USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 905 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.741! USER MOD Single : A 3 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.021) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.589 K(o=-0.59,f=-2.1!) USER MOD Single : A 10 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.4) USER MOD Single : A 11 THR OG1 : rot 160:sc= -4.37! USER MOD Single : A 14 HIS : no HD1:sc= -19.8! C(o=-20!,f=-18!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -148:sc= -0.0876 (180deg=-0.614) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 43 TYR OH : rot -120:sc= -0.611 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.28) USER MOD Single : A 58 THR OG1 : rot -60:sc= 0.265 USER MOD Single : A 62 GLN : amide:sc= -6.35! C(o=-6.3!,f=-5.3!) USER MOD Single : A 63 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.073) USER MOD Single : A 64 GLN : amide:sc= -6.18! C(o=-6.2!,f=-4.7!) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= -0.219 (180deg=-1.25!) USER MOD Single : A 74 CYS SG : rot 23:sc= 0.435 USER MOD Single : A 80 LYS NZ :NH3+ -122:sc= 0.61 (180deg=-0.0338) USER MOD Single : A 84 THR OG1 : rot -104:sc= 0.965 USER MOD Single : A 91 THR OG1 : rot -37:sc= 0.605 USER MOD Single : A 92 THR OG1 : rot -168:sc= 0.33 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.342 36.315 -8.747 1.00 0.00 N ATOM 2 CA GLY A 1 10.441 36.713 -10.179 1.00 0.00 C ATOM 3 C GLY A 1 10.106 35.515 -11.069 1.00 0.00 C ATOM 4 O GLY A 1 10.646 34.438 -10.907 1.00 0.00 O ATOM 0 H1 GLY A 1 10.570 37.131 -8.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.375 35.993 -8.542 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.012 35.543 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.757 37.536 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.447 37.072 -10.398 1.00 0.00 H new ATOM 10 N SER A 2 9.217 35.692 -12.009 1.00 0.00 N ATOM 11 CA SER A 2 8.843 34.564 -12.910 1.00 0.00 C ATOM 12 C SER A 2 8.516 33.315 -12.085 1.00 0.00 C ATOM 13 O SER A 2 7.393 33.112 -11.669 1.00 0.00 O ATOM 14 CB SER A 2 10.070 34.324 -13.788 1.00 0.00 C ATOM 15 OG SER A 2 10.088 32.964 -14.208 1.00 0.00 O ATOM 0 H SER A 2 8.733 36.571 -12.192 1.00 0.00 H new ATOM 0 HA SER A 2 7.960 34.791 -13.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.046 34.984 -14.655 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.979 34.558 -13.234 1.00 0.00 H new ATOM 0 HG SER A 2 10.873 32.807 -14.773 1.00 0.00 H new ATOM 21 N HIS A 3 9.488 32.477 -11.844 1.00 0.00 N ATOM 22 CA HIS A 3 9.224 31.247 -11.045 1.00 0.00 C ATOM 23 C HIS A 3 7.994 30.515 -11.592 1.00 0.00 C ATOM 24 O HIS A 3 8.092 29.710 -12.496 1.00 0.00 O ATOM 25 CB HIS A 3 8.971 31.750 -9.624 1.00 0.00 C ATOM 26 CG HIS A 3 10.285 32.041 -8.951 1.00 0.00 C ATOM 27 ND1 HIS A 3 10.363 32.696 -7.732 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.580 31.777 -9.320 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.666 32.804 -7.414 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.451 32.260 -8.347 1.00 0.00 N ATOM 0 H HIS A 3 10.450 32.591 -12.165 1.00 0.00 H new ATOM 0 HA HIS A 3 10.052 30.539 -11.083 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.357 32.650 -9.650 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.417 31.002 -9.056 1.00 0.00 H new ATOM 0 HD2 HIS A 3 11.878 31.272 -10.227 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.032 33.274 -6.513 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.470 32.209 -8.347 1.00 0.00 H new ATOM 38 N MET A 4 6.835 30.789 -11.055 1.00 0.00 N ATOM 39 CA MET A 4 5.606 30.108 -11.554 1.00 0.00 C ATOM 40 C MET A 4 4.482 31.130 -11.764 1.00 0.00 C ATOM 41 O MET A 4 4.474 31.859 -12.735 1.00 0.00 O ATOM 42 CB MET A 4 5.237 29.100 -10.465 1.00 0.00 C ATOM 43 CG MET A 4 3.939 28.390 -10.856 1.00 0.00 C ATOM 44 SD MET A 4 4.315 26.998 -11.949 1.00 0.00 S ATOM 45 CE MET A 4 3.143 27.414 -13.263 1.00 0.00 C ATOM 0 H MET A 4 6.687 31.453 -10.295 1.00 0.00 H new ATOM 0 HA MET A 4 5.764 29.618 -12.515 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.039 28.373 -10.339 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.114 29.608 -9.509 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.423 28.036 -9.963 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.267 29.088 -11.357 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.208 26.670 -14.057 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.131 27.425 -12.858 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.383 28.398 -13.666 1.00 0.00 H new ATOM 55 N GLN A 5 3.536 31.195 -10.866 1.00 0.00 N ATOM 56 CA GLN A 5 2.423 32.175 -11.029 1.00 0.00 C ATOM 57 C GLN A 5 1.622 32.297 -9.730 1.00 0.00 C ATOM 58 O GLN A 5 2.014 31.790 -8.698 1.00 0.00 O ATOM 59 CB GLN A 5 1.551 31.613 -12.154 1.00 0.00 C ATOM 60 CG GLN A 5 0.898 30.306 -11.702 1.00 0.00 C ATOM 61 CD GLN A 5 -0.394 30.084 -12.490 1.00 0.00 C ATOM 62 OE1 GLN A 5 -1.144 31.011 -12.722 1.00 0.00 O ATOM 63 NE2 GLN A 5 -0.687 28.885 -12.916 1.00 0.00 N ATOM 0 H GLN A 5 3.485 30.614 -10.029 1.00 0.00 H new ATOM 0 HA GLN A 5 2.790 33.174 -11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.784 32.337 -12.428 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.157 31.439 -13.043 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.581 29.472 -11.860 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.683 30.344 -10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.057 28.107 -12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.546 28.727 -13.444 1.00 0.00 H new ATOM 72 N VAL A 6 0.506 32.973 -9.771 1.00 0.00 N ATOM 73 CA VAL A 6 -0.313 33.136 -8.535 1.00 0.00 C ATOM 74 C VAL A 6 -1.480 32.147 -8.527 1.00 0.00 C ATOM 75 O VAL A 6 -1.759 31.492 -9.510 1.00 0.00 O ATOM 76 CB VAL A 6 -0.832 34.573 -8.596 1.00 0.00 C ATOM 77 CG1 VAL A 6 0.344 35.535 -8.774 1.00 0.00 C ATOM 78 CG2 VAL A 6 -1.791 34.719 -9.780 1.00 0.00 C ATOM 0 H VAL A 6 0.126 33.419 -10.606 1.00 0.00 H new ATOM 0 HA VAL A 6 0.266 32.943 -7.632 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.357 34.808 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.027 36.559 -8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.029 35.432 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.869 35.300 -9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.161 35.743 -9.824 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.265 34.483 -10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.630 34.035 -9.655 1.00 0.00 H new ATOM 88 N VAL A 7 -2.165 32.039 -7.419 1.00 0.00 N ATOM 89 CA VAL A 7 -3.318 31.095 -7.338 1.00 0.00 C ATOM 90 C VAL A 7 -4.221 31.248 -8.563 1.00 0.00 C ATOM 91 O VAL A 7 -4.294 32.302 -9.166 1.00 0.00 O ATOM 92 CB VAL A 7 -4.067 31.495 -6.065 1.00 0.00 C ATOM 93 CG1 VAL A 7 -5.173 30.477 -5.780 1.00 0.00 C ATOM 94 CG2 VAL A 7 -3.091 31.528 -4.888 1.00 0.00 C ATOM 0 H VAL A 7 -1.975 32.565 -6.566 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.996 30.054 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.508 32.482 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.706 30.763 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.870 30.453 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.732 29.489 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.624 31.813 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.649 30.541 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.303 32.254 -5.089 1.00 0.00 H new ATOM 104 N LEU A 8 -4.919 30.207 -8.930 1.00 0.00 N ATOM 105 CA LEU A 8 -5.826 30.299 -10.112 1.00 0.00 C ATOM 106 C LEU A 8 -7.274 30.341 -9.622 1.00 0.00 C ATOM 107 O LEU A 8 -7.533 30.135 -8.453 1.00 0.00 O ATOM 108 CB LEU A 8 -5.603 29.035 -10.965 1.00 0.00 C ATOM 109 CG LEU A 8 -4.173 28.484 -10.840 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.157 29.623 -10.722 1.00 0.00 C ATOM 111 CD2 LEU A 8 -4.081 27.576 -9.612 1.00 0.00 C ATOM 0 H LEU A 8 -4.901 29.299 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.622 31.195 -10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.313 28.266 -10.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.810 29.265 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.941 27.912 -11.738 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.153 29.207 -10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.213 30.254 -11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.381 30.220 -9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.067 27.185 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.329 28.147 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.781 26.747 -9.719 1.00 0.00 H new ATOM 123 N PRO A 9 -8.174 30.596 -10.529 1.00 0.00 N ATOM 124 CA PRO A 9 -9.608 30.649 -10.164 1.00 0.00 C ATOM 125 C PRO A 9 -10.137 29.235 -9.893 1.00 0.00 C ATOM 126 O PRO A 9 -10.802 28.643 -10.720 1.00 0.00 O ATOM 127 CB PRO A 9 -10.269 31.261 -11.396 1.00 0.00 C ATOM 128 CG PRO A 9 -9.345 30.945 -12.529 1.00 0.00 C ATOM 129 CD PRO A 9 -7.953 30.860 -11.956 1.00 0.00 C ATOM 0 HA PRO A 9 -9.805 31.224 -9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.259 30.837 -11.564 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.398 32.337 -11.281 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.624 30.004 -13.003 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.399 31.717 -13.297 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.376 30.063 -12.425 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.400 31.787 -12.110 1.00 0.00 H new ATOM 137 N ASN A 10 -9.843 28.694 -8.741 1.00 0.00 N ATOM 138 CA ASN A 10 -10.321 27.318 -8.405 1.00 0.00 C ATOM 139 C ASN A 10 -9.814 26.307 -9.437 1.00 0.00 C ATOM 140 O ASN A 10 -10.559 25.834 -10.273 1.00 0.00 O ATOM 141 CB ASN A 10 -11.848 27.400 -8.445 1.00 0.00 C ATOM 142 CG ASN A 10 -12.334 28.408 -7.402 1.00 0.00 C ATOM 143 OD1 ASN A 10 -11.655 28.667 -6.428 1.00 0.00 O ATOM 144 ND2 ASN A 10 -13.492 28.990 -7.562 1.00 0.00 N ATOM 0 H ASN A 10 -9.290 29.147 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.956 26.988 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.180 27.700 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.280 26.419 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.825 29.661 -6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.063 28.774 -8.379 1.00 0.00 H new ATOM 151 N THR A 11 -8.554 25.972 -9.386 1.00 0.00 N ATOM 152 CA THR A 11 -8.006 24.987 -10.366 1.00 0.00 C ATOM 153 C THR A 11 -6.874 24.173 -9.730 1.00 0.00 C ATOM 154 O THR A 11 -6.399 24.481 -8.652 1.00 0.00 O ATOM 155 CB THR A 11 -7.467 25.821 -11.534 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.160 26.278 -11.222 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.383 27.022 -11.794 1.00 0.00 C ATOM 0 H THR A 11 -7.881 26.335 -8.711 1.00 0.00 H new ATOM 0 HA THR A 11 -8.768 24.279 -10.692 1.00 0.00 H new ATOM 0 HB THR A 11 -7.436 25.201 -12.430 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.693 26.523 -12.048 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.989 27.606 -12.626 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.385 26.669 -12.040 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.427 27.646 -10.901 1.00 0.00 H new ATOM 165 N ALA A 12 -6.438 23.138 -10.396 1.00 0.00 N ATOM 166 CA ALA A 12 -5.335 22.302 -9.842 1.00 0.00 C ATOM 167 C ALA A 12 -4.482 21.747 -10.985 1.00 0.00 C ATOM 168 O ALA A 12 -4.894 21.740 -12.125 1.00 0.00 O ATOM 169 CB ALA A 12 -6.032 21.167 -9.091 1.00 0.00 C ATOM 0 H ALA A 12 -6.799 22.835 -11.301 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.671 22.868 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.283 20.507 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.656 21.583 -8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.655 20.601 -9.784 1.00 0.00 H new ATOM 175 N LEU A 13 -3.297 21.285 -10.696 1.00 0.00 N ATOM 176 CA LEU A 13 -2.435 20.740 -11.786 1.00 0.00 C ATOM 177 C LEU A 13 -1.824 19.397 -11.377 1.00 0.00 C ATOM 178 O LEU A 13 -1.679 19.099 -10.209 1.00 0.00 O ATOM 179 CB LEU A 13 -1.340 21.785 -11.994 1.00 0.00 C ATOM 180 CG LEU A 13 -0.472 21.876 -10.742 1.00 0.00 C ATOM 181 CD1 LEU A 13 0.978 21.548 -11.099 1.00 0.00 C ATOM 182 CD2 LEU A 13 -0.545 23.295 -10.178 1.00 0.00 C ATOM 0 H LEU A 13 -2.890 21.260 -9.761 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.005 20.558 -12.697 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.727 21.517 -12.855 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.786 22.756 -12.210 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.832 21.166 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.597 21.613 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.033 20.538 -11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.339 22.258 -11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.074 23.363 -9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.183 24.002 -10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.578 23.533 -9.923 1.00 0.00 H new ATOM 194 N HIS A 14 -1.468 18.585 -12.337 1.00 0.00 N ATOM 195 CA HIS A 14 -0.864 17.260 -12.020 1.00 0.00 C ATOM 196 C HIS A 14 0.664 17.381 -12.004 1.00 0.00 C ATOM 197 O HIS A 14 1.263 17.798 -12.971 1.00 0.00 O ATOM 198 CB HIS A 14 -1.294 16.335 -13.164 1.00 0.00 C ATOM 199 CG HIS A 14 -2.790 16.365 -13.345 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.500 15.241 -13.740 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.724 17.367 -13.210 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.797 15.588 -13.828 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.988 16.873 -13.516 1.00 0.00 N ATOM 0 H HIS A 14 -1.571 18.785 -13.332 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.183 16.886 -11.047 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.805 16.642 -14.089 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.969 15.316 -12.955 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.508 18.382 -12.912 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.587 14.910 -14.116 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.871 17.383 -13.505 1.00 0.00 H new ATOM 211 N LEU A 15 1.308 17.019 -10.930 1.00 0.00 N ATOM 212 CA LEU A 15 2.798 17.128 -10.911 1.00 0.00 C ATOM 213 C LEU A 15 3.435 15.797 -10.511 1.00 0.00 C ATOM 214 O LEU A 15 2.832 14.978 -9.849 1.00 0.00 O ATOM 215 CB LEU A 15 3.156 18.222 -9.895 1.00 0.00 C ATOM 216 CG LEU A 15 2.086 18.356 -8.809 1.00 0.00 C ATOM 217 CD1 LEU A 15 2.668 19.152 -7.645 1.00 0.00 C ATOM 218 CD2 LEU A 15 0.873 19.104 -9.362 1.00 0.00 C ATOM 0 H LEU A 15 0.879 16.658 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 15 3.176 17.379 -11.902 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.116 17.991 -9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.272 19.175 -10.412 1.00 0.00 H new ATOM 0 HG LEU A 15 1.778 17.364 -8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.916 19.256 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.537 18.630 -7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.967 20.140 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.116 19.195 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.177 20.098 -9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.460 18.553 -10.207 1.00 0.00 H new ATOM 230 N LYS A 16 4.659 15.584 -10.916 1.00 0.00 N ATOM 231 CA LYS A 16 5.352 14.311 -10.568 1.00 0.00 C ATOM 232 C LYS A 16 6.471 14.583 -9.558 1.00 0.00 C ATOM 233 O LYS A 16 7.406 15.307 -9.835 1.00 0.00 O ATOM 234 CB LYS A 16 5.929 13.802 -11.888 1.00 0.00 C ATOM 235 CG LYS A 16 5.518 12.341 -12.100 1.00 0.00 C ATOM 236 CD LYS A 16 6.717 11.551 -12.628 1.00 0.00 C ATOM 237 CE LYS A 16 6.268 10.636 -13.769 1.00 0.00 C ATOM 238 NZ LYS A 16 7.390 9.672 -13.950 1.00 0.00 N ATOM 0 H LYS A 16 5.209 16.238 -11.473 1.00 0.00 H new ATOM 0 HA LYS A 16 4.681 13.583 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.569 14.415 -12.714 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.016 13.887 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.168 11.910 -11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.690 12.283 -12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.489 12.235 -12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.157 10.959 -11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.340 10.121 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.083 11.203 -14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.158 9.009 -14.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.258 10.191 -14.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.538 9.142 -13.067 1.00 0.00 H new ATOM 252 N ALA A 17 6.377 14.015 -8.387 1.00 0.00 N ATOM 253 CA ALA A 17 7.428 14.250 -7.356 1.00 0.00 C ATOM 254 C ALA A 17 8.684 13.429 -7.656 1.00 0.00 C ATOM 255 O ALA A 17 8.656 12.213 -7.687 1.00 0.00 O ATOM 256 CB ALA A 17 6.799 13.805 -6.037 1.00 0.00 C ATOM 0 H ALA A 17 5.618 13.398 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 17 7.741 15.294 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.514 13.948 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.906 14.398 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.528 12.751 -6.100 1.00 0.00 H new ATOM 262 N LEU A 18 9.784 14.098 -7.863 1.00 0.00 N ATOM 263 CA LEU A 18 11.062 13.388 -8.148 1.00 0.00 C ATOM 264 C LEU A 18 12.005 13.534 -6.948 1.00 0.00 C ATOM 265 O LEU A 18 12.628 14.561 -6.760 1.00 0.00 O ATOM 266 CB LEU A 18 11.639 14.103 -9.373 1.00 0.00 C ATOM 267 CG LEU A 18 11.303 13.314 -10.642 1.00 0.00 C ATOM 268 CD1 LEU A 18 12.156 12.045 -10.701 1.00 0.00 C ATOM 269 CD2 LEU A 18 9.821 12.932 -10.630 1.00 0.00 C ATOM 0 H LEU A 18 9.853 15.116 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 18 10.925 12.322 -8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.231 15.111 -9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.720 14.203 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 18 11.513 13.931 -11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.914 11.486 -11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.212 12.316 -10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.950 11.427 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.583 12.371 -11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.611 12.317 -9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.213 13.836 -10.593 1.00 0.00 H new ATOM 281 N LEU A 19 12.110 12.524 -6.128 1.00 0.00 N ATOM 282 CA LEU A 19 13.005 12.621 -4.938 1.00 0.00 C ATOM 283 C LEU A 19 13.270 11.231 -4.352 1.00 0.00 C ATOM 284 O LEU A 19 12.487 10.317 -4.519 1.00 0.00 O ATOM 285 CB LEU A 19 12.228 13.479 -3.939 1.00 0.00 C ATOM 286 CG LEU A 19 13.201 14.316 -3.109 1.00 0.00 C ATOM 287 CD1 LEU A 19 13.749 15.459 -3.966 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.464 14.896 -1.900 1.00 0.00 C ATOM 0 H LEU A 19 11.616 11.637 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 19 13.977 13.049 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.533 14.131 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.632 12.842 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 19 14.025 13.689 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.443 16.057 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.270 15.048 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.925 16.088 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.155 15.494 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.642 15.525 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.070 14.083 -1.290 1.00 0.00 H new ATOM 300 N ASP A 20 14.363 11.065 -3.660 1.00 0.00 N ATOM 301 CA ASP A 20 14.668 9.734 -3.061 1.00 0.00 C ATOM 302 C ASP A 20 14.231 9.700 -1.595 1.00 0.00 C ATOM 303 O ASP A 20 14.900 10.216 -0.721 1.00 0.00 O ATOM 304 CB ASP A 20 16.185 9.578 -3.173 1.00 0.00 C ATOM 305 CG ASP A 20 16.874 10.651 -2.331 1.00 0.00 C ATOM 306 OD1 ASP A 20 16.634 11.821 -2.585 1.00 0.00 O ATOM 307 OD2 ASP A 20 17.631 10.287 -1.446 1.00 0.00 O ATOM 0 H ASP A 20 15.057 11.791 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 20 14.141 8.926 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.485 8.587 -2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.494 9.665 -4.215 1.00 0.00 H new ATOM 312 N PHE A 21 13.113 9.086 -1.320 1.00 0.00 N ATOM 313 CA PHE A 21 12.627 9.003 0.087 1.00 0.00 C ATOM 314 C PHE A 21 12.419 7.540 0.475 1.00 0.00 C ATOM 315 O PHE A 21 11.723 6.807 -0.200 1.00 0.00 O ATOM 316 CB PHE A 21 11.288 9.742 0.094 1.00 0.00 C ATOM 317 CG PHE A 21 11.408 10.996 0.924 1.00 0.00 C ATOM 318 CD1 PHE A 21 11.448 10.910 2.320 1.00 0.00 C ATOM 319 CD2 PHE A 21 11.477 12.246 0.296 1.00 0.00 C ATOM 320 CE1 PHE A 21 11.559 12.075 3.089 1.00 0.00 C ATOM 321 CE2 PHE A 21 11.588 13.410 1.066 1.00 0.00 C ATOM 322 CZ PHE A 21 11.629 13.325 2.462 1.00 0.00 C ATOM 0 H PHE A 21 12.513 8.637 -2.012 1.00 0.00 H new ATOM 0 HA PHE A 21 13.335 9.435 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.995 9.995 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.508 9.098 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.393 9.946 2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.445 12.312 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.591 12.009 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.642 14.374 0.582 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.715 14.223 3.056 1.00 0.00 H new ATOM 332 N GLU A 22 13.008 7.103 1.553 1.00 0.00 N ATOM 333 CA GLU A 22 12.822 5.684 1.960 1.00 0.00 C ATOM 334 C GLU A 22 12.904 5.539 3.480 1.00 0.00 C ATOM 335 O GLU A 22 13.948 5.711 4.078 1.00 0.00 O ATOM 336 CB GLU A 22 13.973 4.935 1.290 1.00 0.00 C ATOM 337 CG GLU A 22 13.613 3.455 1.157 1.00 0.00 C ATOM 338 CD GLU A 22 13.716 2.784 2.528 1.00 0.00 C ATOM 339 OE1 GLU A 22 14.700 3.022 3.208 1.00 0.00 O ATOM 340 OE2 GLU A 22 12.810 2.044 2.874 1.00 0.00 O ATOM 0 H GLU A 22 13.604 7.661 2.164 1.00 0.00 H new ATOM 0 HA GLU A 22 11.846 5.298 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.174 5.361 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.884 5.047 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.602 3.349 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.284 2.968 0.450 1.00 0.00 H new ATOM 347 N ASP A 23 11.809 5.203 4.103 1.00 0.00 N ATOM 348 CA ASP A 23 11.806 5.019 5.580 1.00 0.00 C ATOM 349 C ASP A 23 11.293 3.618 5.917 1.00 0.00 C ATOM 350 O ASP A 23 10.723 2.942 5.083 1.00 0.00 O ATOM 351 CB ASP A 23 10.853 6.088 6.117 1.00 0.00 C ATOM 352 CG ASP A 23 11.657 7.171 6.840 1.00 0.00 C ATOM 353 OD1 ASP A 23 12.223 8.013 6.162 1.00 0.00 O ATOM 354 OD2 ASP A 23 11.695 7.137 8.058 1.00 0.00 O ATOM 0 H ASP A 23 10.909 5.047 3.648 1.00 0.00 H new ATOM 0 HA ASP A 23 12.800 5.116 6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.284 6.528 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.132 5.638 6.800 1.00 0.00 H new ATOM 359 N LYS A 24 11.478 3.174 7.127 1.00 0.00 N ATOM 360 CA LYS A 24 10.985 1.818 7.497 1.00 0.00 C ATOM 361 C LYS A 24 9.544 1.908 8.007 1.00 0.00 C ATOM 362 O LYS A 24 8.948 0.921 8.390 1.00 0.00 O ATOM 363 CB LYS A 24 11.920 1.338 8.605 1.00 0.00 C ATOM 364 CG LYS A 24 11.485 -0.055 9.067 1.00 0.00 C ATOM 365 CD LYS A 24 12.677 -1.012 8.986 1.00 0.00 C ATOM 366 CE LYS A 24 12.777 -1.815 10.285 1.00 0.00 C ATOM 367 NZ LYS A 24 13.177 -0.824 11.321 1.00 0.00 N ATOM 0 H LYS A 24 11.947 3.687 7.873 1.00 0.00 H new ATOM 0 HA LYS A 24 10.983 1.133 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.947 1.309 8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.897 2.035 9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.109 -0.010 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.669 -0.419 8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.559 -1.686 8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.597 -0.451 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.825 -2.283 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.513 -2.615 10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.767 -1.291 12.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.717 -0.055 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.326 -0.432 11.774 1.00 0.00 H new ATOM 381 N ASP A 25 8.979 3.087 8.015 1.00 0.00 N ATOM 382 CA ASP A 25 7.576 3.242 8.501 1.00 0.00 C ATOM 383 C ASP A 25 6.596 3.139 7.329 1.00 0.00 C ATOM 384 O ASP A 25 5.486 2.666 7.476 1.00 0.00 O ATOM 385 CB ASP A 25 7.523 4.642 9.118 1.00 0.00 C ATOM 386 CG ASP A 25 7.227 4.537 10.617 1.00 0.00 C ATOM 387 OD1 ASP A 25 6.990 3.434 11.081 1.00 0.00 O ATOM 388 OD2 ASP A 25 7.241 5.563 11.276 1.00 0.00 O ATOM 0 H ASP A 25 9.428 3.949 7.706 1.00 0.00 H new ATOM 0 HA ASP A 25 7.300 2.468 9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.472 5.155 8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.753 5.237 8.627 1.00 0.00 H new ATOM 393 N GLY A 26 6.995 3.580 6.168 1.00 0.00 N ATOM 394 CA GLY A 26 6.084 3.510 4.991 1.00 0.00 C ATOM 395 C GLY A 26 6.425 4.634 4.009 1.00 0.00 C ATOM 396 O GLY A 26 6.605 4.406 2.830 1.00 0.00 O ATOM 0 H GLY A 26 7.912 3.986 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.182 2.542 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.047 3.599 5.315 1.00 0.00 H new ATOM 400 N ASP A 27 6.514 5.846 4.487 1.00 0.00 N ATOM 401 CA ASP A 27 6.843 6.984 3.579 1.00 0.00 C ATOM 402 C ASP A 27 8.172 6.723 2.863 1.00 0.00 C ATOM 403 O ASP A 27 9.236 6.924 3.413 1.00 0.00 O ATOM 404 CB ASP A 27 6.950 8.202 4.497 1.00 0.00 C ATOM 405 CG ASP A 27 5.577 8.505 5.103 1.00 0.00 C ATOM 406 OD1 ASP A 27 4.649 7.767 4.816 1.00 0.00 O ATOM 407 OD2 ASP A 27 5.478 9.470 5.843 1.00 0.00 O ATOM 0 H ASP A 27 6.373 6.098 5.465 1.00 0.00 H new ATOM 0 HA ASP A 27 6.092 7.127 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.675 8.012 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.310 9.064 3.935 1.00 0.00 H new ATOM 412 N LYS A 28 8.114 6.267 1.641 1.00 0.00 N ATOM 413 CA LYS A 28 9.364 5.977 0.884 1.00 0.00 C ATOM 414 C LYS A 28 9.109 6.103 -0.622 1.00 0.00 C ATOM 415 O LYS A 28 8.506 5.242 -1.230 1.00 0.00 O ATOM 416 CB LYS A 28 9.682 4.530 1.238 1.00 0.00 C ATOM 417 CG LYS A 28 8.505 3.659 0.814 1.00 0.00 C ATOM 418 CD LYS A 28 8.940 2.706 -0.300 1.00 0.00 C ATOM 419 CE LYS A 28 8.333 1.324 -0.054 1.00 0.00 C ATOM 420 NZ LYS A 28 8.695 0.524 -1.257 1.00 0.00 N ATOM 0 H LYS A 28 7.249 6.082 1.132 1.00 0.00 H new ATOM 0 HA LYS A 28 10.175 6.662 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.593 4.208 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.859 4.432 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.135 3.091 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.683 4.286 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.618 3.090 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.027 2.637 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.733 0.873 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.252 1.384 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.313 -0.438 -1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.295 0.973 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.730 0.478 -1.345 1.00 0.00 H new ATOM 434 N VAL A 29 9.563 7.161 -1.230 1.00 0.00 N ATOM 435 CA VAL A 29 9.339 7.321 -2.697 1.00 0.00 C ATOM 436 C VAL A 29 10.678 7.226 -3.439 1.00 0.00 C ATOM 437 O VAL A 29 11.732 7.376 -2.855 1.00 0.00 O ATOM 438 CB VAL A 29 8.689 8.711 -2.874 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.828 9.053 -1.652 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.766 9.787 -3.037 1.00 0.00 C ATOM 0 H VAL A 29 10.077 7.919 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 29 8.697 6.542 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 29 8.065 8.682 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.375 10.035 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.044 8.305 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.452 9.063 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.292 10.761 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.402 9.803 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.372 9.565 -3.915 1.00 0.00 H new ATOM 450 N VAL A 30 10.650 6.973 -4.718 1.00 0.00 N ATOM 451 CA VAL A 30 11.929 6.872 -5.479 1.00 0.00 C ATOM 452 C VAL A 30 11.812 7.593 -6.819 1.00 0.00 C ATOM 453 O VAL A 30 11.653 6.977 -7.856 1.00 0.00 O ATOM 454 CB VAL A 30 12.146 5.381 -5.699 1.00 0.00 C ATOM 455 CG1 VAL A 30 12.370 4.699 -4.352 1.00 0.00 C ATOM 456 CG2 VAL A 30 10.912 4.779 -6.376 1.00 0.00 C ATOM 0 H VAL A 30 9.802 6.832 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 30 12.759 7.332 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 30 13.018 5.230 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.526 3.631 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.248 5.128 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.497 4.850 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.068 3.712 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.039 4.929 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.749 5.267 -7.337 1.00 0.00 H new ATOM 466 N ALA A 31 11.901 8.891 -6.800 1.00 0.00 N ATOM 467 CA ALA A 31 11.804 9.674 -8.067 1.00 0.00 C ATOM 468 C ALA A 31 10.749 9.066 -8.994 1.00 0.00 C ATOM 469 O ALA A 31 11.070 8.490 -10.013 1.00 0.00 O ATOM 470 CB ALA A 31 13.193 9.571 -8.700 1.00 0.00 C ATOM 0 H ALA A 31 12.038 9.450 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 31 11.508 10.708 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.206 10.123 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.934 9.993 -8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.429 8.524 -8.890 1.00 0.00 H new ATOM 476 N GLY A 32 9.492 9.184 -8.655 1.00 0.00 N ATOM 477 CA GLY A 32 8.441 8.604 -9.537 1.00 0.00 C ATOM 478 C GLY A 32 7.046 8.816 -8.936 1.00 0.00 C ATOM 479 O GLY A 32 6.144 8.039 -9.175 1.00 0.00 O ATOM 0 H GLY A 32 9.152 9.652 -7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.491 9.067 -10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.624 7.538 -9.676 1.00 0.00 H new ATOM 483 N ASP A 33 6.847 9.859 -8.173 1.00 0.00 N ATOM 484 CA ASP A 33 5.490 10.090 -7.593 1.00 0.00 C ATOM 485 C ASP A 33 4.715 11.079 -8.462 1.00 0.00 C ATOM 486 O ASP A 33 5.287 11.954 -9.076 1.00 0.00 O ATOM 487 CB ASP A 33 5.723 10.686 -6.203 1.00 0.00 C ATOM 488 CG ASP A 33 4.384 11.140 -5.615 1.00 0.00 C ATOM 489 OD1 ASP A 33 3.652 10.288 -5.138 1.00 0.00 O ATOM 490 OD2 ASP A 33 4.112 12.328 -5.653 1.00 0.00 O ATOM 0 H ASP A 33 7.554 10.552 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 33 4.911 9.168 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.187 9.946 -5.551 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.410 11.530 -6.267 1.00 0.00 H new ATOM 495 N GLU A 34 3.418 10.950 -8.515 1.00 0.00 N ATOM 496 CA GLU A 34 2.607 11.890 -9.341 1.00 0.00 C ATOM 497 C GLU A 34 1.248 12.123 -8.678 1.00 0.00 C ATOM 498 O GLU A 34 0.563 11.191 -8.306 1.00 0.00 O ATOM 499 CB GLU A 34 2.437 11.190 -10.690 1.00 0.00 C ATOM 500 CG GLU A 34 1.872 12.182 -11.710 1.00 0.00 C ATOM 501 CD GLU A 34 1.519 11.444 -13.003 1.00 0.00 C ATOM 502 OE1 GLU A 34 2.355 10.695 -13.482 1.00 0.00 O ATOM 503 OE2 GLU A 34 0.421 11.642 -13.494 1.00 0.00 O ATOM 0 H GLU A 34 2.884 10.234 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 34 3.082 12.865 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.396 10.803 -11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.767 10.336 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.986 12.671 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.602 12.965 -11.914 1.00 0.00 H new ATOM 510 N TRP A 35 0.849 13.358 -8.525 1.00 0.00 N ATOM 511 CA TRP A 35 -0.469 13.628 -7.881 1.00 0.00 C ATOM 512 C TRP A 35 -1.032 14.980 -8.331 1.00 0.00 C ATOM 513 O TRP A 35 -0.367 15.755 -8.991 1.00 0.00 O ATOM 514 CB TRP A 35 -0.182 13.622 -6.377 1.00 0.00 C ATOM 515 CG TRP A 35 0.416 14.929 -5.957 1.00 0.00 C ATOM 516 CD1 TRP A 35 -0.263 15.933 -5.356 1.00 0.00 C ATOM 517 CD2 TRP A 35 1.792 15.388 -6.088 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.609 16.977 -5.109 1.00 0.00 N ATOM 519 CE2 TRP A 35 1.888 16.689 -5.541 1.00 0.00 C ATOM 520 CE3 TRP A 35 2.958 14.809 -6.623 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.094 17.389 -5.523 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.173 15.510 -6.606 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.242 16.797 -6.056 1.00 0.00 C ATOM 0 H TRP A 35 1.373 14.184 -8.815 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.218 12.885 -8.154 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.104 13.442 -5.825 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.500 12.807 -6.133 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.314 15.921 -5.109 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.340 17.853 -4.662 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.917 13.818 -7.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.140 18.382 -5.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.061 15.055 -7.019 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.181 17.330 -6.044 1.00 0.00 H new ATOM 534 N LEU A 36 -2.257 15.262 -7.981 1.00 0.00 N ATOM 535 CA LEU A 36 -2.875 16.554 -8.390 1.00 0.00 C ATOM 536 C LEU A 36 -2.629 17.628 -7.333 1.00 0.00 C ATOM 537 O LEU A 36 -2.418 17.338 -6.173 1.00 0.00 O ATOM 538 CB LEU A 36 -4.368 16.263 -8.504 1.00 0.00 C ATOM 539 CG LEU A 36 -4.775 16.363 -9.966 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.433 17.759 -10.491 1.00 0.00 C ATOM 541 CD2 LEU A 36 -4.007 15.311 -10.765 1.00 0.00 C ATOM 0 H LEU A 36 -2.858 14.651 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.453 16.925 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.589 15.268 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.938 16.972 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.847 16.192 -10.069 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.723 17.835 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.971 18.508 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.360 17.930 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.291 15.373 -11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.936 15.490 -10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.245 14.318 -10.383 1.00 0.00 H new ATOM 553 N PHE A 37 -2.663 18.869 -7.726 1.00 0.00 N ATOM 554 CA PHE A 37 -2.437 19.966 -6.745 1.00 0.00 C ATOM 555 C PHE A 37 -3.512 21.043 -6.907 1.00 0.00 C ATOM 556 O PHE A 37 -3.544 21.757 -7.888 1.00 0.00 O ATOM 557 CB PHE A 37 -1.056 20.522 -7.094 1.00 0.00 C ATOM 558 CG PHE A 37 -0.539 21.380 -5.959 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.382 21.738 -4.899 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.791 21.818 -5.972 1.00 0.00 C ATOM 561 CE1 PHE A 37 -0.897 22.532 -3.853 1.00 0.00 C ATOM 562 CE2 PHE A 37 1.275 22.613 -4.926 1.00 0.00 C ATOM 563 CZ PHE A 37 0.432 22.969 -3.867 1.00 0.00 C ATOM 0 H PHE A 37 -2.838 19.172 -8.684 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.488 19.622 -5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.363 19.703 -7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.113 21.112 -8.009 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.408 21.401 -4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.443 21.543 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.548 22.807 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.300 22.952 -4.936 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.808 23.581 -3.060 1.00 0.00 H new ATOM 573 N GLU A 38 -4.391 21.164 -5.949 1.00 0.00 N ATOM 574 CA GLU A 38 -5.465 22.194 -6.040 1.00 0.00 C ATOM 575 C GLU A 38 -5.048 23.457 -5.279 1.00 0.00 C ATOM 576 O GLU A 38 -4.532 23.389 -4.183 1.00 0.00 O ATOM 577 CB GLU A 38 -6.685 21.541 -5.384 1.00 0.00 C ATOM 578 CG GLU A 38 -7.755 22.598 -5.109 1.00 0.00 C ATOM 579 CD GLU A 38 -7.441 23.313 -3.792 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.484 22.661 -2.762 1.00 0.00 O ATOM 581 OE2 GLU A 38 -7.167 24.502 -3.836 1.00 0.00 O ATOM 0 H GLU A 38 -4.411 20.592 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.669 22.499 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.087 20.765 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.392 21.056 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.789 23.318 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.738 22.130 -5.056 1.00 0.00 H new ATOM 588 N GLY A 39 -5.259 24.610 -5.857 1.00 0.00 N ATOM 589 CA GLY A 39 -4.864 25.873 -5.166 1.00 0.00 C ATOM 590 C GLY A 39 -3.336 25.982 -5.114 1.00 0.00 C ATOM 591 O GLY A 39 -2.773 26.307 -4.087 1.00 0.00 O ATOM 0 H GLY A 39 -5.686 24.732 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.281 26.732 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.273 25.889 -4.156 1.00 0.00 H new ATOM 595 N PRO A 40 -2.712 25.697 -6.229 1.00 0.00 N ATOM 596 CA PRO A 40 -1.227 25.751 -6.311 1.00 0.00 C ATOM 597 C PRO A 40 -0.729 27.201 -6.295 1.00 0.00 C ATOM 598 O PRO A 40 0.054 27.587 -5.451 1.00 0.00 O ATOM 599 CB PRO A 40 -0.924 25.091 -7.652 1.00 0.00 C ATOM 600 CG PRO A 40 -2.166 25.270 -8.465 1.00 0.00 C ATOM 601 CD PRO A 40 -3.322 25.304 -7.504 1.00 0.00 C ATOM 0 HA PRO A 40 -0.737 25.259 -5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.066 25.557 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.684 24.035 -7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.118 26.193 -9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.281 24.453 -9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.083 26.018 -7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.809 24.332 -7.431 1.00 0.00 H new ATOM 609 N GLY A 41 -1.177 28.001 -7.221 1.00 0.00 N ATOM 610 CA GLY A 41 -0.739 29.426 -7.264 1.00 0.00 C ATOM 611 C GLY A 41 0.780 29.531 -7.085 1.00 0.00 C ATOM 612 O GLY A 41 1.529 29.525 -8.040 1.00 0.00 O ATOM 0 H GLY A 41 -1.831 27.729 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.030 29.873 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.243 29.990 -6.479 1.00 0.00 H new ATOM 616 N THR A 42 1.234 29.648 -5.866 1.00 0.00 N ATOM 617 CA THR A 42 2.701 29.778 -5.619 1.00 0.00 C ATOM 618 C THR A 42 3.431 28.448 -5.841 1.00 0.00 C ATOM 619 O THR A 42 4.614 28.340 -5.583 1.00 0.00 O ATOM 620 CB THR A 42 2.815 30.214 -4.160 1.00 0.00 C ATOM 621 OG1 THR A 42 1.794 29.584 -3.397 1.00 0.00 O ATOM 622 CG2 THR A 42 2.658 31.732 -4.071 1.00 0.00 C ATOM 0 H THR A 42 0.652 29.659 -5.029 1.00 0.00 H new ATOM 0 HA THR A 42 3.160 30.490 -6.305 1.00 0.00 H new ATOM 0 HB THR A 42 3.790 29.926 -3.767 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.867 29.862 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.739 32.046 -3.030 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.441 32.214 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.682 32.020 -4.462 1.00 0.00 H new ATOM 630 N TYR A 43 2.757 27.435 -6.316 1.00 0.00 N ATOM 631 CA TYR A 43 3.460 26.137 -6.542 1.00 0.00 C ATOM 632 C TYR A 43 4.445 26.272 -7.705 1.00 0.00 C ATOM 633 O TYR A 43 4.054 26.387 -8.849 1.00 0.00 O ATOM 634 CB TYR A 43 2.368 25.119 -6.896 1.00 0.00 C ATOM 635 CG TYR A 43 2.979 23.983 -7.695 1.00 0.00 C ATOM 636 CD1 TYR A 43 3.723 22.987 -7.049 1.00 0.00 C ATOM 637 CD2 TYR A 43 2.823 23.946 -9.087 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.305 21.953 -7.794 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.407 22.914 -9.830 1.00 0.00 C ATOM 640 CZ TYR A 43 4.148 21.917 -9.184 1.00 0.00 C ATOM 641 OH TYR A 43 4.726 20.900 -9.918 1.00 0.00 O ATOM 0 H TYR A 43 1.765 27.447 -6.554 1.00 0.00 H new ATOM 0 HA TYR A 43 4.025 25.829 -5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.907 24.732 -5.987 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.579 25.601 -7.473 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.848 23.016 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.252 24.714 -9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.875 21.183 -7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.286 22.887 -10.903 1.00 0.00 H new ATOM 0 HH TYR A 43 5.354 21.281 -10.567 1.00 0.00 H new ATOM 651 N ILE A 44 5.712 26.229 -7.429 1.00 0.00 N ATOM 652 CA ILE A 44 6.707 26.323 -8.528 1.00 0.00 C ATOM 653 C ILE A 44 7.317 24.939 -8.764 1.00 0.00 C ATOM 654 O ILE A 44 7.580 24.214 -7.827 1.00 0.00 O ATOM 655 CB ILE A 44 7.757 27.315 -8.031 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.146 28.719 -7.990 1.00 0.00 C ATOM 657 CG2 ILE A 44 8.951 27.310 -8.986 1.00 0.00 C ATOM 658 CD1 ILE A 44 7.312 29.315 -6.590 1.00 0.00 C ATOM 0 H ILE A 44 6.104 26.133 -6.492 1.00 0.00 H new ATOM 0 HA ILE A 44 6.275 26.653 -9.473 1.00 0.00 H new ATOM 0 HB ILE A 44 8.087 27.029 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.631 29.358 -8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.089 28.674 -8.253 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.702 28.017 -8.634 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.383 26.310 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.620 27.599 -9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.876 30.314 -6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.806 28.680 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.372 29.376 -6.344 1.00 0.00 H new ATOM 670 N PRO A 45 7.514 24.612 -10.011 1.00 0.00 N ATOM 671 CA PRO A 45 8.087 23.292 -10.367 1.00 0.00 C ATOM 672 C PRO A 45 9.531 23.197 -9.879 1.00 0.00 C ATOM 673 O PRO A 45 10.469 23.308 -10.643 1.00 0.00 O ATOM 674 CB PRO A 45 8.004 23.263 -11.891 1.00 0.00 C ATOM 675 CG PRO A 45 7.968 24.701 -12.295 1.00 0.00 C ATOM 676 CD PRO A 45 7.234 25.425 -11.197 1.00 0.00 C ATOM 0 HA PRO A 45 7.563 22.452 -9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.863 22.751 -12.325 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.113 22.734 -12.229 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.976 25.097 -12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.459 24.825 -13.251 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.594 26.447 -11.078 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.165 25.485 -11.400 1.00 0.00 H new ATOM 684 N ARG A 46 9.711 22.992 -8.604 1.00 0.00 N ATOM 685 CA ARG A 46 11.090 22.890 -8.051 1.00 0.00 C ATOM 686 C ARG A 46 11.721 21.554 -8.449 1.00 0.00 C ATOM 687 O ARG A 46 11.036 20.576 -8.676 1.00 0.00 O ATOM 688 CB ARG A 46 10.917 22.970 -6.534 1.00 0.00 C ATOM 689 CG ARG A 46 10.999 24.431 -6.086 1.00 0.00 C ATOM 690 CD ARG A 46 9.992 24.677 -4.960 1.00 0.00 C ATOM 691 NE ARG A 46 10.220 26.088 -4.543 1.00 0.00 N ATOM 692 CZ ARG A 46 10.461 26.369 -3.291 1.00 0.00 C ATOM 693 NH1 ARG A 46 9.713 25.861 -2.350 1.00 0.00 N ATOM 694 NH2 ARG A 46 11.450 27.162 -2.981 1.00 0.00 N ATOM 0 H ARG A 46 8.961 22.891 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 46 11.745 23.676 -8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.957 22.543 -6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.690 22.383 -6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.008 24.661 -5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.790 25.093 -6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.969 24.528 -5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.152 23.989 -4.130 1.00 0.00 H new ATOM 0 HE ARG A 46 10.188 26.836 -5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.938 25.243 -2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.903 26.082 -1.372 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.033 27.561 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.640 27.383 -2.003 1.00 0.00 H new ATOM 708 N LYS A 47 13.023 21.505 -8.534 1.00 0.00 N ATOM 709 CA LYS A 47 13.694 20.231 -8.919 1.00 0.00 C ATOM 710 C LYS A 47 13.045 19.055 -8.183 1.00 0.00 C ATOM 711 O LYS A 47 12.945 17.963 -8.707 1.00 0.00 O ATOM 712 CB LYS A 47 15.154 20.401 -8.494 1.00 0.00 C ATOM 713 CG LYS A 47 15.218 20.858 -7.037 1.00 0.00 C ATOM 714 CD LYS A 47 16.603 21.440 -6.749 1.00 0.00 C ATOM 715 CE LYS A 47 17.221 20.721 -5.547 1.00 0.00 C ATOM 716 NZ LYS A 47 18.689 20.731 -5.805 1.00 0.00 N ATOM 0 H LYS A 47 13.649 22.290 -8.354 1.00 0.00 H new ATOM 0 HA LYS A 47 13.610 20.023 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.689 19.459 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.647 21.131 -9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.449 21.607 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.018 20.018 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.245 21.327 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.525 22.508 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.981 21.232 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.843 19.703 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.182 20.255 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.888 20.232 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.022 21.714 -5.877 1.00 0.00 H new ATOM 730 N GLU A 48 12.596 19.270 -6.976 1.00 0.00 N ATOM 731 CA GLU A 48 11.947 18.163 -6.216 1.00 0.00 C ATOM 732 C GLU A 48 10.920 17.455 -7.105 1.00 0.00 C ATOM 733 O GLU A 48 10.936 16.250 -7.246 1.00 0.00 O ATOM 734 CB GLU A 48 11.254 18.842 -5.033 1.00 0.00 C ATOM 735 CG GLU A 48 11.796 18.268 -3.722 1.00 0.00 C ATOM 736 CD GLU A 48 11.827 19.366 -2.658 1.00 0.00 C ATOM 737 OE1 GLU A 48 12.768 20.144 -2.663 1.00 0.00 O ATOM 738 OE2 GLU A 48 10.910 19.412 -1.854 1.00 0.00 O ATOM 0 H GLU A 48 12.650 20.162 -6.484 1.00 0.00 H new ATOM 0 HA GLU A 48 12.663 17.410 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.424 19.918 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.177 18.687 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.169 17.441 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.798 17.867 -3.875 1.00 0.00 H new ATOM 745 N VAL A 49 10.034 18.201 -7.711 1.00 0.00 N ATOM 746 CA VAL A 49 9.007 17.581 -8.601 1.00 0.00 C ATOM 747 C VAL A 49 8.878 18.409 -9.881 1.00 0.00 C ATOM 748 O VAL A 49 9.464 19.466 -10.009 1.00 0.00 O ATOM 749 CB VAL A 49 7.683 17.590 -7.808 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.958 17.396 -6.313 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.949 18.919 -8.016 1.00 0.00 C ATOM 0 H VAL A 49 9.977 19.216 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 49 9.276 16.565 -8.889 1.00 0.00 H new ATOM 0 HB VAL A 49 7.061 16.772 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.015 17.404 -5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.460 16.441 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.594 18.204 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.017 18.912 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.577 19.740 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.730 19.052 -9.076 1.00 0.00 H new ATOM 761 N GLU A 50 8.111 17.947 -10.825 1.00 0.00 N ATOM 762 CA GLU A 50 7.944 18.719 -12.085 1.00 0.00 C ATOM 763 C GLU A 50 6.464 18.782 -12.472 1.00 0.00 C ATOM 764 O GLU A 50 5.799 17.771 -12.577 1.00 0.00 O ATOM 765 CB GLU A 50 8.743 17.948 -13.136 1.00 0.00 C ATOM 766 CG GLU A 50 10.075 18.656 -13.385 1.00 0.00 C ATOM 767 CD GLU A 50 11.095 18.210 -12.335 1.00 0.00 C ATOM 768 OE1 GLU A 50 10.739 17.392 -11.503 1.00 0.00 O ATOM 769 OE2 GLU A 50 12.213 18.694 -12.381 1.00 0.00 O ATOM 0 H GLU A 50 7.593 17.070 -10.779 1.00 0.00 H new ATOM 0 HA GLU A 50 8.291 19.748 -11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.919 16.927 -12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.175 17.882 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.441 18.423 -14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.939 19.736 -13.339 1.00 0.00 H new ATOM 776 N VAL A 51 5.943 19.961 -12.693 1.00 0.00 N ATOM 777 CA VAL A 51 4.509 20.073 -13.080 1.00 0.00 C ATOM 778 C VAL A 51 4.254 19.180 -14.297 1.00 0.00 C ATOM 779 O VAL A 51 5.007 19.188 -15.251 1.00 0.00 O ATOM 780 CB VAL A 51 4.306 21.548 -13.429 1.00 0.00 C ATOM 781 CG1 VAL A 51 5.124 21.897 -14.673 1.00 0.00 C ATOM 782 CG2 VAL A 51 2.823 21.810 -13.700 1.00 0.00 C ATOM 0 H VAL A 51 6.447 20.845 -12.622 1.00 0.00 H new ATOM 0 HA VAL A 51 3.825 19.757 -12.293 1.00 0.00 H new ATOM 0 HB VAL A 51 4.636 22.167 -12.594 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.979 22.948 -14.921 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.180 21.713 -14.477 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.797 21.279 -15.509 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.679 22.861 -13.949 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.491 21.191 -14.533 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.242 21.564 -12.811 1.00 0.00 H new ATOM 792 N VAL A 52 3.217 18.392 -14.265 1.00 0.00 N ATOM 793 CA VAL A 52 2.944 17.482 -15.415 1.00 0.00 C ATOM 794 C VAL A 52 1.705 17.935 -16.199 1.00 0.00 C ATOM 795 O VAL A 52 1.731 18.031 -17.410 1.00 0.00 O ATOM 796 CB VAL A 52 2.711 16.110 -14.779 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.512 15.062 -15.872 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.928 15.726 -13.933 1.00 0.00 C ATOM 0 H VAL A 52 2.548 18.337 -13.497 1.00 0.00 H new ATOM 0 HA VAL A 52 3.766 17.473 -16.130 1.00 0.00 H new ATOM 0 HB VAL A 52 1.822 16.154 -14.149 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.346 14.086 -15.415 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.647 15.330 -16.480 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.400 15.021 -16.503 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.762 14.749 -13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.814 15.687 -14.567 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.075 16.469 -13.149 1.00 0.00 H new ATOM 808 N GLU A 53 0.620 18.204 -15.525 1.00 0.00 N ATOM 809 CA GLU A 53 -0.613 18.640 -16.246 1.00 0.00 C ATOM 810 C GLU A 53 -1.301 19.776 -15.485 1.00 0.00 C ATOM 811 O GLU A 53 -0.936 20.105 -14.376 1.00 0.00 O ATOM 812 CB GLU A 53 -1.522 17.407 -16.281 1.00 0.00 C ATOM 813 CG GLU A 53 -0.687 16.146 -16.520 1.00 0.00 C ATOM 814 CD GLU A 53 -1.602 14.919 -16.529 1.00 0.00 C ATOM 815 OE1 GLU A 53 -2.495 14.875 -17.360 1.00 0.00 O ATOM 816 OE2 GLU A 53 -1.396 14.045 -15.703 1.00 0.00 O ATOM 0 H GLU A 53 0.533 18.142 -14.511 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.386 19.010 -17.246 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.066 17.320 -15.341 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.265 17.516 -17.071 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.156 16.223 -17.469 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.068 16.044 -15.740 1.00 0.00 H new ATOM 823 N ILE A 54 -2.303 20.371 -16.075 1.00 0.00 N ATOM 824 CA ILE A 54 -3.028 21.482 -15.387 1.00 0.00 C ATOM 825 C ILE A 54 -4.532 21.337 -15.644 1.00 0.00 C ATOM 826 O ILE A 54 -4.948 20.883 -16.692 1.00 0.00 O ATOM 827 CB ILE A 54 -2.499 22.795 -15.996 1.00 0.00 C ATOM 828 CG1 ILE A 54 -1.096 22.594 -16.593 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.423 23.863 -14.900 1.00 0.00 C ATOM 830 CD1 ILE A 54 -0.094 22.312 -15.473 1.00 0.00 C ATOM 0 H ILE A 54 -2.652 20.137 -17.004 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.867 21.467 -14.309 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.178 23.109 -16.789 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.107 21.765 -17.301 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.796 23.483 -17.147 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.049 24.795 -15.325 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.416 24.027 -14.483 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.749 23.528 -14.112 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.899 22.170 -15.900 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.075 23.154 -14.782 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.391 21.410 -14.938 1.00 0.00 H new ATOM 842 N ILE A 55 -5.350 21.707 -14.698 1.00 0.00 N ATOM 843 CA ILE A 55 -6.823 21.572 -14.898 1.00 0.00 C ATOM 844 C ILE A 55 -7.559 22.772 -14.282 1.00 0.00 C ATOM 845 O ILE A 55 -7.194 23.266 -13.232 1.00 0.00 O ATOM 846 CB ILE A 55 -7.193 20.258 -14.191 1.00 0.00 C ATOM 847 CG1 ILE A 55 -8.425 19.643 -14.860 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.496 20.511 -12.710 1.00 0.00 C ATOM 849 CD1 ILE A 55 -9.633 20.560 -14.664 1.00 0.00 C ATOM 0 H ILE A 55 -5.066 22.095 -13.799 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.106 21.554 -15.951 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.349 19.573 -14.268 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.237 19.496 -15.924 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.629 18.661 -14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.756 19.570 -12.226 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.617 20.937 -12.226 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.331 21.206 -12.623 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.507 20.118 -15.142 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.826 20.684 -13.599 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.428 21.532 -15.112 1.00 0.00 H new ATOM 861 N GLN A 56 -8.593 23.239 -14.930 1.00 0.00 N ATOM 862 CA GLN A 56 -9.355 24.404 -14.391 1.00 0.00 C ATOM 863 C GLN A 56 -10.760 23.967 -13.956 1.00 0.00 C ATOM 864 O GLN A 56 -11.123 22.812 -14.070 1.00 0.00 O ATOM 865 CB GLN A 56 -9.436 25.390 -15.556 1.00 0.00 C ATOM 866 CG GLN A 56 -8.335 26.443 -15.413 1.00 0.00 C ATOM 867 CD GLN A 56 -6.967 25.777 -15.570 1.00 0.00 C ATOM 868 OE1 GLN A 56 -6.045 26.078 -14.837 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.792 24.883 -16.504 1.00 0.00 N ATOM 0 H GLN A 56 -8.944 22.863 -15.811 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.877 24.842 -13.515 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.326 24.860 -16.502 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.414 25.871 -15.571 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.461 27.221 -16.166 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.405 26.928 -14.439 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.565 24.630 -17.119 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.882 24.437 -16.619 1.00 0.00 H new ATOM 878 N ALA A 57 -11.551 24.881 -13.456 1.00 0.00 N ATOM 879 CA ALA A 57 -12.930 24.515 -13.013 1.00 0.00 C ATOM 880 C ALA A 57 -13.873 24.440 -14.218 1.00 0.00 C ATOM 881 O ALA A 57 -13.813 25.255 -15.117 1.00 0.00 O ATOM 882 CB ALA A 57 -13.358 25.639 -12.069 1.00 0.00 C ATOM 0 H ALA A 57 -11.303 25.863 -13.335 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.959 23.540 -12.526 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.365 25.441 -11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.667 25.690 -11.228 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.348 26.588 -12.605 1.00 0.00 H new ATOM 888 N THR A 58 -14.744 23.466 -14.240 1.00 0.00 N ATOM 889 CA THR A 58 -15.693 23.332 -15.384 1.00 0.00 C ATOM 890 C THR A 58 -16.604 22.121 -15.171 1.00 0.00 C ATOM 891 O THR A 58 -16.662 21.235 -15.997 1.00 0.00 O ATOM 892 CB THR A 58 -14.805 23.102 -16.608 1.00 0.00 C ATOM 893 OG1 THR A 58 -15.611 23.079 -17.779 1.00 0.00 O ATOM 894 CG2 THR A 58 -14.078 21.764 -16.460 1.00 0.00 C ATOM 0 H THR A 58 -14.839 22.756 -13.514 1.00 0.00 H new ATOM 0 HA THR A 58 -16.332 24.208 -15.493 1.00 0.00 H new ATOM 0 HB THR A 58 -14.074 23.907 -16.688 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.271 22.358 -17.708 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.444 21.596 -17.331 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.462 21.782 -15.561 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.809 20.959 -16.383 1.00 0.00 H new ATOM 902 N ILE A 59 -17.308 22.069 -14.072 1.00 0.00 N ATOM 903 CA ILE A 59 -18.199 20.898 -13.817 1.00 0.00 C ATOM 904 C ILE A 59 -19.338 21.270 -12.855 1.00 0.00 C ATOM 905 O ILE A 59 -20.386 21.719 -13.276 1.00 0.00 O ATOM 906 CB ILE A 59 -17.281 19.843 -13.198 1.00 0.00 C ATOM 907 CG1 ILE A 59 -16.443 19.180 -14.296 1.00 0.00 C ATOM 908 CG2 ILE A 59 -18.116 18.775 -12.490 1.00 0.00 C ATOM 909 CD1 ILE A 59 -17.358 18.662 -15.409 1.00 0.00 C ATOM 0 H ILE A 59 -17.306 22.782 -13.343 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.681 20.542 -14.727 1.00 0.00 H new ATOM 0 HB ILE A 59 -16.624 20.327 -12.476 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.730 19.896 -14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -15.864 18.357 -13.877 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -17.455 18.027 -12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -18.710 19.240 -11.703 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -18.779 18.295 -13.210 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.755 18.192 -16.186 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -18.054 17.931 -14.997 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -17.917 19.494 -15.837 1.00 0.00 H new ATOM 921 N ILE A 60 -19.154 21.084 -11.568 1.00 0.00 N ATOM 922 CA ILE A 60 -20.252 21.427 -10.614 1.00 0.00 C ATOM 923 C ILE A 60 -19.900 22.684 -9.805 1.00 0.00 C ATOM 924 O ILE A 60 -19.964 23.788 -10.309 1.00 0.00 O ATOM 925 CB ILE A 60 -20.395 20.206 -9.699 1.00 0.00 C ATOM 926 CG1 ILE A 60 -20.825 18.990 -10.525 1.00 0.00 C ATOM 927 CG2 ILE A 60 -21.457 20.492 -8.634 1.00 0.00 C ATOM 928 CD1 ILE A 60 -21.968 19.383 -11.464 1.00 0.00 C ATOM 0 H ILE A 60 -18.303 20.715 -11.144 1.00 0.00 H new ATOM 0 HA ILE A 60 -21.184 21.649 -11.134 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.438 20.000 -9.220 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -19.981 18.613 -11.102 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.145 18.184 -9.864 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -21.561 19.625 -7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.156 21.357 -8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.412 20.698 -9.118 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -22.272 18.516 -12.050 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -22.815 19.739 -10.877 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.633 20.175 -12.134 1.00 0.00 H new ATOM 940 N ARG A 61 -19.538 22.538 -8.555 1.00 0.00 N ATOM 941 CA ARG A 61 -19.201 23.741 -7.741 1.00 0.00 C ATOM 942 C ARG A 61 -18.519 23.329 -6.431 1.00 0.00 C ATOM 943 O ARG A 61 -18.153 22.188 -6.238 1.00 0.00 O ATOM 944 CB ARG A 61 -20.548 24.408 -7.456 1.00 0.00 C ATOM 945 CG ARG A 61 -20.344 25.907 -7.226 1.00 0.00 C ATOM 946 CD ARG A 61 -21.588 26.673 -7.682 1.00 0.00 C ATOM 947 NE ARG A 61 -22.352 26.947 -6.432 1.00 0.00 N ATOM 948 CZ ARG A 61 -22.996 28.074 -6.290 1.00 0.00 C ATOM 949 NH1 ARG A 61 -23.389 28.739 -7.342 1.00 0.00 N ATOM 950 NH2 ARG A 61 -23.251 28.532 -5.096 1.00 0.00 N ATOM 0 H ARG A 61 -19.462 21.645 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.511 24.408 -8.257 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -21.228 24.248 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -21.010 23.955 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -20.153 26.100 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.470 26.254 -7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -21.317 27.599 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -22.178 26.085 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 61 -22.372 26.252 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -23.193 28.378 -8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.892 29.619 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.947 28.010 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.754 29.412 -4.984 1.00 0.00 H new ATOM 964 N GLN A 62 -18.344 24.260 -5.532 1.00 0.00 N ATOM 965 CA GLN A 62 -17.685 23.943 -4.232 1.00 0.00 C ATOM 966 C GLN A 62 -18.575 23.033 -3.384 1.00 0.00 C ATOM 967 O GLN A 62 -18.172 21.961 -2.978 1.00 0.00 O ATOM 968 CB GLN A 62 -17.515 25.298 -3.548 1.00 0.00 C ATOM 969 CG GLN A 62 -16.576 25.155 -2.351 1.00 0.00 C ATOM 970 CD GLN A 62 -16.547 26.460 -1.544 1.00 0.00 C ATOM 971 OE1 GLN A 62 -15.847 26.554 -0.555 1.00 0.00 O ATOM 972 NE2 GLN A 62 -17.279 27.477 -1.919 1.00 0.00 N ATOM 0 H GLN A 62 -18.631 25.232 -5.643 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.739 23.419 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.113 26.025 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.484 25.675 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -16.906 24.333 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.571 24.908 -2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -17.868 27.403 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -17.261 28.344 -1.382 1.00 0.00 H new ATOM 981 N ASN A 63 -19.776 23.467 -3.107 1.00 0.00 N ATOM 982 CA ASN A 63 -20.713 22.652 -2.273 1.00 0.00 C ATOM 983 C ASN A 63 -20.522 21.152 -2.533 1.00 0.00 C ATOM 984 O ASN A 63 -20.201 20.394 -1.643 1.00 0.00 O ATOM 985 CB ASN A 63 -22.108 23.095 -2.711 1.00 0.00 C ATOM 986 CG ASN A 63 -22.377 24.513 -2.207 1.00 0.00 C ATOM 987 OD1 ASN A 63 -22.491 24.737 -1.018 1.00 0.00 O ATOM 988 ND2 ASN A 63 -22.488 25.489 -3.068 1.00 0.00 N ATOM 0 H ASN A 63 -20.153 24.360 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 63 -20.542 22.802 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -22.186 23.063 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -22.859 22.410 -2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -22.670 26.438 -2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -22.392 25.302 -4.066 1.00 0.00 H new ATOM 995 N GLN A 64 -20.725 20.718 -3.745 1.00 0.00 N ATOM 996 CA GLN A 64 -20.561 19.267 -4.053 1.00 0.00 C ATOM 997 C GLN A 64 -19.183 18.768 -3.604 1.00 0.00 C ATOM 998 O GLN A 64 -18.163 19.341 -3.932 1.00 0.00 O ATOM 999 CB GLN A 64 -20.697 19.168 -5.572 1.00 0.00 C ATOM 1000 CG GLN A 64 -20.378 17.741 -6.023 1.00 0.00 C ATOM 1001 CD GLN A 64 -21.629 16.871 -5.888 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -22.723 17.310 -6.184 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -21.514 15.647 -5.450 1.00 0.00 N ATOM 0 H GLN A 64 -20.997 21.302 -4.535 1.00 0.00 H new ATOM 0 HA GLN A 64 -21.298 18.655 -3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -21.708 19.439 -5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -20.020 19.873 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -20.034 17.744 -7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -19.569 17.330 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -20.596 15.278 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -22.342 15.059 -5.356 1.00 0.00 H new ATOM 1012 N ALA A 65 -19.150 17.692 -2.864 1.00 0.00 N ATOM 1013 CA ALA A 65 -17.849 17.136 -2.400 1.00 0.00 C ATOM 1014 C ALA A 65 -17.543 15.838 -3.154 1.00 0.00 C ATOM 1015 O ALA A 65 -18.426 15.052 -3.440 1.00 0.00 O ATOM 1016 CB ALA A 65 -18.047 16.857 -0.909 1.00 0.00 C ATOM 0 H ALA A 65 -19.974 17.173 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.016 17.816 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.129 16.444 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.294 17.786 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.860 16.142 -0.777 1.00 0.00 H new ATOM 1022 N LEU A 66 -16.300 15.610 -3.486 1.00 0.00 N ATOM 1023 CA LEU A 66 -15.945 14.368 -4.230 1.00 0.00 C ATOM 1024 C LEU A 66 -14.871 13.579 -3.479 1.00 0.00 C ATOM 1025 O LEU A 66 -13.751 14.025 -3.334 1.00 0.00 O ATOM 1026 CB LEU A 66 -15.393 14.854 -5.570 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.548 15.235 -6.496 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.977 16.675 -6.212 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -16.084 15.119 -7.948 1.00 0.00 C ATOM 0 H LEU A 66 -15.517 16.229 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 66 -16.804 13.707 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.740 15.713 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.788 14.073 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 66 -17.392 14.567 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.801 16.946 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.301 16.760 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.136 17.346 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.903 15.389 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.243 15.791 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.775 14.093 -8.150 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.198 12.405 -3.017 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.190 11.585 -2.287 1.00 0.00 C ATOM 1043 C ARG A 67 -13.445 10.687 -3.278 1.00 0.00 C ATOM 1044 O ARG A 67 -14.048 9.953 -4.035 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.004 10.740 -1.304 1.00 0.00 C ATOM 1046 CG ARG A 67 -15.293 11.556 -0.043 1.00 0.00 C ATOM 1047 CD ARG A 67 -16.712 11.252 0.445 1.00 0.00 C ATOM 1048 NE ARG A 67 -16.558 10.915 1.887 1.00 0.00 N ATOM 1049 CZ ARG A 67 -17.614 10.770 2.638 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -18.135 11.806 3.239 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -18.152 9.590 2.788 1.00 0.00 N ATOM 0 H ARG A 67 -16.119 11.977 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.444 12.193 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.939 10.425 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.455 9.835 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.569 11.313 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.189 12.620 -0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.369 12.111 0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.151 10.423 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.627 10.798 2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.716 12.728 3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.961 11.693 3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.746 8.781 2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -18.978 9.477 3.376 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.142 10.746 -3.291 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.374 9.900 -4.248 1.00 0.00 C ATOM 1067 C LEU A 68 -10.496 8.896 -3.496 1.00 0.00 C ATOM 1068 O LEU A 68 -10.080 9.132 -2.378 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.508 10.882 -5.039 1.00 0.00 C ATOM 1070 CG LEU A 68 -11.327 12.124 -5.404 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -10.467 13.069 -6.243 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -12.558 11.709 -6.211 1.00 0.00 C ATOM 0 H LEU A 68 -11.578 11.340 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 68 -12.030 9.318 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.638 11.170 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.135 10.403 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.645 12.629 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.047 13.954 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.589 13.367 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.150 12.561 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.139 12.594 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.241 11.204 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.172 11.033 -5.616 1.00 0.00 H new ATOM 1084 N ARG A 69 -10.205 7.778 -4.106 1.00 0.00 N ATOM 1085 CA ARG A 69 -9.349 6.757 -3.436 1.00 0.00 C ATOM 1086 C ARG A 69 -8.201 6.351 -4.364 1.00 0.00 C ATOM 1087 O ARG A 69 -8.361 6.278 -5.565 1.00 0.00 O ATOM 1088 CB ARG A 69 -10.275 5.568 -3.178 1.00 0.00 C ATOM 1089 CG ARG A 69 -10.450 5.378 -1.672 1.00 0.00 C ATOM 1090 CD ARG A 69 -10.572 3.888 -1.347 1.00 0.00 C ATOM 1091 NE ARG A 69 -11.430 3.835 -0.131 1.00 0.00 N ATOM 1092 CZ ARG A 69 -11.472 2.754 0.600 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -10.723 1.726 0.298 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -12.265 2.699 1.634 1.00 0.00 N ATOM 0 H ARG A 69 -10.524 7.528 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.902 7.129 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.243 5.738 -3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.858 4.665 -3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.600 5.807 -1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.339 5.908 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.022 3.338 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.595 3.442 -1.162 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.988 4.647 0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.103 1.767 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.758 0.883 0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.851 3.500 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.299 1.855 2.206 1.00 0.00 H new ATOM 1108 N ALA A 70 -7.044 6.087 -3.819 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.892 5.688 -4.678 1.00 0.00 C ATOM 1110 C ALA A 70 -6.230 4.421 -5.467 1.00 0.00 C ATOM 1111 O ALA A 70 -6.851 3.507 -4.961 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.741 5.423 -3.708 1.00 0.00 C ATOM 0 H ALA A 70 -6.847 6.130 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.640 6.458 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.855 5.123 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.524 6.330 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.022 4.626 -3.019 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.822 4.359 -6.704 1.00 0.00 N ATOM 1119 CA ARG A 71 -6.114 3.152 -7.528 1.00 0.00 C ATOM 1120 C ARG A 71 -4.835 2.336 -7.739 1.00 0.00 C ATOM 1121 O ARG A 71 -4.880 1.172 -8.085 1.00 0.00 O ATOM 1122 CB ARG A 71 -6.631 3.700 -8.859 1.00 0.00 C ATOM 1123 CG ARG A 71 -7.450 2.624 -9.575 1.00 0.00 C ATOM 1124 CD ARG A 71 -8.927 2.774 -9.208 1.00 0.00 C ATOM 1125 NE ARG A 71 -9.618 1.685 -9.954 1.00 0.00 N ATOM 1126 CZ ARG A 71 -10.793 1.269 -9.566 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -11.871 1.850 -10.018 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -10.891 0.275 -8.726 1.00 0.00 N ATOM 0 H ARG A 71 -5.298 5.093 -7.181 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.837 2.489 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.245 4.584 -8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.795 4.011 -9.485 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.322 2.713 -10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.094 1.633 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.079 2.675 -8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.308 3.754 -9.495 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.172 1.264 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.795 2.628 -10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.790 1.526 -9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.049 -0.178 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.810 -0.049 -8.424 1.00 0.00 H new ATOM 1142 N LYS A 72 -3.692 2.936 -7.528 1.00 0.00 N ATOM 1143 CA LYS A 72 -2.412 2.190 -7.714 1.00 0.00 C ATOM 1144 C LYS A 72 -1.710 1.997 -6.360 1.00 0.00 C ATOM 1145 O LYS A 72 -2.046 1.110 -5.602 1.00 0.00 O ATOM 1146 CB LYS A 72 -1.568 3.070 -8.642 1.00 0.00 C ATOM 1147 CG LYS A 72 -2.258 3.214 -10.000 1.00 0.00 C ATOM 1148 CD LYS A 72 -2.284 1.859 -10.711 1.00 0.00 C ATOM 1149 CE LYS A 72 -1.167 1.807 -11.756 1.00 0.00 C ATOM 1150 NZ LYS A 72 0.072 1.497 -10.988 1.00 0.00 N ATOM 0 H LYS A 72 -3.590 3.908 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.569 1.196 -8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.424 4.052 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.579 2.631 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.274 3.584 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.730 3.946 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.156 1.054 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.251 1.706 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.366 1.043 -12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.076 2.757 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.737 0.978 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.514 2.383 -10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.169 0.913 -10.162 1.00 0.00 H new ATOM 1164 N GLU A 73 -0.745 2.826 -6.052 1.00 0.00 N ATOM 1165 CA GLU A 73 -0.023 2.702 -4.750 1.00 0.00 C ATOM 1166 C GLU A 73 1.232 3.582 -4.761 1.00 0.00 C ATOM 1167 O GLU A 73 2.302 3.159 -4.370 1.00 0.00 O ATOM 1168 CB GLU A 73 0.366 1.226 -4.623 1.00 0.00 C ATOM 1169 CG GLU A 73 0.875 0.705 -5.967 1.00 0.00 C ATOM 1170 CD GLU A 73 2.041 -0.258 -5.734 1.00 0.00 C ATOM 1171 OE1 GLU A 73 2.680 -0.144 -4.700 1.00 0.00 O ATOM 1172 OE2 GLU A 73 2.277 -1.093 -6.592 1.00 0.00 O ATOM 0 H GLU A 73 -0.425 3.588 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.643 3.024 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.137 1.108 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.494 0.641 -4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.071 0.197 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.197 1.537 -6.593 1.00 0.00 H new ATOM 1179 N CYS A 74 1.110 4.802 -5.210 1.00 0.00 N ATOM 1180 CA CYS A 74 2.304 5.705 -5.250 1.00 0.00 C ATOM 1181 C CYS A 74 1.897 7.188 -5.198 1.00 0.00 C ATOM 1182 O CYS A 74 2.702 8.043 -4.883 1.00 0.00 O ATOM 1183 CB CYS A 74 2.990 5.390 -6.579 1.00 0.00 C ATOM 1184 SG CYS A 74 4.008 3.904 -6.397 1.00 0.00 S ATOM 0 H CYS A 74 0.241 5.214 -5.550 1.00 0.00 H new ATOM 0 HA CYS A 74 2.955 5.541 -4.391 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.243 5.239 -7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.609 6.232 -6.889 1.00 0.00 H new ATOM 0 HG CYS A 74 3.567 3.195 -5.401 1.00 0.00 H new ATOM 1190 N TRP A 75 0.669 7.511 -5.514 1.00 0.00 N ATOM 1191 CA TRP A 75 0.241 8.939 -5.491 1.00 0.00 C ATOM 1192 C TRP A 75 0.073 9.436 -4.048 1.00 0.00 C ATOM 1193 O TRP A 75 -0.715 8.912 -3.287 1.00 0.00 O ATOM 1194 CB TRP A 75 -1.100 8.939 -6.244 1.00 0.00 C ATOM 1195 CG TRP A 75 -2.052 9.937 -5.651 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -2.111 11.244 -5.988 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -3.072 9.730 -4.631 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -3.103 11.854 -5.242 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.725 10.963 -4.391 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.493 8.605 -3.898 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.756 11.077 -3.458 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.531 8.718 -2.957 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -5.160 9.951 -2.740 1.00 0.00 C ATOM 0 H TRP A 75 -0.055 6.846 -5.787 1.00 0.00 H new ATOM 0 HA TRP A 75 0.972 9.606 -5.948 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.931 9.173 -7.295 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.542 7.943 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -1.486 11.733 -6.720 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -3.345 12.842 -5.312 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.016 7.650 -4.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.238 12.029 -3.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.846 7.849 -2.398 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.958 10.030 -2.017 1.00 0.00 H new ATOM 1214 N ASP A 76 0.797 10.460 -3.678 1.00 0.00 N ATOM 1215 CA ASP A 76 0.664 11.005 -2.297 1.00 0.00 C ATOM 1216 C ASP A 76 -0.040 12.365 -2.345 1.00 0.00 C ATOM 1217 O ASP A 76 0.403 13.281 -3.010 1.00 0.00 O ATOM 1218 CB ASP A 76 2.094 11.153 -1.780 1.00 0.00 C ATOM 1219 CG ASP A 76 2.065 11.661 -0.337 1.00 0.00 C ATOM 1220 OD1 ASP A 76 1.925 12.859 -0.154 1.00 0.00 O ATOM 1221 OD2 ASP A 76 2.183 10.843 0.561 1.00 0.00 O ATOM 0 H ASP A 76 1.473 10.941 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 76 0.072 10.358 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.611 10.195 -1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.650 11.847 -2.410 1.00 0.00 H new ATOM 1226 N ARG A 77 -1.140 12.499 -1.652 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.880 13.795 -1.665 1.00 0.00 C ATOM 1228 C ARG A 77 -0.961 14.945 -1.240 1.00 0.00 C ATOM 1229 O ARG A 77 -1.146 16.078 -1.636 1.00 0.00 O ATOM 1230 CB ARG A 77 -3.013 13.616 -0.653 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.880 12.420 -1.056 1.00 0.00 C ATOM 1232 CD ARG A 77 -4.432 11.743 0.201 1.00 0.00 C ATOM 1233 NE ARG A 77 -3.231 11.374 0.999 1.00 0.00 N ATOM 1234 CZ ARG A 77 -3.104 11.810 2.223 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -4.087 11.674 3.071 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -1.994 12.381 2.600 1.00 0.00 N ATOM 0 H ARG A 77 -1.558 11.767 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.252 14.041 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.602 13.460 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.621 14.520 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.700 12.750 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.291 11.709 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.084 12.416 0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.023 10.863 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.508 10.781 0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.955 11.227 2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.987 12.015 4.027 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.225 12.487 1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.895 12.722 3.556 1.00 0.00 H new ATOM 1250 N ASP A 78 0.026 14.664 -0.435 1.00 0.00 N ATOM 1251 CA ASP A 78 0.950 15.747 0.013 1.00 0.00 C ATOM 1252 C ASP A 78 2.116 15.886 -0.967 1.00 0.00 C ATOM 1253 O ASP A 78 2.606 16.970 -1.216 1.00 0.00 O ATOM 1254 CB ASP A 78 1.451 15.300 1.385 1.00 0.00 C ATOM 1255 CG ASP A 78 2.245 16.435 2.033 1.00 0.00 C ATOM 1256 OD1 ASP A 78 3.338 16.709 1.567 1.00 0.00 O ATOM 1257 OD2 ASP A 78 1.744 17.013 2.985 1.00 0.00 O ATOM 0 H ASP A 78 0.233 13.735 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 78 0.457 16.718 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.609 15.023 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.079 14.414 1.284 1.00 0.00 H new ATOM 1262 N GLY A 79 2.566 14.797 -1.527 1.00 0.00 N ATOM 1263 CA GLY A 79 3.701 14.869 -2.491 1.00 0.00 C ATOM 1264 C GLY A 79 4.527 13.586 -2.409 1.00 0.00 C ATOM 1265 O GLY A 79 4.991 13.072 -3.406 1.00 0.00 O ATOM 0 H GLY A 79 2.197 13.861 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.323 15.005 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.328 15.732 -2.266 1.00 0.00 H new ATOM 1269 N LYS A 80 4.714 13.066 -1.226 1.00 0.00 N ATOM 1270 CA LYS A 80 5.510 11.812 -1.074 1.00 0.00 C ATOM 1271 C LYS A 80 4.864 10.677 -1.880 1.00 0.00 C ATOM 1272 O LYS A 80 4.492 10.853 -3.023 1.00 0.00 O ATOM 1273 CB LYS A 80 5.473 11.506 0.426 1.00 0.00 C ATOM 1274 CG LYS A 80 5.907 12.744 1.214 1.00 0.00 C ATOM 1275 CD LYS A 80 7.274 12.492 1.855 1.00 0.00 C ATOM 1276 CE LYS A 80 8.351 13.246 1.071 1.00 0.00 C ATOM 1277 NZ LYS A 80 8.623 14.470 1.874 1.00 0.00 N ATOM 0 H LYS A 80 4.350 13.455 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 80 6.531 11.916 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.467 11.209 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.133 10.669 0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.958 13.609 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.170 12.974 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.267 12.822 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.494 11.424 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.251 12.642 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.005 13.500 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.449 15.313 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.997 14.487 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.614 14.466 2.189 1.00 0.00 H new ATOM 1291 N GLU A 81 4.720 9.516 -1.299 1.00 0.00 N ATOM 1292 CA GLU A 81 4.095 8.387 -2.048 1.00 0.00 C ATOM 1293 C GLU A 81 3.192 7.573 -1.115 1.00 0.00 C ATOM 1294 O GLU A 81 3.507 7.362 0.040 1.00 0.00 O ATOM 1295 CB GLU A 81 5.273 7.543 -2.548 1.00 0.00 C ATOM 1296 CG GLU A 81 5.805 6.668 -1.410 1.00 0.00 C ATOM 1297 CD GLU A 81 5.031 5.351 -1.376 1.00 0.00 C ATOM 1298 OE1 GLU A 81 5.088 4.627 -2.357 1.00 0.00 O ATOM 1299 OE2 GLU A 81 4.392 5.085 -0.370 1.00 0.00 O ATOM 0 H GLU A 81 5.006 9.301 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 81 3.467 8.728 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.956 6.917 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.065 8.192 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.868 6.474 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.701 7.188 -0.458 1.00 0.00 H new ATOM 1306 N ARG A 82 2.072 7.114 -1.602 1.00 0.00 N ATOM 1307 CA ARG A 82 1.155 6.317 -0.736 1.00 0.00 C ATOM 1308 C ARG A 82 0.632 5.098 -1.499 1.00 0.00 C ATOM 1309 O ARG A 82 0.726 5.027 -2.707 1.00 0.00 O ATOM 1310 CB ARG A 82 0.012 7.270 -0.389 1.00 0.00 C ATOM 1311 CG ARG A 82 0.380 8.069 0.861 1.00 0.00 C ATOM 1312 CD ARG A 82 0.719 7.107 2.001 1.00 0.00 C ATOM 1313 NE ARG A 82 0.545 7.912 3.241 1.00 0.00 N ATOM 1314 CZ ARG A 82 1.581 8.460 3.811 1.00 0.00 C ATOM 1315 NH1 ARG A 82 2.524 8.989 3.080 1.00 0.00 N ATOM 1316 NH2 ARG A 82 1.674 8.482 5.111 1.00 0.00 N ATOM 0 H ARG A 82 1.752 7.255 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 82 1.653 5.938 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.179 7.946 -1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.906 6.708 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.231 8.718 0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.449 8.714 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.059 6.240 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.739 6.732 1.912 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.384 8.035 3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.450 8.973 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.335 9.418 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.936 8.070 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.485 8.911 5.557 1.00 0.00 H new ATOM 1330 N VAL A 83 0.088 4.136 -0.802 1.00 0.00 N ATOM 1331 CA VAL A 83 -0.433 2.919 -1.490 1.00 0.00 C ATOM 1332 C VAL A 83 -1.876 3.133 -1.955 1.00 0.00 C ATOM 1333 O VAL A 83 -2.451 4.188 -1.771 1.00 0.00 O ATOM 1334 CB VAL A 83 -0.373 1.810 -0.440 1.00 0.00 C ATOM 1335 CG1 VAL A 83 1.058 1.684 0.086 1.00 0.00 C ATOM 1336 CG2 VAL A 83 -1.316 2.154 0.717 1.00 0.00 C ATOM 0 H VAL A 83 -0.018 4.140 0.212 1.00 0.00 H new ATOM 0 HA VAL A 83 0.150 2.677 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.679 0.865 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.102 0.893 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.729 1.441 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.364 2.628 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.275 1.364 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.010 3.098 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.335 2.245 0.341 1.00 0.00 H new ATOM 1346 N THR A 84 -2.461 2.135 -2.559 1.00 0.00 N ATOM 1347 CA THR A 84 -3.865 2.265 -3.045 1.00 0.00 C ATOM 1348 C THR A 84 -4.819 2.496 -1.868 1.00 0.00 C ATOM 1349 O THR A 84 -5.876 3.078 -2.016 1.00 0.00 O ATOM 1350 CB THR A 84 -4.178 0.930 -3.725 1.00 0.00 C ATOM 1351 OG1 THR A 84 -3.024 0.100 -3.710 1.00 0.00 O ATOM 1352 CG2 THR A 84 -4.608 1.182 -5.169 1.00 0.00 C ATOM 0 H THR A 84 -2.025 1.230 -2.738 1.00 0.00 H new ATOM 0 HA THR A 84 -3.985 3.110 -3.723 1.00 0.00 H new ATOM 0 HB THR A 84 -4.985 0.432 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.618 0.088 -4.602 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.831 0.231 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.498 1.812 -5.179 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.803 1.683 -5.706 1.00 0.00 H new ATOM 1360 N GLY A 85 -4.456 2.035 -0.702 1.00 0.00 N ATOM 1361 CA GLY A 85 -5.340 2.214 0.485 1.00 0.00 C ATOM 1362 C GLY A 85 -5.480 3.703 0.812 1.00 0.00 C ATOM 1363 O GLY A 85 -6.496 4.143 1.315 1.00 0.00 O ATOM 0 H GLY A 85 -3.583 1.541 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.321 1.783 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.925 1.682 1.341 1.00 0.00 H new ATOM 1367 N GLU A 86 -4.471 4.480 0.535 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.554 5.938 0.836 1.00 0.00 C ATOM 1369 C GLU A 86 -5.697 6.577 0.040 1.00 0.00 C ATOM 1370 O GLU A 86 -6.055 6.117 -1.027 1.00 0.00 O ATOM 1371 CB GLU A 86 -3.201 6.505 0.404 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.284 8.030 0.323 1.00 0.00 C ATOM 1373 CD GLU A 86 -3.346 8.613 1.736 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -2.384 8.441 2.468 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -4.352 9.221 2.063 1.00 0.00 O ATOM 0 H GLU A 86 -3.595 4.171 0.115 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.758 6.137 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.429 6.210 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.916 6.095 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.417 8.424 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.166 8.327 -0.244 1.00 0.00 H new ATOM 1382 N GLU A 87 -6.279 7.630 0.553 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.406 8.292 -0.174 1.00 0.00 C ATOM 1384 C GLU A 87 -7.409 9.797 0.115 1.00 0.00 C ATOM 1385 O GLU A 87 -6.708 10.272 0.987 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.691 7.654 0.376 1.00 0.00 C ATOM 1387 CG GLU A 87 -8.434 6.203 0.802 1.00 0.00 C ATOM 1388 CD GLU A 87 -9.757 5.543 1.193 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -10.791 6.134 0.930 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -9.713 4.458 1.749 1.00 0.00 O ATOM 0 H GLU A 87 -6.024 8.060 1.442 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.317 8.162 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.054 8.230 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.472 7.683 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.967 5.651 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.740 6.177 1.642 1.00 0.00 H new ATOM 1397 N TRP A 88 -8.198 10.549 -0.604 1.00 0.00 N ATOM 1398 CA TRP A 88 -8.250 12.021 -0.364 1.00 0.00 C ATOM 1399 C TRP A 88 -9.597 12.585 -0.852 1.00 0.00 C ATOM 1400 O TRP A 88 -10.027 12.328 -1.959 1.00 0.00 O ATOM 1401 CB TRP A 88 -7.046 12.587 -1.146 1.00 0.00 C ATOM 1402 CG TRP A 88 -7.472 13.605 -2.165 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -7.788 13.332 -3.451 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.624 15.047 -2.005 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.126 14.512 -4.089 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.040 15.597 -3.241 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -7.444 15.922 -0.918 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.270 16.965 -3.394 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -7.674 17.300 -1.069 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -8.085 17.820 -2.304 1.00 0.00 C ATOM 0 H TRP A 88 -8.809 10.209 -1.347 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.186 12.292 0.690 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.342 13.042 -0.450 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.520 11.772 -1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.778 12.353 -3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -8.405 14.573 -5.068 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.127 15.532 0.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.589 17.360 -4.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -7.533 17.963 -0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.259 18.880 -2.413 1.00 0.00 H new ATOM 1421 N LEU A 89 -10.261 13.349 -0.025 1.00 0.00 N ATOM 1422 CA LEU A 89 -11.576 13.930 -0.428 1.00 0.00 C ATOM 1423 C LEU A 89 -11.399 15.404 -0.807 1.00 0.00 C ATOM 1424 O LEU A 89 -10.710 16.147 -0.136 1.00 0.00 O ATOM 1425 CB LEU A 89 -12.466 13.779 0.814 1.00 0.00 C ATOM 1426 CG LEU A 89 -13.663 14.739 0.750 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.227 16.144 1.171 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -14.228 14.781 -0.671 1.00 0.00 C ATOM 0 H LEU A 89 -9.949 13.596 0.914 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.011 13.435 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.822 12.752 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.881 13.979 1.712 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.436 14.382 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.081 16.820 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.843 16.116 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.446 16.499 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.076 15.465 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.456 15.126 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.555 13.783 -0.962 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.011 15.831 -1.879 1.00 0.00 N ATOM 1441 CA VAL A 90 -11.869 17.255 -2.297 1.00 0.00 C ATOM 1442 C VAL A 90 -13.194 18.002 -2.122 1.00 0.00 C ATOM 1443 O VAL A 90 -14.248 17.518 -2.482 1.00 0.00 O ATOM 1444 CB VAL A 90 -11.480 17.201 -3.774 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -12.691 16.780 -4.609 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.013 18.587 -4.223 1.00 0.00 C ATOM 0 H VAL A 90 -12.601 15.257 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.128 17.783 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.676 16.478 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.412 16.742 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.030 15.795 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.496 17.503 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.734 18.554 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.821 19.306 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.151 18.891 -3.629 1.00 0.00 H new ATOM 1456 N THR A 91 -13.140 19.186 -1.576 1.00 0.00 N ATOM 1457 CA THR A 91 -14.384 19.982 -1.377 1.00 0.00 C ATOM 1458 C THR A 91 -14.096 21.458 -1.653 1.00 0.00 C ATOM 1459 O THR A 91 -14.854 22.333 -1.281 1.00 0.00 O ATOM 1460 CB THR A 91 -14.760 19.770 0.089 1.00 0.00 C ATOM 1461 OG1 THR A 91 -15.993 20.423 0.358 1.00 0.00 O ATOM 1462 CG2 THR A 91 -13.669 20.351 0.988 1.00 0.00 C ATOM 0 H THR A 91 -12.283 19.638 -1.258 1.00 0.00 H new ATOM 0 HA THR A 91 -15.190 19.679 -2.046 1.00 0.00 H new ATOM 0 HB THR A 91 -14.860 18.703 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.035 21.263 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.939 20.199 2.033 1.00 0.00 H new ATOM 0 HG22 THR A 91 -12.723 19.851 0.781 1.00 0.00 H new ATOM 0 HG23 THR A 91 -13.566 21.418 0.792 1.00 0.00 H new ATOM 1470 N THR A 92 -13.001 21.739 -2.306 1.00 0.00 N ATOM 1471 CA THR A 92 -12.652 23.154 -2.615 1.00 0.00 C ATOM 1472 C THR A 92 -13.525 23.666 -3.760 1.00 0.00 C ATOM 1473 O THR A 92 -14.220 22.908 -4.408 1.00 0.00 O ATOM 1474 CB THR A 92 -11.184 23.108 -3.042 1.00 0.00 C ATOM 1475 OG1 THR A 92 -10.484 22.168 -2.238 1.00 0.00 O ATOM 1476 CG2 THR A 92 -10.557 24.494 -2.872 1.00 0.00 C ATOM 0 H THR A 92 -12.331 21.046 -2.640 1.00 0.00 H new ATOM 0 HA THR A 92 -12.811 23.820 -1.767 1.00 0.00 H new ATOM 0 HB THR A 92 -11.121 22.808 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.520 22.270 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 92 -9.511 24.460 -3.177 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.092 25.214 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.621 24.797 -1.827 1.00 0.00 H new ATOM 1484 N VAL A 93 -13.491 24.943 -4.026 1.00 0.00 N ATOM 1485 CA VAL A 93 -14.320 25.483 -5.143 1.00 0.00 C ATOM 1486 C VAL A 93 -13.617 25.197 -6.472 1.00 0.00 C ATOM 1487 O VAL A 93 -12.405 25.167 -6.545 1.00 0.00 O ATOM 1488 CB VAL A 93 -14.444 27.000 -4.910 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -15.791 27.480 -5.449 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -14.367 27.333 -3.413 1.00 0.00 C ATOM 0 H VAL A 93 -12.931 25.631 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.307 25.022 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.622 27.497 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -15.886 28.554 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.853 27.267 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -16.597 26.962 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -14.457 28.410 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -15.178 26.831 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -13.411 26.995 -3.014 1.00 0.00 H new ATOM 1500 N GLY A 94 -14.360 24.980 -7.522 1.00 0.00 N ATOM 1501 CA GLY A 94 -13.714 24.692 -8.835 1.00 0.00 C ATOM 1502 C GLY A 94 -14.626 23.805 -9.688 1.00 0.00 C ATOM 1503 O GLY A 94 -14.411 23.645 -10.872 1.00 0.00 O ATOM 0 H GLY A 94 -15.380 24.989 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.507 25.625 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.756 24.196 -8.677 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.642 23.227 -9.095 1.00 0.00 N ATOM 1508 CA ALA A 95 -16.587 22.348 -9.864 1.00 0.00 C ATOM 1509 C ALA A 95 -15.986 20.956 -10.121 1.00 0.00 C ATOM 1510 O ALA A 95 -16.694 19.968 -10.124 1.00 0.00 O ATOM 1511 CB ALA A 95 -16.851 23.081 -11.178 1.00 0.00 C ATOM 0 H ALA A 95 -15.861 23.325 -8.104 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.506 22.175 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.535 22.494 -11.791 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -17.295 24.054 -10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -15.911 23.218 -11.713 1.00 0.00 H new ATOM 1517 N TYR A 96 -14.698 20.865 -10.336 1.00 0.00 N ATOM 1518 CA TYR A 96 -14.072 19.531 -10.583 1.00 0.00 C ATOM 1519 C TYR A 96 -12.649 19.495 -10.013 1.00 0.00 C ATOM 1520 O TYR A 96 -11.953 20.491 -9.990 1.00 0.00 O ATOM 1521 CB TYR A 96 -14.040 19.368 -12.102 1.00 0.00 C ATOM 1522 CG TYR A 96 -14.165 17.904 -12.453 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -15.094 17.100 -11.781 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -13.354 17.352 -13.451 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -15.210 15.743 -12.105 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -13.471 15.995 -13.775 1.00 0.00 C ATOM 1527 CZ TYR A 96 -14.398 15.191 -13.103 1.00 0.00 C ATOM 1528 OH TYR A 96 -14.511 13.852 -13.421 1.00 0.00 O ATOM 0 H TYR A 96 -14.054 21.656 -10.351 1.00 0.00 H new ATOM 0 HA TYR A 96 -14.630 18.728 -10.102 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.854 19.933 -12.556 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -13.110 19.771 -12.502 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.721 17.527 -11.012 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.639 17.972 -13.971 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.925 15.123 -11.586 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -12.845 15.568 -14.545 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.877 13.631 -14.134 1.00 0.00 H new ATOM 1538 N LEU A 97 -12.215 18.350 -9.555 1.00 0.00 N ATOM 1539 CA LEU A 97 -10.837 18.237 -8.985 1.00 0.00 C ATOM 1540 C LEU A 97 -10.398 16.766 -8.968 1.00 0.00 C ATOM 1541 O LEU A 97 -10.121 16.214 -7.922 1.00 0.00 O ATOM 1542 CB LEU A 97 -10.956 18.777 -7.557 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.786 19.717 -7.252 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -8.468 19.048 -7.644 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -9.952 21.016 -8.045 1.00 0.00 C ATOM 0 H LEU A 97 -12.756 17.485 -9.551 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.098 18.786 -9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.900 19.308 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.964 17.950 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.775 19.939 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.639 19.721 -7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.346 18.125 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.478 18.820 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.119 21.684 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.968 20.792 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.888 21.498 -7.762 1.00 0.00 H new ATOM 1557 N PRO A 98 -10.362 16.179 -10.136 1.00 0.00 N ATOM 1558 CA PRO A 98 -9.965 14.754 -10.264 1.00 0.00 C ATOM 1559 C PRO A 98 -8.445 14.600 -10.144 1.00 0.00 C ATOM 1560 O PRO A 98 -7.692 15.429 -10.615 1.00 0.00 O ATOM 1561 CB PRO A 98 -10.430 14.381 -11.668 1.00 0.00 C ATOM 1562 CG PRO A 98 -10.456 15.671 -12.427 1.00 0.00 C ATOM 1563 CD PRO A 98 -10.684 16.782 -11.433 1.00 0.00 C ATOM 0 HA PRO A 98 -10.396 14.122 -9.487 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.751 13.665 -12.131 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.416 13.917 -11.646 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.517 15.821 -12.959 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.248 15.659 -13.176 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.045 17.640 -11.642 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -11.714 17.137 -11.462 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.990 13.543 -9.524 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.518 13.335 -9.378 1.00 0.00 C ATOM 1573 C ALA A 99 -5.993 12.436 -10.502 1.00 0.00 C ATOM 1574 O ALA A 99 -6.537 12.404 -11.588 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.348 12.648 -8.023 1.00 0.00 C ATOM 0 H ALA A 99 -8.573 12.815 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.963 14.271 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.290 12.460 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.743 13.291 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.890 11.702 -8.024 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.940 11.704 -10.250 1.00 0.00 N ATOM 1582 CA VAL A 100 -4.383 10.808 -11.310 1.00 0.00 C ATOM 1583 C VAL A 100 -4.493 9.338 -10.883 1.00 0.00 C ATOM 1584 O VAL A 100 -5.221 8.567 -11.475 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.909 11.213 -11.499 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -2.803 12.194 -12.667 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.355 11.884 -10.232 1.00 0.00 C ATOM 0 H VAL A 100 -4.442 11.686 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.937 10.911 -12.243 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.327 10.314 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.761 12.484 -12.805 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.171 11.718 -13.576 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.401 13.080 -12.453 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.313 12.160 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.937 12.778 -10.010 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.422 11.190 -9.394 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.781 8.940 -9.862 1.00 0.00 N ATOM 1598 CA PHE A 101 -3.856 7.520 -9.411 1.00 0.00 C ATOM 1599 C PHE A 101 -5.104 7.309 -8.550 1.00 0.00 C ATOM 1600 O PHE A 101 -5.585 6.204 -8.399 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.595 7.310 -8.573 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.388 7.071 -9.462 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.515 7.055 -10.859 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.133 6.858 -8.874 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.391 6.827 -11.662 1.00 0.00 C ATOM 1606 CE2 PHE A 101 0.988 6.629 -9.679 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.859 6.613 -11.072 1.00 0.00 C ATOM 0 H PHE A 101 -3.153 9.535 -9.322 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.918 6.821 -10.245 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.422 8.183 -7.944 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.734 6.460 -7.906 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.480 7.219 -11.315 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.032 6.871 -7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.489 6.816 -12.737 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.954 6.464 -9.225 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.725 6.435 -11.692 1.00 0.00 H new ATOM 1617 N GLU A 102 -5.625 8.359 -7.980 1.00 0.00 N ATOM 1618 CA GLU A 102 -6.837 8.218 -7.122 1.00 0.00 C ATOM 1619 C GLU A 102 -8.096 8.579 -7.917 1.00 0.00 C ATOM 1620 O GLU A 102 -8.155 9.598 -8.577 1.00 0.00 O ATOM 1621 CB GLU A 102 -6.614 9.203 -5.972 1.00 0.00 C ATOM 1622 CG GLU A 102 -7.944 9.505 -5.280 1.00 0.00 C ATOM 1623 CD GLU A 102 -7.759 9.427 -3.763 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -7.175 8.459 -3.306 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -8.205 10.337 -3.085 1.00 0.00 O ATOM 0 H GLU A 102 -5.265 9.309 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.980 7.199 -6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.908 8.784 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.174 10.125 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.297 10.497 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.704 8.792 -5.602 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.105 7.751 -7.860 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.359 8.047 -8.614 1.00 0.00 C ATOM 1634 C GLU A 103 -11.519 8.279 -7.640 1.00 0.00 C ATOM 1635 O GLU A 103 -11.460 7.897 -6.489 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.612 6.803 -9.468 1.00 0.00 C ATOM 1637 CG GLU A 103 -9.791 6.895 -10.757 1.00 0.00 C ATOM 1638 CD GLU A 103 -10.133 8.195 -11.486 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -11.215 8.272 -12.044 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -9.306 9.093 -11.473 1.00 0.00 O ATOM 0 H GLU A 103 -9.116 6.883 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.273 8.947 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.338 5.906 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.673 6.720 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.726 6.864 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.003 6.039 -11.398 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.571 8.906 -8.089 1.00 0.00 N ATOM 1648 CA VAL A 104 -13.726 9.165 -7.180 1.00 0.00 C ATOM 1649 C VAL A 104 -14.555 7.893 -6.983 1.00 0.00 C ATOM 1650 O VAL A 104 -14.691 7.081 -7.877 1.00 0.00 O ATOM 1651 CB VAL A 104 -14.554 10.241 -7.886 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -15.035 9.712 -9.239 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.765 10.598 -7.022 1.00 0.00 C ATOM 0 H VAL A 104 -12.682 9.250 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.401 9.482 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.940 11.128 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.625 10.479 -9.741 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.174 9.455 -9.856 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.649 8.825 -9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.356 11.364 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.377 9.709 -6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.425 10.975 -6.057 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.113 7.719 -5.814 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.940 6.508 -5.548 1.00 0.00 C ATOM 1665 C LEU A 105 -17.423 6.886 -5.546 1.00 0.00 C ATOM 1666 O LEU A 105 -18.286 6.069 -5.799 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.507 6.022 -4.163 1.00 0.00 C ATOM 1668 CG LEU A 105 -13.982 6.088 -4.045 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.578 7.428 -3.429 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.489 4.948 -3.150 1.00 0.00 C ATOM 0 H LEU A 105 -15.031 8.366 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.804 5.736 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.968 6.638 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.850 5.000 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.536 5.992 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.492 7.477 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.929 8.241 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.024 7.522 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.403 4.995 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.934 5.044 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.778 3.992 -3.586 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.724 8.126 -5.269 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.149 8.568 -5.254 1.00 0.00 C ATOM 1684 C ASP A 106 -19.224 10.099 -5.251 1.00 0.00 C ATOM 1685 O ASP A 106 -18.220 10.777 -5.159 1.00 0.00 O ATOM 1686 CB ASP A 106 -19.734 7.993 -3.963 1.00 0.00 C ATOM 1687 CG ASP A 106 -21.257 7.921 -4.078 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -21.734 7.154 -4.900 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -21.923 8.634 -3.346 1.00 0.00 O ATOM 0 H ASP A 106 -17.043 8.854 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.698 8.225 -6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -19.326 6.999 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -19.452 8.617 -3.115 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.403 10.647 -5.352 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.538 12.133 -5.357 1.00 0.00 C ATOM 1696 C LEU A 107 -21.448 12.582 -4.209 1.00 0.00 C ATOM 1697 O LEU A 107 -22.526 12.053 -4.018 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.175 12.469 -6.708 1.00 0.00 C ATOM 1699 CG LEU A 107 -20.191 13.286 -7.550 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -19.549 12.386 -8.607 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -20.940 14.427 -8.243 1.00 0.00 C ATOM 0 H LEU A 107 -21.279 10.131 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.581 12.636 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -21.444 11.552 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -22.096 13.033 -6.557 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.415 13.696 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.849 12.969 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.016 11.572 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -20.324 11.975 -9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -20.241 15.010 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.715 14.014 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -21.398 15.071 -7.492 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.025 13.550 -3.442 1.00 0.00 N ATOM 1714 CA VAL A 108 -21.872 14.022 -2.307 1.00 0.00 C ATOM 1715 C VAL A 108 -22.109 15.533 -2.409 1.00 0.00 C ATOM 1716 O VAL A 108 -21.349 16.249 -3.025 1.00 0.00 O ATOM 1717 CB VAL A 108 -21.066 13.695 -1.049 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -19.770 14.510 -1.045 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -21.893 14.048 0.190 1.00 0.00 C ATOM 0 H VAL A 108 -20.133 14.033 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.853 13.546 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.826 12.632 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.196 14.276 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.181 14.261 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.009 15.573 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -21.320 13.816 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.132 15.111 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.816 13.469 0.188 1.00 0.00 H new ATOM 1729 N ASP A 109 -23.157 16.023 -1.802 1.00 0.00 N ATOM 1730 CA ASP A 109 -23.436 17.489 -1.852 1.00 0.00 C ATOM 1731 C ASP A 109 -23.229 18.103 -0.463 1.00 0.00 C ATOM 1732 O ASP A 109 -23.930 17.783 0.476 1.00 0.00 O ATOM 1733 CB ASP A 109 -24.899 17.606 -2.283 1.00 0.00 C ATOM 1734 CG ASP A 109 -25.039 18.728 -3.315 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -25.054 19.879 -2.912 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -25.126 18.417 -4.492 1.00 0.00 O ATOM 0 H ASP A 109 -23.833 15.471 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 109 -22.774 18.016 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -25.241 16.662 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -25.529 17.813 -1.418 1.00 0.00 H new ATOM 1741 N ALA A 110 -22.269 18.978 -0.320 1.00 0.00 N ATOM 1742 CA ALA A 110 -22.025 19.600 1.016 1.00 0.00 C ATOM 1743 C ALA A 110 -23.317 20.208 1.567 1.00 0.00 C ATOM 1744 O ALA A 110 -24.367 20.110 0.964 1.00 0.00 O ATOM 1745 CB ALA A 110 -20.985 20.693 0.768 1.00 0.00 C ATOM 0 H ALA A 110 -21.646 19.288 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 110 -21.681 18.869 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -20.755 21.196 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -20.077 20.246 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -21.381 21.417 0.056 1.00 0.00 H new ATOM 1751 N VAL A 111 -23.246 20.838 2.708 1.00 0.00 N ATOM 1752 CA VAL A 111 -24.469 21.454 3.297 1.00 0.00 C ATOM 1753 C VAL A 111 -24.972 22.591 2.404 1.00 0.00 C ATOM 1754 O VAL A 111 -24.899 22.520 1.192 1.00 0.00 O ATOM 1755 CB VAL A 111 -24.025 21.998 4.654 1.00 0.00 C ATOM 1756 CG1 VAL A 111 -23.270 20.909 5.420 1.00 0.00 C ATOM 1757 CG2 VAL A 111 -23.104 23.203 4.444 1.00 0.00 C ATOM 0 H VAL A 111 -22.394 20.953 3.258 1.00 0.00 H new ATOM 0 HA VAL A 111 -25.286 20.738 3.391 1.00 0.00 H new ATOM 0 HB VAL A 111 -24.901 22.304 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -22.954 21.298 6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -23.924 20.050 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -22.394 20.603 4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -22.787 23.592 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -22.229 22.896 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -23.640 23.980 3.899 1.00 0.00 H new ATOM 1767 N ILE A 112 -25.485 23.637 2.991 1.00 0.00 N ATOM 1768 CA ILE A 112 -25.996 24.775 2.174 1.00 0.00 C ATOM 1769 C ILE A 112 -25.381 26.094 2.649 1.00 0.00 C ATOM 1770 O ILE A 112 -25.508 26.471 3.797 1.00 0.00 O ATOM 1771 CB ILE A 112 -27.506 24.775 2.406 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -28.075 23.397 2.060 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -28.160 25.835 1.518 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -29.580 23.381 2.336 1.00 0.00 C ATOM 0 H ILE A 112 -25.573 23.753 4.001 1.00 0.00 H new ATOM 0 HA ILE A 112 -25.741 24.672 1.119 1.00 0.00 H new ATOM 0 HB ILE A 112 -27.712 25.001 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -27.884 23.166 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -27.578 22.628 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -29.237 25.834 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -27.755 26.817 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -27.954 25.610 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -29.985 22.399 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -29.759 23.593 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -30.070 24.139 1.725 1.00 0.00 H new ATOM 1786 N LEU A 113 -24.723 26.801 1.773 1.00 0.00 N ATOM 1787 CA LEU A 113 -24.106 28.100 2.173 1.00 0.00 C ATOM 1788 C LEU A 113 -23.419 27.961 3.534 1.00 0.00 C ATOM 1789 O LEU A 113 -22.313 27.448 3.569 1.00 0.00 O ATOM 1790 CB LEU A 113 -25.278 29.080 2.260 1.00 0.00 C ATOM 1791 CG LEU A 113 -25.017 30.278 1.345 1.00 0.00 C ATOM 1792 CD1 LEU A 113 -25.948 30.208 0.133 1.00 0.00 C ATOM 1793 CD2 LEU A 113 -25.281 31.574 2.116 1.00 0.00 C ATOM 1794 OXT LEU A 113 -24.014 28.369 4.518 1.00 0.00 O ATOM 0 H LEU A 113 -24.585 26.537 0.797 1.00 0.00 H new ATOM 0 HA LEU A 113 -23.345 28.434 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -26.203 28.582 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -25.407 29.417 3.289 1.00 0.00 H new ATOM 0 HG LEU A 113 -23.981 30.259 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -25.762 31.062 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -25.762 29.285 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -26.985 30.227 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -25.095 32.429 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -26.318 31.592 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -24.618 31.625 2.980 1.00 0.00 H new TER 1806 LEU A 113