOM 5 CB MET A 1 -16.111 -8.022 2.180 1.00 11.22 C ATOM 6 CG MET A 1 -15.524 -9.427 2.143 1.00 2.14 C ATOM 7 SD MET A 1 -14.134 -9.623 3.271 1.00 43.24 S ATOM 8 CE MET A 1 -13.631 -11.307 2.912 1.00 33.34 C ATOM 0 H1 MET A 1 -17.117 -9.419 4.309 1.00 1.52 H new ATOM 0 H2 MET A 1 -17.895 -8.108 5.055 1.00 1.52 H new ATOM 0 H3 MET A 1 -18.343 -8.580 3.487 1.00 1.52 H new ATOM 0 HA MET A 1 -15.661 -7.571 4.237 1.00 50.35 H new ATOM 0 HB2 MET A 1 -16.978 -7.984 1.520 1.00 11.22 H new ATOM 0 HB3 MET A 1 -15.377 -7.322 1.782 1.00 11.22 H new ATOM 0 HG2 MET A 1 -16.300 -10.148 2.399 1.00 2.14 H new ATOM 0 HG3 MET A 1 -15.199 -9.655 1.128 1.00 2.14 H new ATOM 0 HE1 MET A 1 -12.777 -11.573 3.536 1.00 33.34 H new ATOM 0 HE2 MET A 1 -14.458 -11.986 3.120 1.00 33.34 H new ATOM 0 HE3 MET A 1 -13.352 -11.387 1.861 1.00 33.34 H new ATOM 20 N SER A 2 -16.198 -5.145 3.751 1.00 24.42 N ATOM 21 CA SER A 2 -16.593 -3.719 3.765 1.00 3.33 C ATOM 22 C SER A 2 -15.402 -2.802 3.453 1.00 50.31 C ATOM 23 O SER A 2 -15.580 -1.657 3.035 1.00 43.14 O ATOM 24 CB SER A 2 -17.177 -3.329 5.132 1.00 61.33 C ATOM 25 OG SER A 2 -18.348 -4.070 5.438 1.00 42.23 O ATOM 0 H SER A 2 -15.207 -5.305 3.932 1.00 24.42 H new ATOM 0 HA SER A 2 -17.350 -3.590 2.992 1.00 3.33 H new ATOM 0 HB2 SER A 2 -16.429 -3.496 5.907 1.00 61.33 H new ATOM 0 HB3 SER A 2 -17.410 -2.264 5.137 1.00 61.33 H new ATOM 0 HG SER A 2 -18.689 -3.796 6.315 1.00 42.23 H new ATOM 31 N GLU A 3 -14.196 -3.316 3.686 1.00 41.02 N ATOM 32 CA GLU A 3 -12.943 -2.589 3.435 1.00 11.21 C ATOM 33 C GLU A 3 -12.909 -1.898 2.056 1.00 3.41 C ATOM 34 O GLU A 3 -12.501 -0.745 1.959 1.00 1.22 O ATOM 35 CB GLU A 3 -11.743 -3.549 3.582 1.00 35.54 C ATOM 36 CG GLU A 3 -11.705 -4.704 2.573 1.00 21.33 C ATOM 37 CD GLU A 3 -12.972 -5.551 2.585 1.00 33.21 C ATOM 38 OE1 GLU A 3 -13.268 -6.170 3.632 1.00 52.34 O ATOM 39 OE2 GLU A 3 -13.696 -5.563 1.567 1.00 51.41 O ATOM 0 H GLU A 3 -14.055 -4.256 4.057 1.00 41.02 H new ATOM 0 HA GLU A 3 -12.880 -1.796 4.180 1.00 11.21 H new ATOM 0 HB2 GLU A 3 -10.823 -2.973 3.486 1.00 35.54 H new ATOM 0 HB3 GLU A 3 -11.753 -3.967 4.589 1.00 35.54 H new ATOM 0 HG2 GLU A 3 -11.555 -4.299 1.572 1.00 21.33 H new ATOM 0 HG3 GLU A 3 -10.848 -5.341 2.791 1.00 21.33 H new ATOM 46 N SER A 4 -13.319 -2.618 1.003 1.00 2.30 N ATOM 47 CA SER A 4 -13.418 -2.068 -0.369 1.00 72.41 C ATOM 48 C SER A 4 -12.168 -1.273 -0.803 1.00 20.03 C ATOM 49 O SER A 4 -11.316 -1.792 -1.531 1.00 43.14 O ATOM 50 CB SER A 4 -14.666 -1.191 -0.516 1.00 21.51 C ATOM 51 OG SER A 4 -14.768 -0.664 -1.832 1.00 1.14 O ATOM 0 H SER A 4 -13.593 -3.598 1.071 1.00 2.30 H new ATOM 0 HA SER A 4 -13.493 -2.931 -1.031 1.00 72.41 H new ATOM 0 HB2 SER A 4 -15.556 -1.777 -0.286 1.00 21.51 H new ATOM 0 HB3 SER A 4 -14.627 -0.374 0.204 1.00 21.51 H new ATOM 0 HG SER A 4 -15.573 -0.109 -1.901 1.00 1.14 H new ATOM 57 N ILE A 5 -12.061 -0.013 -0.356 1.00 50.32 N ATOM 58 CA ILE A 5 -10.917 0.847 -0.697 1.00 43.11 C ATOM 59 C ILE A 5 -9.580 0.173 -0.334 1.00 33.30 C ATOM 60 O ILE A 5 -8.590 0.306 -1.052 1.00 53.13 O ATOM 61 CB ILE A 5 -11.021 2.231 0.009 1.00 53.30 C ATOM 62 CG1 ILE A 5 -9.847 3.151 -0.386 1.00 15.11 C ATOM 63 CG2 ILE A 5 -11.091 2.071 1.528 1.00 73.25 C ATOM 64 CD1 ILE A 5 -9.811 3.511 -1.858 1.00 73.00 C ATOM 0 H ILE A 5 -12.754 0.434 0.244 1.00 50.32 H new ATOM 0 HA ILE A 5 -10.944 1.003 -1.775 1.00 43.11 H new ATOM 0 HB ILE A 5 -11.946 2.701 -0.327 1.00 53.30 H new ATOM 0 HG12 ILE A 5 -9.905 4.068 0.200 1.00 15.11 H new ATOM 0 HG13 ILE A 5 -8.910 2.661 -0.120 1.00 15.11 H new ATOM 0 HG21 ILE A 5 -11.163 3.054 1.994 1.00 73.25 H new ATOM 0 HG22 ILE A 5 -11.968 1.479 1.791 1.00 73.25 H new ATOM 0 HG23 ILE A 5 -10.192 1.566 1.882 1.00 73.25 H new ATOM 0 HD11 ILE A 5 -8.957 4.159 -2.053 1.00 73.00 H new ATOM 0 HD12 ILE A 5 -9.720 2.602 -2.453 1.00 73.00 H new ATOM 0 HD13 ILE A 5 -10.730 4.031 -2.128 1.00 73.00 H new ATOM 76 N VAL A 6 -9.569 -0.573 0.773 1.00 64.31 N ATOM 77 CA VAL A 6 -8.377 -1.318 1.188 1.00 53.45 C ATOM 78 C VAL A 6 -8.012 -2.398 0.152 1.00 51.22 C ATOM 79 O VAL A 6 -6.840 -2.582 -0.180 1.00 4.33 O ATOM 80 CB VAL A 6 -8.583 -1.979 2.575 1.00 21.32 C ATOM 81 CG1 VAL A 6 -7.324 -2.721 3.026 1.00 73.11 C ATOM 82 CG2 VAL A 6 -9.009 -0.936 3.611 1.00 22.52 C ATOM 0 H VAL A 6 -10.369 -0.678 1.397 1.00 64.31 H new ATOM 0 HA VAL A 6 -7.558 -0.603 1.258 1.00 53.45 H new ATOM 0 HB VAL A 6 -9.383 -2.714 2.484 1.00 21.32 H new ATOM 0 HG11 VAL A 6 -7.499 -3.174 4.002 1.00 73.11 H new ATOM 0 HG12 VAL A 6 -7.082 -3.499 2.303 1.00 73.11 H new ATOM 0 HG13 VAL A 6 -6.493 -2.019 3.096 1.00 73.11 H new ATOM 0 HG21 VAL A 6 -9.149 -1.419 4.578 1.00 22.52 H new ATOM 0 HG22 VAL A 6 -8.237 -0.171 3.696 1.00 22.52 H new ATOM 0 HG23 VAL A 6 -9.945 -0.474 3.298 1.00 22.52 H new ATOM 92 N THR A 7 -9.023 -3.099 -0.363 1.00 64.20 N ATOM 93 CA THR A 7 -8.820 -4.090 -1.431 1.00 34.23 C ATOM 94 C THR A 7 -8.245 -3.422 -2.690 1.00 35.41 C ATOM 95 O THR A 7 -7.351 -3.964 -3.345 1.00 53.24 O ATOM 96 CB THR A 7 -10.140 -4.819 -1.791 1.00 73.23 C ATOM 97 OG1 THR A 7 -10.661 -5.489 -0.632 1.00 31.51 O ATOM 98 CG2 THR A 7 -9.932 -5.833 -2.914 1.00 11.41 C ATOM 0 H THR A 7 -9.992 -3.002 -0.061 1.00 64.20 H new ATOM 0 HA THR A 7 -8.110 -4.827 -1.055 1.00 34.23 H new ATOM 0 HB THR A 7 -10.851 -4.068 -2.136 1.00 73.23 H new ATOM 0 HG1 THR A 7 -11.496 -5.946 -0.866 1.00 31.51 H new ATOM 0 HG21 THR A 7 -10.878 -6.325 -3.140 1.00 11.41 H new ATOM 0 HG22 THR A 7 -9.568 -5.320 -3.804 1.00 11.41 H new ATOM 0 HG23 THR A 7 -9.201 -6.579 -2.600 1.00 11.41 H new ATOM 106 N LYS A 8 -8.761 -2.233 -3.015 1.00 2.25 N ATOM 107 CA LYS A 8 -8.218 -1.421 -4.111 1.00 34.05 C ATOM 108 C LYS A 8 -6.726 -1.133 -3.873 1.00 31.24 C ATOM 109 O LYS A 8 -5.904 -1.284 -4.774 1.00 53.40 O ATOM 110 CB LYS A 8 -8.996 -0.102 -4.232 1.00 2.35 C ATOM 111 CG LYS A 8 -8.487 0.827 -5.335 1.00 12.43 C ATOM 112 CD LYS A 8 -9.206 2.171 -5.313 1.00 11.51 C ATOM 113 CE LYS A 8 -8.678 3.125 -6.380 1.00 24.34 C ATOM 114 NZ LYS A 8 -8.951 2.633 -7.755 1.00 35.41 N ATOM 0 H LYS A 8 -9.555 -1.810 -2.535 1.00 2.25 H new ATOM 0 HA LYS A 8 -8.324 -1.979 -5.042 1.00 34.05 H new ATOM 0 HB2 LYS A 8 -10.046 -0.328 -4.419 1.00 2.35 H new ATOM 0 HB3 LYS A 8 -8.948 0.424 -3.279 1.00 2.35 H new ATOM 0 HG2 LYS A 8 -7.415 0.985 -5.213 1.00 12.43 H new ATOM 0 HG3 LYS A 8 -8.631 0.353 -6.306 1.00 12.43 H new ATOM 0 HD2 LYS A 8 -10.273 2.012 -5.466 1.00 11.51 H new ATOM 0 HD3 LYS A 8 -9.089 2.627 -4.330 1.00 11.51 H new ATOM 0 HE2 LYS A 8 -9.137 4.105 -6.248 1.00 24.34 H new ATOM 0 HE3 LYS A 8 -7.604 3.256 -6.249 1.00 24.34 H new ATOM 0 HZ1 LYS A 8 -8.667 3.357 -8.446 1.00 35.41 H new ATOM 0 HZ2 LYS A 8 -8.410 1.761 -7.926 1.00 35.41 H new ATOM 0 HZ3 LYS A 8 -9.967 2.436 -7.858 1.00 35.41 H new ATOM 128 N ILE A 9 -6.392 -0.730 -2.645 1.00 63.41 N ATOM 129 CA ILE A 9 -4.999 -0.494 -2.242 1.00 44.52 C ATOM 130 C ILE A 9 -4.125 -1.741 -2.475 1.00 25.01 C ATOM 131 O ILE A 9 -3.049 -1.654 -3.067 1.00 21.41 O ATOM 132 CB ILE A 9 -4.914 -0.070 -0.749 1.00 64.31 C ATOM 133 CG1 ILE A 9 -5.619 1.283 -0.536 1.00 31.34 C ATOM 134 CG2 ILE A 9 -3.460 -0.005 -0.279 1.00 43.44 C ATOM 135 CD1 ILE A 9 -5.614 1.762 0.901 1.00 21.42 C ATOM 0 H ILE A 9 -7.072 -0.558 -1.905 1.00 63.41 H new ATOM 0 HA ILE A 9 -4.620 0.317 -2.864 1.00 44.52 H new ATOM 0 HB ILE A 9 -5.424 -0.824 -0.150 1.00 64.31 H new ATOM 0 HG12 ILE A 9 -5.136 2.035 -1.160 1.00 31.34 H new ATOM 0 HG13 ILE A 9 -6.651 1.201 -0.877 1.00 31.34 H new ATOM 0 HG21 ILE A 9 -3.429 0.294 0.769 1.00 43.44 H new ATOM 0 HG22 ILE A 9 -2.997 -0.986 -0.390 1.00 43.44 H new ATOM 0 HG23 ILE A 9 -2.916 0.723 -0.880 1.00 43.44 H new ATOM 0 HD11 ILE A 9 -6.129 2.720 0.967 1.00 21.42 H new ATOM 0 HD12 ILE A 9 -6.124 1.032 1.530 1.00 21.42 H new ATOM 0 HD13 ILE A 9 -4.585 1.879 1.242 1.00 21.42 H new ATOM 147 N ILE A 10 -4.601 -2.901 -2.015 1.00 33.34 N ATOM 148 CA ILE A 10 -3.889 -4.172 -2.220 1.00 42.22 C ATOM 149 C ILE A 10 -3.653 -4.440 -3.717 1.00 72.41 C ATOM 150 O ILE A 10 -2.552 -4.818 -4.130 1.00 21.31 O ATOM 151 CB ILE A 10 -4.669 -5.362 -1.598 1.00 65.23 C ATOM 152 CG1 ILE A 10 -4.861 -5.143 -0.085 1.00 3.03 C ATOM 153 CG2 ILE A 10 -3.946 -6.686 -1.868 1.00 2.43 C ATOM 154 CD1 ILE A 10 -5.656 -6.235 0.603 1.00 4.04 C ATOM 0 H ILE A 10 -5.476 -2.990 -1.498 1.00 33.34 H new ATOM 0 HA ILE A 10 -2.925 -4.083 -1.719 1.00 42.22 H new ATOM 0 HB ILE A 10 -5.652 -5.414 -2.067 1.00 65.23 H new ATOM 0 HG12 ILE A 10 -3.882 -5.069 0.388 1.00 3.03 H new ATOM 0 HG13 ILE A 10 -5.364 -4.189 0.072 1.00 3.03 H new ATOM 0 HG21 ILE A 10 -4.510 -7.506 -1.423 1.00 2.43 H new ATOM 0 HG22 ILE A 10 -3.864 -6.843 -2.944 1.00 2.43 H new ATOM 0 HG23 ILE A 10 -2.949 -6.652 -1.429 1.00 2.43 H new ATOM 0 HD11 ILE A 10 -5.746 -6.006 1.665 1.00 4.04 H new ATOM 0 HD12 ILE A 10 -6.650 -6.296 0.160 1.00 4.04 H new ATOM 0 HD13 ILE A 10 -5.145 -7.190 0.480 1.00 4.04 H new ATOM 166 N SER A 11 -4.694 -4.228 -4.524 1.00 71.11 N ATOM 167 CA SER A 11 -4.595 -4.359 -5.987 1.00 5.12 C ATOM 168 C SER A 11 -3.508 -3.435 -6.551 1.00 21.14 C ATOM 169 O SER A 11 -2.688 -3.851 -7.371 1.00 60.41 O ATOM 170 CB SER A 11 -5.944 -4.035 -6.644 1.00 3.32 C ATOM 171 OG SER A 11 -5.872 -4.071 -8.071 1.00 35.24 O ATOM 0 H SER A 11 -5.621 -3.963 -4.192 1.00 71.11 H new ATOM 0 HA SER A 11 -4.324 -5.390 -6.213 1.00 5.12 H new ATOM 0 HB2 SER A 11 -6.694 -4.748 -6.302 1.00 3.32 H new ATOM 0 HB3 SER A 11 -6.274 -3.047 -6.323 1.00 3.32 H new ATOM 0 HG SER A 11 -6.752 -3.861 -8.448 1.00 35.24 H new ATOM 177 N ILE A 12 -3.505 -2.182 -6.095 1.00 11.45 N ATOM 178 CA ILE A 12 -2.487 -1.202 -6.491 1.00 41.10 C ATOM 179 C ILE A 12 -1.077 -1.685 -6.110 1.00 22.11 C ATOM 180 O ILE A 12 -0.146 -1.609 -6.911 1.00 12.02 O ATOM 181 CB ILE A 12 -2.759 0.177 -5.832 1.00 22.35 C ATOM 182 CG1 ILE A 12 -4.120 0.734 -6.293 1.00 2.45 C ATOM 183 CG2 ILE A 12 -1.631 1.164 -6.149 1.00 1.24 C ATOM 184 CD1 ILE A 12 -4.568 1.965 -5.531 1.00 12.02 C ATOM 0 H ILE A 12 -4.202 -1.817 -5.445 1.00 11.45 H new ATOM 0 HA ILE A 12 -2.542 -1.095 -7.574 1.00 41.10 H new ATOM 0 HB ILE A 12 -2.792 0.041 -4.751 1.00 22.35 H new ATOM 0 HG12 ILE A 12 -4.062 0.976 -7.354 1.00 2.45 H new ATOM 0 HG13 ILE A 12 -4.876 -0.044 -6.184 1.00 2.45 H new ATOM 0 HG21 ILE A 12 -1.843 2.123 -5.677 1.00 1.24 H new ATOM 0 HG22 ILE A 12 -0.688 0.773 -5.768 1.00 1.24 H new ATOM 0 HG23 ILE A 12 -1.558 1.299 -7.228 1.00 1.24 H new ATOM 0 HD11 ILE A 12 -5.533 2.298 -5.912 1.00 12.02 H new ATOM 0 HD12 ILE A 12 -4.660 1.724 -4.472 1.00 12.02 H new ATOM 0 HD13 ILE A 12 -3.833 2.760 -5.660 1.00 12.02 H new ATOM 196 N VAL A 13 -0.934 -2.196 -4.888 1.00 55.51 N ATOM 197 CA VAL A 13 0.349 -2.726 -4.412 1.00 15.03 C ATOM 198 C VAL A 13 0.866 -3.857 -5.321 1.00 64.13 C ATOM 199 O VAL A 13 2.023 -3.845 -5.747 1.00 63.02 O ATOM 200 CB VAL A 13 0.246 -3.241 -2.950 1.00 72.52 C ATOM 201 CG1 VAL A 13 1.559 -3.880 -2.495 1.00 50.04 C ATOM 202 CG2 VAL A 13 -0.148 -2.109 -2.003 1.00 22.03 C ATOM 0 H VAL A 13 -1.690 -2.256 -4.206 1.00 55.51 H new ATOM 0 HA VAL A 13 1.059 -1.899 -4.443 1.00 15.03 H new ATOM 0 HB VAL A 13 -0.532 -4.004 -2.922 1.00 72.52 H new ATOM 0 HG11 VAL A 13 1.456 -4.231 -1.468 1.00 50.04 H new ATOM 0 HG12 VAL A 13 1.798 -4.722 -3.144 1.00 50.04 H new ATOM 0 HG13 VAL A 13 2.360 -3.143 -2.548 1.00 50.04 H new ATOM 0 HG21 VAL A 13 -0.214 -2.493 -0.985 1.00 22.03 H new ATOM 0 HG22 VAL A 13 0.604 -1.321 -2.046 1.00 22.03 H new ATOM 0 HG23 VAL A 13 -1.115 -1.705 -2.302 1.00 22.03 H new ATOM 212 N GLN A 14 0.009 -4.834 -5.620 1.00 33.04 N ATOM 213 CA GLN A 14 0.388 -5.940 -6.507 1.00 43.34 C ATOM 214 C GLN A 14 0.740 -5.435 -7.916 1.00 62.15 C ATOM 215 O GLN A 14 1.816 -5.724 -8.442 1.00 35.14 O ATOM 216 CB GLN A 14 -0.745 -6.974 -6.599 1.00 25.01 C ATOM 217 CG GLN A 14 -0.464 -8.098 -7.594 1.00 23.32 C ATOM 218 CD GLN A 14 -1.569 -9.144 -7.659 1.00 35.33 C ATOM 219 OE1 GLN A 14 -1.314 -10.312 -7.930 1.00 74.25 O ATOM 220 NE2 GLN A 14 -2.804 -8.743 -7.422 1.00 61.41 N ATOM 0 H GLN A 14 -0.946 -4.884 -5.265 1.00 33.04 H new ATOM 0 HA GLN A 14 1.272 -6.412 -6.078 1.00 43.34 H new ATOM 0 HB2 GLN A 14 -0.913 -7.406 -5.613 1.00 25.01 H new ATOM 0 HB3 GLN A 14 -1.666 -6.467 -6.886 1.00 25.01 H new ATOM 0 HG2 GLN A 14 -0.324 -7.668 -8.586 1.00 23.32 H new ATOM 0 HG3 GLN A 14 0.472 -8.586 -7.323 1.00 23.32 H new ATOM 0 HE21 GLN A 14 -2.989 -7.765 -7.199 1.00 61.41 H new ATOM 0 HE22 GLN A 14 -3.574 -9.411 -7.462 1.00 61.41 H new ATOM 229 N GLU A 15 -0.169 -4.663 -8.505 1.00 51.12 N ATOM 230 CA GLU A 15 -0.015 -4.199 -9.886 1.00 30.22 C ATOM 231 C GLU A 15 1.190 -3.252 -10.044 1.00 11.53 C ATOM 232 O GLU A 15 1.844 -3.234 -11.087 1.00 1.30 O ATOM 233 CB GLU A 15 -1.306 -3.517 -10.359 1.00 22.54 C ATOM 234 CG GLU A 15 -1.377 -3.314 -11.867 1.00 51.32 C ATOM 235 CD GLU A 15 -2.735 -2.807 -12.330 1.00 4.14 C ATOM 236 OE1 GLU A 15 -3.729 -3.547 -12.189 1.00 13.23 O ATOM 237 OE2 GLU A 15 -2.811 -1.680 -12.857 1.00 3.33 O ATOM 0 H GLU A 15 -1.023 -4.343 -8.048 1.00 51.12 H new ATOM 0 HA GLU A 15 0.178 -5.071 -10.511 1.00 30.22 H new ATOM 0 HB2 GLU A 15 -2.160 -4.116 -10.042 1.00 22.54 H new ATOM 0 HB3 GLU A 15 -1.396 -2.549 -9.867 1.00 22.54 H new ATOM 0 HG2 GLU A 15 -0.607 -2.605 -12.170 1.00 51.32 H new ATOM 0 HG3 GLU A 15 -1.157 -4.257 -12.367 1.00 51.32 H new ATOM 244 N ARG A 16 1.490 -2.471 -9.003 1.00 52.13 N ATOM 245 CA ARG A 16 2.662 -1.586 -9.031 1.00 54.54 C ATOM 246 C ARG A 16 3.970 -2.379 -9.080 1.00 53.52 C ATOM 247 O ARG A 16 4.710 -2.276 -10.049 1.00 44.10 O ATOM 248 CB ARG A 16 2.676 -0.622 -7.835 1.00 51.43 C ATOM 249 CG ARG A 16 1.951 0.695 -8.093 1.00 22.04 C ATOM 250 CD ARG A 16 2.475 1.389 -9.350 1.00 73.44 C ATOM 251 NE ARG A 16 3.942 1.448 -9.400 1.00 12.41 N ATOM 252 CZ ARG A 16 4.620 2.536 -9.643 1.00 35.04 C ATOM 253 NH1 ARG A 16 4.020 3.675 -9.723 1.00 51.13 N ATOM 254 NH2 ARG A 16 5.904 2.482 -9.760 1.00 63.03 N ATOM 0 H ARG A 16 0.947 -2.431 -8.140 1.00 52.13 H new ATOM 0 HA ARG A 16 2.583 -0.997 -9.945 1.00 54.54 H new ATOM 0 HB2 ARG A 16 2.218 -1.116 -6.978 1.00 51.43 H new ATOM 0 HB3 ARG A 16 3.710 -0.409 -7.565 1.00 51.43 H new ATOM 0 HG2 ARG A 16 0.882 0.508 -8.199 1.00 22.04 H new ATOM 0 HG3 ARG A 16 2.076 1.354 -7.234 1.00 22.04 H new ATOM 0 HD2 ARG A 16 2.107 0.862 -10.230 1.00 73.44 H new ATOM 0 HD3 ARG A 16 2.074 2.402 -9.394 1.00 73.44 H new ATOM 0 HE ARG A 16 4.462 0.586 -9.235 1.00 12.41 H new ATOM 0 HH11 ARG A 16 3.009 3.729 -9.596 1.00 51.13 H new ATOM 0 HH12 ARG A 16 4.556 4.522 -9.913 1.00 51.13 H new ATOM 0 HH21 ARG A 16 6.388 1.589 -9.663 1.00 63.03 H new ATOM 0 HH22 ARG A 16 6.435 3.332 -9.950 1.00 63.03 H new ATOM 268 N GLN A 17 4.249 -3.173 -8.044 1.00 23.24 N ATOM 269 CA GLN A 17 5.479 -3.983 -8.011 1.00 41.43 C ATOM 270 C GLN A 17 5.565 -4.901 -9.243 1.00 33.13 C ATOM 271 O GLN A 17 6.649 -5.307 -9.663 1.00 42.51 O ATOM 272 CB GLN A 17 5.548 -4.802 -6.710 1.00 61.24 C ATOM 273 CG GLN A 17 4.441 -5.840 -6.561 1.00 64.24 C ATOM 274 CD GLN A 17 4.368 -6.419 -5.157 1.00 5.12 C ATOM 275 OE1 GLN A 17 5.011 -7.411 -4.839 1.00 4.43 O ATOM 276 NE2 GLN A 17 3.584 -5.792 -4.303 1.00 61.11 N ATOM 0 H GLN A 17 3.651 -3.275 -7.224 1.00 23.24 H new ATOM 0 HA GLN A 17 6.335 -3.308 -8.037 1.00 41.43 H new ATOM 0 HB2 GLN A 17 6.512 -5.308 -6.664 1.00 61.24 H new ATOM 0 HB3 GLN A 17 5.505 -4.119 -5.862 1.00 61.24 H new ATOM 0 HG2 GLN A 17 3.484 -5.383 -6.812 1.00 64.24 H new ATOM 0 HG3 GLN A 17 4.606 -6.647 -7.275 1.00 64.24 H new ATOM 0 HE21 GLN A 17 3.062 -4.968 -4.600 1.00 61.11 H new ATOM 0 HE22 GLN A 17 3.500 -6.131 -3.345 1.00 61.11 H new ATOM 285 N ASN A 18 4.401 -5.207 -9.821 1.00 4.44 N ATOM 286 CA ASN A 18 4.318 -5.939 -11.087 1.00 2.44 C ATOM 287 C ASN A 18 4.936 -5.111 -12.234 1.00 24.23 C ATOM 288 O ASN A 18 5.647 -5.640 -13.087 1.00 15.55 O ATOM 289 CB ASN A 18 2.850 -6.260 -11.392 1.00 62.43 C ATOM 290 CG ASN A 18 2.677 -7.205 -12.565 1.00 71.12 C ATOM 291 OD1 ASN A 18 2.593 -6.787 -13.713 1.00 43.44 O ATOM 292 ND2 ASN A 18 2.609 -8.485 -12.277 1.00 51.12 N ATOM 0 H ASN A 18 3.494 -4.956 -9.427 1.00 4.44 H new ATOM 0 HA ASN A 18 4.881 -6.869 -11.000 1.00 2.44 H new ATOM 0 HB2 ASN A 18 2.390 -6.701 -10.508 1.00 62.43 H new ATOM 0 HB3 ASN A 18 2.317 -5.332 -11.600 1.00 62.43 H new ATOM 0 HD21 ASN A 18 2.482 -9.169 -13.023 1.00 51.12 H new ATOM 0 HD22 ASN A 18 2.683 -8.794 -11.308 1.00 51.12 H new ATOM 299 N MET A 19 4.663 -3.803 -12.235 1.00 72.43 N ATOM 300 CA MET A 19 5.219 -2.884 -13.242 1.00 41.53 C ATOM 301 C MET A 19 6.649 -2.440 -12.883 1.00 12.02 C ATOM 302 O MET A 19 7.443 -2.108 -13.763 1.00 74.01 O ATOM 303 CB MET A 19 4.323 -1.644 -13.394 1.00 54.23 C ATOM 304 CG MET A 19 2.912 -1.951 -13.870 1.00 24.20 C ATOM 305 SD MET A 19 1.915 -0.461 -14.078 1.00 52.12 S ATOM 306 CE MET A 19 0.341 -1.166 -14.559 1.00 65.04 C ATOM 0 H MET A 19 4.058 -3.352 -11.548 1.00 72.43 H new ATOM 0 HA MET A 19 5.256 -3.427 -14.186 1.00 41.53 H new ATOM 0 HB2 MET A 19 4.267 -1.130 -12.435 1.00 54.23 H new ATOM 0 HB3 MET A 19 4.790 -0.956 -14.098 1.00 54.23 H new ATOM 0 HG2 MET A 19 2.960 -2.488 -14.818 1.00 24.20 H new ATOM 0 HG3 MET A 19 2.426 -2.613 -13.153 1.00 24.20 H new ATOM 0 HE1 MET A 19 0.028 -0.741 -15.513 1.00 65.04 H new ATOM 0 HE2 MET A 19 0.442 -2.247 -14.659 1.00 65.04 H new ATOM 0 HE3 MET A 19 -0.407 -0.940 -13.799 1.00 65.04 H new ATOM 316 N ASP A 20 6.962 -2.414 -11.587 1.00 72.31 N ATOM 317 CA ASP A 20 8.307 -2.062 -11.117 1.00 42.32 C ATOM 318 C ASP A 20 9.284 -3.237 -11.292 1.00 10.24 C ATOM 319 O ASP A 20 10.495 -3.080 -11.117 1.00 11.42 O ATOM 320 CB ASP A 20 8.264 -1.625 -9.647 1.00 14.03 C ATOM 321 CG ASP A 20 7.638 -0.254 -9.454 1.00 13.22 C ATOM 322 OD1 ASP A 20 8.363 0.757 -9.580 1.00 12.02 O ATOM 323 OD2 ASP A 20 6.429 -0.170 -9.161 1.00 34.12 O ATOM 0 H ASP A 20 6.302 -2.633 -10.841 1.00 72.31 H new ATOM 0 HA ASP A 20 8.665 -1.230 -11.724 1.00 42.32 H new ATOM 0 HB2 ASP A 20 7.701 -2.360 -9.071 1.00 14.03 H new ATOM 0 HB3 ASP A 20 9.278 -1.615 -9.247 1.00 14.03 H new ATOM 328 N ASP A 21 8.734 -4.412 -11.617 1.00 75.22 N ATOM 329 CA ASP A 21 9.519 -5.612 -11.939 1.00 62.30 C ATOM 330 C ASP A 21 10.355 -6.119 -10.745 1.00 71.22 C ATOM 331 O ASP A 21 10.018 -7.129 -10.124 1.00 22.24 O ATOM 332 CB ASP A 21 10.423 -5.354 -13.154 1.00 31.24 C ATOM 333 CG ASP A 21 9.635 -4.913 -14.377 1.00 72.11 C ATOM 334 OD1 ASP A 21 8.811 -5.707 -14.879 1.00 1.21 O ATOM 335 OD2 ASP A 21 9.848 -3.778 -14.856 1.00 63.13 O ATOM 0 H ASP A 21 7.726 -4.560 -11.665 1.00 75.22 H new ATOM 0 HA ASP A 21 8.804 -6.399 -12.181 1.00 62.30 H new ATOM 0 HB2 ASP A 21 11.157 -4.588 -12.902 1.00 31.24 H new ATOM 0 HB3 ASP A 21 10.978 -6.262 -13.390 1.00 31.24 H new ATOM 340 N GLY A 22 11.445 -5.423 -10.435 1.00 13.15 N ATOM 341 CA GLY A 22 12.325 -5.850 -9.349 1.00 1.11 C ATOM 342 C GLY A 22 12.210 -4.982 -8.099 1.00 34.43 C ATOM 343 O GLY A 22 12.726 -5.339 -7.035 1.00 41.21 O ATOM 0 H GLY A 22 11.739 -4.571 -10.913 1.00 13.15 H new ATOM 0 HA2 GLY A 22 12.093 -6.883 -9.088 1.00 1.11 H new ATOM 0 HA3 GLY A 22 13.357 -5.834 -9.700 1.00 1.11 H new ATOM 347 N ALA A 23 11.541 -3.842 -8.221 1.00 5.30 N ATOM 348 CA ALA A 23 11.393 -2.907 -7.102 1.00 63.43 C ATOM 349 C ALA A 23 9.993 -2.982 -6.469 1.00 45.04 C ATOM 350 O ALA A 23 8.995 -3.140 -7.167 1.00 21.13 O ATOM 351 CB ALA A 23 11.686 -1.489 -7.574 1.00 30.34 C ATOM 0 H ALA A 23 11.090 -3.538 -9.084 1.00 5.30 H new ATOM 0 HA ALA A 23 12.110 -3.191 -6.332 1.00 63.43 H new ATOM 0 HB1 ALA A 23 11.575 -0.797 -6.739 1.00 30.34 H new ATOM 0 HB2 ALA A 23 12.706 -1.436 -7.956 1.00 30.34 H new ATOM 0 HB3 ALA A 23 10.988 -1.217 -8.366 1.00 30.34 H new ATOM 357 N PRO A 24 9.902 -2.878 -5.127 1.00 60.14 N ATOM 358 CA PRO A 24 8.608 -2.849 -4.421 1.00 64.03 C ATOM 359 C PRO A 24 7.829 -1.533 -4.632 1.00 3.40 C ATOM 360 O PRO A 24 8.259 -0.641 -5.376 1.00 0.33 O ATOM 361 CB PRO A 24 9.008 -3.017 -2.950 1.00 63.05 C ATOM 362 CG PRO A 24 10.407 -2.506 -2.873 1.00 42.10 C ATOM 363 CD PRO A 24 11.045 -2.813 -4.199 1.00 65.31 C ATOM 0 HA PRO A 24 7.931 -3.621 -4.788 1.00 64.03 H new ATOM 0 HB2 PRO A 24 8.345 -2.454 -2.293 1.00 63.05 H new ATOM 0 HB3 PRO A 24 8.951 -4.061 -2.642 1.00 63.05 H new ATOM 0 HG2 PRO A 24 10.419 -1.434 -2.675 1.00 42.10 H new ATOM 0 HG3 PRO A 24 10.951 -2.986 -2.060 1.00 42.10 H new ATOM 0 HD2 PRO A 24 11.755 -2.039 -4.491 1.00 65.31 H new ATOM 0 HD3 PRO A 24 11.593 -3.755 -4.172 1.00 65.31 H new ATOM 371 N VAL A 25 6.682 -1.413 -3.963 1.00 30.13 N ATOM 372 CA VAL A 25 5.803 -0.250 -4.130 1.00 41.52 C ATOM 373 C VAL A 25 6.168 0.884 -3.159 1.00 74.41 C ATOM 374 O VAL A 25 6.689 0.642 -2.073 1.00 74.43 O ATOM 375 CB VAL A 25 4.323 -0.643 -3.922 1.00 25.14 C ATOM 376 CG1 VAL A 25 3.387 0.485 -4.358 1.00 51.14 C ATOM 377 CG2 VAL A 25 4.010 -1.930 -4.673 1.00 42.55 C ATOM 0 H VAL A 25 6.338 -2.107 -3.299 1.00 30.13 H new ATOM 0 HA VAL A 25 5.943 0.108 -5.150 1.00 41.52 H new ATOM 0 HB VAL A 25 4.160 -0.814 -2.858 1.00 25.14 H new ATOM 0 HG11 VAL A 25 2.352 0.181 -4.200 1.00 51.14 H new ATOM 0 HG12 VAL A 25 3.596 1.379 -3.770 1.00 51.14 H new ATOM 0 HG13 VAL A 25 3.545 0.701 -5.415 1.00 51.14 H new ATOM 0 HG21 VAL A 25 2.964 -2.196 -4.519 1.00 42.55 H new ATOM 0 HG22 VAL A 25 4.194 -1.784 -5.737 1.00 42.55 H new ATOM 0 HG23 VAL A 25 4.647 -2.732 -4.301 1.00 42.55 H new ATOM 387 N LYS A 26 5.880 2.120 -3.558 1.00 62.22 N ATOM 388 CA LYS A 26 6.233 3.304 -2.765 1.00 51.54 C ATOM 389 C LYS A 26 5.027 3.808 -1.950 1.00 10.10 C ATOM 390 O LYS A 26 3.930 3.952 -2.492 1.00 4.11 O ATOM 391 CB LYS A 26 6.744 4.428 -3.690 1.00 1.21 C ATOM 392 CG LYS A 26 8.042 4.104 -4.444 1.00 43.21 C ATOM 393 CD LYS A 26 7.869 2.986 -5.478 1.00 23.05 C ATOM 394 CE LYS A 26 9.180 2.650 -6.176 1.00 75.43 C ATOM 395 NZ LYS A 26 9.055 1.478 -7.090 1.00 52.13 N ATOM 0 H LYS A 26 5.399 2.333 -4.432 1.00 62.22 H new ATOM 0 HA LYS A 26 7.022 3.020 -2.069 1.00 51.54 H new ATOM 0 HB2 LYS A 26 5.967 4.661 -4.418 1.00 1.21 H new ATOM 0 HB3 LYS A 26 6.902 5.326 -3.093 1.00 1.21 H new ATOM 0 HG2 LYS A 26 8.399 5.004 -4.946 1.00 43.21 H new ATOM 0 HG3 LYS A 26 8.810 3.813 -3.727 1.00 43.21 H new ATOM 0 HD2 LYS A 26 7.480 2.094 -4.987 1.00 23.05 H new ATOM 0 HD3 LYS A 26 7.130 3.289 -6.220 1.00 23.05 H new ATOM 0 HE2 LYS A 26 9.518 3.516 -6.745 1.00 75.43 H new ATOM 0 HE3 LYS A 26 9.944 2.443 -5.427 1.00 75.43 H new ATOM 0 HZ1 LYS A 26 9.999 1.195 -7.422 1.00 52.13 H new ATOM 0 HZ2 LYS A 26 8.615 0.685 -6.580 1.00 52.13 H new ATOM 0 HZ3 LYS A 26 8.464 1.736 -7.906 1.00 52.13 H new ATOM 409 N THR A 27 5.239 4.082 -0.655 1.00 65.15 N ATOM 410 CA THR A 27 4.167 4.590 0.232 1.00 41.11 C ATOM 411 C THR A 27 3.388 5.749 -0.411 1.00 44.11 C ATOM 412 O THR A 27 2.156 5.766 -0.398 1.00 61.21 O ATOM 413 CB THR A 27 4.729 5.070 1.597 1.00 12.54 C ATOM 414 OG1 THR A 27 5.423 3.997 2.251 1.00 52.32 O ATOM 415 CG2 THR A 27 3.616 5.583 2.511 1.00 42.22 C ATOM 0 H THR A 27 6.140 3.963 -0.193 1.00 65.15 H new ATOM 0 HA THR A 27 3.491 3.750 0.393 1.00 41.11 H new ATOM 0 HB THR A 27 5.419 5.890 1.399 1.00 12.54 H new ATOM 0 HG1 THR A 27 6.301 4.311 2.553 1.00 52.32 H new ATOM 0 HG21 THR A 27 4.045 5.911 3.458 1.00 42.22 H new ATOM 0 HG22 THR A 27 3.110 6.421 2.032 1.00 42.22 H new ATOM 0 HG23 THR A 27 2.899 4.783 2.695 1.00 42.22 H new ATOM 423 N ARG A 28 4.116 6.718 -0.971 1.00 11.42 N ATOM 424 CA ARG A 28 3.489 7.833 -1.693 1.00 34.25 C ATOM 425 C ARG A 28 2.644 7.339 -2.873 1.00 33.54 C ATOM 426 O ARG A 28 1.457 7.639 -2.962 1.00 74.51 O ATOM 427 CB ARG A 28 4.546 8.816 -2.219 1.00 0.00 C ATOM 428 CG ARG A 28 5.070 9.807 -1.188 1.00 13.22 C ATOM 429 CD ARG A 28 5.996 10.837 -1.836 1.00 45.33 C ATOM 430 NE ARG A 28 5.405 11.422 -3.043 1.00 54.52 N ATOM 431 CZ ARG A 28 5.950 12.378 -3.745 1.00 11.45 C ATOM 432 NH1 ARG A 28 7.048 12.938 -3.362 1.00 15.50 N ATOM 433 NH2 ARG A 28 5.381 12.786 -4.829 1.00 11.25 N ATOM 0 H ARG A 28 5.135 6.755 -0.940 1.00 11.42 H new ATOM 0 HA ARG A 28 2.840 8.341 -0.979 1.00 34.25 H new ATOM 0 HB2 ARG A 28 5.387 8.246 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.120 9.373 -3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.233 10.316 -0.710 1.00 13.22 H new ATOM 0 HG3 ARG A 28 5.607 9.272 -0.405 1.00 13.22 H new ATOM 0 HD2 ARG A 28 6.216 11.628 -1.120 1.00 45.33 H new ATOM 0 HD3 ARG A 28 6.945 10.364 -2.089 1.00 45.33 H new ATOM 0 HE ARG A 28 4.506 11.057 -3.356 1.00 54.52 H new ATOM 0 HH11 ARG A 28 7.502 12.635 -2.500 1.00 15.50 H new ATOM 0 HH12 ARG A 28 7.462 13.684 -3.921 1.00 15.50 H new ATOM 0 HH21 ARG A 28 4.506 12.361 -5.137 1.00 11.25 H new ATOM 0 HH22 ARG A 28 5.806 13.533 -5.378 1.00 11.25 H new ATOM 447 N ASP A 29 3.271 6.576 -3.766 1.00 43.43 N ATOM 448 CA ASP A 29 2.629 6.131 -5.009 1.00 22.34 C ATOM 449 C ASP A 29 1.260 5.471 -4.750 1.00 45.44 C ATOM 450 O ASP A 29 0.303 5.680 -5.501 1.00 0.12 O ATOM 451 CB ASP A 29 3.553 5.165 -5.748 1.00 64.45 C ATOM 452 CG ASP A 29 3.076 4.898 -7.157 1.00 13.12 C ATOM 453 OD1 ASP A 29 3.391 5.707 -8.055 1.00 74.53 O ATOM 454 OD2 ASP A 29 2.365 3.898 -7.371 1.00 62.25 O ATOM 0 H ASP A 29 4.231 6.249 -3.654 1.00 43.43 H new ATOM 0 HA ASP A 29 2.450 7.011 -5.626 1.00 22.34 H new ATOM 0 HB2 ASP A 29 4.561 5.578 -5.778 1.00 64.45 H new ATOM 0 HB3 ASP A 29 3.610 4.225 -5.199 1.00 64.45 H new ATOM 459 N ILE A 30 1.176 4.681 -3.680 1.00 61.24 N ATOM 460 CA ILE A 30 -0.091 4.067 -3.268 1.00 12.12 C ATOM 461 C ILE A 30 -1.150 5.143 -2.963 1.00 44.23 C ATOM 462 O ILE A 30 -2.318 5.013 -3.342 1.00 1.42 O ATOM 463 CB ILE A 30 0.101 3.164 -2.023 1.00 63.52 C ATOM 464 CG1 ILE A 30 1.176 2.100 -2.295 1.00 14.35 C ATOM 465 CG2 ILE A 30 -1.220 2.502 -1.628 1.00 41.04 C ATOM 466 CD1 ILE A 30 1.498 1.223 -1.102 1.00 14.53 C ATOM 0 H ILE A 30 1.969 4.450 -3.081 1.00 61.24 H new ATOM 0 HA ILE A 30 -0.437 3.451 -4.098 1.00 12.12 H new ATOM 0 HB ILE A 30 0.432 3.788 -1.193 1.00 63.52 H new ATOM 0 HG12 ILE A 30 0.845 1.467 -3.118 1.00 14.35 H new ATOM 0 HG13 ILE A 30 2.089 2.597 -2.623 1.00 14.35 H new ATOM 0 HG21 ILE A 30 -1.064 1.872 -0.752 1.00 41.04 H new ATOM 0 HG22 ILE A 30 -1.957 3.271 -1.396 1.00 41.04 H new ATOM 0 HG23 ILE A 30 -1.582 1.890 -2.455 1.00 41.04 H new ATOM 0 HD11 ILE A 30 2.265 0.500 -1.379 1.00 14.53 H new ATOM 0 HD12 ILE A 30 1.862 1.843 -0.283 1.00 14.53 H new ATOM 0 HD13 ILE A 30 0.599 0.695 -0.785 1.00 14.53 H new ATOM 478 N ALA A 31 -0.725 6.215 -2.293 1.00 11.10 N ATOM 479 CA ALA A 31 -1.608 7.344 -1.987 1.00 73.03 C ATOM 480 C ALA A 31 -2.007 8.101 -3.262 1.00 11.12 C ATOM 481 O ALA A 31 -3.152 8.534 -3.402 1.00 74.42 O ATOM 482 CB ALA A 31 -0.934 8.283 -0.996 1.00 33.02 C ATOM 0 H ALA A 31 0.229 6.326 -1.950 1.00 11.10 H new ATOM 0 HA ALA A 31 -2.519 6.950 -1.537 1.00 73.03 H new ATOM 0 HB1 ALA A 31 -1.599 9.118 -0.776 1.00 33.02 H new ATOM 0 HB2 ALA A 31 -0.713 7.743 -0.075 1.00 33.02 H new ATOM 0 HB3 ALA A 31 -0.007 8.661 -1.426 1.00 33.02 H new ATOM 488 N ASP A 32 -1.057 8.262 -4.185 1.00 51.02 N ATOM 489 CA ASP A 32 -1.324 8.909 -5.476 1.00 31.23 C ATOM 490 C ASP A 32 -2.387 8.140 -6.277 1.00 63.42 C ATOM 491 O ASP A 32 -3.419 8.696 -6.658 1.00 32.33 O ATOM 492 CB ASP A 32 -0.033 9.014 -6.299 1.00 2.50 C ATOM 493 CG ASP A 32 0.958 9.998 -5.709 1.00 40.33 C ATOM 494 OD1 ASP A 32 0.813 11.216 -5.955 1.00 73.51 O ATOM 495 OD2 ASP A 32 1.893 9.570 -5.006 1.00 75.22 O ATOM 0 H ASP A 32 -0.092 7.953 -4.064 1.00 51.02 H new ATOM 0 HA ASP A 32 -1.704 9.910 -5.272 1.00 31.23 H new ATOM 0 HB2 ASP A 32 0.433 8.031 -6.364 1.00 2.50 H new ATOM 0 HB3 ASP A 32 -0.279 9.318 -7.316 1.00 2.50 H new ATOM 500 N ALA A 33 -2.127 6.858 -6.521 1.00 11.33 N ATOM 501 CA ALA A 33 -3.041 6.004 -7.289 1.00 50.51 C ATOM 502 C ALA A 33 -4.431 5.917 -6.640 1.00 1.23 C ATOM 503 O ALA A 33 -5.453 6.041 -7.319 1.00 61.23 O ATOM 504 CB ALA A 33 -2.440 4.613 -7.453 1.00 44.24 C ATOM 0 H ALA A 33 -1.286 6.381 -6.197 1.00 11.33 H new ATOM 0 HA ALA A 33 -3.173 6.458 -8.271 1.00 50.51 H new ATOM 0 HB1 ALA A 33 -3.125 3.986 -8.024 1.00 44.24 H new ATOM 0 HB2 ALA A 33 -1.490 4.687 -7.981 1.00 44.24 H new ATOM 0 HB3 ALA A 33 -2.275 4.170 -6.471 1.00 44.24 H new ATOM 510 N ALA A 34 -4.464 5.706 -5.325 1.00 23.34 N ATOM 511 CA ALA A 34 -5.733 5.611 -4.586 1.00 74.32 C ATOM 512 C ALA A 34 -6.396 6.986 -4.389 1.00 33.44 C ATOM 513 O ALA A 34 -7.611 7.079 -4.199 1.00 13.41 O ATOM 514 CB ALA A 34 -5.503 4.943 -3.235 1.00 51.43 C ATOM 0 H ALA A 34 -3.631 5.597 -4.746 1.00 23.34 H new ATOM 0 HA ALA A 34 -6.413 5.004 -5.184 1.00 74.32 H new ATOM 0 HB1 ALA A 34 -6.448 4.877 -2.696 1.00 51.43 H new ATOM 0 HB2 ALA A 34 -5.102 3.941 -3.388 1.00 51.43 H new ATOM 0 HB3 ALA A 34 -4.794 5.532 -2.654 1.00 51.43 H new ATOM 520 N GLY A 35 -5.594 8.049 -4.436 1.00 61.22 N ATOM 521 CA GLY A 35 -6.108 9.397 -4.205 1.00 42.00 C ATOM 522 C GLY A 35 -6.399 9.668 -2.732 1.00 11.41 C ATOM 523 O GLY A 35 -7.443 10.224 -2.384 1.00 54.13 O ATOM 0 H GLY A 35 -4.594 8.004 -4.630 1.00 61.22 H new ATOM 0 HA2 GLY A 35 -5.384 10.126 -4.569 1.00 42.00 H new ATOM 0 HA3 GLY A 35 -7.021 9.538 -4.784 1.00 42.00 H new ATOM 527 N LEU A 36 -5.472 9.269 -1.863 1.00 54.12 N ATOM 528 CA LEU A 36 -5.647 9.412 -0.411 1.00 51.10 C ATOM 529 C LEU A 36 -4.456 10.147 0.235 1.00 51.42 C ATOM 530 O LEU A 36 -3.495 10.521 -0.441 1.00 42.22 O ATOM 531 CB LEU A 36 -5.810 8.027 0.240 1.00 60.41 C ATOM 532 CG LEU A 36 -7.000 7.187 -0.259 1.00 12.22 C ATOM 533 CD1 LEU A 36 -7.016 5.811 0.408 1.00 42.13 C ATOM 534 CD2 LEU A 36 -8.318 7.922 -0.018 1.00 55.23 C ATOM 0 H LEU A 36 -4.587 8.842 -2.137 1.00 54.12 H new ATOM 0 HA LEU A 36 -6.545 10.007 -0.244 1.00 51.10 H new ATOM 0 HB2 LEU A 36 -4.894 7.459 0.075 1.00 60.41 H new ATOM 0 HB3 LEU A 36 -5.912 8.162 1.317 1.00 60.41 H new ATOM 0 HG LEU A 36 -6.883 7.039 -1.333 1.00 12.22 H new ATOM 0 HD11 LEU A 36 -7.866 5.237 0.039 1.00 42.13 H new ATOM 0 HD12 LEU A 36 -6.092 5.282 0.174 1.00 42.13 H new ATOM 0 HD13 LEU A 36 -7.101 5.931 1.488 1.00 42.13 H new ATOM 0 HD21 LEU A 36 -9.146 7.311 -0.378 1.00 55.23 H new ATOM 0 HD22 LEU A 36 -8.441 8.108 1.049 1.00 55.23 H new ATOM 0 HD23 LEU A 36 -8.308 8.872 -0.553 1.00 55.23 H new ATOM 546 N SER A 37 -4.539 10.348 1.549 1.00 64.13 N ATOM 547 CA SER A 37 -3.451 10.973 2.320 1.00 64.04 C ATOM 548 C SER A 37 -2.425 9.931 2.783 1.00 3.13 C ATOM 549 O SER A 37 -2.776 8.784 3.072 1.00 42.10 O ATOM 550 CB SER A 37 -4.012 11.711 3.546 1.00 63.42 C ATOM 551 OG SER A 37 -2.967 12.220 4.362 1.00 45.21 O ATOM 0 H SER A 37 -5.350 10.088 2.110 1.00 64.13 H new ATOM 0 HA SER A 37 -2.954 11.686 1.662 1.00 64.04 H new ATOM 0 HB2 SER A 37 -4.653 12.530 3.219 1.00 63.42 H new ATOM 0 HB3 SER A 37 -4.634 11.032 4.129 1.00 63.42 H new ATOM 0 HG SER A 37 -3.352 12.686 5.133 1.00 45.21 H new ATOM 557 N ILE A 38 -1.160 10.347 2.876 1.00 52.30 N ATOM 558 CA ILE A 38 -0.058 9.446 3.252 1.00 64.13 C ATOM 559 C ILE A 38 -0.318 8.748 4.598 1.00 51.53 C ATOM 560 O ILE A 38 -0.095 7.542 4.735 1.00 13.22 O ATOM 561 CB ILE A 38 1.299 10.204 3.334 1.00 34.02 C ATOM 562 CG1 ILE A 38 1.625 10.885 1.991 1.00 33.23 C ATOM 563 CG2 ILE A 38 2.431 9.260 3.749 1.00 53.34 C ATOM 564 CD1 ILE A 38 1.766 9.925 0.829 1.00 51.43 C ATOM 0 H ILE A 38 -0.868 11.308 2.696 1.00 52.30 H new ATOM 0 HA ILE A 38 -0.005 8.692 2.467 1.00 64.13 H new ATOM 0 HB ILE A 38 1.207 10.977 4.097 1.00 34.02 H new ATOM 0 HG12 ILE A 38 0.839 11.604 1.761 1.00 33.23 H new ATOM 0 HG13 ILE A 38 2.552 11.449 2.097 1.00 33.23 H new ATOM 0 HG21 ILE A 38 3.368 9.815 3.799 1.00 53.34 H new ATOM 0 HG22 ILE A 38 2.209 8.834 4.728 1.00 53.34 H new ATOM 0 HG23 ILE A 38 2.523 8.458 3.017 1.00 53.34 H new ATOM 0 HD11 ILE A 38 1.995 10.483 -0.079 1.00 51.43 H new ATOM 0 HD12 ILE A 38 2.572 9.220 1.035 1.00 51.43 H new ATOM 0 HD13 ILE A 38 0.833 9.379 0.693 1.00 51.43 H new ATOM 576 N TYR A 39 -0.787 9.508 5.588 1.00 73.12 N ATOM 577 CA TYR A 39 -1.056 8.955 6.919 1.00 43.31 C ATOM 578 C TYR A 39 -2.133 7.855 6.868 1.00 1.13 C ATOM 579 O TYR A 39 -1.910 6.742 7.343 1.00 64.23 O ATOM 580 CB TYR A 39 -1.474 10.065 7.892 1.00 4.21 C ATOM 581 CG TYR A 39 -1.635 9.589 9.327 1.00 41.01 C ATOM 582 CD1 TYR A 39 -0.523 9.267 10.100 1.00 53.44 C ATOM 583 CD2 TYR A 39 -2.893 9.458 9.908 1.00 64.04 C ATOM 584 CE1 TYR A 39 -0.660 8.828 11.403 1.00 3.42 C ATOM 585 CE2 TYR A 39 -3.036 9.022 11.210 1.00 31.54 C ATOM 586 CZ TYR A 39 -1.918 8.708 11.953 1.00 64.34 C ATOM 587 OH TYR A 39 -2.056 8.270 13.253 1.00 22.13 O ATOM 0 H TYR A 39 -0.988 10.504 5.496 1.00 73.12 H new ATOM 0 HA TYR A 39 -0.132 8.502 7.278 1.00 43.31 H new ATOM 0 HB2 TYR A 39 -0.730 10.861 7.864 1.00 4.21 H new ATOM 0 HB3 TYR A 39 -2.416 10.497 7.554 1.00 4.21 H new ATOM 0 HD1 TYR A 39 0.465 9.362 9.674 1.00 53.44 H new ATOM 0 HD2 TYR A 39 -3.772 9.702 9.330 1.00 64.04 H new ATOM 0 HE1 TYR A 39 0.214 8.580 11.987 1.00 3.42 H new ATOM 0 HE2 TYR A 39 -4.020 8.927 11.645 1.00 31.54 H new ATOM 0 HH TYR A 39 -3.007 8.242 13.490 1.00 22.13 H new ATOM 597 N GLN A 40 -3.293 8.172 6.293 1.00 74.24 N ATOM 598 CA GLN A 40 -4.379 7.192 6.136 1.00 1.04 C ATOM 599 C GLN A 40 -3.876 5.898 5.464 1.00 64.23 C ATOM 600 O GLN A 40 -4.114 4.782 5.948 1.00 64.45 O ATOM 601 CB GLN A 40 -5.520 7.801 5.299 1.00 62.32 C ATOM 602 CG GLN A 40 -6.728 6.881 5.130 1.00 4.42 C ATOM 603 CD GLN A 40 -7.502 6.665 6.422 1.00 73.13 C ATOM 604 OE1 GLN A 40 -7.192 5.779 7.211 1.00 70.44 O ATOM 605 NE2 GLN A 40 -8.528 7.462 6.641 1.00 3.12 N ATOM 0 H GLN A 40 -3.509 9.099 5.927 1.00 74.24 H new ATOM 0 HA GLN A 40 -4.748 6.938 7.130 1.00 1.04 H new ATOM 0 HB2 GLN A 40 -5.846 8.729 5.769 1.00 62.32 H new ATOM 0 HB3 GLN A 40 -5.134 8.062 4.313 1.00 62.32 H new ATOM 0 HG2 GLN A 40 -7.396 7.304 4.380 1.00 4.42 H new ATOM 0 HG3 GLN A 40 -6.392 5.916 4.750 1.00 4.42 H new ATOM 0 HE21 GLN A 40 -8.761 8.190 5.966 1.00 3.12 H new ATOM 0 HE22 GLN A 40 -9.089 7.351 7.486 1.00 3.12 H new ATOM 614 N VAL A 41 -3.161 6.064 4.355 1.00 74.11 N ATOM 615 CA VAL A 41 -2.628 4.933 3.594 1.00 71.44 C ATOM 616 C VAL A 41 -1.665 4.073 4.429 1.00 12.44 C ATOM 617 O VAL A 41 -1.832 2.853 4.515 1.00 35.42 O ATOM 618 CB VAL A 41 -1.909 5.418 2.309 1.00 73.20 C ATOM 619 CG1 VAL A 41 -1.261 4.252 1.564 1.00 65.14 C ATOM 620 CG2 VAL A 41 -2.883 6.162 1.401 1.00 12.35 C ATOM 0 H VAL A 41 -2.935 6.977 3.959 1.00 74.11 H new ATOM 0 HA VAL A 41 -3.482 4.314 3.319 1.00 71.44 H new ATOM 0 HB VAL A 41 -1.117 6.105 2.606 1.00 73.20 H new ATOM 0 HG11 VAL A 41 -0.765 4.624 0.668 1.00 65.14 H new ATOM 0 HG12 VAL A 41 -0.528 3.769 2.211 1.00 65.14 H new ATOM 0 HG13 VAL A 41 -2.027 3.530 1.282 1.00 65.14 H new ATOM 0 HG21 VAL A 41 -2.362 6.495 0.504 1.00 12.35 H new ATOM 0 HG22 VAL A 41 -3.699 5.497 1.120 1.00 12.35 H new ATOM 0 HG23 VAL A 41 -3.285 7.026 1.929 1.00 12.35 H new ATOM 630 N ARG A 42 -0.668 4.706 5.058 1.00 71.14 N ATOM 631 CA ARG A 42 0.326 3.967 5.850 1.00 52.21 C ATOM 632 C ARG A 42 -0.336 3.207 7.011 1.00 33.10 C ATOM 633 O ARG A 42 0.181 2.186 7.463 1.00 24.11 O ATOM 634 CB ARG A 42 1.425 4.898 6.394 1.00 32.54 C ATOM 635 CG ARG A 42 0.952 5.858 7.482 1.00 41.35 C ATOM 636 CD ARG A 42 2.118 6.550 8.179 1.00 15.44 C ATOM 637 NE ARG A 42 3.027 5.585 8.800 1.00 20.11 N ATOM 638 CZ ARG A 42 3.195 5.444 10.088 1.00 10.20 C ATOM 639 NH1 ARG A 42 2.578 6.210 10.929 1.00 72.23 N ATOM 640 NH2 ARG A 42 3.996 4.538 10.535 1.00 34.43 N ATOM 0 H ARG A 42 -0.527 5.716 5.036 1.00 71.14 H new ATOM 0 HA ARG A 42 0.789 3.244 5.178 1.00 52.21 H new ATOM 0 HB2 ARG A 42 2.237 4.289 6.791 1.00 32.54 H new ATOM 0 HB3 ARG A 42 1.836 5.478 5.567 1.00 32.54 H new ATOM 0 HG2 ARG A 42 0.295 6.609 7.043 1.00 41.35 H new ATOM 0 HG3 ARG A 42 0.363 5.310 8.218 1.00 41.35 H new ATOM 0 HD2 ARG A 42 2.667 7.154 7.457 1.00 15.44 H new ATOM 0 HD3 ARG A 42 1.735 7.231 8.939 1.00 15.44 H new ATOM 0 HE ARG A 42 3.568 4.979 8.183 1.00 20.11 H new ATOM 0 HH11 ARG A 42 1.949 6.938 10.590 1.00 72.23 H new ATOM 0 HH12 ARG A 42 2.721 6.086 11.931 1.00 72.23 H new ATOM 0 HH21 ARG A 42 4.497 3.934 9.884 1.00 34.43 H new ATOM 0 HH22 ARG A 42 4.129 4.426 11.540 1.00 34.43 H new ATOM 654 N LEU A 43 -1.482 3.709 7.489 1.00 4.44 N ATOM 655 CA LEU A 43 -2.254 3.011 8.521 1.00 4.13 C ATOM 656 C LEU A 43 -2.731 1.652 8.002 1.00 53.42 C ATOM 657 O LEU A 43 -2.464 0.615 8.613 1.00 42.45 O ATOM 658 CB LEU A 43 -3.460 3.852 8.968 1.00 34.32 C ATOM 659 CG LEU A 43 -3.123 5.171 9.679 1.00 50.34 C ATOM 660 CD1 LEU A 43 -4.398 5.918 10.052 1.00 21.33 C ATOM 661 CD2 LEU A 43 -2.257 4.921 10.913 1.00 55.24 C ATOM 0 H LEU A 43 -1.892 4.590 7.179 1.00 4.44 H new ATOM 0 HA LEU A 43 -1.603 2.856 9.381 1.00 4.13 H new ATOM 0 HB2 LEU A 43 -4.068 4.078 8.092 1.00 34.32 H new ATOM 0 HB3 LEU A 43 -4.075 3.247 9.635 1.00 34.32 H new ATOM 0 HG LEU A 43 -2.551 5.793 8.990 1.00 50.34 H new ATOM 0 HD11 LEU A 43 -4.140 6.850 10.555 1.00 21.33 H new ATOM 0 HD12 LEU A 43 -4.968 6.138 9.149 1.00 21.33 H new ATOM 0 HD13 LEU A 43 -5.000 5.300 10.719 1.00 21.33 H new ATOM 0 HD21 LEU A 43 -2.032 5.871 11.398 1.00 55.24 H new ATOM 0 HD22 LEU A 43 -2.793 4.276 11.609 1.00 55.24 H new ATOM 0 HD23 LEU A 43 -1.327 4.438 10.613 1.00 55.24 H new ATOM 673 N TYR A 44 -3.425 1.664 6.862 1.00 55.44 N ATOM 674 CA TYR A 44 -3.887 0.416 6.235 1.00 20.14 C ATOM 675 C TYR A 44 -2.706 -0.522 5.934 1.00 10.31 C ATOM 676 O TYR A 44 -2.743 -1.712 6.251 1.00 63.54 O ATOM 677 CB TYR A 44 -4.658 0.706 4.938 1.00 72.41 C ATOM 678 CG TYR A 44 -5.929 1.508 5.141 1.00 64.03 C ATOM 679 CD1 TYR A 44 -6.944 1.041 5.971 1.00 22.41 C ATOM 680 CD2 TYR A 44 -6.122 2.725 4.494 1.00 3.11 C ATOM 681 CE1 TYR A 44 -8.109 1.762 6.148 1.00 32.13 C ATOM 682 CE2 TYR A 44 -7.285 3.449 4.669 1.00 74.14 C ATOM 683 CZ TYR A 44 -8.275 2.964 5.495 1.00 71.42 C ATOM 684 OH TYR A 44 -9.434 3.687 5.676 1.00 73.12 O ATOM 0 H TYR A 44 -3.679 2.512 6.356 1.00 55.44 H new ATOM 0 HA TYR A 44 -4.555 -0.076 6.942 1.00 20.14 H new ATOM 0 HB2 TYR A 44 -4.005 1.247 4.253 1.00 72.41 H new ATOM 0 HB3 TYR A 44 -4.910 -0.240 4.458 1.00 72.41 H new ATOM 0 HD1 TYR A 44 -6.819 0.100 6.485 1.00 22.41 H new ATOM 0 HD2 TYR A 44 -5.350 3.110 3.844 1.00 3.11 H new ATOM 0 HE1 TYR A 44 -8.887 1.385 6.796 1.00 32.13 H new ATOM 0 HE2 TYR A 44 -7.418 4.392 4.160 1.00 74.14 H new ATOM 0 HH TYR A 44 -9.392 4.510 5.146 1.00 73.12 H new ATOM 694 N LEU A 45 -1.657 0.034 5.331 1.00 11.14 N ATOM 695 CA LEU A 45 -0.460 -0.737 4.974 1.00 24.20 C ATOM 696 C LEU A 45 0.191 -1.395 6.206 1.00 44.44 C ATOM 697 O LEU A 45 0.585 -2.561 6.162 1.00 33.35 O ATOM 698 CB LEU A 45 0.564 0.171 4.279 1.00 11.20 C ATOM 699 CG LEU A 45 0.087 0.836 2.976 1.00 1.13 C ATOM 700 CD1 LEU A 45 1.161 1.772 2.432 1.00 3.53 C ATOM 701 CD2 LEU A 45 -0.292 -0.220 1.938 1.00 44.42 C ATOM 0 H LEU A 45 -1.609 1.021 5.077 1.00 11.14 H new ATOM 0 HA LEU A 45 -0.775 -1.530 4.296 1.00 24.20 H new ATOM 0 HB2 LEU A 45 0.862 0.953 4.977 1.00 11.20 H new ATOM 0 HB3 LEU A 45 1.455 -0.417 4.060 1.00 11.20 H new ATOM 0 HG LEU A 45 -0.802 1.427 3.195 1.00 1.13 H new ATOM 0 HD11 LEU A 45 0.808 2.234 1.510 1.00 3.53 H new ATOM 0 HD12 LEU A 45 1.375 2.547 3.168 1.00 3.53 H new ATOM 0 HD13 LEU A 45 2.069 1.205 2.228 1.00 3.53 H new ATOM 0 HD21 LEU A 45 -0.626 0.271 1.024 1.00 44.42 H new ATOM 0 HD22 LEU A 45 0.576 -0.842 1.719 1.00 44.42 H new ATOM 0 HD23 LEU A 45 -1.096 -0.843 2.330 1.00 44.42 H new ATOM 713 N GLU A 46 0.301 -0.641 7.300 1.00 4.14 N ATOM 714 CA GLU A 46 0.941 -1.138 8.525 1.00 74.35 C ATOM 715 C GLU A 46 0.121 -2.267 9.173 1.00 71.12 C ATOM 716 O GLU A 46 0.680 -3.258 9.651 1.00 54.13 O ATOM 717 CB GLU A 46 1.160 0.015 9.516 1.00 13.33 C ATOM 718 CG GLU A 46 1.971 -0.374 10.750 1.00 64.30 C ATOM 719 CD GLU A 46 2.356 0.828 11.600 1.00 72.33 C ATOM 720 OE1 GLU A 46 3.409 1.451 11.318 1.00 25.04 O ATOM 721 OE2 GLU A 46 1.607 1.161 12.544 1.00 21.42 O ATOM 0 H GLU A 46 -0.044 0.317 7.366 1.00 4.14 H new ATOM 0 HA GLU A 46 1.911 -1.555 8.252 1.00 74.35 H new ATOM 0 HB2 GLU A 46 1.668 0.831 9.002 1.00 13.33 H new ATOM 0 HB3 GLU A 46 0.190 0.395 9.836 1.00 13.33 H new ATOM 0 HG2 GLU A 46 1.392 -1.072 11.355 1.00 64.30 H new ATOM 0 HG3 GLU A 46 2.874 -0.897 10.436 1.00 64.30 H new ATOM 728 N GLN A 47 -1.204 -2.121 9.179 1.00 61.52 N ATOM 729 CA GLN A 47 -2.089 -3.174 9.691 1.00 32.34 C ATOM 730 C GLN A 47 -1.969 -4.451 8.841 1.00 4.54 C ATOM 731 O GLN A 47 -1.762 -5.548 9.369 1.00 42.01 O ATOM 732 CB GLN A 47 -3.544 -2.685 9.721 1.00 30.53 C ATOM 733 CG GLN A 47 -3.756 -1.468 10.618 1.00 62.41 C ATOM 734 CD GLN A 47 -5.204 -1.007 10.675 1.00 11.15 C ATOM 735 OE1 GLN A 47 -5.970 -1.178 9.733 1.00 34.13 O ATOM 736 NE2 GLN A 47 -5.592 -0.406 11.784 1.00 1.42 N ATOM 0 H GLN A 47 -1.688 -1.291 8.838 1.00 61.52 H new ATOM 0 HA GLN A 47 -1.781 -3.412 10.709 1.00 32.34 H new ATOM 0 HB2 GLN A 47 -3.858 -2.439 8.707 1.00 30.53 H new ATOM 0 HB3 GLN A 47 -4.185 -3.497 10.065 1.00 30.53 H new ATOM 0 HG2 GLN A 47 -3.418 -1.706 11.627 1.00 62.41 H new ATOM 0 HG3 GLN A 47 -3.135 -0.648 10.258 1.00 62.41 H new ATOM 0 HE21 GLN A 47 -4.933 -0.277 12.552 1.00 1.42 H new ATOM 0 HE22 GLN A 47 -6.551 -0.070 11.873 1.00 1.42 H new ATOM 745 N LEU A 48 -2.081 -4.297 7.518 1.00 72.24 N ATOM 746 CA LEU A 48 -1.872 -5.414 6.584 1.00 43.02 C ATOM 747 C LEU A 48 -0.464 -6.009 6.746 1.00 52.54 C ATOM 748 O LEU A 48 -0.250 -7.207 6.545 1.00 32.42 O ATOM 749 CB LEU A 48 -2.083 -4.952 5.135 1.00 64.14 C ATOM 750 CG LEU A 48 -3.505 -4.475 4.793 1.00 53.34 C ATOM 751 CD1 LEU A 48 -3.579 -3.986 3.349 1.00 72.23 C ATOM 752 CD2 LEU A 48 -4.523 -5.590 5.039 1.00 12.44 C ATOM 0 H LEU A 48 -2.315 -3.412 7.068 1.00 72.24 H new ATOM 0 HA LEU A 48 -2.603 -6.188 6.818 1.00 43.02 H new ATOM 0 HB2 LEU A 48 -1.386 -4.141 4.926 1.00 64.14 H new ATOM 0 HB3 LEU A 48 -1.824 -5.775 4.468 1.00 64.14 H new ATOM 0 HG LEU A 48 -3.750 -3.639 5.448 1.00 53.34 H new ATOM 0 HD11 LEU A 48 -4.593 -3.654 3.129 1.00 72.23 H new ATOM 0 HD12 LEU A 48 -2.887 -3.156 3.210 1.00 72.23 H new ATOM 0 HD13 LEU A 48 -3.310 -4.799 2.675 1.00 72.23 H new ATOM 0 HD21 LEU A 48 -5.522 -5.232 4.791 1.00 12.44 H new ATOM 0 HD22 LEU A 48 -4.280 -6.449 4.414 1.00 12.44 H new ATOM 0 HD23 LEU A 48 -4.493 -5.885 6.088 1.00 12.44 H new ATOM 764 N HIS A 49 0.495 -5.161 7.110 1.00 61.12 N ATOM 765 CA HIS A 49 1.868 -5.603 7.372 1.00 31.03 C ATOM 766 C HIS A 49 1.942 -6.545 8.584 1.00 13.33 C ATOM 767 O HIS A 49 2.455 -7.659 8.488 1.00 54.24 O ATOM 768 CB HIS A 49 2.781 -4.388 7.600 1.00 72.53 C ATOM 769 CG HIS A 49 4.158 -4.746 8.073 1.00 2.33 C ATOM 770 ND1 HIS A 49 4.616 -4.466 9.340 1.00 72.13 N ATOM 771 CD2 HIS A 49 5.176 -5.373 7.442 1.00 21.10 C ATOM 772 CE1 HIS A 49 5.852 -4.905 9.466 1.00 13.24 C ATOM 773 NE2 HIS A 49 6.218 -5.462 8.330 1.00 23.33 N ATOM 0 H HIS A 49 0.348 -4.159 7.231 1.00 61.12 H new ATOM 0 HA HIS A 49 2.208 -6.156 6.496 1.00 31.03 H new ATOM 0 HB2 HIS A 49 2.861 -3.826 6.670 1.00 72.53 H new ATOM 0 HB3 HIS A 49 2.316 -3.728 8.332 1.00 72.53 H new ATOM 0 HD2 HIS A 49 5.170 -5.737 6.425 1.00 21.10 H new ATOM 0 HE1 HIS A 49 6.463 -4.822 10.353 1.00 13.24 H new ATOM 0 HE2 HIS A 49 7.125 -5.889 8.142 1.00 23.33 H new ATOM 782 N ASP A 50 1.422 -6.090 9.719 1.00 63.11 N ATOM 783 CA ASP A 50 1.546 -6.832 10.975 1.00 23.33 C ATOM 784 C ASP A 50 0.768 -8.164 10.939 1.00 34.45 C ATOM 785 O ASP A 50 1.125 -9.115 11.638 1.00 63.22 O ATOM 786 CB ASP A 50 1.079 -5.959 12.147 1.00 41.44 C ATOM 787 CG ASP A 50 1.503 -6.530 13.488 1.00 11.53 C ATOM 788 OD1 ASP A 50 2.723 -6.702 13.704 1.00 54.23 O ATOM 789 OD2 ASP A 50 0.629 -6.799 14.335 1.00 35.10 O ATOM 0 H ASP A 50 0.910 -5.211 9.798 1.00 63.11 H new ATOM 0 HA ASP A 50 2.598 -7.082 11.113 1.00 23.33 H new ATOM 0 HB2 ASP A 50 1.487 -4.955 12.036 1.00 41.44 H new ATOM 0 HB3 ASP A 50 -0.007 -5.867 12.120 1.00 41.44 H new ATOM 794 N VAL A 51 -0.283 -8.239 10.115 1.00 54.41 N ATOM 795 CA VAL A 51 -1.052 -9.485 9.956 1.00 20.33 C ATOM 796 C VAL A 51 -0.425 -10.428 8.906 1.00 51.23 C ATOM 797 O VAL A 51 -0.931 -11.527 8.664 1.00 0.32 O ATOM 798 CB VAL A 51 -2.533 -9.205 9.587 1.00 21.12 C ATOM 799 CG1 VAL A 51 -3.202 -8.337 10.653 1.00 53.24 C ATOM 800 CG2 VAL A 51 -2.642 -8.559 8.209 1.00 5.21 C ATOM 0 H VAL A 51 -0.621 -7.460 9.550 1.00 54.41 H new ATOM 0 HA VAL A 51 -1.021 -9.983 10.925 1.00 20.33 H new ATOM 0 HB VAL A 51 -3.058 -10.160 9.549 1.00 21.12 H new ATOM 0 HG11 VAL A 51 -4.240 -8.153 10.374 1.00 53.24 H new ATOM 0 HG12 VAL A 51 -3.170 -8.851 11.614 1.00 53.24 H new ATOM 0 HG13 VAL A 51 -2.674 -7.387 10.733 1.00 53.24 H new ATOM 0 HG21 VAL A 51 -3.691 -8.374 7.976 1.00 5.21 H new ATOM 0 HG22 VAL A 51 -2.097 -7.615 8.206 1.00 5.21 H new ATOM 0 HG23 VAL A 51 -2.216 -9.226 7.460 1.00 5.21 H new ATOM 810 N GLY A 52 0.674 -9.995 8.278 1.00 12.42 N ATOM 811 CA GLY A 52 1.431 -10.875 7.385 1.00 32.31 C ATOM 812 C GLY A 52 1.255 -10.590 5.893 1.00 73.44 C ATOM 813 O GLY A 52 2.041 -11.071 5.078 1.00 44.53 O ATOM 0 H GLY A 52 1.054 -9.053 8.370 1.00 12.42 H new ATOM 0 HA2 GLY A 52 2.490 -10.795 7.632 1.00 32.31 H new ATOM 0 HA3 GLY A 52 1.136 -11.906 7.580 1.00 32.31 H new ATOM 817 N VAL A 53 0.239 -9.810 5.524 1.00 73.11 N ATOM 818 CA VAL A 53 -0.049 -9.538 4.104 1.00 32.32 C ATOM 819 C VAL A 53 1.115 -8.801 3.415 1.00 45.34 C ATOM 820 O VAL A 53 1.592 -9.216 2.351 1.00 42.50 O ATOM 821 CB VAL A 53 -1.346 -8.703 3.938 1.00 14.44 C ATOM 822 CG1 VAL A 53 -1.651 -8.447 2.459 1.00 60.41 C ATOM 823 CG2 VAL A 53 -2.522 -9.392 4.623 1.00 72.22 C ATOM 0 H VAL A 53 -0.398 -9.355 6.178 1.00 73.11 H new ATOM 0 HA VAL A 53 -0.183 -10.509 3.627 1.00 32.32 H new ATOM 0 HB VAL A 53 -1.189 -7.737 4.419 1.00 14.44 H new ATOM 0 HG11 VAL A 53 -2.565 -7.860 2.372 1.00 60.41 H new ATOM 0 HG12 VAL A 53 -0.824 -7.900 2.006 1.00 60.41 H new ATOM 0 HG13 VAL A 53 -1.781 -9.399 1.944 1.00 60.41 H new ATOM 0 HG21 VAL A 53 -3.421 -8.790 4.495 1.00 72.22 H new ATOM 0 HG22 VAL A 53 -2.677 -10.375 4.178 1.00 72.22 H new ATOM 0 HG23 VAL A 53 -2.309 -9.504 5.686 1.00 72.22 H new ATOM 833 N LEU A 54 1.570 -7.709 4.026 1.00 33.14 N ATOM 834 CA LEU A 54 2.651 -6.888 3.460 1.00 61.23 C ATOM 835 C LEU A 54 3.909 -6.920 4.344 1.00 32.14 C ATOM 836 O LEU A 54 3.826 -7.138 5.553 1.00 64.41 O ATOM 837 CB LEU A 54 2.178 -5.436 3.293 1.00 43.42 C ATOM 838 CG LEU A 54 0.974 -5.236 2.355 1.00 2.42 C ATOM 839 CD1 LEU A 54 0.554 -3.770 2.321 1.00 43.54 C ATOM 840 CD2 LEU A 54 1.293 -5.740 0.949 1.00 61.54 C ATOM 0 H LEU A 54 1.209 -7.367 4.916 1.00 33.14 H new ATOM 0 HA LEU A 54 2.908 -7.307 2.487 1.00 61.23 H new ATOM 0 HB2 LEU A 54 1.921 -5.041 4.276 1.00 43.42 H new ATOM 0 HB3 LEU A 54 3.011 -4.841 2.918 1.00 43.42 H new ATOM 0 HG LEU A 54 0.140 -5.820 2.744 1.00 2.42 H new ATOM 0 HD11 LEU A 54 -0.298 -3.651 1.652 1.00 43.54 H new ATOM 0 HD12 LEU A 54 0.276 -3.448 3.324 1.00 43.54 H new ATOM 0 HD13 LEU A 54 1.384 -3.162 1.962 1.00 43.54 H new ATOM 0 HD21 LEU A 54 0.428 -5.589 0.303 1.00 61.54 H new ATOM 0 HD22 LEU A 54 2.145 -5.189 0.550 1.00 61.54 H new ATOM 0 HD23 LEU A 54 1.534 -6.802 0.989 1.00 61.54 H new ATOM 852 N GLU A 55 5.070 -6.691 3.736 1.00 0.55 N ATOM 853 CA GLU A 55 6.339 -6.616 4.471 1.00 22.32 C ATOM 854 C GLU A 55 7.024 -5.256 4.251 1.00 43.22 C ATOM 855 O GLU A 55 6.918 -4.652 3.180 1.00 4.00 O ATOM 856 CB GLU A 55 7.283 -7.758 4.058 1.00 42.12 C ATOM 857 CG GLU A 55 8.643 -7.737 4.764 1.00 41.43 C ATOM 858 CD GLU A 55 8.552 -7.937 6.279 1.00 2.42 C ATOM 859 OE1 GLU A 55 8.301 -6.948 7.011 1.00 24.03 O ATOM 860 OE2 GLU A 55 8.743 -9.078 6.742 1.00 20.31 O ATOM 0 H GLU A 55 5.163 -6.553 2.730 1.00 0.55 H new ATOM 0 HA GLU A 55 6.112 -6.721 5.532 1.00 22.32 H new ATOM 0 HB2 GLU A 55 6.794 -8.710 4.264 1.00 42.12 H new ATOM 0 HB3 GLU A 55 7.445 -7.709 2.981 1.00 42.12 H new ATOM 0 HG2 GLU A 55 9.275 -8.518 4.340 1.00 41.43 H new ATOM 0 HG3 GLU A 55 9.134 -6.785 4.561 1.00 41.43 H new ATOM 867 N LYS A 56 7.731 -4.794 5.282 1.00 71.01 N ATOM 868 CA LYS A 56 8.414 -3.500 5.264 1.00 14.02 C ATOM 869 C LYS A 56 9.778 -3.580 4.545 1.00 71.41 C ATOM 870 O LYS A 56 10.792 -3.966 5.132 1.00 43.21 O ATOM 871 CB LYS A 56 8.591 -3.008 6.714 1.00 3.12 C ATOM 872 CG LYS A 56 9.379 -3.980 7.594 1.00 41.23 C ATOM 873 CD LYS A 56 9.362 -3.599 9.068 1.00 53.41 C ATOM 874 CE LYS A 56 10.254 -4.525 9.892 1.00 15.51 C ATOM 875 NZ LYS A 56 9.922 -5.964 9.688 1.00 21.43 N ATOM 0 H LYS A 56 7.847 -5.308 6.156 1.00 71.01 H new ATOM 0 HA LYS A 56 7.804 -2.791 4.704 1.00 14.02 H new ATOM 0 HB2 LYS A 56 9.101 -2.045 6.703 1.00 3.12 H new ATOM 0 HB3 LYS A 56 7.608 -2.844 7.157 1.00 3.12 H new ATOM 0 HG2 LYS A 56 8.965 -4.982 7.479 1.00 41.23 H new ATOM 0 HG3 LYS A 56 10.412 -4.020 7.247 1.00 41.23 H new ATOM 0 HD2 LYS A 56 9.699 -2.569 9.183 1.00 53.41 H new ATOM 0 HD3 LYS A 56 8.340 -3.644 9.446 1.00 53.41 H new ATOM 0 HE2 LYS A 56 11.297 -4.354 9.624 1.00 15.51 H new ATOM 0 HE3 LYS A 56 10.152 -4.278 10.949 1.00 15.51 H new ATOM 0 HZ1 LYS A 56 10.445 -6.542 10.376 1.00 21.43 H new ATOM 0 HZ2 LYS A 56 8.901 -6.107 9.821 1.00 21.43 H new ATOM 0 HZ3 LYS A 56 10.188 -6.248 8.724 1.00 21.43 H new ATOM 889 N VAL A 57 9.798 -3.240 3.262 1.00 75.51 N ATOM 890 CA VAL A 57 11.054 -3.172 2.512 1.00 12.54 C ATOM 891 C VAL A 57 11.708 -1.794 2.700 1.00 63.32 C ATOM 892 O VAL A 57 11.520 -0.876 1.897 1.00 23.11 O ATOM 893 CB VAL A 57 10.847 -3.464 1.002 1.00 11.24 C ATOM 894 CG1 VAL A 57 12.186 -3.482 0.263 1.00 14.41 C ATOM 895 CG2 VAL A 57 10.097 -4.781 0.806 1.00 61.10 C ATOM 0 H VAL A 57 8.967 -3.008 2.719 1.00 75.51 H new ATOM 0 HA VAL A 57 11.714 -3.944 2.907 1.00 12.54 H new ATOM 0 HB VAL A 57 10.241 -2.663 0.579 1.00 11.24 H new ATOM 0 HG11 VAL A 57 12.016 -3.689 -0.794 1.00 14.41 H new ATOM 0 HG12 VAL A 57 12.673 -2.513 0.369 1.00 14.41 H new ATOM 0 HG13 VAL A 57 12.825 -4.258 0.686 1.00 14.41 H new ATOM 0 HG21 VAL A 57 9.962 -4.968 -0.259 1.00 61.10 H new ATOM 0 HG22 VAL A 57 10.671 -5.596 1.247 1.00 61.10 H new ATOM 0 HG23 VAL A 57 9.122 -4.720 1.290 1.00 61.10 H new ATOM 905 N ASN A 58 12.448 -1.644 3.791 1.00 44.50 N ATOM 906 CA ASN A 58 13.075 -0.365 4.125 1.00 63.51 C ATOM 907 C ASN A 58 14.320 -0.554 5.003 1.00 11.13 C ATOM 908 O ASN A 58 14.426 -1.527 5.753 1.00 25.55 O ATOM 909 CB ASN A 58 12.070 0.544 4.844 1.00 55.40 C ATOM 910 CG ASN A 58 11.588 -0.035 6.167 1.00 41.02 C ATOM 911 OD1 ASN A 58 11.527 -1.246 6.352 1.00 74.03 O ATOM 912 ND2 ASN A 58 11.246 0.829 7.103 1.00 42.14 N ATOM 0 H ASN A 58 12.631 -2.390 4.462 1.00 44.50 H new ATOM 0 HA ASN A 58 13.389 0.101 3.191 1.00 63.51 H new ATOM 0 HB2 ASN A 58 12.531 1.515 5.025 1.00 55.40 H new ATOM 0 HB3 ASN A 58 11.212 0.714 4.194 1.00 55.40 H new ATOM 0 HD21 ASN A 58 10.920 0.496 8.010 1.00 42.14 H new ATOM 0 HD22 ASN A 58 11.307 1.830 6.920 1.00 42.14 H new ATOM 919 N ALA A 59 15.256 0.387 4.905 1.00 40.31 N ATOM 920 CA ALA A 59 16.449 0.381 5.758 1.00 70.42 C ATOM 921 C ALA A 59 16.085 0.636 7.230 1.00 52.30 C ATOM 922 O ALA A 59 16.730 0.114 8.140 1.00 62.34 O ATOM 923 CB ALA A 59 17.451 1.422 5.269 1.00 3.55 C ATOM 0 H ALA A 59 15.215 1.164 4.245 1.00 40.31 H new ATOM 0 HA ALA A 59 16.905 -0.607 5.694 1.00 70.42 H new ATOM 0 HB1 ALA A 59 18.332 1.408 5.910 1.00 3.55 H new ATOM 0 HB2 ALA A 59 17.744 1.192 4.245 1.00 3.55 H new ATOM 0 HB3 ALA A 59 16.994 2.411 5.302 1.00 3.55 H new ATOM 929 N GLY A 60 15.050 1.444 7.451 1.00 65.51 N ATOM 930 CA GLY A 60 14.595 1.751 8.804 1.00 15.12 C ATOM 931 C GLY A 60 13.932 3.122 8.911 1.00 45.33 C ATOM 932 O GLY A 60 12.848 3.339 8.366 1.00 54.12 O ATOM 0 H GLY A 60 14.512 1.897 6.712 1.00 65.51 H new ATOM 0 HA2 GLY A 60 13.889 0.986 9.127 1.00 15.12 H new ATOM 0 HA3 GLY A 60 15.444 1.710 9.486 1.00 15.12 H new ATOM 936 N LYS A 61 14.582 4.046 9.616 1.00 23.41 N ATOM 937 CA LYS A 61 14.074 5.417 9.770 1.00 12.25 C ATOM 938 C LYS A 61 14.739 6.368 8.760 1.00 20.41 C ATOM 939 O LYS A 61 15.865 6.134 8.313 1.00 14.34 O ATOM 940 CB LYS A 61 14.307 5.929 11.204 1.00 23.43 C ATOM 941 CG LYS A 61 13.441 5.254 12.270 1.00 25.22 C ATOM 942 CD LYS A 61 13.820 3.789 12.494 1.00 3.13 C ATOM 943 CE LYS A 61 12.936 3.127 13.547 1.00 0.01 C ATOM 944 NZ LYS A 61 13.342 1.723 13.817 1.00 43.32 N ATOM 0 H LYS A 61 15.467 3.873 10.094 1.00 23.41 H new ATOM 0 HA LYS A 61 13.002 5.396 9.574 1.00 12.25 H new ATOM 0 HB2 LYS A 61 15.356 5.784 11.462 1.00 23.43 H new ATOM 0 HB3 LYS A 61 14.119 7.002 11.228 1.00 23.43 H new ATOM 0 HG2 LYS A 61 13.538 5.798 13.209 1.00 25.22 H new ATOM 0 HG3 LYS A 61 12.394 5.313 11.973 1.00 25.22 H new ATOM 0 HD2 LYS A 61 13.735 3.244 11.554 1.00 3.13 H new ATOM 0 HD3 LYS A 61 14.863 3.727 12.805 1.00 3.13 H new ATOM 0 HE2 LYS A 61 12.983 3.702 14.472 1.00 0.01 H new ATOM 0 HE3 LYS A 61 11.899 3.146 13.212 1.00 0.01 H new ATOM 0 HZ1 LYS A 61 12.715 1.313 14.538 1.00 43.32 H new ATOM 0 HZ2 LYS A 61 13.273 1.167 12.941 1.00 43.32 H new ATOM 0 HZ3 LYS A 61 14.323 1.705 14.161 1.00 43.32 H new ATOM 958 N GLY A 62 14.036 7.444 8.405 1.00 23.01 N ATOM 959 CA GLY A 62 14.555 8.402 7.433 1.00 51.13 C ATOM 960 C GLY A 62 14.272 8.010 5.984 1.00 34.30 C ATOM 961 O GLY A 62 14.725 8.679 5.054 1.00 23.13 O ATOM 0 H GLY A 62 13.113 7.672 8.774 1.00 23.01 H new ATOM 0 HA2 GLY A 62 14.117 9.381 7.629 1.00 51.13 H new ATOM 0 HA3 GLY A 62 15.632 8.501 7.571 1.00 51.13 H new ATOM 965 N VAL A 63 13.521 6.931 5.788 1.00 63.23 N ATOM 966 CA VAL A 63 13.197 6.441 4.441 1.00 43.21 C ATOM 967 C VAL A 63 11.678 6.444 4.186 1.00 55.53 C ATOM 968 O VAL A 63 10.886 6.203 5.100 1.00 1.13 O ATOM 969 CB VAL A 63 13.757 5.010 4.214 1.00 21.43 C ATOM 970 CG1 VAL A 63 15.287 5.009 4.272 1.00 60.13 C ATOM 971 CG2 VAL A 63 13.177 4.028 5.231 1.00 55.23 C ATOM 0 H VAL A 63 13.122 6.374 6.543 1.00 63.23 H new ATOM 0 HA VAL A 63 13.670 7.124 3.735 1.00 43.21 H new ATOM 0 HB VAL A 63 13.453 4.684 3.219 1.00 21.43 H new ATOM 0 HG11 VAL A 63 15.657 3.996 4.110 1.00 60.13 H new ATOM 0 HG12 VAL A 63 15.681 5.667 3.497 1.00 60.13 H new ATOM 0 HG13 VAL A 63 15.614 5.363 5.250 1.00 60.13 H new ATOM 0 HG21 VAL A 63 13.585 3.034 5.050 1.00 55.23 H new ATOM 0 HG22 VAL A 63 13.440 4.350 6.239 1.00 55.23 H new ATOM 0 HG23 VAL A 63 12.092 3.999 5.131 1.00 55.23 H new ATOM 981 N PRO A 64 11.246 6.720 2.933 1.00 3.21 N ATOM 982 CA PRO A 64 9.810 6.761 2.568 1.00 32.04 C ATOM 983 C PRO A 64 9.083 5.427 2.811 1.00 20.54 C ATOM 984 O PRO A 64 7.863 5.394 2.988 1.00 31.35 O ATOM 985 CB PRO A 64 9.831 7.100 1.064 1.00 31.03 C ATOM 986 CG PRO A 64 11.168 7.714 0.824 1.00 12.40 C ATOM 987 CD PRO A 64 12.110 7.025 1.773 1.00 15.32 C ATOM 0 HA PRO A 64 9.265 7.482 3.178 1.00 32.04 H new ATOM 0 HB2 PRO A 64 9.693 6.206 0.456 1.00 31.03 H new ATOM 0 HB3 PRO A 64 9.028 7.790 0.804 1.00 31.03 H new ATOM 0 HG2 PRO A 64 11.483 7.574 -0.210 1.00 12.40 H new ATOM 0 HG3 PRO A 64 11.144 8.788 1.008 1.00 12.40 H new ATOM 0 HD2 PRO A 64 12.534 6.121 1.336 1.00 15.32 H new ATOM 0 HD3 PRO A 64 12.946 7.667 2.050 1.00 15.32 H new ATOM 995 N GLY A 65 9.842 4.331 2.810 1.00 60.50 N ATOM 996 CA GLY A 65 9.266 3.013 3.049 1.00 34.32 C ATOM 997 C GLY A 65 8.709 2.359 1.786 1.00 3.02 C ATOM 998 O GLY A 65 7.880 2.945 1.084 1.00 34.51 O ATOM 0 H GLY A 65 10.849 4.332 2.647 1.00 60.50 H new ATOM 0 HA2 GLY A 65 10.028 2.364 3.480 1.00 34.32 H new ATOM 0 HA3 GLY A 65 8.468 3.101 3.786 1.00 34.32 H new ATOM 1002 N LEU A 66 9.179 1.151 1.487 1.00 51.30 N ATOM 1003 CA LEU A 66 8.693 0.386 0.337 1.00 11.52 C ATOM 1004 C LEU A 66 7.907 -0.850 0.801 1.00 35.30 C ATOM 1005 O LEU A 66 8.326 -1.559 1.716 1.00 31.22 O ATOM 1006 CB LEU A 66 9.873 -0.034 -0.547 1.00 20.42 C ATOM 1007 CG LEU A 66 10.712 1.123 -1.120 1.00 13.31 C ATOM 1008 CD1 LEU A 66 11.946 0.595 -1.854 1.00 43.33 C ATOM 1009 CD2 LEU A 66 9.861 1.992 -2.044 1.00 33.11 C ATOM 0 H LEU A 66 9.901 0.676 2.028 1.00 51.30 H new ATOM 0 HA LEU A 66 8.022 1.018 -0.244 1.00 11.52 H new ATOM 0 HB2 LEU A 66 10.528 -0.682 0.035 1.00 20.42 H new ATOM 0 HB3 LEU A 66 9.490 -0.629 -1.376 1.00 20.42 H new ATOM 0 HG LEU A 66 11.057 1.738 -0.289 1.00 13.31 H new ATOM 0 HD11 LEU A 66 12.521 1.433 -2.249 1.00 43.33 H new ATOM 0 HD12 LEU A 66 12.565 0.025 -1.161 1.00 43.33 H new ATOM 0 HD13 LEU A 66 11.633 -0.049 -2.676 1.00 43.33 H new ATOM 0 HD21 LEU A 66 10.469 2.805 -2.441 1.00 33.11 H new ATOM 0 HD22 LEU A 66 9.484 1.386 -2.868 1.00 33.11 H new ATOM 0 HD23 LEU A 66 9.022 2.406 -1.484 1.00 33.11 H new ATOM 1021 N TRP A 67 6.771 -1.107 0.163 1.00 2.41 N ATOM 1022 CA TRP A 67 5.883 -2.199 0.579 1.00 62.43 C ATOM 1023 C TRP A 67 5.845 -3.340 -0.450 1.00 42.12 C ATOM 1024 O TRP A 67 5.702 -3.114 -1.656 1.00 60.24 O ATOM 1025 CB TRP A 67 4.473 -1.654 0.832 1.00 52.50 C ATOM 1026 CG TRP A 67 4.452 -0.569 1.868 1.00 1.34 C ATOM 1027 CD1 TRP A 67 4.579 0.774 1.653 1.00 64.25 C ATOM 1028 CD2 TRP A 67 4.320 -0.738 3.287 1.00 61.41 C ATOM 1029 NE1 TRP A 67 4.528 1.449 2.846 1.00 32.33 N ATOM 1030 CE2 TRP A 67 4.368 0.545 3.863 1.00 55.31 C ATOM 1031 CE3 TRP A 67 4.158 -1.846 4.123 1.00 25.32 C ATOM 1032 CZ2 TRP A 67 4.270 0.749 5.237 1.00 3.42 C ATOM 1033 CZ3 TRP A 67 4.062 -1.642 5.487 1.00 12.45 C ATOM 1034 CH2 TRP A 67 4.113 -0.354 6.031 1.00 11.52 C ATOM 0 H TRP A 67 6.439 -0.578 -0.643 1.00 2.41 H new ATOM 0 HA TRP A 67 6.281 -2.618 1.503 1.00 62.43 H new ATOM 0 HB2 TRP A 67 4.064 -1.268 -0.102 1.00 52.50 H new ATOM 0 HB3 TRP A 67 3.824 -2.469 1.152 1.00 52.50 H new ATOM 0 HD1 TRP A 67 4.702 1.237 0.685 1.00 64.25 H new ATOM 0 HE1 TRP A 67 4.598 2.460 2.958 1.00 32.33 H new ATOM 0 HE3 TRP A 67 4.109 -2.843 3.711 1.00 25.32 H new ATOM 0 HZ2 TRP A 67 4.316 1.742 5.660 1.00 3.42 H new ATOM 0 HZ3 TRP A 67 3.946 -2.491 6.144 1.00 12.45 H new ATOM 0 HH2 TRP A 67 4.027 -0.228 7.100 1.00 11.52 H new ATOM 1045 N ARG A 68 5.980 -4.569 0.044 1.00 61.42 N ATOM 1046 CA ARG A 68 5.952 -5.772 -0.799 1.00 71.22 C ATOM 1047 C ARG A 68 5.107 -6.876 -0.149 1.00 32.51 C ATOM 1048 O ARG A 68 5.187 -7.097 1.055 1.00 41.52 O ATOM 1049 CB ARG A 68 7.386 -6.269 -1.042 1.00 25.15 C ATOM 1050 CG ARG A 68 7.474 -7.655 -1.678 1.00 60.34 C ATOM 1051 CD ARG A 68 8.914 -8.047 -1.994 1.00 31.54 C ATOM 1052 NE ARG A 68 9.020 -9.433 -2.446 1.00 3.43 N ATOM 1053 CZ ARG A 68 9.987 -9.895 -3.193 1.00 43.13 C ATOM 1054 NH1 ARG A 68 10.925 -9.111 -3.624 1.00 54.52 N ATOM 1055 NH2 ARG A 68 10.010 -11.145 -3.508 1.00 73.15 N ATOM 0 H ARG A 68 6.112 -4.763 1.037 1.00 61.42 H new ATOM 0 HA ARG A 68 5.495 -5.517 -1.755 1.00 71.22 H new ATOM 0 HB2 ARG A 68 7.901 -5.555 -1.684 1.00 25.15 H new ATOM 0 HB3 ARG A 68 7.918 -6.285 -0.091 1.00 25.15 H new ATOM 0 HG2 ARG A 68 7.037 -8.392 -1.004 1.00 60.34 H new ATOM 0 HG3 ARG A 68 6.884 -7.672 -2.594 1.00 60.34 H new ATOM 0 HD2 ARG A 68 9.309 -7.384 -2.764 1.00 31.54 H new ATOM 0 HD3 ARG A 68 9.530 -7.908 -1.106 1.00 31.54 H new ATOM 0 HE ARG A 68 8.289 -10.084 -2.159 1.00 3.43 H new ATOM 0 HH11 ARG A 68 10.914 -8.121 -3.381 1.00 54.52 H new ATOM 0 HH12 ARG A 68 11.674 -9.485 -4.207 1.00 54.52 H new ATOM 0 HH21 ARG A 68 9.275 -11.769 -3.174 1.00 73.15 H new ATOM 0 HH22 ARG A 68 10.763 -11.510 -4.091 1.00 73.15 H new ATOM 1069 N LEU A 69 4.297 -7.570 -0.946 1.00 72.22 N ATOM 1070 CA LEU A 69 3.443 -8.645 -0.425 1.00 51.30 C ATOM 1071 C LEU A 69 4.210 -9.973 -0.305 1.00 34.51 C ATOM 1072 O LEU A 69 5.183 -10.207 -1.024 1.00 74.54 O ATOM 1073 CB LEU A 69 2.177 -8.806 -1.300 1.00 45.02 C ATOM 1074 CG LEU A 69 2.392 -8.849 -2.832 1.00 15.23 C ATOM 1075 CD1 LEU A 69 3.025 -10.165 -3.285 1.00 31.41 C ATOM 1076 CD2 LEU A 69 1.073 -8.608 -3.564 1.00 54.45 C ATOM 0 H LEU A 69 4.211 -7.412 -1.950 1.00 72.22 H new ATOM 0 HA LEU A 69 3.130 -8.364 0.581 1.00 51.30 H new ATOM 0 HB2 LEU A 69 1.672 -9.724 -1.001 1.00 45.02 H new ATOM 0 HB3 LEU A 69 1.500 -7.982 -1.074 1.00 45.02 H new ATOM 0 HG LEU A 69 3.088 -8.050 -3.086 1.00 15.23 H new ATOM 0 HD11 LEU A 69 3.158 -10.152 -4.367 1.00 31.41 H new ATOM 0 HD12 LEU A 69 3.994 -10.288 -2.802 1.00 31.41 H new ATOM 0 HD13 LEU A 69 2.375 -10.995 -3.010 1.00 31.41 H new ATOM 0 HD21 LEU A 69 1.243 -8.642 -4.640 1.00 54.45 H new ATOM 0 HD22 LEU A 69 0.356 -9.380 -3.285 1.00 54.45 H new ATOM 0 HD23 LEU A 69 0.678 -7.630 -3.289 1.00 54.45 H new ATOM 1088 N LEU A 70 3.775 -10.834 0.616 1.00 10.41 N ATOM 1089 CA LEU A 70 4.425 -12.136 0.816 1.00 21.35 C ATOM 1090 C LEU A 70 3.410 -13.241 1.153 1.00 50.32 C ATOM 1091 O LEU A 70 3.419 -14.308 0.531 1.00 23.24 O ATOM 1092 CB LEU A 70 5.520 -12.056 1.905 1.00 33.15 C ATOM 1093 CG LEU A 70 5.060 -11.672 3.328 1.00 14.42 C ATOM 1094 CD1 LEU A 70 6.182 -11.902 4.337 1.00 42.43 C ATOM 1095 CD2 LEU A 70 4.592 -10.221 3.384 1.00 2.14 C ATOM 0 H LEU A 70 2.982 -10.658 1.233 1.00 10.41 H new ATOM 0 HA LEU A 70 4.899 -12.400 -0.130 1.00 21.35 H new ATOM 0 HB2 LEU A 70 6.017 -13.024 1.959 1.00 33.15 H new ATOM 0 HB3 LEU A 70 6.268 -11.331 1.582 1.00 33.15 H new ATOM 0 HG LEU A 70 4.217 -12.312 3.588 1.00 14.42 H new ATOM 0 HD11 LEU A 70 5.838 -11.625 5.333 1.00 42.43 H new ATOM 0 HD12 LEU A 70 6.467 -12.954 4.331 1.00 42.43 H new ATOM 0 HD13 LEU A 70 7.044 -11.291 4.068 1.00 42.43 H new ATOM 0 HD21 LEU A 70 4.274 -9.980 4.398 1.00 2.14 H new ATOM 0 HD22 LEU A 70 5.411 -9.563 3.094 1.00 2.14 H new ATOM 0 HD23 LEU A 70 3.755 -10.082 2.699 1.00 2.14 H new ATOM 1107 N GLU A 71 2.528 -12.992 2.126 1.00 71.05 N ATOM 1108 CA GLU A 71 1.516 -13.985 2.530 1.00 43.14 C ATOM 1109 C GLU A 71 0.141 -13.704 1.879 1.00 73.23 C ATOM 1110 O GLU A 71 -0.115 -14.232 0.770 1.00 37.66 O ATOM 1111 CB GLU A 71 1.386 -14.023 4.063 1.00 52.14 C ATOM 1112 CG GLU A 71 2.701 -14.272 4.801 1.00 22.20 C ATOM 1113 CD GLU A 71 3.409 -15.539 4.344 1.00 42.42 C ATOM 1114 OE1 GLU A 71 2.939 -16.645 4.681 1.00 45.31 O ATOM 1115 OE2 GLU A 71 4.444 -15.439 3.646 1.00 62.30 O ATOM 0 H GLU A 71 2.491 -12.117 2.649 1.00 71.05 H new ATOM 0 HA GLU A 71 1.853 -14.960 2.176 1.00 43.14 H new ATOM 0 HB2 GLU A 71 0.966 -13.077 4.404 1.00 52.14 H new ATOM 0 HB3 GLU A 71 0.676 -14.804 4.336 1.00 52.14 H new ATOM 0 HG2 GLU A 71 3.362 -13.419 4.651 1.00 22.20 H new ATOM 0 HG3 GLU A 71 2.504 -14.338 5.871 1.00 22.20 H new TER 1122 GLU A 71