USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 67 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 9 THR OG1 : rot -71:sc= 0.0922 USER MOD Set 2.2: A 12 GLN : amide:sc= -0.138 K(o=-0.046,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -105:sc= -0.182 (180deg=-1.23) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.45 K(o=0.45,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6.1!) USER MOD Single : A 25 LYS NZ :NH3+ -104:sc= 1.22 (180deg=-0.399) USER MOD Single : A 26 HIS : no HE2:sc= -1.66 X(o=-1.7,f=-2) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 73:sc= 0.257 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.931 K(o=-0.93,f=-5!) USER MOD Single : A 46 THR OG1 : rot 74:sc= 1.34 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0645) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 60 SER OG : rot 72:sc= 1.01 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00824 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.732 7.181 -18.820 1.00 0.00 N ATOM 2 CA GLY A 1 1.578 6.244 -18.908 1.00 0.00 C ATOM 3 C GLY A 1 1.256 5.593 -17.577 1.00 0.00 C ATOM 4 O GLY A 1 1.368 4.377 -17.430 1.00 0.00 O ATOM 0 H1 GLY A 1 2.912 7.599 -19.755 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.515 7.936 -18.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.577 6.663 -18.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.702 6.785 -19.266 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.798 5.470 -19.644 1.00 0.00 H new ATOM 10 N SER A 2 0.856 6.407 -16.604 1.00 0.00 N ATOM 11 CA SER A 2 0.517 5.902 -15.279 1.00 0.00 C ATOM 12 C SER A 2 -0.877 6.362 -14.862 1.00 0.00 C ATOM 13 O SER A 2 -1.334 7.432 -15.262 1.00 0.00 O ATOM 14 CB SER A 2 1.549 6.374 -14.252 1.00 0.00 C ATOM 15 OG SER A 2 1.721 7.779 -14.308 1.00 0.00 O ATOM 0 H SER A 2 0.759 7.417 -16.709 1.00 0.00 H new ATOM 0 HA SER A 2 0.525 4.813 -15.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.229 6.084 -13.251 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.503 5.880 -14.438 1.00 0.00 H new ATOM 0 HG SER A 2 2.384 8.054 -13.641 1.00 0.00 H new ATOM 21 N GLU A 3 -1.547 5.544 -14.055 1.00 0.00 N ATOM 22 CA GLU A 3 -2.889 5.868 -13.585 1.00 0.00 C ATOM 23 C GLU A 3 -3.114 5.330 -12.175 1.00 0.00 C ATOM 24 O GLU A 3 -2.463 4.374 -11.753 1.00 0.00 O ATOM 25 CB GLU A 3 -3.939 5.290 -14.536 1.00 0.00 C ATOM 26 CG GLU A 3 -5.335 5.848 -14.312 1.00 0.00 C ATOM 27 CD GLU A 3 -6.377 5.180 -15.188 1.00 0.00 C ATOM 28 OE1 GLU A 3 -6.126 4.047 -15.649 1.00 0.00 O ATOM 29 OE2 GLU A 3 -7.444 5.790 -15.412 1.00 0.00 O ATOM 0 H GLU A 3 -1.183 4.654 -13.714 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.988 6.953 -13.562 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.637 5.492 -15.564 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.967 4.207 -14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.610 5.720 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.330 6.920 -14.512 1.00 0.00 H new ATOM 36 N GLY A 4 -4.039 5.951 -11.451 1.00 0.00 N ATOM 37 CA GLY A 4 -4.333 5.522 -10.097 1.00 0.00 C ATOM 38 C GLY A 4 -5.604 4.699 -10.012 1.00 0.00 C ATOM 39 O GLY A 4 -6.659 5.124 -10.481 1.00 0.00 O ATOM 0 H GLY A 4 -4.590 6.744 -11.778 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.498 4.935 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.427 6.397 -9.454 1.00 0.00 H new ATOM 43 N ALA A 5 -5.502 3.517 -9.412 1.00 0.00 N ATOM 44 CA ALA A 5 -6.652 2.633 -9.267 1.00 0.00 C ATOM 45 C ALA A 5 -6.750 2.088 -7.846 1.00 0.00 C ATOM 46 O ALA A 5 -5.963 1.232 -7.444 1.00 0.00 O ATOM 47 CB ALA A 5 -6.566 1.490 -10.268 1.00 0.00 C ATOM 0 H ALA A 5 -4.635 3.150 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.553 3.212 -9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.431 0.837 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.552 1.893 -11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.654 0.920 -10.092 1.00 0.00 H new ATOM 53 N ALA A 6 -7.722 2.591 -7.092 1.00 0.00 N ATOM 54 CA ALA A 6 -7.923 2.155 -5.715 1.00 0.00 C ATOM 55 C ALA A 6 -9.406 1.994 -5.402 1.00 0.00 C ATOM 56 O ALA A 6 -10.218 2.857 -5.738 1.00 0.00 O ATOM 57 CB ALA A 6 -7.281 3.140 -4.751 1.00 0.00 C ATOM 0 H ALA A 6 -8.382 3.300 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.446 1.183 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.439 2.802 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.211 3.201 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.732 4.124 -4.882 1.00 0.00 H new ATOM 63 N THR A 7 -9.753 0.887 -4.756 1.00 0.00 N ATOM 64 CA THR A 7 -11.139 0.613 -4.397 1.00 0.00 C ATOM 65 C THR A 7 -11.460 1.153 -3.007 1.00 0.00 C ATOM 66 O THR A 7 -12.600 1.513 -2.717 1.00 0.00 O ATOM 67 CB THR A 7 -11.415 -0.891 -4.448 1.00 0.00 C ATOM 68 OG1 THR A 7 -12.690 -1.186 -3.906 1.00 0.00 O ATOM 69 CG2 THR A 7 -10.393 -1.712 -3.693 1.00 0.00 C ATOM 0 H THR A 7 -9.093 0.164 -4.470 1.00 0.00 H new ATOM 0 HA THR A 7 -11.780 1.118 -5.120 1.00 0.00 H new ATOM 0 HB THR A 7 -11.364 -1.159 -5.503 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.848 -2.152 -3.949 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.647 -2.769 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.404 -1.545 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.390 -1.414 -2.644 1.00 0.00 H new ATOM 77 N MET A 8 -10.445 1.206 -2.148 1.00 0.00 N ATOM 78 CA MET A 8 -10.621 1.701 -0.787 1.00 0.00 C ATOM 79 C MET A 8 -11.152 3.132 -0.791 1.00 0.00 C ATOM 80 O MET A 8 -11.315 3.741 -1.849 1.00 0.00 O ATOM 81 CB MET A 8 -9.295 1.641 -0.025 1.00 0.00 C ATOM 82 CG MET A 8 -8.867 0.229 0.338 1.00 0.00 C ATOM 83 SD MET A 8 -7.628 -0.436 -0.791 1.00 0.00 S ATOM 84 CE MET A 8 -6.696 -1.494 0.313 1.00 0.00 C ATOM 0 H MET A 8 -9.494 0.913 -2.371 1.00 0.00 H new ATOM 0 HA MET A 8 -11.350 1.063 -0.288 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.516 2.104 -0.631 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.382 2.231 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.468 0.224 1.352 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.741 -0.423 0.336 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.744 -1.021 0.552 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.263 -1.652 1.230 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.513 -2.453 -0.171 1.00 0.00 H new ATOM 94 N THR A 9 -11.420 3.661 0.398 1.00 0.00 N ATOM 95 CA THR A 9 -11.933 5.019 0.531 1.00 0.00 C ATOM 96 C THR A 9 -10.848 5.963 1.042 1.00 0.00 C ATOM 97 O THR A 9 -9.746 5.532 1.379 1.00 0.00 O ATOM 98 CB THR A 9 -13.133 5.043 1.479 1.00 0.00 C ATOM 99 OG1 THR A 9 -12.712 4.906 2.824 1.00 0.00 O ATOM 100 CG2 THR A 9 -14.138 3.947 1.199 1.00 0.00 C ATOM 0 H THR A 9 -11.290 3.170 1.283 1.00 0.00 H new ATOM 0 HA THR A 9 -12.251 5.359 -0.455 1.00 0.00 H new ATOM 0 HB THR A 9 -13.614 6.007 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.403 3.989 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.964 4.021 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.520 4.054 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 9 -13.656 2.975 1.305 1.00 0.00 H new ATOM 108 N GLU A 10 -11.170 7.251 1.098 1.00 0.00 N ATOM 109 CA GLU A 10 -10.222 8.256 1.568 1.00 0.00 C ATOM 110 C GLU A 10 -9.762 7.948 2.989 1.00 0.00 C ATOM 111 O GLU A 10 -8.632 8.257 3.367 1.00 0.00 O ATOM 112 CB GLU A 10 -10.855 9.649 1.512 1.00 0.00 C ATOM 113 CG GLU A 10 -10.432 10.461 0.298 1.00 0.00 C ATOM 114 CD GLU A 10 -11.589 10.760 -0.637 1.00 0.00 C ATOM 115 OE1 GLU A 10 -12.120 9.808 -1.248 1.00 0.00 O ATOM 116 OE2 GLU A 10 -11.963 11.945 -0.759 1.00 0.00 O ATOM 0 H GLU A 10 -12.079 7.624 0.824 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.351 8.234 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.940 9.546 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.589 10.197 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.987 11.399 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.661 9.917 -0.247 1.00 0.00 H new ATOM 123 N ASP A 11 -10.644 7.336 3.773 1.00 0.00 N ATOM 124 CA ASP A 11 -10.327 6.986 5.152 1.00 0.00 C ATOM 125 C ASP A 11 -9.313 5.848 5.205 1.00 0.00 C ATOM 126 O ASP A 11 -8.477 5.790 6.106 1.00 0.00 O ATOM 127 CB ASP A 11 -11.600 6.588 5.905 1.00 0.00 C ATOM 128 CG ASP A 11 -12.217 7.753 6.653 1.00 0.00 C ATOM 129 OD1 ASP A 11 -11.711 8.093 7.743 1.00 0.00 O ATOM 130 OD2 ASP A 11 -13.205 8.324 6.149 1.00 0.00 O ATOM 0 H ASP A 11 -11.584 7.072 3.476 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.889 7.861 5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.327 6.188 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.367 5.790 6.610 1.00 0.00 H new ATOM 135 N GLN A 12 -9.393 4.944 4.234 1.00 0.00 N ATOM 136 CA GLN A 12 -8.482 3.808 4.171 1.00 0.00 C ATOM 137 C GLN A 12 -7.138 4.221 3.580 1.00 0.00 C ATOM 138 O GLN A 12 -6.083 3.934 4.148 1.00 0.00 O ATOM 139 CB GLN A 12 -9.097 2.679 3.339 1.00 0.00 C ATOM 140 CG GLN A 12 -9.643 1.533 4.177 1.00 0.00 C ATOM 141 CD GLN A 12 -11.145 1.378 4.048 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.750 1.854 3.088 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.757 0.706 5.017 1.00 0.00 N ATOM 0 H GLN A 12 -10.079 4.976 3.480 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.316 3.450 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.902 3.087 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.342 2.291 2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.159 0.604 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.388 1.700 5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.217 0.328 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.767 0.568 4.983 1.00 0.00 H new ATOM 152 N VAL A 13 -7.182 4.896 2.435 1.00 0.00 N ATOM 153 CA VAL A 13 -5.968 5.348 1.768 1.00 0.00 C ATOM 154 C VAL A 13 -5.162 6.281 2.664 1.00 0.00 C ATOM 155 O VAL A 13 -3.935 6.201 2.716 1.00 0.00 O ATOM 156 CB VAL A 13 -6.289 6.074 0.448 1.00 0.00 C ATOM 157 CG1 VAL A 13 -5.012 6.372 -0.323 1.00 0.00 C ATOM 158 CG2 VAL A 13 -7.250 5.249 -0.396 1.00 0.00 C ATOM 0 H VAL A 13 -8.046 5.141 1.951 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.378 4.458 1.551 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.772 7.022 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.259 6.885 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.363 7.007 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.498 5.438 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.465 5.778 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.797 4.284 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.177 5.093 0.156 1.00 0.00 H new ATOM 168 N GLU A 14 -5.860 7.166 3.369 1.00 0.00 N ATOM 169 CA GLU A 14 -5.209 8.116 4.265 1.00 0.00 C ATOM 170 C GLU A 14 -4.401 7.389 5.335 1.00 0.00 C ATOM 171 O GLU A 14 -3.247 7.729 5.595 1.00 0.00 O ATOM 172 CB GLU A 14 -6.249 9.024 4.922 1.00 0.00 C ATOM 173 CG GLU A 14 -6.555 10.277 4.120 1.00 0.00 C ATOM 174 CD GLU A 14 -7.166 11.376 4.967 1.00 0.00 C ATOM 175 OE1 GLU A 14 -6.536 11.774 5.969 1.00 0.00 O ATOM 176 OE2 GLU A 14 -8.276 11.839 4.629 1.00 0.00 O ATOM 0 H GLU A 14 -6.876 7.245 3.337 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.527 8.727 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.171 8.461 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.894 9.313 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.637 10.644 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.238 10.027 3.308 1.00 0.00 H new ATOM 183 N ILE A 15 -5.017 6.386 5.953 1.00 0.00 N ATOM 184 CA ILE A 15 -4.356 5.610 6.996 1.00 0.00 C ATOM 185 C ILE A 15 -3.283 4.701 6.406 1.00 0.00 C ATOM 186 O ILE A 15 -2.231 4.493 7.010 1.00 0.00 O ATOM 187 CB ILE A 15 -5.365 4.752 7.784 1.00 0.00 C ATOM 188 CG1 ILE A 15 -6.537 5.612 8.261 1.00 0.00 C ATOM 189 CG2 ILE A 15 -4.681 4.079 8.965 1.00 0.00 C ATOM 190 CD1 ILE A 15 -7.782 4.813 8.580 1.00 0.00 C ATOM 0 H ILE A 15 -5.972 6.092 5.750 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.891 6.324 7.676 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.753 3.977 7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.233 6.166 9.149 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.774 6.348 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.407 3.477 9.511 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.877 3.438 8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.268 4.839 9.628 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.572 5.487 8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.111 4.280 7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.561 4.096 9.370 1.00 0.00 H new ATOM 202 N LEU A 16 -3.556 4.163 5.222 1.00 0.00 N ATOM 203 CA LEU A 16 -2.613 3.276 4.551 1.00 0.00 C ATOM 204 C LEU A 16 -1.376 4.042 4.095 1.00 0.00 C ATOM 205 O LEU A 16 -0.276 3.492 4.046 1.00 0.00 O ATOM 206 CB LEU A 16 -3.281 2.603 3.350 1.00 0.00 C ATOM 207 CG LEU A 16 -4.274 1.493 3.701 1.00 0.00 C ATOM 208 CD1 LEU A 16 -4.840 0.862 2.438 1.00 0.00 C ATOM 209 CD2 LEU A 16 -3.608 0.440 4.573 1.00 0.00 C ATOM 0 H LEU A 16 -4.422 4.326 4.708 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.303 2.511 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.801 3.364 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.505 2.186 2.708 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.098 1.933 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.544 0.075 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.354 1.622 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.028 0.436 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.328 -0.342 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.765 0.004 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.253 0.902 5.494 1.00 0.00 H new ATOM 221 N GLU A 17 -1.563 5.316 3.762 1.00 0.00 N ATOM 222 CA GLU A 17 -0.462 6.158 3.311 1.00 0.00 C ATOM 223 C GLU A 17 0.259 6.791 4.498 1.00 0.00 C ATOM 224 O GLU A 17 1.485 6.902 4.504 1.00 0.00 O ATOM 225 CB GLU A 17 -0.980 7.248 2.370 1.00 0.00 C ATOM 226 CG GLU A 17 -0.774 6.931 0.900 1.00 0.00 C ATOM 227 CD GLU A 17 -0.727 8.176 0.036 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.592 9.057 0.217 1.00 0.00 O ATOM 229 OE2 GLU A 17 0.176 8.270 -0.822 1.00 0.00 O ATOM 0 H GLU A 17 -2.467 5.787 3.796 1.00 0.00 H new ATOM 0 HA GLU A 17 0.248 5.531 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.043 7.400 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.478 8.187 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.155 6.374 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.581 6.284 0.555 1.00 0.00 H new ATOM 236 N TYR A 18 -0.510 7.203 5.500 1.00 0.00 N ATOM 237 CA TYR A 18 0.054 7.825 6.692 1.00 0.00 C ATOM 238 C TYR A 18 1.015 6.874 7.398 1.00 0.00 C ATOM 239 O TYR A 18 1.980 7.307 8.029 1.00 0.00 O ATOM 240 CB TYR A 18 -1.063 8.247 7.648 1.00 0.00 C ATOM 241 CG TYR A 18 -0.573 9.037 8.841 1.00 0.00 C ATOM 242 CD1 TYR A 18 0.137 8.420 9.864 1.00 0.00 C ATOM 243 CD2 TYR A 18 -0.820 10.400 8.944 1.00 0.00 C ATOM 244 CE1 TYR A 18 0.586 9.139 10.956 1.00 0.00 C ATOM 245 CE2 TYR A 18 -0.375 11.125 10.033 1.00 0.00 C ATOM 246 CZ TYR A 18 0.328 10.491 11.035 1.00 0.00 C ATOM 247 OH TYR A 18 0.773 11.210 12.120 1.00 0.00 O ATOM 0 H TYR A 18 -1.526 7.117 5.510 1.00 0.00 H new ATOM 0 HA TYR A 18 0.611 8.710 6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.791 8.846 7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.583 7.357 8.001 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.341 7.361 9.805 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.369 10.901 8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.136 8.644 11.743 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.577 12.184 10.099 1.00 0.00 H new ATOM 0 HH TYR A 18 0.509 12.149 12.021 1.00 0.00 H new ATOM 257 N ASN A 19 0.746 5.577 7.286 1.00 0.00 N ATOM 258 CA ASN A 19 1.591 4.566 7.914 1.00 0.00 C ATOM 259 C ASN A 19 2.629 4.031 6.930 1.00 0.00 C ATOM 260 O ASN A 19 3.176 2.946 7.123 1.00 0.00 O ATOM 261 CB ASN A 19 0.735 3.414 8.443 1.00 0.00 C ATOM 262 CG ASN A 19 -0.050 3.799 9.681 1.00 0.00 C ATOM 263 OD1 ASN A 19 0.432 3.657 10.805 1.00 0.00 O ATOM 264 ND2 ASN A 19 -1.268 4.287 9.482 1.00 0.00 N ATOM 0 H ASN A 19 -0.048 5.202 6.768 1.00 0.00 H new ATOM 0 HA ASN A 19 2.115 5.035 8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.044 3.091 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.377 2.564 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.844 4.561 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.628 4.388 8.533 1.00 0.00 H new ATOM 271 N PHE A 20 2.896 4.797 5.876 1.00 0.00 N ATOM 272 CA PHE A 20 3.868 4.393 4.866 1.00 0.00 C ATOM 273 C PHE A 20 5.024 5.386 4.785 1.00 0.00 C ATOM 274 O PHE A 20 6.152 5.013 4.462 1.00 0.00 O ATOM 275 CB PHE A 20 3.190 4.274 3.499 1.00 0.00 C ATOM 276 CG PHE A 20 4.046 3.608 2.460 1.00 0.00 C ATOM 277 CD1 PHE A 20 4.628 2.375 2.708 1.00 0.00 C ATOM 278 CD2 PHE A 20 4.270 4.216 1.234 1.00 0.00 C ATOM 279 CE1 PHE A 20 5.416 1.760 1.754 1.00 0.00 C ATOM 280 CE2 PHE A 20 5.056 3.606 0.276 1.00 0.00 C ATOM 281 CZ PHE A 20 5.630 2.377 0.536 1.00 0.00 C ATOM 0 H PHE A 20 2.454 5.699 5.700 1.00 0.00 H new ATOM 0 HA PHE A 20 4.270 3.422 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.263 3.711 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.918 5.270 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.464 1.889 3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.825 5.178 1.026 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.864 0.799 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.222 4.090 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.245 1.899 -0.212 1.00 0.00 H new ATOM 291 N ASN A 21 4.739 6.653 5.074 1.00 0.00 N ATOM 292 CA ASN A 21 5.758 7.696 5.027 1.00 0.00 C ATOM 293 C ASN A 21 6.026 8.271 6.414 1.00 0.00 C ATOM 294 O ASN A 21 7.157 8.637 6.735 1.00 0.00 O ATOM 295 CB ASN A 21 5.323 8.813 4.077 1.00 0.00 C ATOM 296 CG ASN A 21 5.132 8.322 2.655 1.00 0.00 C ATOM 297 OD1 ASN A 21 6.035 8.421 1.825 1.00 0.00 O ATOM 298 ND2 ASN A 21 3.950 7.788 2.368 1.00 0.00 N ATOM 0 H ASN A 21 3.811 6.981 5.343 1.00 0.00 H new ATOM 0 HA ASN A 21 6.681 7.247 4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.391 9.249 4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.070 9.606 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.762 7.440 1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.230 7.726 3.088 1.00 0.00 H new ATOM 305 N LYS A 22 4.982 8.354 7.232 1.00 0.00 N ATOM 306 CA LYS A 22 5.110 8.893 8.582 1.00 0.00 C ATOM 307 C LYS A 22 5.275 7.778 9.612 1.00 0.00 C ATOM 308 O LYS A 22 4.935 7.950 10.782 1.00 0.00 O ATOM 309 CB LYS A 22 3.889 9.746 8.929 1.00 0.00 C ATOM 310 CG LYS A 22 3.779 11.016 8.100 1.00 0.00 C ATOM 311 CD LYS A 22 2.715 10.889 7.021 1.00 0.00 C ATOM 312 CE LYS A 22 2.576 12.174 6.219 1.00 0.00 C ATOM 313 NZ LYS A 22 1.154 12.583 6.068 1.00 0.00 N ATOM 0 H LYS A 22 4.039 8.055 6.984 1.00 0.00 H new ATOM 0 HA LYS A 22 6.004 9.516 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.987 9.150 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.931 10.014 9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.539 11.857 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.742 11.235 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.971 10.067 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.758 10.640 7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.133 12.971 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.021 12.037 5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.103 13.463 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.628 11.834 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.736 12.739 7.007 1.00 0.00 H new ATOM 327 N VAL A 23 5.801 6.638 9.173 1.00 0.00 N ATOM 328 CA VAL A 23 6.012 5.502 10.063 1.00 0.00 C ATOM 329 C VAL A 23 7.118 4.592 9.538 1.00 0.00 C ATOM 330 O VAL A 23 8.195 4.504 10.127 1.00 0.00 O ATOM 331 CB VAL A 23 4.721 4.677 10.243 1.00 0.00 C ATOM 332 CG1 VAL A 23 4.934 3.555 11.251 1.00 0.00 C ATOM 333 CG2 VAL A 23 3.569 5.572 10.670 1.00 0.00 C ATOM 0 H VAL A 23 6.088 6.477 8.208 1.00 0.00 H new ATOM 0 HA VAL A 23 6.308 5.909 11.030 1.00 0.00 H new ATOM 0 HB VAL A 23 4.467 4.227 9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.011 2.986 11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.727 2.895 10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.217 3.980 12.214 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.667 4.972 10.792 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.814 6.054 11.616 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.398 6.333 9.909 1.00 0.00 H new ATOM 343 N ASN A 24 6.843 3.916 8.427 1.00 0.00 N ATOM 344 CA ASN A 24 7.816 3.012 7.824 1.00 0.00 C ATOM 345 C ASN A 24 7.357 2.566 6.438 1.00 0.00 C ATOM 346 O ASN A 24 6.241 2.869 6.015 1.00 0.00 O ATOM 347 CB ASN A 24 8.033 1.792 8.719 1.00 0.00 C ATOM 348 CG ASN A 24 6.728 1.137 9.129 1.00 0.00 C ATOM 349 OD1 ASN A 24 5.916 0.761 8.283 1.00 0.00 O ATOM 350 ND2 ASN A 24 6.520 0.996 10.433 1.00 0.00 N ATOM 0 H ASN A 24 5.956 3.977 7.927 1.00 0.00 H new ATOM 0 HA ASN A 24 8.759 3.549 7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.652 1.065 8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.582 2.092 9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.660 0.562 10.768 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.220 1.322 11.099 1.00 0.00 H new ATOM 357 N LYS A 25 8.225 1.845 5.738 1.00 0.00 N ATOM 358 CA LYS A 25 7.910 1.356 4.401 1.00 0.00 C ATOM 359 C LYS A 25 7.731 -0.158 4.404 1.00 0.00 C ATOM 360 O LYS A 25 6.792 -0.685 3.805 1.00 0.00 O ATOM 361 CB LYS A 25 9.014 1.749 3.416 1.00 0.00 C ATOM 362 CG LYS A 25 8.780 3.092 2.743 1.00 0.00 C ATOM 363 CD LYS A 25 9.141 4.246 3.664 1.00 0.00 C ATOM 364 CE LYS A 25 9.382 5.527 2.882 1.00 0.00 C ATOM 365 NZ LYS A 25 8.316 5.769 1.871 1.00 0.00 N ATOM 0 H LYS A 25 9.153 1.586 6.074 1.00 0.00 H new ATOM 0 HA LYS A 25 6.973 1.814 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.967 1.778 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.097 0.978 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.375 3.152 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.734 3.175 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.338 4.403 4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.035 3.992 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.427 6.370 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.350 5.471 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.677 5.537 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.493 5.170 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.032 6.769 1.898 1.00 0.00 H new ATOM 379 N HIS A 26 8.638 -0.854 5.081 1.00 0.00 N ATOM 380 CA HIS A 26 8.581 -2.310 5.163 1.00 0.00 C ATOM 381 C HIS A 26 8.323 -2.765 6.598 1.00 0.00 C ATOM 382 O HIS A 26 9.205 -3.323 7.251 1.00 0.00 O ATOM 383 CB HIS A 26 9.885 -2.922 4.646 1.00 0.00 C ATOM 384 CG HIS A 26 9.986 -2.938 3.152 1.00 0.00 C ATOM 385 ND1 HIS A 26 9.732 -4.060 2.393 1.00 0.00 N ATOM 386 CD2 HIS A 26 10.316 -1.960 2.275 1.00 0.00 C ATOM 387 CE1 HIS A 26 9.901 -3.773 1.115 1.00 0.00 C ATOM 388 NE2 HIS A 26 10.255 -2.505 1.016 1.00 0.00 N ATOM 0 H HIS A 26 9.422 -0.434 5.581 1.00 0.00 H new ATOM 0 HA HIS A 26 7.755 -2.653 4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.727 -2.362 5.053 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.971 -3.943 5.019 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.456 -4.970 2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.578 -0.941 2.520 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.772 -4.459 0.291 1.00 0.00 H new ATOM 397 N PRO A 27 7.101 -2.532 7.110 1.00 0.00 N ATOM 398 CA PRO A 27 6.731 -2.921 8.475 1.00 0.00 C ATOM 399 C PRO A 27 6.596 -4.433 8.628 1.00 0.00 C ATOM 400 O PRO A 27 6.575 -5.167 7.641 1.00 0.00 O ATOM 401 CB PRO A 27 5.378 -2.239 8.685 1.00 0.00 C ATOM 402 CG PRO A 27 4.813 -2.090 7.315 1.00 0.00 C ATOM 403 CD PRO A 27 5.989 -1.872 6.402 1.00 0.00 C ATOM 0 HA PRO A 27 7.488 -2.627 9.203 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.726 -2.840 9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.494 -1.271 9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.254 -2.979 7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.121 -1.249 7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.821 -2.312 5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.185 -0.811 6.247 1.00 0.00 H new ATOM 411 N ASP A 28 6.505 -4.890 9.873 1.00 0.00 N ATOM 412 CA ASP A 28 6.372 -6.315 10.155 1.00 0.00 C ATOM 413 C ASP A 28 4.903 -6.701 10.318 1.00 0.00 C ATOM 414 O ASP A 28 4.033 -5.834 10.412 1.00 0.00 O ATOM 415 CB ASP A 28 7.152 -6.684 11.420 1.00 0.00 C ATOM 416 CG ASP A 28 8.512 -6.013 11.482 1.00 0.00 C ATOM 417 OD1 ASP A 28 9.403 -6.404 10.700 1.00 0.00 O ATOM 418 OD2 ASP A 28 8.684 -5.097 12.313 1.00 0.00 O ATOM 0 H ASP A 28 6.521 -4.295 10.701 1.00 0.00 H new ATOM 0 HA ASP A 28 6.784 -6.867 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.570 -6.400 12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.282 -7.765 11.460 1.00 0.00 H new ATOM 423 N PRO A 29 4.607 -8.012 10.353 1.00 0.00 N ATOM 424 CA PRO A 29 3.234 -8.508 10.504 1.00 0.00 C ATOM 425 C PRO A 29 2.578 -8.012 11.788 1.00 0.00 C ATOM 426 O PRO A 29 1.357 -7.866 11.857 1.00 0.00 O ATOM 427 CB PRO A 29 3.400 -10.032 10.543 1.00 0.00 C ATOM 428 CG PRO A 29 4.720 -10.292 9.902 1.00 0.00 C ATOM 429 CD PRO A 29 5.581 -9.111 10.247 1.00 0.00 C ATOM 0 HA PRO A 29 2.588 -8.160 9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.378 -10.405 11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.594 -10.531 10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.159 -11.218 10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.616 -10.398 8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.120 -9.264 11.182 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.327 -8.916 9.477 1.00 0.00 H new ATOM 437 N THR A 30 3.396 -7.750 12.801 1.00 0.00 N ATOM 438 CA THR A 30 2.895 -7.269 14.083 1.00 0.00 C ATOM 439 C THR A 30 2.484 -5.802 13.989 1.00 0.00 C ATOM 440 O THR A 30 1.534 -5.371 14.642 1.00 0.00 O ATOM 441 CB THR A 30 3.959 -7.444 15.169 1.00 0.00 C ATOM 442 OG1 THR A 30 4.876 -8.463 14.813 1.00 0.00 O ATOM 443 CG2 THR A 30 3.380 -7.798 16.522 1.00 0.00 C ATOM 0 H THR A 30 4.409 -7.863 12.759 1.00 0.00 H new ATOM 0 HA THR A 30 2.017 -7.859 14.347 1.00 0.00 H new ATOM 0 HB THR A 30 4.455 -6.477 15.246 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.549 -8.559 15.519 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.187 -7.908 17.246 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.706 -7.006 16.848 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.829 -8.736 16.448 1.00 0.00 H new ATOM 451 N THR A 31 3.207 -5.042 13.174 1.00 0.00 N ATOM 452 CA THR A 31 2.918 -3.624 12.994 1.00 0.00 C ATOM 453 C THR A 31 1.717 -3.425 12.074 1.00 0.00 C ATOM 454 O THR A 31 0.893 -2.537 12.294 1.00 0.00 O ATOM 455 CB THR A 31 4.137 -2.901 12.422 1.00 0.00 C ATOM 456 OG1 THR A 31 5.299 -3.205 13.174 1.00 0.00 O ATOM 457 CG2 THR A 31 3.986 -1.397 12.399 1.00 0.00 C ATOM 0 H THR A 31 3.997 -5.384 12.628 1.00 0.00 H new ATOM 0 HA THR A 31 2.679 -3.202 13.970 1.00 0.00 H new ATOM 0 HB THR A 31 4.226 -3.256 11.395 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.069 -2.734 12.791 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.887 -0.947 11.981 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.127 -1.127 11.785 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.835 -1.031 13.415 1.00 0.00 H new ATOM 465 N LEU A 32 1.624 -4.259 11.043 1.00 0.00 N ATOM 466 CA LEU A 32 0.524 -4.176 10.089 1.00 0.00 C ATOM 467 C LEU A 32 -0.818 -4.383 10.784 1.00 0.00 C ATOM 468 O LEU A 32 -1.839 -3.846 10.356 1.00 0.00 O ATOM 469 CB LEU A 32 0.706 -5.213 8.978 1.00 0.00 C ATOM 470 CG LEU A 32 0.451 -4.696 7.562 1.00 0.00 C ATOM 471 CD1 LEU A 32 1.494 -3.658 7.177 1.00 0.00 C ATOM 472 CD2 LEU A 32 0.452 -5.849 6.567 1.00 0.00 C ATOM 0 H LEU A 32 2.297 -5.000 10.847 1.00 0.00 H new ATOM 0 HA LEU A 32 0.532 -3.179 9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.723 -5.603 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.034 -6.050 9.169 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.530 -4.221 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.297 -3.301 6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.448 -2.820 7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.486 -4.107 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.269 -5.464 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.419 -6.351 6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.332 -6.559 6.832 1.00 0.00 H new ATOM 484 N CYS A 33 -0.808 -5.167 11.858 1.00 0.00 N ATOM 485 CA CYS A 33 -2.025 -5.445 12.612 1.00 0.00 C ATOM 486 C CYS A 33 -2.644 -4.157 13.144 1.00 0.00 C ATOM 487 O CYS A 33 -3.866 -4.031 13.226 1.00 0.00 O ATOM 488 CB CYS A 33 -1.725 -6.397 13.772 1.00 0.00 C ATOM 489 SG CYS A 33 -3.178 -7.266 14.409 1.00 0.00 S ATOM 0 H CYS A 33 0.029 -5.620 12.225 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.739 -5.917 11.938 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.990 -7.132 13.444 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.269 -5.831 14.584 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.547 -8.176 13.557 1.00 0.00 H new ATOM 495 N LEU A 34 -1.793 -3.202 13.502 1.00 0.00 N ATOM 496 CA LEU A 34 -2.255 -1.922 14.026 1.00 0.00 C ATOM 497 C LEU A 34 -2.916 -1.093 12.930 1.00 0.00 C ATOM 498 O LEU A 34 -3.916 -0.415 13.167 1.00 0.00 O ATOM 499 CB LEU A 34 -1.086 -1.144 14.635 1.00 0.00 C ATOM 500 CG LEU A 34 -0.406 -1.823 15.824 1.00 0.00 C ATOM 501 CD1 LEU A 34 0.718 -0.954 16.363 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.422 -2.124 16.916 1.00 0.00 C ATOM 0 H LEU A 34 -0.779 -3.290 13.439 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.994 -2.121 14.802 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.340 -0.972 13.859 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.447 -0.166 14.952 1.00 0.00 H new ATOM 0 HG LEU A 34 0.023 -2.766 15.485 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.190 -1.453 17.209 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.458 -0.789 15.580 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.313 0.005 16.688 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.922 -2.607 17.755 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.880 -1.194 17.253 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.193 -2.787 16.523 1.00 0.00 H new ATOM 514 N ILE A 35 -2.351 -1.152 11.728 1.00 0.00 N ATOM 515 CA ILE A 35 -2.885 -0.407 10.595 1.00 0.00 C ATOM 516 C ILE A 35 -4.167 -1.049 10.072 1.00 0.00 C ATOM 517 O ILE A 35 -5.054 -0.364 9.565 1.00 0.00 O ATOM 518 CB ILE A 35 -1.864 -0.320 9.445 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.513 0.172 9.967 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.377 0.598 8.346 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.664 -0.303 9.143 1.00 0.00 C ATOM 0 H ILE A 35 -1.523 -1.708 11.514 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.103 0.599 10.953 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.730 -1.317 9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.516 1.262 9.987 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.386 -0.165 10.996 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.643 0.648 7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.317 0.208 7.956 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.539 1.597 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.588 0.084 9.572 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.692 -1.393 9.143 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.560 0.057 8.119 1.00 0.00 H new ATOM 533 N ALA A 36 -4.257 -2.369 10.201 1.00 0.00 N ATOM 534 CA ALA A 36 -5.429 -3.104 9.742 1.00 0.00 C ATOM 535 C ALA A 36 -6.625 -2.856 10.656 1.00 0.00 C ATOM 536 O ALA A 36 -7.767 -2.814 10.201 1.00 0.00 O ATOM 537 CB ALA A 36 -5.121 -4.592 9.665 1.00 0.00 C ATOM 0 H ALA A 36 -3.532 -2.951 10.620 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.686 -2.745 8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.005 -5.129 9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.301 -4.758 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.837 -4.956 10.652 1.00 0.00 H new ATOM 543 N ALA A 37 -6.353 -2.693 11.946 1.00 0.00 N ATOM 544 CA ALA A 37 -7.407 -2.449 12.924 1.00 0.00 C ATOM 545 C ALA A 37 -7.998 -1.053 12.758 1.00 0.00 C ATOM 546 O ALA A 37 -9.217 -0.884 12.728 1.00 0.00 O ATOM 547 CB ALA A 37 -6.870 -2.631 14.336 1.00 0.00 C ATOM 0 H ALA A 37 -5.412 -2.725 12.339 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.202 -3.175 12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.668 -2.446 15.055 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.502 -3.650 14.457 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.055 -1.928 14.509 1.00 0.00 H new ATOM 553 N GLU A 38 -7.126 -0.056 12.651 1.00 0.00 N ATOM 554 CA GLU A 38 -7.562 1.327 12.488 1.00 0.00 C ATOM 555 C GLU A 38 -8.387 1.491 11.216 1.00 0.00 C ATOM 556 O GLU A 38 -9.575 1.809 11.271 1.00 0.00 O ATOM 557 CB GLU A 38 -6.353 2.263 12.450 1.00 0.00 C ATOM 558 CG GLU A 38 -6.615 3.619 13.084 1.00 0.00 C ATOM 559 CD GLU A 38 -5.336 4.363 13.419 1.00 0.00 C ATOM 560 OE1 GLU A 38 -4.300 4.077 12.783 1.00 0.00 O ATOM 561 OE2 GLU A 38 -5.371 5.231 14.316 1.00 0.00 O ATOM 0 H GLU A 38 -6.114 -0.179 12.674 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.188 1.588 13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.518 1.786 12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.049 2.408 11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.215 4.224 12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.201 3.484 13.993 1.00 0.00 H new ATOM 568 N ALA A 39 -7.750 1.274 10.070 1.00 0.00 N ATOM 569 CA ALA A 39 -8.425 1.397 8.784 1.00 0.00 C ATOM 570 C ALA A 39 -9.603 0.433 8.687 1.00 0.00 C ATOM 571 O ALA A 39 -10.597 0.718 8.018 1.00 0.00 O ATOM 572 CB ALA A 39 -7.445 1.152 7.647 1.00 0.00 C ATOM 0 H ALA A 39 -6.766 1.012 10.006 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.813 2.412 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.963 1.247 6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.639 1.884 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.029 0.148 7.735 1.00 0.00 H new ATOM 578 N GLY A 40 -9.484 -0.707 9.359 1.00 0.00 N ATOM 579 CA GLY A 40 -10.547 -1.695 9.336 1.00 0.00 C ATOM 580 C GLY A 40 -10.226 -2.887 8.450 1.00 0.00 C ATOM 581 O GLY A 40 -11.019 -3.822 8.351 1.00 0.00 O ATOM 0 H GLY A 40 -8.671 -0.964 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.735 -2.043 10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.466 -1.225 8.985 1.00 0.00 H new ATOM 585 N LEU A 41 -9.063 -2.854 7.805 1.00 0.00 N ATOM 586 CA LEU A 41 -8.648 -3.942 6.927 1.00 0.00 C ATOM 587 C LEU A 41 -7.886 -5.010 7.705 1.00 0.00 C ATOM 588 O LEU A 41 -7.803 -4.957 8.933 1.00 0.00 O ATOM 589 CB LEU A 41 -7.776 -3.404 5.790 1.00 0.00 C ATOM 590 CG LEU A 41 -8.368 -2.219 5.027 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.360 -1.669 4.030 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.652 -2.628 4.321 1.00 0.00 C ATOM 0 H LEU A 41 -8.394 -2.088 7.874 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.545 -4.396 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.812 -3.107 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.586 -4.213 5.084 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.606 -1.432 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.799 -0.826 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.467 -1.337 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.090 -2.449 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.060 -1.772 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.440 -3.432 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.378 -2.973 5.057 1.00 0.00 H new ATOM 604 N THR A 42 -7.331 -5.979 6.984 1.00 0.00 N ATOM 605 CA THR A 42 -6.575 -7.059 7.607 1.00 0.00 C ATOM 606 C THR A 42 -5.109 -7.009 7.189 1.00 0.00 C ATOM 607 O THR A 42 -4.741 -6.279 6.268 1.00 0.00 O ATOM 608 CB THR A 42 -7.179 -8.414 7.232 1.00 0.00 C ATOM 609 OG1 THR A 42 -7.161 -8.599 5.828 1.00 0.00 O ATOM 610 CG2 THR A 42 -8.608 -8.582 7.700 1.00 0.00 C ATOM 0 H THR A 42 -7.391 -6.038 5.967 1.00 0.00 H new ATOM 0 HA THR A 42 -6.630 -6.931 8.688 1.00 0.00 H new ATOM 0 HB THR A 42 -6.560 -9.156 7.736 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.550 -9.471 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.976 -9.564 7.402 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.648 -8.494 8.786 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.231 -7.809 7.250 1.00 0.00 H new ATOM 618 N GLU A 43 -4.278 -7.790 7.871 1.00 0.00 N ATOM 619 CA GLU A 43 -2.852 -7.834 7.570 1.00 0.00 C ATOM 620 C GLU A 43 -2.611 -8.297 6.136 1.00 0.00 C ATOM 621 O GLU A 43 -1.637 -7.895 5.499 1.00 0.00 O ATOM 622 CB GLU A 43 -2.132 -8.767 8.547 1.00 0.00 C ATOM 623 CG GLU A 43 -1.616 -8.063 9.791 1.00 0.00 C ATOM 624 CD GLU A 43 -1.817 -8.884 11.050 1.00 0.00 C ATOM 625 OE1 GLU A 43 -1.042 -9.840 11.265 1.00 0.00 O ATOM 626 OE2 GLU A 43 -2.748 -8.572 11.820 1.00 0.00 O ATOM 0 H GLU A 43 -4.567 -8.401 8.635 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.452 -6.826 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.814 -9.563 8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.295 -9.241 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.555 -7.847 9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.126 -7.106 9.900 1.00 0.00 H new ATOM 633 N GLU A 44 -3.502 -9.146 5.637 1.00 0.00 N ATOM 634 CA GLU A 44 -3.386 -9.665 4.278 1.00 0.00 C ATOM 635 C GLU A 44 -3.747 -8.596 3.252 1.00 0.00 C ATOM 636 O GLU A 44 -3.142 -8.519 2.183 1.00 0.00 O ATOM 637 CB GLU A 44 -4.290 -10.886 4.099 1.00 0.00 C ATOM 638 CG GLU A 44 -4.066 -11.619 2.785 1.00 0.00 C ATOM 639 CD GLU A 44 -4.085 -13.127 2.949 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.945 -13.631 3.702 1.00 0.00 O ATOM 641 OE2 GLU A 44 -3.240 -13.802 2.324 1.00 0.00 O ATOM 0 H GLU A 44 -4.312 -9.490 6.152 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.349 -9.960 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.122 -11.577 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.331 -10.569 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.837 -11.325 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.109 -11.315 2.362 1.00 0.00 H new ATOM 648 N GLN A 45 -4.736 -7.773 3.585 1.00 0.00 N ATOM 649 CA GLN A 45 -5.178 -6.708 2.691 1.00 0.00 C ATOM 650 C GLN A 45 -4.201 -5.537 2.713 1.00 0.00 C ATOM 651 O GLN A 45 -4.037 -4.835 1.715 1.00 0.00 O ATOM 652 CB GLN A 45 -6.576 -6.229 3.088 1.00 0.00 C ATOM 653 CG GLN A 45 -7.687 -7.173 2.660 1.00 0.00 C ATOM 654 CD GLN A 45 -9.066 -6.634 2.984 1.00 0.00 C ATOM 655 OE1 GLN A 45 -9.207 -5.664 3.728 1.00 0.00 O ATOM 656 NE2 GLN A 45 -10.094 -7.262 2.425 1.00 0.00 N ATOM 0 H GLN A 45 -5.246 -7.823 4.467 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.212 -7.109 1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.614 -6.103 4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.754 -5.248 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.614 -7.352 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.552 -8.135 3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.932 -8.063 1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.046 -6.944 2.606 1.00 0.00 H new ATOM 665 N THR A 46 -3.557 -5.331 3.856 1.00 0.00 N ATOM 666 CA THR A 46 -2.597 -4.243 4.007 1.00 0.00 C ATOM 667 C THR A 46 -1.260 -4.601 3.366 1.00 0.00 C ATOM 668 O THR A 46 -0.539 -3.727 2.882 1.00 0.00 O ATOM 669 CB THR A 46 -2.394 -3.916 5.488 1.00 0.00 C ATOM 670 OG1 THR A 46 -3.640 -3.808 6.153 1.00 0.00 O ATOM 671 CG2 THR A 46 -1.636 -2.627 5.717 1.00 0.00 C ATOM 0 H THR A 46 -3.682 -5.903 4.692 1.00 0.00 H new ATOM 0 HA THR A 46 -2.999 -3.366 3.499 1.00 0.00 H new ATOM 0 HB THR A 46 -1.804 -4.741 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.023 -4.701 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.527 -2.454 6.788 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.650 -2.699 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.185 -1.798 5.270 1.00 0.00 H new ATOM 679 N GLN A 47 -0.935 -5.889 3.366 1.00 0.00 N ATOM 680 CA GLN A 47 0.317 -6.361 2.784 1.00 0.00 C ATOM 681 C GLN A 47 0.376 -6.055 1.291 1.00 0.00 C ATOM 682 O GLN A 47 1.437 -5.742 0.752 1.00 0.00 O ATOM 683 CB GLN A 47 0.477 -7.864 3.018 1.00 0.00 C ATOM 684 CG GLN A 47 1.876 -8.268 3.450 1.00 0.00 C ATOM 685 CD GLN A 47 1.870 -9.324 4.538 1.00 0.00 C ATOM 686 OE1 GLN A 47 2.033 -9.017 5.719 1.00 0.00 O ATOM 687 NE2 GLN A 47 1.682 -10.579 4.143 1.00 0.00 N ATOM 0 H GLN A 47 -1.520 -6.625 3.762 1.00 0.00 H new ATOM 0 HA GLN A 47 1.137 -5.835 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.235 -8.182 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.222 -8.395 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.424 -8.645 2.586 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.410 -7.387 3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.551 -10.788 3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.669 -11.333 4.830 1.00 0.00 H new ATOM 696 N LYS A 48 -0.773 -6.149 0.627 1.00 0.00 N ATOM 697 CA LYS A 48 -0.851 -5.884 -0.805 1.00 0.00 C ATOM 698 C LYS A 48 -0.632 -4.404 -1.100 1.00 0.00 C ATOM 699 O LYS A 48 0.164 -4.045 -1.966 1.00 0.00 O ATOM 700 CB LYS A 48 -2.208 -6.329 -1.353 1.00 0.00 C ATOM 701 CG LYS A 48 -2.585 -7.751 -0.967 1.00 0.00 C ATOM 702 CD LYS A 48 -1.564 -8.755 -1.477 1.00 0.00 C ATOM 703 CE LYS A 48 -1.817 -10.142 -0.909 1.00 0.00 C ATOM 704 NZ LYS A 48 -0.548 -10.855 -0.597 1.00 0.00 N ATOM 0 H LYS A 48 -1.661 -6.406 1.058 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.062 -6.453 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.978 -5.647 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.196 -6.248 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.661 -7.827 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.568 -7.991 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.602 -8.794 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.561 -8.426 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.419 -10.059 -0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.396 -10.727 -1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.764 -11.797 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.015 -10.957 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.007 -10.310 0.105 1.00 0.00 H new ATOM 718 N TRP A 49 -1.346 -3.550 -0.373 1.00 0.00 N ATOM 719 CA TRP A 49 -1.230 -2.107 -0.558 1.00 0.00 C ATOM 720 C TRP A 49 0.196 -1.636 -0.294 1.00 0.00 C ATOM 721 O TRP A 49 0.728 -0.797 -1.022 1.00 0.00 O ATOM 722 CB TRP A 49 -2.201 -1.374 0.370 1.00 0.00 C ATOM 723 CG TRP A 49 -2.309 0.091 0.079 1.00 0.00 C ATOM 724 CD1 TRP A 49 -3.328 0.724 -0.573 1.00 0.00 C ATOM 725 CD2 TRP A 49 -1.363 1.107 0.429 1.00 0.00 C ATOM 726 NE1 TRP A 49 -3.073 2.072 -0.650 1.00 0.00 N ATOM 727 CE2 TRP A 49 -1.872 2.332 -0.042 1.00 0.00 C ATOM 728 CE3 TRP A 49 -0.134 1.100 1.094 1.00 0.00 C ATOM 729 CZ2 TRP A 49 -1.196 3.536 0.133 1.00 0.00 C ATOM 730 CZ3 TRP A 49 0.537 2.297 1.267 1.00 0.00 C ATOM 731 CH2 TRP A 49 0.004 3.501 0.788 1.00 0.00 C ATOM 0 H TRP A 49 -2.010 -3.831 0.348 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.483 -1.878 -1.593 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.188 -1.828 0.283 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.878 -1.509 1.402 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.206 0.236 -0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.679 2.766 -1.088 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.284 0.177 1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.605 4.465 -0.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.487 2.304 1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.552 4.420 0.939 1.00 0.00 H new ATOM 742 N PHE A 50 0.810 -2.178 0.752 1.00 0.00 N ATOM 743 CA PHE A 50 2.175 -1.811 1.112 1.00 0.00 C ATOM 744 C PHE A 50 3.176 -2.383 0.114 1.00 0.00 C ATOM 745 O PHE A 50 4.173 -1.741 -0.217 1.00 0.00 O ATOM 746 CB PHE A 50 2.503 -2.306 2.523 1.00 0.00 C ATOM 747 CG PHE A 50 2.230 -1.289 3.594 1.00 0.00 C ATOM 748 CD1 PHE A 50 0.931 -1.002 3.981 1.00 0.00 C ATOM 749 CD2 PHE A 50 3.274 -0.620 4.213 1.00 0.00 C ATOM 750 CE1 PHE A 50 0.678 -0.066 4.967 1.00 0.00 C ATOM 751 CE2 PHE A 50 3.027 0.316 5.199 1.00 0.00 C ATOM 752 CZ PHE A 50 1.727 0.593 5.576 1.00 0.00 C ATOM 0 H PHE A 50 0.384 -2.873 1.365 1.00 0.00 H new ATOM 0 HA PHE A 50 2.250 -0.724 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.920 -3.204 2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.554 -2.592 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.107 -1.515 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.292 -0.833 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.339 0.149 5.260 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.849 0.830 5.674 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.532 1.324 6.346 1.00 0.00 H new ATOM 762 N LYS A 51 2.905 -3.595 -0.361 1.00 0.00 N ATOM 763 CA LYS A 51 3.784 -4.252 -1.321 1.00 0.00 C ATOM 764 C LYS A 51 3.712 -3.571 -2.683 1.00 0.00 C ATOM 765 O LYS A 51 4.735 -3.338 -3.326 1.00 0.00 O ATOM 766 CB LYS A 51 3.409 -5.730 -1.456 1.00 0.00 C ATOM 767 CG LYS A 51 4.455 -6.558 -2.185 1.00 0.00 C ATOM 768 CD LYS A 51 4.157 -6.646 -3.673 1.00 0.00 C ATOM 769 CE LYS A 51 5.355 -7.166 -4.451 1.00 0.00 C ATOM 770 NZ LYS A 51 6.424 -6.137 -4.578 1.00 0.00 N ATOM 0 H LYS A 51 2.085 -4.141 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 51 4.807 -4.174 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.254 -6.149 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.460 -5.809 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.440 -6.116 -2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.488 -7.561 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.303 -7.303 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.878 -5.661 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.757 -8.048 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.034 -7.481 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.136 -6.459 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.007 -5.242 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.877 -5.991 -3.653 1.00 0.00 H new ATOM 784 N GLN A 52 2.497 -3.254 -3.119 1.00 0.00 N ATOM 785 CA GLN A 52 2.292 -2.600 -4.405 1.00 0.00 C ATOM 786 C GLN A 52 2.795 -1.160 -4.372 1.00 0.00 C ATOM 787 O GLN A 52 3.526 -0.726 -5.262 1.00 0.00 O ATOM 788 CB GLN A 52 0.810 -2.627 -4.784 1.00 0.00 C ATOM 789 CG GLN A 52 0.388 -3.903 -5.494 1.00 0.00 C ATOM 790 CD GLN A 52 -1.078 -3.894 -5.883 1.00 0.00 C ATOM 791 OE1 GLN A 52 -1.683 -2.834 -6.045 1.00 0.00 O ATOM 792 NE2 GLN A 52 -1.657 -5.080 -6.037 1.00 0.00 N ATOM 0 H GLN A 52 1.639 -3.440 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 52 2.862 -3.146 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.210 -2.508 -3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.592 -1.774 -5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.997 -4.036 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.583 -4.757 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.117 -5.934 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.641 -5.137 -6.300 1.00 0.00 H new ATOM 801 N ARG A 53 2.396 -0.423 -3.340 1.00 0.00 N ATOM 802 CA ARG A 53 2.806 0.969 -3.190 1.00 0.00 C ATOM 803 C ARG A 53 4.324 1.084 -3.102 1.00 0.00 C ATOM 804 O ARG A 53 4.907 2.080 -3.531 1.00 0.00 O ATOM 805 CB ARG A 53 2.163 1.580 -1.944 1.00 0.00 C ATOM 806 CG ARG A 53 2.186 3.100 -1.931 1.00 0.00 C ATOM 807 CD ARG A 53 1.061 3.681 -2.772 1.00 0.00 C ATOM 808 NE ARG A 53 1.275 5.095 -3.070 1.00 0.00 N ATOM 809 CZ ARG A 53 2.174 5.541 -3.943 1.00 0.00 C ATOM 810 NH1 ARG A 53 2.945 4.688 -4.607 1.00 0.00 N ATOM 811 NH2 ARG A 53 2.305 6.844 -4.154 1.00 0.00 N ATOM 0 H ARG A 53 1.789 -0.766 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 53 2.470 1.517 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.130 1.240 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.681 1.209 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.097 3.458 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.145 3.454 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.980 3.122 -3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.115 3.561 -2.245 1.00 0.00 H new ATOM 0 HE ARG A 53 0.701 5.781 -2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.850 3.685 -4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.633 5.036 -5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.716 7.505 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.995 7.185 -4.824 1.00 0.00 H new ATOM 825 N LEU A 54 4.959 0.060 -2.542 1.00 0.00 N ATOM 826 CA LEU A 54 6.410 0.047 -2.397 1.00 0.00 C ATOM 827 C LEU A 54 7.095 -0.059 -3.757 1.00 0.00 C ATOM 828 O LEU A 54 8.210 0.427 -3.940 1.00 0.00 O ATOM 829 CB LEU A 54 6.845 -1.116 -1.503 1.00 0.00 C ATOM 830 CG LEU A 54 6.838 -0.816 -0.003 1.00 0.00 C ATOM 831 CD1 LEU A 54 6.841 -2.107 0.800 1.00 0.00 C ATOM 832 CD2 LEU A 54 8.033 0.049 0.370 1.00 0.00 C ATOM 0 H LEU A 54 4.492 -0.772 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 54 6.710 0.986 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.188 -1.965 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.851 -1.421 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 54 5.927 -0.267 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.836 -1.873 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.955 -2.691 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.734 -2.683 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.014 0.254 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.955 -0.475 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.988 0.989 -0.180 1.00 0.00 H new ATOM 844 N ALA A 55 6.420 -0.698 -4.707 1.00 0.00 N ATOM 845 CA ALA A 55 6.964 -0.868 -6.050 1.00 0.00 C ATOM 846 C ALA A 55 7.290 0.478 -6.688 1.00 0.00 C ATOM 847 O ALA A 55 8.205 0.583 -7.504 1.00 0.00 O ATOM 848 CB ALA A 55 5.986 -1.644 -6.919 1.00 0.00 C ATOM 0 H ALA A 55 5.495 -1.107 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 55 7.892 -1.434 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.404 -1.764 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.808 -2.626 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.044 -1.099 -6.982 1.00 0.00 H new ATOM 854 N GLU A 56 6.536 1.505 -6.310 1.00 0.00 N ATOM 855 CA GLU A 56 6.745 2.845 -6.846 1.00 0.00 C ATOM 856 C GLU A 56 7.801 3.596 -6.041 1.00 0.00 C ATOM 857 O GLU A 56 8.524 4.435 -6.578 1.00 0.00 O ATOM 858 CB GLU A 56 5.432 3.629 -6.843 1.00 0.00 C ATOM 859 CG GLU A 56 4.520 3.295 -8.012 1.00 0.00 C ATOM 860 CD GLU A 56 4.343 4.459 -8.967 1.00 0.00 C ATOM 861 OE1 GLU A 56 5.351 5.122 -9.288 1.00 0.00 O ATOM 862 OE2 GLU A 56 3.196 4.707 -9.395 1.00 0.00 O ATOM 0 H GLU A 56 5.775 1.435 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 56 7.099 2.747 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.902 3.430 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.656 4.696 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.930 2.444 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.545 2.991 -7.631 1.00 0.00 H new ATOM 869 N TRP A 57 7.882 3.289 -4.751 1.00 0.00 N ATOM 870 CA TRP A 57 8.849 3.936 -3.870 1.00 0.00 C ATOM 871 C TRP A 57 10.274 3.527 -4.230 1.00 0.00 C ATOM 872 O TRP A 57 11.193 4.345 -4.191 1.00 0.00 O ATOM 873 CB TRP A 57 8.557 3.584 -2.410 1.00 0.00 C ATOM 874 CG TRP A 57 9.470 4.269 -1.440 1.00 0.00 C ATOM 875 CD1 TRP A 57 9.487 5.600 -1.130 1.00 0.00 C ATOM 876 CD2 TRP A 57 10.499 3.660 -0.653 1.00 0.00 C ATOM 877 NE1 TRP A 57 10.465 5.853 -0.199 1.00 0.00 N ATOM 878 CE2 TRP A 57 11.100 4.679 0.110 1.00 0.00 C ATOM 879 CE3 TRP A 57 10.972 2.351 -0.521 1.00 0.00 C ATOM 880 CZ2 TRP A 57 12.148 4.429 0.993 1.00 0.00 C ATOM 881 CZ3 TRP A 57 12.012 2.104 0.357 1.00 0.00 C ATOM 882 CH2 TRP A 57 12.590 3.139 1.103 1.00 0.00 C ATOM 0 H TRP A 57 7.290 2.597 -4.292 1.00 0.00 H new ATOM 0 HA TRP A 57 8.757 5.014 -4.001 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.526 3.852 -2.178 1.00 0.00 H new ATOM 0 HB3 TRP A 57 8.643 2.505 -2.280 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.829 6.343 -1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 57 10.683 6.767 0.198 1.00 0.00 H new ATOM 0 HE3 TRP A 57 10.533 1.547 -1.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 12.595 5.225 1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 12.384 1.096 0.469 1.00 0.00 H new ATOM 0 HH2 TRP A 57 13.402 2.914 1.779 1.00 0.00 H new ATOM 893 N ARG A 58 10.451 2.257 -4.578 1.00 0.00 N ATOM 894 CA ARG A 58 11.766 1.741 -4.942 1.00 0.00 C ATOM 895 C ARG A 58 12.332 2.490 -6.145 1.00 0.00 C ATOM 896 O ARG A 58 13.481 2.931 -6.128 1.00 0.00 O ATOM 897 CB ARG A 58 11.686 0.244 -5.252 1.00 0.00 C ATOM 898 CG ARG A 58 11.888 -0.640 -4.032 1.00 0.00 C ATOM 899 CD ARG A 58 11.918 -2.113 -4.408 1.00 0.00 C ATOM 900 NE ARG A 58 13.243 -2.537 -4.857 1.00 0.00 N ATOM 901 CZ ARG A 58 13.654 -2.486 -6.122 1.00 0.00 C ATOM 902 NH1 ARG A 58 12.853 -2.024 -7.074 1.00 0.00 N ATOM 903 NH2 ARG A 58 14.875 -2.898 -6.438 1.00 0.00 N ATOM 0 H ARG A 58 9.701 1.566 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 58 12.433 1.894 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.714 0.024 -5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.439 -0.005 -6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.821 -0.371 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.085 -0.463 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.617 -2.713 -3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.190 -2.300 -5.198 1.00 0.00 H new ATOM 0 HE ARG A 58 13.893 -2.894 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.913 -1.704 -6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.177 -1.989 -8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.497 -3.253 -5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.191 -2.860 -7.407 1.00 0.00 H new ATOM 917 N ARG A 59 11.517 2.633 -7.186 1.00 0.00 N ATOM 918 CA ARG A 59 11.938 3.332 -8.394 1.00 0.00 C ATOM 919 C ARG A 59 12.331 4.771 -8.080 1.00 0.00 C ATOM 920 O ARG A 59 13.221 5.336 -8.717 1.00 0.00 O ATOM 921 CB ARG A 59 10.819 3.312 -9.437 1.00 0.00 C ATOM 922 CG ARG A 59 10.871 2.107 -10.362 1.00 0.00 C ATOM 923 CD ARG A 59 9.857 2.225 -11.489 1.00 0.00 C ATOM 924 NE ARG A 59 9.286 0.929 -11.849 1.00 0.00 N ATOM 925 CZ ARG A 59 8.665 0.687 -13.002 1.00 0.00 C ATOM 926 NH1 ARG A 59 8.534 1.649 -13.908 1.00 0.00 N ATOM 927 NH2 ARG A 59 8.177 -0.520 -13.251 1.00 0.00 N ATOM 0 H ARG A 59 10.563 2.274 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 59 12.809 2.816 -8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.857 3.326 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.875 4.221 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.873 2.012 -10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.677 1.200 -9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.058 2.902 -11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.336 2.666 -12.363 1.00 0.00 H new ATOM 0 HE ARG A 59 9.368 0.165 -11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.910 2.579 -13.723 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.057 1.458 -14.789 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.277 -1.263 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.701 -0.706 -14.134 1.00 0.00 H new ATOM 941 N SER A 60 11.661 5.361 -7.096 1.00 0.00 N ATOM 942 CA SER A 60 11.940 6.735 -6.695 1.00 0.00 C ATOM 943 C SER A 60 13.252 6.821 -5.926 1.00 0.00 C ATOM 944 O SER A 60 14.076 7.700 -6.181 1.00 0.00 O ATOM 945 CB SER A 60 10.796 7.279 -5.838 1.00 0.00 C ATOM 946 OG SER A 60 9.540 7.046 -6.453 1.00 0.00 O ATOM 0 H SER A 60 10.920 4.908 -6.561 1.00 0.00 H new ATOM 0 HA SER A 60 12.029 7.340 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.817 6.806 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.934 8.349 -5.679 1.00 0.00 H new ATOM 0 HG SER A 60 9.323 6.092 -6.402 1.00 0.00 H new ATOM 952 N GLU A 61 13.443 5.903 -4.983 1.00 0.00 N ATOM 953 CA GLU A 61 14.658 5.876 -4.178 1.00 0.00 C ATOM 954 C GLU A 61 15.840 5.362 -4.992 1.00 0.00 C ATOM 955 O GLU A 61 16.846 6.053 -5.149 1.00 0.00 O ATOM 956 CB GLU A 61 14.455 4.999 -2.941 1.00 0.00 C ATOM 957 CG GLU A 61 13.872 5.747 -1.753 1.00 0.00 C ATOM 958 CD GLU A 61 14.926 6.135 -0.735 1.00 0.00 C ATOM 959 OE1 GLU A 61 15.648 7.127 -0.975 1.00 0.00 O ATOM 960 OE2 GLU A 61 15.032 5.448 0.303 1.00 0.00 O ATOM 0 H GLU A 61 12.772 5.169 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 61 14.876 6.896 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.795 4.171 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.413 4.565 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.366 6.645 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.118 5.125 -1.271 1.00 0.00 H new ATOM 967 N GLY A 62 15.712 4.144 -5.509 1.00 0.00 N ATOM 968 CA GLY A 62 16.776 3.559 -6.302 1.00 0.00 C ATOM 969 C GLY A 62 17.703 2.686 -5.477 1.00 0.00 C ATOM 970 O GLY A 62 18.837 3.071 -5.191 1.00 0.00 O ATOM 0 H GLY A 62 14.890 3.552 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 62 16.341 2.964 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 62 17.354 4.355 -6.772 1.00 0.00 H new ATOM 974 N LEU A 63 17.219 1.509 -5.094 1.00 0.00 N ATOM 975 CA LEU A 63 18.011 0.580 -4.296 1.00 0.00 C ATOM 976 C LEU A 63 19.254 0.129 -5.063 1.00 0.00 C ATOM 977 O LEU A 63 19.221 -0.012 -6.286 1.00 0.00 O ATOM 978 CB LEU A 63 17.168 -0.635 -3.902 1.00 0.00 C ATOM 979 CG LEU A 63 16.603 -0.597 -2.481 1.00 0.00 C ATOM 980 CD1 LEU A 63 15.618 0.550 -2.329 1.00 0.00 C ATOM 981 CD2 LEU A 63 15.938 -1.922 -2.136 1.00 0.00 C ATOM 0 H LEU A 63 16.283 1.176 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 63 18.332 1.097 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 63 16.339 -0.726 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 63 17.778 -1.532 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 63 17.428 -0.435 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.227 0.561 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.124 1.494 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.796 0.419 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.542 -1.877 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.124 -2.114 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.671 -2.726 -2.204 1.00 0.00 H new ATOM 993 N PRO A 64 20.371 -0.106 -4.351 1.00 0.00 N ATOM 994 CA PRO A 64 21.623 -0.542 -4.972 1.00 0.00 C ATOM 995 C PRO A 64 21.570 -1.997 -5.424 1.00 0.00 C ATOM 996 O PRO A 64 20.516 -2.632 -5.387 1.00 0.00 O ATOM 997 CB PRO A 64 22.650 -0.368 -3.852 1.00 0.00 C ATOM 998 CG PRO A 64 21.865 -0.522 -2.597 1.00 0.00 C ATOM 999 CD PRO A 64 20.498 0.036 -2.888 1.00 0.00 C ATOM 0 HA PRO A 64 21.852 0.027 -5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 64 23.441 -1.115 -3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 64 23.130 0.609 -3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 64 21.804 -1.570 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 64 22.337 0.014 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 64 19.719 -0.516 -2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 64 20.415 1.078 -2.577 1.00 0.00 H new ATOM 1007 N SER A 65 22.714 -2.521 -5.852 1.00 0.00 N ATOM 1008 CA SER A 65 22.799 -3.902 -6.311 1.00 0.00 C ATOM 1009 C SER A 65 24.252 -4.357 -6.396 1.00 0.00 C ATOM 1010 O SER A 65 25.168 -3.537 -6.457 1.00 0.00 O ATOM 1011 CB SER A 65 22.126 -4.049 -7.678 1.00 0.00 C ATOM 1012 OG SER A 65 21.781 -5.400 -7.933 1.00 0.00 O ATOM 0 H SER A 65 23.596 -2.009 -5.890 1.00 0.00 H new ATOM 0 HA SER A 65 22.281 -4.532 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 65 21.231 -3.428 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.796 -3.688 -8.458 1.00 0.00 H new ATOM 0 HG SER A 65 21.351 -5.468 -8.811 1.00 0.00 H new ATOM 1018 N GLU A 66 24.457 -5.670 -6.398 1.00 0.00 N ATOM 1019 CA GLU A 66 25.800 -6.234 -6.474 1.00 0.00 C ATOM 1020 C GLU A 66 25.796 -7.547 -7.250 1.00 0.00 C ATOM 1021 O GLU A 66 26.628 -7.760 -8.131 1.00 0.00 O ATOM 1022 CB GLU A 66 26.361 -6.459 -5.069 1.00 0.00 C ATOM 1023 CG GLU A 66 27.023 -5.228 -4.474 1.00 0.00 C ATOM 1024 CD GLU A 66 26.971 -5.212 -2.958 1.00 0.00 C ATOM 1025 OE1 GLU A 66 25.876 -5.433 -2.400 1.00 0.00 O ATOM 1026 OE2 GLU A 66 28.025 -4.981 -2.330 1.00 0.00 O ATOM 0 H GLU A 66 23.711 -6.363 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 66 26.436 -5.524 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.553 -6.780 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 66 27.087 -7.271 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 66 28.063 -5.187 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 66 26.533 -4.334 -4.860 1.00 0.00 H new ATOM 1033 N CYS A 67 24.855 -8.424 -6.916 1.00 0.00 N ATOM 1034 CA CYS A 67 24.743 -9.717 -7.581 1.00 0.00 C ATOM 1035 C CYS A 67 26.006 -10.547 -7.371 1.00 0.00 C ATOM 1036 O CYS A 67 26.410 -11.315 -8.244 1.00 0.00 O ATOM 1037 CB CYS A 67 24.490 -9.525 -9.078 1.00 0.00 C ATOM 1038 SG CYS A 67 22.958 -8.644 -9.459 1.00 0.00 S ATOM 0 H CYS A 67 24.159 -8.263 -6.188 1.00 0.00 H new ATOM 0 HA CYS A 67 23.900 -10.251 -7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 67 25.328 -8.979 -9.510 1.00 0.00 H new ATOM 0 HB3 CYS A 67 24.464 -10.502 -9.560 1.00 0.00 H new ATOM 0 HG CYS A 67 22.833 -8.529 -10.748 1.00 0.00 H new ATOM 1044 N ARG A 68 26.626 -10.384 -6.206 1.00 0.00 N ATOM 1045 CA ARG A 68 27.843 -11.117 -5.880 1.00 0.00 C ATOM 1046 C ARG A 68 27.535 -12.581 -5.580 1.00 0.00 C ATOM 1047 O ARG A 68 28.230 -13.481 -6.052 1.00 0.00 O ATOM 1048 CB ARG A 68 28.542 -10.477 -4.680 1.00 0.00 C ATOM 1049 CG ARG A 68 27.723 -10.528 -3.401 1.00 0.00 C ATOM 1050 CD ARG A 68 28.257 -9.564 -2.354 1.00 0.00 C ATOM 1051 NE ARG A 68 27.230 -8.635 -1.888 1.00 0.00 N ATOM 1052 CZ ARG A 68 27.311 -7.948 -0.751 1.00 0.00 C ATOM 1053 NH1 ARG A 68 28.371 -8.079 0.037 1.00 0.00 N ATOM 1054 NH2 ARG A 68 26.332 -7.125 -0.402 1.00 0.00 N ATOM 0 H ARG A 68 26.305 -9.751 -5.473 1.00 0.00 H new ATOM 0 HA ARG A 68 28.505 -11.074 -6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 68 29.494 -10.982 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 68 28.770 -9.437 -4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 68 26.684 -10.285 -3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 68 27.734 -11.542 -3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 68 28.646 -10.129 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 68 29.092 -9.001 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 68 26.402 -8.505 -2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 68 29.129 -8.709 -0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 68 28.428 -7.550 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 68 25.516 -7.018 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 68 26.394 -6.599 0.469 1.00 0.00 H new ATOM 1068 N SER A 69 26.491 -12.811 -4.792 1.00 0.00 N ATOM 1069 CA SER A 69 26.091 -14.166 -4.427 1.00 0.00 C ATOM 1070 C SER A 69 27.201 -14.870 -3.653 1.00 0.00 C ATOM 1071 O SER A 69 27.627 -15.967 -4.015 1.00 0.00 O ATOM 1072 CB SER A 69 25.735 -14.969 -5.682 1.00 0.00 C ATOM 1073 OG SER A 69 24.360 -14.837 -5.997 1.00 0.00 O ATOM 0 H SER A 69 25.906 -12.077 -4.393 1.00 0.00 H new ATOM 0 HA SER A 69 25.212 -14.101 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 69 26.339 -14.625 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 69 25.977 -16.020 -5.526 1.00 0.00 H new ATOM 0 HG SER A 69 24.158 -15.357 -6.803 1.00 0.00 H new ATOM 1079 N VAL A 70 27.665 -14.232 -2.584 1.00 0.00 N ATOM 1080 CA VAL A 70 28.726 -14.797 -1.757 1.00 0.00 C ATOM 1081 C VAL A 70 28.150 -15.512 -0.540 1.00 0.00 C ATOM 1082 O VAL A 70 28.686 -16.526 -0.092 1.00 0.00 O ATOM 1083 CB VAL A 70 29.709 -13.711 -1.283 1.00 0.00 C ATOM 1084 CG1 VAL A 70 30.458 -13.115 -2.464 1.00 0.00 C ATOM 1085 CG2 VAL A 70 28.974 -12.629 -0.505 1.00 0.00 C ATOM 0 H VAL A 70 27.324 -13.324 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 70 29.263 -15.515 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 70 30.439 -14.172 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 70 31.148 -12.349 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.018 -13.900 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.746 -12.668 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 70 29.684 -11.870 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.221 -12.169 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.490 -13.072 0.365 1.00 0.00 H new ATOM 1095 N THR A 71 27.056 -14.978 -0.007 1.00 0.00 N ATOM 1096 CA THR A 71 26.407 -15.565 1.158 1.00 0.00 C ATOM 1097 C THR A 71 25.684 -16.855 0.787 1.00 0.00 C ATOM 1098 O THR A 71 25.249 -17.030 -0.352 1.00 0.00 O ATOM 1099 CB THR A 71 25.419 -14.572 1.773 1.00 0.00 C ATOM 1100 OG1 THR A 71 25.864 -13.241 1.583 1.00 0.00 O ATOM 1101 CG2 THR A 71 25.208 -14.778 3.257 1.00 0.00 C ATOM 0 H THR A 71 26.600 -14.138 -0.365 1.00 0.00 H new ATOM 0 HA THR A 71 27.179 -15.800 1.891 1.00 0.00 H new ATOM 0 HB THR A 71 24.474 -14.750 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.219 -12.620 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.496 -14.041 3.629 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.818 -15.780 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 71 26.158 -14.661 3.779 1.00 0.00 H new ATOM 1109 N ASP A 72 25.557 -17.757 1.756 1.00 0.00 N ATOM 1110 CA ASP A 72 24.886 -19.032 1.531 1.00 0.00 C ATOM 1111 C ASP A 72 23.411 -18.820 1.206 1.00 0.00 C ATOM 1112 O ASP A 72 22.631 -19.787 1.339 1.00 0.00 O ATOM 1113 CB ASP A 72 25.025 -19.929 2.762 1.00 0.00 C ATOM 1114 CG ASP A 72 24.603 -19.228 4.039 1.00 0.00 C ATOM 1115 OD1 ASP A 72 25.462 -18.578 4.670 1.00 0.00 O ATOM 1116 OD2 ASP A 72 23.414 -19.329 4.407 1.00 0.00 O ATOM 1117 OXT ASP A 72 23.047 -17.688 0.820 1.00 0.00 O ATOM 0 H ASP A 72 25.910 -17.628 2.704 1.00 0.00 H new ATOM 0 HA ASP A 72 25.361 -19.519 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 72 24.419 -20.825 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 72 26.061 -20.255 2.855 1.00 0.00 H new TER 1122 ASP A 72