USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 74 ASN : amide:sc= -1.41 K(o=-1,f=-7.3!) USER MOD Set 2.2: A 75 SER OG : rot 35:sc= 0.406 USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= -0.294 USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 28 THR OG1 : rot -26:sc= -1.41! USER MOD Set 4.2: A 31 SER OG : rot 106:sc= 1.01 USER MOD Set 5.1: A 3 GLN :FLIP amide:sc= -0.632 F(o=-2.4!,f=-0.51) USER MOD Set 5.2: A 25 SER OG : rot -132:sc= 0.126 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.99! C(o=-2!,f=-2.4!) USER MOD Single : A 17 SER OG : rot 180:sc= -2.25! USER MOD Single : A 21 SER OG : rot 180:sc= -0.665 USER MOD Single : A 30 SER OG : rot -150:sc= 0.132 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 153:sc= -20.8! (180deg=-23!) USER MOD Single : A 35 SER OG : rot -160:sc= -4.1! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 49:sc= -0.903! USER MOD Single : A 52 SER OG : rot -170:sc= -0.45 USER MOD Single : A 54 SER OG : rot -84:sc= 0.115 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0968 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -2.34! C(o=-3.2!,f=-2.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.621 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0203 USER MOD Single : A 82 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.54) USER MOD Single : A 83 MET CE :methyl 133:sc= -23.3! (180deg=-25.9!) USER MOD Single : A 84 ASN : amide:sc= -1.39! C(o=-1.4!,f=-8!) USER MOD Single : A 85 SER OG : rot -65:sc= -1.38! USER MOD Single : A 91 THR OG1 : rot 51:sc= -0.416! USER MOD Single : A 94 TYR OH : rot 127:sc= -0.755 USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0.591 (180deg=0.327) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 118:sc= 0.762 USER MOD Single : A 109 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.025) USER MOD Single : A 111 THR OG1 : rot -160:sc= 0.168 USER MOD Single : A 114 THR OG1 : rot 180:sc= -2.52! USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.900 10.584 -12.380 1.00 0.00 N ATOM 11 CA VAL A 2 -11.721 9.674 -12.369 1.00 0.00 C ATOM 12 C VAL A 2 -12.204 8.227 -12.573 1.00 0.00 C ATOM 13 O VAL A 2 -13.261 7.846 -12.109 1.00 0.00 O ATOM 14 CB VAL A 2 -10.978 9.831 -11.022 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.453 8.782 -10.011 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.467 9.674 -11.242 1.00 0.00 C ATOM 0 HA VAL A 2 -11.032 9.925 -13.175 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.195 10.823 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.916 8.913 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.522 8.902 -9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.259 7.784 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.947 9.785 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.260 8.687 -11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.119 10.438 -11.937 1.00 0.00 H new ATOM 17 N GLN A 3 -11.434 7.421 -13.250 1.00 0.00 N ATOM 18 CA GLN A 3 -11.835 6.000 -13.473 1.00 0.00 C ATOM 19 C GLN A 3 -10.655 5.133 -13.060 1.00 0.00 C ATOM 20 O GLN A 3 -9.529 5.576 -13.117 1.00 0.00 O ATOM 21 CB GLN A 3 -12.163 5.778 -14.953 1.00 0.00 C ATOM 22 CG GLN A 3 -13.656 5.466 -15.101 1.00 0.00 C ATOM 23 CD GLN A 3 -13.963 5.083 -16.549 1.00 0.00 C ATOM 24 OE1 GLN A 3 -13.321 5.675 -17.519 1.00 0.00 O flip ATOM 25 NE2 GLN A 3 -14.797 4.236 -16.802 1.00 0.00 N flip ATOM 0 H GLN A 3 -10.539 7.685 -13.661 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.721 5.747 -12.891 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.906 6.666 -15.531 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.567 4.956 -15.350 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.935 4.651 -14.433 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.249 6.333 -14.811 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.299 3.773 -16.045 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.995 3.988 -17.772 1.00 0.00 H new ATOM 26 N LEU A 4 -10.872 3.928 -12.601 1.00 0.00 N ATOM 27 CA LEU A 4 -9.690 3.133 -12.156 1.00 0.00 C ATOM 28 C LEU A 4 -10.078 1.768 -11.595 1.00 0.00 C ATOM 29 O LEU A 4 -11.238 1.447 -11.454 1.00 0.00 O ATOM 30 CB LEU A 4 -8.957 3.904 -11.059 1.00 0.00 C ATOM 31 CG LEU A 4 -9.881 4.938 -10.391 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.911 4.705 -8.882 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.365 6.349 -10.698 1.00 0.00 C ATOM 0 H LEU A 4 -11.781 3.473 -12.516 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.060 2.974 -13.031 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.584 3.207 -10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.089 4.409 -11.484 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.893 4.832 -10.782 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.566 5.439 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.284 3.702 -8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.904 4.807 -8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.016 7.085 -10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.353 6.459 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.359 6.507 -11.776 1.00 0.00 H new ATOM 34 N VAL A 5 -9.076 0.975 -11.271 1.00 0.00 N ATOM 35 CA VAL A 5 -9.308 -0.397 -10.706 1.00 0.00 C ATOM 36 C VAL A 5 -7.949 -1.116 -10.511 1.00 0.00 C ATOM 37 O VAL A 5 -7.377 -1.628 -11.451 1.00 0.00 O ATOM 38 CB VAL A 5 -10.186 -1.208 -11.683 1.00 0.00 C ATOM 39 CG1 VAL A 5 -9.864 -2.704 -11.588 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.661 -1.001 -11.338 1.00 0.00 C ATOM 0 H VAL A 5 -8.093 1.227 -11.377 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.812 -0.314 -9.743 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.981 -0.861 -12.696 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.494 -3.257 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.816 -2.867 -11.839 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.053 -3.053 -10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.280 -1.574 -12.028 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.847 -1.338 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.909 0.057 -11.421 1.00 0.00 H new ATOM 41 N GLU A 6 -7.443 -1.179 -9.300 1.00 0.00 N ATOM 42 CA GLU A 6 -6.137 -1.888 -9.060 1.00 0.00 C ATOM 43 C GLU A 6 -6.124 -3.206 -9.851 1.00 0.00 C ATOM 44 O GLU A 6 -7.130 -3.621 -10.389 1.00 0.00 O ATOM 45 CB GLU A 6 -5.992 -2.200 -7.567 1.00 0.00 C ATOM 46 CG GLU A 6 -7.346 -2.615 -6.984 1.00 0.00 C ATOM 47 CD GLU A 6 -7.945 -3.748 -7.819 1.00 0.00 C ATOM 48 OE1 GLU A 6 -7.613 -4.890 -7.555 1.00 0.00 O ATOM 49 OE2 GLU A 6 -8.721 -3.453 -8.712 1.00 0.00 O ATOM 0 H GLU A 6 -7.874 -0.773 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.313 -1.252 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.265 -2.999 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.613 -1.325 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.223 -2.939 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.024 -1.762 -6.973 1.00 0.00 H new ATOM 50 N SER A 7 -5.007 -3.886 -9.921 1.00 0.00 N ATOM 51 CA SER A 7 -4.999 -5.173 -10.681 1.00 0.00 C ATOM 52 C SER A 7 -3.595 -5.778 -10.687 1.00 0.00 C ATOM 53 O SER A 7 -2.612 -5.086 -10.824 1.00 0.00 O ATOM 54 CB SER A 7 -5.444 -4.916 -12.123 1.00 0.00 C ATOM 55 OG SER A 7 -5.338 -6.121 -12.869 1.00 0.00 O ATOM 0 H SER A 7 -4.120 -3.615 -9.496 1.00 0.00 H new ATOM 0 HA SER A 7 -5.684 -5.870 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.472 -4.554 -12.139 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.825 -4.140 -12.574 1.00 0.00 H new ATOM 0 HG SER A 7 -5.624 -5.960 -13.792 1.00 0.00 H new ATOM 56 N GLY A 8 -3.497 -7.071 -10.548 1.00 0.00 N ATOM 57 CA GLY A 8 -2.156 -7.720 -10.552 1.00 0.00 C ATOM 58 C GLY A 8 -2.285 -9.161 -10.057 1.00 0.00 C ATOM 59 O GLY A 8 -2.695 -10.045 -10.784 1.00 0.00 O ATOM 0 H GLY A 8 -4.287 -7.706 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.737 -7.706 -11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.470 -7.165 -9.913 1.00 0.00 H new ATOM 60 N GLY A 9 -1.937 -9.406 -8.824 1.00 0.00 N ATOM 61 CA GLY A 9 -2.038 -10.789 -8.280 1.00 0.00 C ATOM 62 C GLY A 9 -0.801 -11.591 -8.688 1.00 0.00 C ATOM 63 O GLY A 9 -0.781 -12.804 -8.612 1.00 0.00 O ATOM 0 H GLY A 9 -1.587 -8.707 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.122 -10.758 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.939 -11.274 -8.656 1.00 0.00 H new ATOM 64 N GLY A 10 0.232 -10.923 -9.123 1.00 0.00 N ATOM 65 CA GLY A 10 1.469 -11.644 -9.536 1.00 0.00 C ATOM 66 C GLY A 10 1.960 -12.524 -8.378 1.00 0.00 C ATOM 67 O GLY A 10 1.476 -12.425 -7.264 1.00 0.00 O ATOM 0 H GLY A 10 0.273 -9.908 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.269 -12.258 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.243 -10.929 -9.817 1.00 0.00 H new ATOM 68 N LEU A 11 2.925 -13.375 -8.627 1.00 0.00 N ATOM 69 CA LEU A 11 3.456 -14.241 -7.532 1.00 0.00 C ATOM 70 C LEU A 11 4.643 -13.524 -6.889 1.00 0.00 C ATOM 71 O LEU A 11 5.383 -12.821 -7.548 1.00 0.00 O ATOM 72 CB LEU A 11 3.895 -15.594 -8.093 1.00 0.00 C ATOM 73 CG LEU A 11 2.660 -16.464 -8.333 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.017 -17.624 -9.264 1.00 0.00 C ATOM 75 CD2 LEU A 11 2.161 -17.018 -6.995 1.00 0.00 C ATOM 0 H LEU A 11 3.366 -13.506 -9.538 1.00 0.00 H new ATOM 0 HA LEU A 11 2.680 -14.421 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.443 -15.454 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.572 -16.088 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 11 1.878 -15.861 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.134 -18.241 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.371 -17.230 -10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.801 -18.229 -8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.281 -17.638 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.945 -17.619 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.901 -16.192 -6.333 1.00 0.00 H new ATOM 76 N VAL A 12 4.817 -13.664 -5.606 1.00 0.00 N ATOM 77 CA VAL A 12 5.933 -12.942 -4.929 1.00 0.00 C ATOM 78 C VAL A 12 6.743 -13.877 -4.037 1.00 0.00 C ATOM 79 O VAL A 12 6.883 -13.637 -2.855 1.00 0.00 O ATOM 80 CB VAL A 12 5.371 -11.815 -4.049 1.00 0.00 C ATOM 81 CG1 VAL A 12 5.753 -10.461 -4.647 1.00 0.00 C ATOM 82 CG2 VAL A 12 3.847 -11.916 -3.955 1.00 0.00 C ATOM 0 H VAL A 12 4.239 -14.244 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 12 6.579 -12.539 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 12 5.793 -11.911 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.354 -9.662 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.839 -10.377 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.339 -10.377 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.467 -11.110 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.415 -11.834 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.572 -12.876 -3.518 1.00 0.00 H new ATOM 83 N GLN A 13 7.292 -14.925 -4.573 1.00 0.00 N ATOM 84 CA GLN A 13 8.111 -15.827 -3.715 1.00 0.00 C ATOM 85 C GLN A 13 9.066 -14.947 -2.900 1.00 0.00 C ATOM 86 O GLN A 13 9.155 -13.758 -3.139 1.00 0.00 O ATOM 87 CB GLN A 13 8.920 -16.785 -4.595 1.00 0.00 C ATOM 88 CG GLN A 13 8.488 -18.226 -4.315 1.00 0.00 C ATOM 89 CD GLN A 13 9.718 -19.137 -4.307 1.00 0.00 C ATOM 90 OE1 GLN A 13 10.034 -19.741 -3.302 1.00 0.00 O ATOM 91 NE2 GLN A 13 10.430 -19.263 -5.395 1.00 0.00 N ATOM 0 H GLN A 13 7.214 -15.197 -5.553 1.00 0.00 H new ATOM 0 HA GLN A 13 7.472 -16.416 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.766 -16.546 -5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.985 -16.668 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.974 -18.283 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.781 -18.559 -5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.165 -18.756 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.251 -19.868 -5.400 1.00 0.00 H new ATOM 92 N PRO A 14 9.763 -15.537 -1.973 1.00 0.00 N ATOM 93 CA PRO A 14 10.712 -14.792 -1.135 1.00 0.00 C ATOM 94 C PRO A 14 11.891 -14.329 -1.988 1.00 0.00 C ATOM 95 O PRO A 14 12.686 -15.119 -2.455 1.00 0.00 O ATOM 96 CB PRO A 14 11.113 -15.799 -0.051 1.00 0.00 C ATOM 97 CG PRO A 14 10.789 -17.198 -0.625 1.00 0.00 C ATOM 98 CD PRO A 14 9.694 -16.983 -1.687 1.00 0.00 C ATOM 0 HA PRO A 14 10.303 -13.885 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.173 -15.712 0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.561 -15.619 0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.676 -17.653 -1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.443 -17.871 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.881 -17.577 -2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.711 -17.271 -1.313 1.00 0.00 H new ATOM 99 N GLY A 15 11.972 -13.048 -2.230 1.00 0.00 N ATOM 100 CA GLY A 15 13.057 -12.519 -3.097 1.00 0.00 C ATOM 101 C GLY A 15 12.585 -12.661 -4.541 1.00 0.00 C ATOM 102 O GLY A 15 13.363 -12.857 -5.453 1.00 0.00 O ATOM 0 H GLY A 15 11.330 -12.346 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.265 -11.476 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.982 -13.073 -2.938 1.00 0.00 H new ATOM 103 N GLY A 16 11.294 -12.592 -4.739 1.00 0.00 N ATOM 104 CA GLY A 16 10.730 -12.753 -6.105 1.00 0.00 C ATOM 105 C GLY A 16 10.414 -11.390 -6.730 1.00 0.00 C ATOM 106 O GLY A 16 11.303 -10.633 -7.071 1.00 0.00 O ATOM 0 H GLY A 16 10.604 -12.430 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.439 -13.291 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.823 -13.356 -6.060 1.00 0.00 H new ATOM 107 N SER A 17 9.152 -11.083 -6.896 1.00 0.00 N ATOM 108 CA SER A 17 8.764 -9.785 -7.518 1.00 0.00 C ATOM 109 C SER A 17 7.293 -9.864 -7.924 1.00 0.00 C ATOM 110 O SER A 17 6.756 -10.938 -8.113 1.00 0.00 O ATOM 111 CB SER A 17 9.611 -9.541 -8.771 1.00 0.00 C ATOM 112 OG SER A 17 10.272 -8.288 -8.663 1.00 0.00 O ATOM 0 H SER A 17 8.371 -11.681 -6.625 1.00 0.00 H new ATOM 0 HA SER A 17 8.923 -8.973 -6.809 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.342 -10.340 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.978 -9.554 -9.658 1.00 0.00 H new ATOM 0 HG SER A 17 10.815 -8.134 -9.464 1.00 0.00 H new ATOM 113 N LEU A 18 6.628 -8.750 -8.061 1.00 0.00 N ATOM 114 CA LEU A 18 5.196 -8.803 -8.458 1.00 0.00 C ATOM 115 C LEU A 18 4.944 -7.853 -9.615 1.00 0.00 C ATOM 116 O LEU A 18 5.675 -6.910 -9.838 1.00 0.00 O ATOM 117 CB LEU A 18 4.319 -8.372 -7.282 1.00 0.00 C ATOM 118 CG LEU A 18 3.297 -9.457 -6.895 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.009 -9.271 -7.697 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.851 -10.858 -7.153 1.00 0.00 C ATOM 0 H LEU A 18 7.010 -7.815 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 18 4.954 -9.824 -8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.951 -8.146 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.792 -7.454 -7.541 1.00 0.00 H new ATOM 0 HG LEU A 18 3.090 -9.355 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.292 -10.042 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.587 -8.289 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.229 -9.349 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.106 -11.602 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.088 -10.966 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.755 -11.006 -6.562 1.00 0.00 H new ATOM 121 N ARG A 19 3.896 -8.094 -10.344 1.00 0.00 N ATOM 122 CA ARG A 19 3.564 -7.213 -11.481 1.00 0.00 C ATOM 123 C ARG A 19 2.070 -6.894 -11.437 1.00 0.00 C ATOM 124 O ARG A 19 1.256 -7.607 -11.988 1.00 0.00 O ATOM 125 CB ARG A 19 3.910 -7.931 -12.781 1.00 0.00 C ATOM 126 CG ARG A 19 3.493 -7.069 -13.975 1.00 0.00 C ATOM 127 CD ARG A 19 4.226 -7.548 -15.231 1.00 0.00 C ATOM 128 NE ARG A 19 3.667 -6.858 -16.429 1.00 0.00 N ATOM 129 CZ ARG A 19 3.716 -5.556 -16.517 1.00 0.00 C ATOM 130 NH1 ARG A 19 4.760 -4.909 -16.075 1.00 0.00 N ATOM 131 NH2 ARG A 19 2.722 -4.901 -17.049 1.00 0.00 N ATOM 0 H ARG A 19 3.252 -8.871 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 19 4.132 -6.285 -11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.980 -8.133 -12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.402 -8.895 -12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.415 -7.132 -14.124 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.727 -6.022 -13.781 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.292 -7.340 -15.144 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.119 -8.628 -15.337 1.00 0.00 H new ATOM 0 HE ARG A 19 3.246 -7.404 -17.181 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.539 -5.420 -15.660 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.797 -3.892 -16.144 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.906 -5.406 -17.396 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.760 -3.884 -17.118 1.00 0.00 H new ATOM 132 N LEU A 20 1.700 -5.833 -10.773 1.00 0.00 N ATOM 133 CA LEU A 20 0.250 -5.486 -10.684 1.00 0.00 C ATOM 134 C LEU A 20 -0.006 -4.169 -11.408 1.00 0.00 C ATOM 135 O LEU A 20 0.593 -3.891 -12.428 1.00 0.00 O ATOM 136 CB LEU A 20 -0.167 -5.368 -9.220 1.00 0.00 C ATOM 137 CG LEU A 20 0.506 -6.472 -8.412 1.00 0.00 C ATOM 138 CD1 LEU A 20 1.963 -6.097 -8.141 1.00 0.00 C ATOM 139 CD2 LEU A 20 -0.234 -6.643 -7.086 1.00 0.00 C ATOM 0 H LEU A 20 2.333 -5.194 -10.291 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.338 -6.273 -11.155 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.115 -4.391 -8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.251 -5.446 -9.131 1.00 0.00 H new ATOM 0 HG LEU A 20 0.476 -7.406 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.441 -6.888 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.488 -5.971 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.000 -5.164 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.242 -7.431 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.201 -5.708 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.272 -6.912 -7.281 1.00 0.00 H new ATOM 140 N SER A 21 -0.899 -3.352 -10.911 1.00 0.00 N ATOM 141 CA SER A 21 -1.169 -2.083 -11.628 1.00 0.00 C ATOM 142 C SER A 21 -2.408 -1.361 -11.087 1.00 0.00 C ATOM 143 O SER A 21 -3.304 -1.951 -10.518 1.00 0.00 O ATOM 144 CB SER A 21 -1.416 -2.417 -13.091 1.00 0.00 C ATOM 145 OG SER A 21 -2.017 -3.702 -13.184 1.00 0.00 O ATOM 0 H SER A 21 -1.439 -3.508 -10.060 1.00 0.00 H new ATOM 0 HA SER A 21 -0.311 -1.425 -11.492 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.064 -1.666 -13.543 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.476 -2.401 -13.643 1.00 0.00 H new ATOM 0 HG SER A 21 -2.179 -3.920 -14.126 1.00 0.00 H new ATOM 146 N CYS A 22 -2.455 -0.076 -11.313 1.00 0.00 N ATOM 147 CA CYS A 22 -3.618 0.752 -10.884 1.00 0.00 C ATOM 148 C CYS A 22 -4.430 1.093 -12.137 1.00 0.00 C ATOM 149 O CYS A 22 -4.050 1.956 -12.906 1.00 0.00 O ATOM 150 CB CYS A 22 -3.102 2.059 -10.257 1.00 0.00 C ATOM 151 SG CYS A 22 -4.051 2.538 -8.787 1.00 0.00 S ATOM 0 H CYS A 22 -1.719 0.446 -11.788 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.227 0.214 -10.157 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.053 1.940 -9.987 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.152 2.859 -10.996 1.00 0.00 H new ATOM 152 N ALA A 23 -5.530 0.425 -12.370 1.00 0.00 N ATOM 153 CA ALA A 23 -6.317 0.744 -13.595 1.00 0.00 C ATOM 154 C ALA A 23 -6.688 2.223 -13.560 1.00 0.00 C ATOM 155 O ALA A 23 -6.681 2.844 -12.521 1.00 0.00 O ATOM 156 CB ALA A 23 -7.586 -0.107 -13.669 1.00 0.00 C ATOM 0 H ALA A 23 -5.911 -0.313 -11.778 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.714 0.523 -14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.141 0.146 -14.572 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.315 -1.163 -13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.207 0.089 -12.795 1.00 0.00 H new ATOM 157 N ALA A 24 -7.007 2.793 -14.681 1.00 0.00 N ATOM 158 CA ALA A 24 -7.358 4.237 -14.697 1.00 0.00 C ATOM 159 C ALA A 24 -7.669 4.685 -16.128 1.00 0.00 C ATOM 160 O ALA A 24 -7.012 4.290 -17.088 1.00 0.00 O ATOM 161 CB ALA A 24 -6.185 5.043 -14.139 1.00 0.00 C ATOM 0 H ALA A 24 -7.041 2.325 -15.587 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.241 4.405 -14.081 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.436 6.104 -14.148 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.980 4.727 -13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.302 4.874 -14.755 1.00 0.00 H new ATOM 162 N SER A 25 -8.680 5.501 -16.271 1.00 0.00 N ATOM 163 CA SER A 25 -9.082 5.979 -17.619 1.00 0.00 C ATOM 164 C SER A 25 -9.374 7.483 -17.577 1.00 0.00 C ATOM 165 O SER A 25 -9.796 8.014 -16.568 1.00 0.00 O ATOM 166 CB SER A 25 -10.350 5.234 -18.026 1.00 0.00 C ATOM 167 OG SER A 25 -10.869 5.796 -19.223 1.00 0.00 O ATOM 0 H SER A 25 -9.247 5.858 -15.502 1.00 0.00 H new ATOM 0 HA SER A 25 -8.279 5.796 -18.333 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.131 4.177 -18.174 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.093 5.298 -17.231 1.00 0.00 H new ATOM 0 HG SER A 25 -11.830 5.959 -19.118 1.00 0.00 H new ATOM 168 N GLY A 26 -9.167 8.170 -18.669 1.00 0.00 N ATOM 169 CA GLY A 26 -9.446 9.636 -18.694 1.00 0.00 C ATOM 170 C GLY A 26 -8.435 10.378 -17.819 1.00 0.00 C ATOM 171 O GLY A 26 -7.429 10.869 -18.292 1.00 0.00 O ATOM 0 H GLY A 26 -8.817 7.780 -19.544 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.394 10.007 -19.718 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.458 9.828 -18.337 1.00 0.00 H new ATOM 172 N PHE A 27 -8.704 10.468 -16.547 1.00 0.00 N ATOM 173 CA PHE A 27 -7.771 11.182 -15.630 1.00 0.00 C ATOM 174 C PHE A 27 -6.337 10.674 -15.844 1.00 0.00 C ATOM 175 O PHE A 27 -5.388 11.324 -15.470 1.00 0.00 O ATOM 176 CB PHE A 27 -8.226 10.945 -14.167 1.00 0.00 C ATOM 177 CG PHE A 27 -7.242 10.061 -13.420 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.970 10.550 -13.103 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.595 8.750 -13.066 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.053 9.742 -12.440 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.676 7.937 -12.392 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.405 8.429 -12.081 1.00 0.00 C ATOM 0 H PHE A 27 -9.533 10.076 -16.100 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.786 12.251 -15.840 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.321 11.902 -13.654 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.212 10.481 -14.161 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.699 11.560 -13.375 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.575 8.368 -13.313 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.071 10.123 -12.201 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.949 6.930 -12.112 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.694 7.801 -11.565 1.00 0.00 H new ATOM 183 N THR A 28 -6.191 9.501 -16.406 1.00 0.00 N ATOM 184 CA THR A 28 -4.835 8.907 -16.617 1.00 0.00 C ATOM 185 C THR A 28 -4.259 8.485 -15.258 1.00 0.00 C ATOM 186 O THR A 28 -4.903 7.773 -14.514 1.00 0.00 O ATOM 187 CB THR A 28 -3.895 9.885 -17.350 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.448 10.903 -16.469 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.637 10.521 -18.526 1.00 0.00 C ATOM 0 H THR A 28 -6.964 8.921 -16.732 1.00 0.00 H new ATOM 0 HA THR A 28 -4.926 8.029 -17.256 1.00 0.00 H new ATOM 0 HB THR A 28 -3.030 9.331 -17.713 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.108 11.031 -15.756 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.973 11.212 -19.044 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.960 9.742 -19.216 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.508 11.063 -18.157 1.00 0.00 H new ATOM 190 N PHE A 29 -3.052 8.864 -14.927 1.00 0.00 N ATOM 191 CA PHE A 29 -2.477 8.412 -13.621 1.00 0.00 C ATOM 192 C PHE A 29 -1.403 9.393 -13.166 1.00 0.00 C ATOM 193 O PHE A 29 -1.329 9.768 -12.013 1.00 0.00 O ATOM 194 CB PHE A 29 -1.845 7.034 -13.814 1.00 0.00 C ATOM 195 CG PHE A 29 -2.448 6.402 -15.038 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.049 6.826 -16.313 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.444 5.439 -14.901 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.648 6.275 -17.441 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.035 4.891 -16.031 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.638 5.311 -17.298 1.00 0.00 C ATOM 0 H PHE A 29 -2.446 9.458 -15.493 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.265 8.365 -12.869 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.765 7.125 -13.927 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.022 6.410 -12.938 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.280 7.577 -16.419 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.756 5.119 -13.918 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.344 6.596 -18.426 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.803 4.139 -15.928 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.103 4.885 -18.175 1.00 0.00 H new ATOM 201 N SER A 30 -0.574 9.815 -14.076 1.00 0.00 N ATOM 202 CA SER A 30 0.500 10.781 -13.726 1.00 0.00 C ATOM 203 C SER A 30 -0.021 12.185 -13.997 1.00 0.00 C ATOM 204 O SER A 30 0.322 13.131 -13.315 1.00 0.00 O ATOM 205 CB SER A 30 1.734 10.516 -14.589 1.00 0.00 C ATOM 206 OG SER A 30 2.016 9.123 -14.593 1.00 0.00 O ATOM 0 H SER A 30 -0.595 9.530 -15.055 1.00 0.00 H new ATOM 0 HA SER A 30 0.777 10.674 -12.677 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.562 10.866 -15.607 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.589 11.070 -14.201 1.00 0.00 H new ATOM 0 HG SER A 30 2.980 8.985 -14.703 1.00 0.00 H new ATOM 207 N SER A 31 -0.866 12.324 -14.982 1.00 0.00 N ATOM 208 CA SER A 31 -1.428 13.667 -15.284 1.00 0.00 C ATOM 209 C SER A 31 -1.868 14.306 -13.971 1.00 0.00 C ATOM 210 O SER A 31 -1.608 15.464 -13.712 1.00 0.00 O ATOM 211 CB SER A 31 -2.632 13.528 -16.216 1.00 0.00 C ATOM 212 OG SER A 31 -2.204 12.985 -17.459 1.00 0.00 O ATOM 0 H SER A 31 -1.189 11.569 -15.587 1.00 0.00 H new ATOM 0 HA SER A 31 -0.676 14.286 -15.773 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.384 12.882 -15.763 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.100 14.500 -16.372 1.00 0.00 H new ATOM 0 HG SER A 31 -2.488 12.049 -17.522 1.00 0.00 H new ATOM 213 N TYR A 32 -2.529 13.553 -13.130 1.00 0.00 N ATOM 214 CA TYR A 32 -2.974 14.118 -11.828 1.00 0.00 C ATOM 215 C TYR A 32 -2.340 13.325 -10.688 1.00 0.00 C ATOM 216 O TYR A 32 -2.652 13.520 -9.532 1.00 0.00 O ATOM 217 CB TYR A 32 -4.495 14.043 -11.734 1.00 0.00 C ATOM 218 CG TYR A 32 -5.090 14.434 -13.064 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.960 13.578 -14.164 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.765 15.653 -13.198 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.505 13.943 -15.401 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.312 16.016 -14.433 1.00 0.00 C ATOM 223 CZ TYR A 32 -6.183 15.162 -15.535 1.00 0.00 C ATOM 224 OH TYR A 32 -6.721 15.523 -16.754 1.00 0.00 O ATOM 0 H TYR A 32 -2.777 12.577 -13.290 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.664 15.160 -11.754 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.806 13.034 -11.465 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.857 14.708 -10.950 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.440 12.637 -14.059 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.863 16.313 -12.348 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.403 13.285 -16.252 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.834 16.956 -14.537 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.158 16.397 -16.673 1.00 0.00 H new ATOM 225 N ALA A 33 -1.440 12.441 -11.007 1.00 0.00 N ATOM 226 CA ALA A 33 -0.767 11.646 -9.949 1.00 0.00 C ATOM 227 C ALA A 33 -1.787 10.788 -9.195 1.00 0.00 C ATOM 228 O ALA A 33 -2.983 10.976 -9.311 1.00 0.00 O ATOM 229 CB ALA A 33 -0.081 12.599 -8.971 1.00 0.00 C ATOM 0 H ALA A 33 -1.141 12.235 -11.960 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.030 10.988 -10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.416 12.023 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.656 13.199 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.825 13.255 -8.520 1.00 0.00 H new ATOM 230 N MET A 34 -1.315 9.848 -8.418 1.00 0.00 N ATOM 231 CA MET A 34 -2.231 8.968 -7.641 1.00 0.00 C ATOM 232 C MET A 34 -1.397 7.921 -6.891 1.00 0.00 C ATOM 233 O MET A 34 -0.265 7.658 -7.240 1.00 0.00 O ATOM 234 CB MET A 34 -3.209 8.267 -8.591 1.00 0.00 C ATOM 235 CG MET A 34 -2.496 7.138 -9.332 1.00 0.00 C ATOM 236 SD MET A 34 -2.919 5.559 -8.554 1.00 0.00 S ATOM 237 CE MET A 34 -1.793 4.530 -9.518 1.00 0.00 C ATOM 0 H MET A 34 -0.322 9.652 -8.289 1.00 0.00 H new ATOM 0 HA MET A 34 -2.799 9.567 -6.929 1.00 0.00 H new ATOM 0 HB2 MET A 34 -4.053 7.868 -8.028 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.613 8.984 -9.305 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.792 7.131 -10.381 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.417 7.293 -9.306 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.518 3.650 -8.937 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.284 4.218 -10.440 1.00 0.00 H new ATOM 0 HE3 MET A 34 -0.896 5.100 -9.760 1.00 0.00 H new ATOM 238 N SER A 35 -1.947 7.313 -5.876 1.00 0.00 N ATOM 239 CA SER A 35 -1.183 6.272 -5.118 1.00 0.00 C ATOM 240 C SER A 35 -1.914 4.966 -5.247 1.00 0.00 C ATOM 241 O SER A 35 -2.936 4.904 -5.897 1.00 0.00 O ATOM 242 CB SER A 35 -1.073 6.651 -3.648 1.00 0.00 C ATOM 243 OG SER A 35 -0.184 7.751 -3.509 1.00 0.00 O ATOM 0 H SER A 35 -2.892 7.490 -5.536 1.00 0.00 H new ATOM 0 HA SER A 35 -0.175 6.190 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.055 6.911 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.712 5.802 -3.068 1.00 0.00 H new ATOM 0 HG SER A 35 0.137 7.798 -2.584 1.00 0.00 H new ATOM 244 N TRP A 36 -1.426 3.895 -4.677 1.00 0.00 N ATOM 245 CA TRP A 36 -2.197 2.654 -4.891 1.00 0.00 C ATOM 246 C TRP A 36 -1.610 1.448 -4.158 1.00 0.00 C ATOM 247 O TRP A 36 -0.382 1.249 -4.172 1.00 0.00 O ATOM 248 CB TRP A 36 -2.243 2.429 -6.391 1.00 0.00 C ATOM 249 CG TRP A 36 -1.163 1.536 -6.861 1.00 0.00 C ATOM 250 CD1 TRP A 36 0.022 1.918 -7.396 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.189 0.097 -6.883 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.707 0.793 -7.768 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.003 -0.368 -7.477 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.137 -0.833 -6.449 1.00 0.00 C ATOM 255 CZ2 TRP A 36 0.222 -1.739 -7.649 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -1.918 -2.198 -6.610 1.00 0.00 C ATOM 257 CH2 TRP A 36 -0.746 -2.654 -7.216 1.00 0.00 C ATOM 0 H TRP A 36 -0.581 3.830 -4.109 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.198 2.765 -4.475 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.208 2.001 -6.662 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.165 3.389 -6.902 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.367 2.935 -7.509 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.628 0.804 -8.206 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.049 -0.489 -5.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.134 -2.088 -8.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.657 -2.906 -6.265 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.586 -3.713 -7.351 1.00 0.00 H new ATOM 258 N VAL A 37 -2.528 0.672 -3.505 1.00 0.00 N ATOM 259 CA VAL A 37 -2.182 -0.562 -2.677 1.00 0.00 C ATOM 260 C VAL A 37 -2.829 -0.392 -1.271 1.00 0.00 C ATOM 261 O VAL A 37 -3.716 0.409 -1.120 1.00 0.00 O ATOM 262 CB VAL A 37 -0.688 -0.569 -2.539 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.356 0.719 -1.827 1.00 0.00 C ATOM 264 CG2 VAL A 37 -0.149 -1.739 -1.733 1.00 0.00 C ATOM 0 H VAL A 37 -3.528 0.870 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.539 -1.485 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.232 -0.665 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.723 0.790 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.701 1.564 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.850 0.735 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.938 -1.673 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.565 -1.710 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.432 -2.674 -2.216 1.00 0.00 H new ATOM 265 N ARG A 38 -2.364 -1.099 -0.244 1.00 0.00 N ATOM 266 CA ARG A 38 -2.879 -0.920 1.150 1.00 0.00 C ATOM 267 C ARG A 38 -3.894 -1.981 1.611 1.00 0.00 C ATOM 268 O ARG A 38 -5.088 -1.759 1.607 1.00 0.00 O ATOM 269 CB ARG A 38 -3.452 0.495 1.354 1.00 0.00 C ATOM 270 CG ARG A 38 -2.455 1.565 0.888 1.00 0.00 C ATOM 271 CD ARG A 38 -1.051 1.206 1.353 1.00 0.00 C ATOM 272 NE ARG A 38 -0.971 1.331 2.835 1.00 0.00 N ATOM 273 CZ ARG A 38 -1.514 2.356 3.431 1.00 0.00 C ATOM 274 NH1 ARG A 38 -1.390 3.550 2.917 1.00 0.00 N ATOM 275 NH2 ARG A 38 -2.182 2.189 4.540 1.00 0.00 N ATOM 0 H ARG A 38 -1.633 -1.805 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.004 -1.060 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.385 0.597 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.688 0.647 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.477 1.646 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.741 2.538 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.805 0.188 1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.321 1.864 0.882 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.492 0.616 3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.869 3.680 2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.814 4.352 3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.280 1.256 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.606 2.991 5.005 1.00 0.00 H new ATOM 276 N GLN A 39 -3.405 -3.117 2.070 1.00 0.00 N ATOM 277 CA GLN A 39 -4.296 -4.183 2.609 1.00 0.00 C ATOM 278 C GLN A 39 -3.528 -5.504 2.588 1.00 0.00 C ATOM 279 O GLN A 39 -3.028 -5.899 1.571 1.00 0.00 O ATOM 280 CB GLN A 39 -5.542 -4.285 1.748 1.00 0.00 C ATOM 281 CG GLN A 39 -6.722 -3.624 2.465 1.00 0.00 C ATOM 282 CD GLN A 39 -7.324 -4.606 3.472 1.00 0.00 C ATOM 283 OE1 GLN A 39 -7.964 -5.567 3.094 1.00 0.00 O ATOM 284 NE2 GLN A 39 -7.146 -4.404 4.749 1.00 0.00 N ATOM 0 H GLN A 39 -2.411 -3.345 2.090 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.599 -3.949 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.371 -3.801 0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.769 -5.331 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.390 -2.720 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.478 -3.321 1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.609 -3.598 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.544 -5.053 5.428 1.00 0.00 H new ATOM 285 N ALA A 40 -3.398 -6.176 3.702 1.00 0.00 N ATOM 286 CA ALA A 40 -2.626 -7.454 3.705 1.00 0.00 C ATOM 287 C ALA A 40 -3.231 -8.428 4.729 1.00 0.00 C ATOM 288 O ALA A 40 -4.157 -8.082 5.434 1.00 0.00 O ATOM 289 CB ALA A 40 -1.174 -7.146 4.080 1.00 0.00 C ATOM 0 H ALA A 40 -3.789 -5.899 4.602 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.667 -7.914 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.596 -8.070 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.748 -6.457 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.143 -6.691 5.070 1.00 0.00 H new ATOM 290 N PRO A 41 -2.674 -9.615 4.789 1.00 0.00 N ATOM 291 CA PRO A 41 -3.127 -10.659 5.732 1.00 0.00 C ATOM 292 C PRO A 41 -2.715 -10.250 7.151 1.00 0.00 C ATOM 293 O PRO A 41 -2.707 -9.080 7.477 1.00 0.00 O ATOM 294 CB PRO A 41 -2.384 -11.921 5.243 1.00 0.00 C ATOM 295 CG PRO A 41 -1.169 -11.423 4.438 1.00 0.00 C ATOM 296 CD PRO A 41 -1.535 -10.022 3.935 1.00 0.00 C ATOM 0 HA PRO A 41 -4.205 -10.818 5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.067 -12.536 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.034 -12.539 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.275 -11.392 5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.953 -12.092 3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.697 -9.332 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.813 -10.037 2.881 1.00 0.00 H new ATOM 297 N GLY A 42 -2.339 -11.174 7.997 1.00 0.00 N ATOM 298 CA GLY A 42 -1.901 -10.776 9.365 1.00 0.00 C ATOM 299 C GLY A 42 -0.859 -9.661 9.233 1.00 0.00 C ATOM 300 O GLY A 42 -0.560 -8.956 10.178 1.00 0.00 O ATOM 0 H GLY A 42 -2.317 -12.175 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.753 -10.431 9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.477 -11.631 9.891 1.00 0.00 H new ATOM 301 N LYS A 43 -0.306 -9.497 8.056 1.00 0.00 N ATOM 302 CA LYS A 43 0.714 -8.439 7.818 1.00 0.00 C ATOM 303 C LYS A 43 0.082 -7.039 7.805 1.00 0.00 C ATOM 304 O LYS A 43 0.673 -6.105 7.303 1.00 0.00 O ATOM 305 CB LYS A 43 1.349 -8.689 6.450 1.00 0.00 C ATOM 306 CG LYS A 43 2.685 -7.949 6.360 1.00 0.00 C ATOM 307 CD LYS A 43 3.814 -8.954 6.123 1.00 0.00 C ATOM 308 CE LYS A 43 5.162 -8.254 6.292 1.00 0.00 C ATOM 309 NZ LYS A 43 5.661 -7.807 4.959 1.00 0.00 N ATOM 0 H LYS A 43 -0.526 -10.065 7.238 1.00 0.00 H new ATOM 0 HA LYS A 43 1.450 -8.479 8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.503 -9.758 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.680 -8.349 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.655 -7.222 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.867 -7.393 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.732 -9.783 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.735 -9.377 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.058 -7.398 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.881 -8.932 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.578 -7.331 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.775 -8.632 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.978 -7.146 4.536 1.00 0.00 H new ATOM 310 N GLU A 44 -1.100 -6.882 8.342 1.00 0.00 N ATOM 311 CA GLU A 44 -1.759 -5.541 8.349 1.00 0.00 C ATOM 312 C GLU A 44 -1.683 -4.927 6.951 1.00 0.00 C ATOM 313 O GLU A 44 -1.110 -5.491 6.043 1.00 0.00 O ATOM 314 CB GLU A 44 -1.074 -4.628 9.377 1.00 0.00 C ATOM 315 CG GLU A 44 0.275 -4.130 8.847 1.00 0.00 C ATOM 316 CD GLU A 44 0.702 -2.884 9.625 1.00 0.00 C ATOM 317 OE1 GLU A 44 0.172 -2.671 10.703 1.00 0.00 O ATOM 318 OE2 GLU A 44 1.555 -2.164 9.130 1.00 0.00 O ATOM 0 H GLU A 44 -1.640 -7.629 8.778 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.807 -5.651 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.718 -3.778 9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.925 -5.171 10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.028 -4.911 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.197 -3.899 7.785 1.00 0.00 H new ATOM 319 N ARG A 45 -2.266 -3.781 6.762 1.00 0.00 N ATOM 320 CA ARG A 45 -2.221 -3.151 5.412 1.00 0.00 C ATOM 321 C ARG A 45 -0.769 -2.953 4.997 1.00 0.00 C ATOM 322 O ARG A 45 0.146 -3.347 5.693 1.00 0.00 O ATOM 323 CB ARG A 45 -2.897 -1.788 5.446 1.00 0.00 C ATOM 324 CG ARG A 45 -4.347 -1.917 4.974 1.00 0.00 C ATOM 325 CD ARG A 45 -5.139 -0.682 5.411 1.00 0.00 C ATOM 326 NE ARG A 45 -5.834 -0.963 6.700 1.00 0.00 N ATOM 327 CZ ARG A 45 -7.113 -0.729 6.815 1.00 0.00 C ATOM 328 NH1 ARG A 45 -7.575 0.476 6.626 1.00 0.00 N ATOM 329 NH2 ARG A 45 -7.928 -1.698 7.125 1.00 0.00 N ATOM 0 H ARG A 45 -2.769 -3.254 7.476 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.737 -3.801 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.869 -1.383 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.358 -1.088 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.380 -2.018 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.798 -2.817 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.469 0.170 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.867 -0.414 4.645 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.310 -1.338 7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.937 1.235 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.574 0.659 6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.566 -2.639 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.927 -1.515 7.215 1.00 0.00 H new ATOM 330 N GLU A 46 -0.546 -2.340 3.869 1.00 0.00 N ATOM 331 CA GLU A 46 0.848 -2.120 3.423 1.00 0.00 C ATOM 332 C GLU A 46 0.812 -1.448 2.059 1.00 0.00 C ATOM 333 O GLU A 46 -0.042 -1.737 1.252 1.00 0.00 O ATOM 334 CB GLU A 46 1.542 -3.470 3.331 1.00 0.00 C ATOM 335 CG GLU A 46 2.992 -3.334 3.802 1.00 0.00 C ATOM 336 CD GLU A 46 3.755 -4.624 3.490 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.121 -5.664 3.433 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.960 -4.548 3.318 1.00 0.00 O ATOM 0 H GLU A 46 -1.268 -1.985 3.242 1.00 0.00 H new ATOM 0 HA GLU A 46 1.391 -1.485 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.017 -4.203 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.515 -3.835 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.469 -2.488 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.020 -3.133 4.873 1.00 0.00 H new ATOM 339 N ILE A 47 1.709 -0.538 1.804 1.00 0.00 N ATOM 340 CA ILE A 47 1.693 0.170 0.496 1.00 0.00 C ATOM 341 C ILE A 47 2.642 -0.507 -0.495 1.00 0.00 C ATOM 342 O ILE A 47 3.422 -1.368 -0.141 1.00 0.00 O ATOM 343 CB ILE A 47 2.104 1.645 0.708 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.462 2.568 -0.360 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.622 1.771 0.653 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.370 2.741 -1.606 1.00 0.00 C ATOM 0 H ILE A 47 2.451 -0.255 2.444 1.00 0.00 H new ATOM 0 HA ILE A 47 0.686 0.130 0.082 1.00 0.00 H new ATOM 0 HB ILE A 47 1.745 1.959 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.502 2.153 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.261 3.545 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.906 2.813 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.067 1.157 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.980 1.434 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.879 3.395 -2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.321 3.181 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.550 1.768 -2.063 1.00 0.00 H new ATOM 347 N VAL A 48 2.589 -0.102 -1.734 1.00 0.00 N ATOM 348 CA VAL A 48 3.490 -0.662 -2.746 1.00 0.00 C ATOM 349 C VAL A 48 4.046 0.498 -3.560 1.00 0.00 C ATOM 350 O VAL A 48 5.235 0.601 -3.759 1.00 0.00 O ATOM 351 CB VAL A 48 2.748 -1.600 -3.681 1.00 0.00 C ATOM 352 CG1 VAL A 48 1.787 -0.789 -4.533 1.00 0.00 C ATOM 353 CG2 VAL A 48 3.774 -2.309 -4.566 1.00 0.00 C ATOM 0 H VAL A 48 1.943 0.607 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 48 4.281 -1.226 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 48 2.181 -2.341 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.249 -1.454 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.075 -0.274 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.346 -0.056 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.260 -2.989 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.330 -1.570 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.465 -2.875 -3.941 1.00 0.00 H new ATOM 354 N SER A 49 3.219 1.399 -4.040 1.00 0.00 N ATOM 355 CA SER A 49 3.831 2.495 -4.822 1.00 0.00 C ATOM 356 C SER A 49 2.839 3.583 -5.187 1.00 0.00 C ATOM 357 O SER A 49 1.632 3.441 -5.072 1.00 0.00 O ATOM 358 CB SER A 49 4.438 1.926 -6.103 1.00 0.00 C ATOM 359 OG SER A 49 5.525 2.748 -6.512 1.00 0.00 O ATOM 0 H SER A 49 2.205 1.419 -3.929 1.00 0.00 H new ATOM 0 HA SER A 49 4.597 2.948 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.782 0.905 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.684 1.883 -6.889 1.00 0.00 H new ATOM 0 HG SER A 49 6.114 2.917 -5.747 1.00 0.00 H new ATOM 360 N ALA A 50 3.376 4.682 -5.630 1.00 0.00 N ATOM 361 CA ALA A 50 2.521 5.828 -6.029 1.00 0.00 C ATOM 362 C ALA A 50 3.363 6.884 -6.754 1.00 0.00 C ATOM 363 O ALA A 50 4.562 6.757 -6.893 1.00 0.00 O ATOM 364 CB ALA A 50 1.889 6.431 -4.781 1.00 0.00 C ATOM 0 H ALA A 50 4.379 4.836 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 50 1.739 5.484 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.259 7.274 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.283 5.677 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.673 6.774 -4.106 1.00 0.00 H new ATOM 365 N VAL A 51 2.731 7.923 -7.216 1.00 0.00 N ATOM 366 CA VAL A 51 3.459 9.004 -7.938 1.00 0.00 C ATOM 367 C VAL A 51 2.640 10.289 -7.814 1.00 0.00 C ATOM 368 O VAL A 51 1.700 10.512 -8.550 1.00 0.00 O ATOM 369 CB VAL A 51 3.616 8.623 -9.413 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.261 8.201 -9.981 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.145 9.824 -10.197 1.00 0.00 C ATOM 0 H VAL A 51 1.726 8.073 -7.124 1.00 0.00 H new ATOM 0 HA VAL A 51 4.451 9.148 -7.510 1.00 0.00 H new ATOM 0 HB VAL A 51 4.319 7.794 -9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.375 7.930 -11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.884 7.343 -9.424 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.556 9.028 -9.894 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.257 9.553 -11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.443 10.653 -10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.113 10.123 -9.795 1.00 0.00 H new ATOM 372 N SER A 52 2.969 11.115 -6.863 1.00 0.00 N ATOM 373 CA SER A 52 2.185 12.368 -6.657 1.00 0.00 C ATOM 374 C SER A 52 2.875 13.573 -7.308 1.00 0.00 C ATOM 375 O SER A 52 4.075 13.586 -7.520 1.00 0.00 O ATOM 376 CB SER A 52 2.042 12.621 -5.162 1.00 0.00 C ATOM 377 OG SER A 52 1.094 13.659 -4.948 1.00 0.00 O ATOM 0 H SER A 52 3.747 10.979 -6.218 1.00 0.00 H new ATOM 0 HA SER A 52 1.207 12.243 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.721 11.710 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.005 12.900 -4.735 1.00 0.00 H new ATOM 0 HG SER A 52 1.115 13.932 -4.007 1.00 0.00 H new ATOM 378 N GLY A 53 2.107 14.589 -7.616 1.00 0.00 N ATOM 379 CA GLY A 53 2.674 15.815 -8.250 1.00 0.00 C ATOM 380 C GLY A 53 3.206 15.460 -9.632 1.00 0.00 C ATOM 381 O GLY A 53 2.947 14.388 -10.140 1.00 0.00 O ATOM 0 H GLY A 53 1.101 14.619 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.908 16.586 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.474 16.222 -7.632 1.00 0.00 H new ATOM 382 N SER A 54 3.963 16.339 -10.241 1.00 0.00 N ATOM 383 CA SER A 54 4.526 16.021 -11.585 1.00 0.00 C ATOM 384 C SER A 54 5.039 14.584 -11.544 1.00 0.00 C ATOM 385 O SER A 54 5.062 13.881 -12.534 1.00 0.00 O ATOM 386 CB SER A 54 5.683 16.972 -11.896 1.00 0.00 C ATOM 387 OG SER A 54 5.982 17.740 -10.737 1.00 0.00 O ATOM 0 H SER A 54 4.213 17.255 -9.868 1.00 0.00 H new ATOM 0 HA SER A 54 3.765 16.134 -12.357 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.561 16.406 -12.208 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.417 17.629 -12.724 1.00 0.00 H new ATOM 0 HG SER A 54 5.382 18.514 -10.693 1.00 0.00 H new ATOM 388 N GLY A 55 5.426 14.148 -10.377 1.00 0.00 N ATOM 389 CA GLY A 55 5.919 12.761 -10.208 1.00 0.00 C ATOM 390 C GLY A 55 7.052 12.763 -9.187 1.00 0.00 C ATOM 391 O GLY A 55 7.412 11.740 -8.640 1.00 0.00 O ATOM 0 H GLY A 55 5.420 14.706 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.110 12.111 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.271 12.367 -11.161 1.00 0.00 H new ATOM 392 N GLY A 56 7.610 13.914 -8.915 1.00 0.00 N ATOM 393 CA GLY A 56 8.708 13.989 -7.915 1.00 0.00 C ATOM 394 C GLY A 56 8.321 13.146 -6.702 1.00 0.00 C ATOM 395 O GLY A 56 9.159 12.553 -6.052 1.00 0.00 O ATOM 0 H GLY A 56 7.351 14.803 -9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.639 13.624 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.879 15.024 -7.618 1.00 0.00 H new ATOM 396 N SER A 57 7.051 13.078 -6.404 1.00 0.00 N ATOM 397 CA SER A 57 6.604 12.259 -5.246 1.00 0.00 C ATOM 398 C SER A 57 6.354 10.833 -5.730 1.00 0.00 C ATOM 399 O SER A 57 5.970 10.612 -6.861 1.00 0.00 O ATOM 400 CB SER A 57 5.315 12.842 -4.676 1.00 0.00 C ATOM 401 OG SER A 57 5.628 13.950 -3.843 1.00 0.00 O ATOM 0 H SER A 57 6.307 13.554 -6.913 1.00 0.00 H new ATOM 0 HA SER A 57 7.367 12.260 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.655 13.156 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.780 12.083 -4.105 1.00 0.00 H new ATOM 0 HG SER A 57 4.801 14.328 -3.477 1.00 0.00 H new ATOM 402 N THR A 58 6.569 9.861 -4.893 1.00 0.00 N ATOM 403 CA THR A 58 6.351 8.458 -5.328 1.00 0.00 C ATOM 404 C THR A 58 6.301 7.561 -4.101 1.00 0.00 C ATOM 405 O THR A 58 6.740 7.929 -3.031 1.00 0.00 O ATOM 406 CB THR A 58 7.505 8.019 -6.229 1.00 0.00 C ATOM 407 OG1 THR A 58 8.724 8.556 -5.734 1.00 0.00 O ATOM 408 CG2 THR A 58 7.265 8.523 -7.652 1.00 0.00 C ATOM 0 H THR A 58 6.885 9.977 -3.930 1.00 0.00 H new ATOM 0 HA THR A 58 5.413 8.385 -5.879 1.00 0.00 H new ATOM 0 HB THR A 58 7.564 6.931 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.464 8.273 -6.311 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.089 8.209 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.331 8.109 -8.032 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.204 9.611 -7.647 1.00 0.00 H new ATOM 409 N TYR A 59 5.774 6.384 -4.244 1.00 0.00 N ATOM 410 CA TYR A 59 5.704 5.471 -3.081 1.00 0.00 C ATOM 411 C TYR A 59 6.334 4.138 -3.433 1.00 0.00 C ATOM 412 O TYR A 59 6.414 3.767 -4.592 1.00 0.00 O ATOM 413 CB TYR A 59 4.267 5.264 -2.675 1.00 0.00 C ATOM 414 CG TYR A 59 4.101 5.777 -1.278 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.044 7.153 -1.036 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.016 4.873 -0.225 1.00 0.00 C ATOM 417 CE1 TYR A 59 3.896 7.621 0.276 1.00 0.00 C ATOM 418 CE2 TYR A 59 3.867 5.331 1.084 1.00 0.00 C ATOM 419 CZ TYR A 59 3.807 6.709 1.337 1.00 0.00 C ATOM 420 OH TYR A 59 3.662 7.169 2.629 1.00 0.00 O ATOM 0 H TYR A 59 5.390 6.016 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 59 6.249 5.916 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.599 5.791 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.005 4.207 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.114 7.852 -1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.066 3.812 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.851 8.682 0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.798 4.627 1.900 1.00 0.00 H new ATOM 0 HH TYR A 59 3.615 6.407 3.244 1.00 0.00 H new ATOM 421 N TYR A 60 6.822 3.443 -2.436 1.00 0.00 N ATOM 422 CA TYR A 60 7.516 2.144 -2.670 1.00 0.00 C ATOM 423 C TYR A 60 7.302 1.194 -1.489 1.00 0.00 C ATOM 424 O TYR A 60 8.253 0.734 -0.891 1.00 0.00 O ATOM 425 CB TYR A 60 9.015 2.412 -2.760 1.00 0.00 C ATOM 426 CG TYR A 60 9.319 3.297 -3.934 1.00 0.00 C ATOM 427 CD1 TYR A 60 8.923 4.637 -3.919 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.006 2.781 -5.032 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.212 5.465 -5.009 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.298 3.600 -6.124 1.00 0.00 C ATOM 431 CZ TYR A 60 9.902 4.946 -6.115 1.00 0.00 C ATOM 432 OH TYR A 60 10.190 5.759 -7.192 1.00 0.00 O ATOM 0 H TYR A 60 6.767 3.726 -1.458 1.00 0.00 H new ATOM 0 HA TYR A 60 7.120 1.697 -3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.362 2.884 -1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.554 1.470 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.393 5.034 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.313 1.746 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.905 6.500 -4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.828 3.198 -6.975 1.00 0.00 H new ATOM 0 HH TYR A 60 10.672 5.243 -7.871 1.00 0.00 H new ATOM 433 N ALA A 61 6.091 0.887 -1.140 1.00 0.00 N ATOM 434 CA ALA A 61 5.884 -0.041 0.007 1.00 0.00 C ATOM 435 C ALA A 61 6.705 0.437 1.207 1.00 0.00 C ATOM 436 O ALA A 61 7.111 1.580 1.275 1.00 0.00 O ATOM 437 CB ALA A 61 6.318 -1.449 -0.395 1.00 0.00 C ATOM 0 H ALA A 61 5.242 1.231 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 61 4.829 -0.056 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.167 -2.129 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.724 -1.784 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.373 -1.440 -0.670 1.00 0.00 H new ATOM 438 N ASP A 62 6.946 -0.421 2.161 1.00 0.00 N ATOM 439 CA ASP A 62 7.731 0.000 3.357 1.00 0.00 C ATOM 440 C ASP A 62 9.061 -0.760 3.411 1.00 0.00 C ATOM 441 O ASP A 62 10.110 -0.178 3.602 1.00 0.00 O ATOM 442 CB ASP A 62 6.925 -0.298 4.625 1.00 0.00 C ATOM 443 CG ASP A 62 7.618 0.336 5.832 1.00 0.00 C ATOM 444 OD1 ASP A 62 8.110 1.445 5.693 1.00 0.00 O ATOM 445 OD2 ASP A 62 7.644 -0.296 6.876 1.00 0.00 O ATOM 0 H ASP A 62 6.634 -1.392 2.164 1.00 0.00 H new ATOM 0 HA ASP A 62 7.934 1.069 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.913 0.095 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.837 -1.375 4.768 1.00 0.00 H new ATOM 446 N SER A 63 9.028 -2.055 3.252 1.00 0.00 N ATOM 447 CA SER A 63 10.293 -2.842 3.302 1.00 0.00 C ATOM 448 C SER A 63 11.047 -2.695 1.982 1.00 0.00 C ATOM 449 O SER A 63 12.166 -3.148 1.843 1.00 0.00 O ATOM 450 CB SER A 63 9.971 -4.317 3.521 1.00 0.00 C ATOM 451 OG SER A 63 8.580 -4.462 3.777 1.00 0.00 O ATOM 0 H SER A 63 8.182 -2.601 3.090 1.00 0.00 H new ATOM 0 HA SER A 63 10.908 -2.470 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.253 -4.897 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.549 -4.707 4.359 1.00 0.00 H new ATOM 0 HG SER A 63 8.370 -5.409 3.916 1.00 0.00 H new ATOM 452 N VAL A 64 10.446 -2.071 1.011 1.00 0.00 N ATOM 453 CA VAL A 64 11.135 -1.907 -0.294 1.00 0.00 C ATOM 454 C VAL A 64 11.406 -0.425 -0.545 1.00 0.00 C ATOM 455 O VAL A 64 11.516 0.009 -1.670 1.00 0.00 O ATOM 456 CB VAL A 64 10.255 -2.460 -1.412 1.00 0.00 C ATOM 457 CG1 VAL A 64 9.955 -3.935 -1.139 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.948 -1.675 -1.457 1.00 0.00 C ATOM 0 H VAL A 64 9.510 -1.669 1.065 1.00 0.00 H new ATOM 0 HA VAL A 64 12.079 -2.451 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 64 10.771 -2.365 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.327 -4.332 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.889 -4.495 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.435 -4.030 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.316 -2.066 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.431 -1.774 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.162 -0.623 -1.647 1.00 0.00 H new ATOM 459 N LYS A 65 11.514 0.355 0.494 1.00 0.00 N ATOM 460 CA LYS A 65 11.785 1.809 0.302 1.00 0.00 C ATOM 461 C LYS A 65 13.055 1.969 -0.537 1.00 0.00 C ATOM 462 O LYS A 65 14.147 1.690 -0.084 1.00 0.00 O ATOM 463 CB LYS A 65 11.975 2.483 1.664 1.00 0.00 C ATOM 464 CG LYS A 65 13.178 1.866 2.381 1.00 0.00 C ATOM 465 CD LYS A 65 12.789 1.513 3.819 1.00 0.00 C ATOM 466 CE LYS A 65 13.194 0.069 4.117 1.00 0.00 C ATOM 467 NZ LYS A 65 14.485 0.059 4.860 1.00 0.00 N ATOM 0 H LYS A 65 11.427 0.052 1.464 1.00 0.00 H new ATOM 0 HA LYS A 65 10.944 2.277 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.128 3.554 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.077 2.361 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.510 0.972 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.014 2.566 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.280 2.191 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.715 1.637 3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.420 -0.423 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.293 -0.492 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.761 -0.923 5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.221 0.513 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.375 0.580 5.754 1.00 0.00 H new ATOM 468 N GLY A 66 12.920 2.399 -1.762 1.00 0.00 N ATOM 469 CA GLY A 66 14.122 2.553 -2.632 1.00 0.00 C ATOM 470 C GLY A 66 14.439 1.199 -3.268 1.00 0.00 C ATOM 471 O GLY A 66 15.581 0.867 -3.520 1.00 0.00 O ATOM 0 H GLY A 66 12.032 2.650 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.937 3.300 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.971 2.904 -2.046 1.00 0.00 H new ATOM 472 N ARG A 67 13.427 0.416 -3.518 1.00 0.00 N ATOM 473 CA ARG A 67 13.639 -0.927 -4.128 1.00 0.00 C ATOM 474 C ARG A 67 12.346 -1.387 -4.814 1.00 0.00 C ATOM 475 O ARG A 67 12.168 -2.554 -5.106 1.00 0.00 O ATOM 476 CB ARG A 67 14.010 -1.924 -3.030 1.00 0.00 C ATOM 477 CG ARG A 67 15.410 -2.475 -3.296 1.00 0.00 C ATOM 478 CD ARG A 67 15.298 -3.805 -4.042 1.00 0.00 C ATOM 479 NE ARG A 67 15.907 -4.890 -3.223 1.00 0.00 N ATOM 480 CZ ARG A 67 15.293 -5.328 -2.157 1.00 0.00 C ATOM 481 NH1 ARG A 67 14.121 -5.893 -2.262 1.00 0.00 N ATOM 482 NH2 ARG A 67 15.853 -5.203 -0.985 1.00 0.00 N ATOM 0 H ARG A 67 12.454 0.651 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 67 14.441 -0.872 -4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.978 -1.437 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.286 -2.738 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.988 -1.762 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.942 -2.617 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.252 -4.033 -4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.802 -3.736 -5.006 1.00 0.00 H new ATOM 0 HE ARG A 67 16.804 -5.291 -3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.683 -5.993 -3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.643 -6.235 -1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.770 -4.763 -0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.374 -5.545 -0.152 1.00 0.00 H new ATOM 483 N PHE A 68 11.452 -0.474 -5.079 1.00 0.00 N ATOM 484 CA PHE A 68 10.168 -0.828 -5.750 1.00 0.00 C ATOM 485 C PHE A 68 10.040 0.045 -6.994 1.00 0.00 C ATOM 486 O PHE A 68 10.800 0.977 -7.172 1.00 0.00 O ATOM 487 CB PHE A 68 9.010 -0.506 -4.811 1.00 0.00 C ATOM 488 CG PHE A 68 8.428 -1.773 -4.244 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.204 -2.932 -4.145 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.104 -1.779 -3.809 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.646 -4.096 -3.609 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.548 -2.938 -3.274 1.00 0.00 C ATOM 493 CZ PHE A 68 7.319 -4.095 -3.171 1.00 0.00 C ATOM 0 H PHE A 68 11.558 0.516 -4.856 1.00 0.00 H new ATOM 0 HA PHE A 68 10.150 -1.887 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.357 0.136 -4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.240 0.047 -5.349 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.230 -2.928 -4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.508 -0.882 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.240 -4.995 -3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.521 -2.941 -2.939 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.890 -4.993 -2.752 1.00 0.00 H new ATOM 494 N THR A 69 9.105 -0.221 -7.860 1.00 0.00 N ATOM 495 CA THR A 69 8.997 0.647 -9.066 1.00 0.00 C ATOM 496 C THR A 69 7.533 0.934 -9.419 1.00 0.00 C ATOM 497 O THR A 69 6.756 0.036 -9.675 1.00 0.00 O ATOM 498 CB THR A 69 9.670 -0.051 -10.243 1.00 0.00 C ATOM 499 OG1 THR A 69 9.861 0.880 -11.299 1.00 0.00 O ATOM 500 CG2 THR A 69 8.785 -1.196 -10.719 1.00 0.00 C ATOM 0 H THR A 69 8.427 -0.980 -7.791 1.00 0.00 H new ATOM 0 HA THR A 69 9.488 1.596 -8.852 1.00 0.00 H new ATOM 0 HB THR A 69 10.638 -0.445 -9.933 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.295 0.432 -12.055 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.262 -1.699 -11.561 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.641 -1.907 -9.906 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.818 -0.803 -11.032 1.00 0.00 H new ATOM 501 N ILE A 70 7.167 2.190 -9.468 1.00 0.00 N ATOM 502 CA ILE A 70 5.772 2.556 -9.844 1.00 0.00 C ATOM 503 C ILE A 70 5.669 2.522 -11.372 1.00 0.00 C ATOM 504 O ILE A 70 5.688 3.547 -12.023 1.00 0.00 O ATOM 505 CB ILE A 70 5.462 3.960 -9.336 1.00 0.00 C ATOM 506 CG1 ILE A 70 4.061 4.379 -9.792 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.495 4.921 -9.901 1.00 0.00 C ATOM 508 CD1 ILE A 70 3.027 3.392 -9.249 1.00 0.00 C ATOM 0 H ILE A 70 7.779 2.980 -9.262 1.00 0.00 H new ATOM 0 HA ILE A 70 5.060 1.858 -9.403 1.00 0.00 H new ATOM 0 HB ILE A 70 5.496 3.976 -8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.838 5.386 -9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.015 4.407 -10.881 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.286 5.930 -9.546 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.490 4.620 -9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.451 4.903 -10.990 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.031 3.692 -9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.246 2.392 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.066 3.387 -8.160 1.00 0.00 H new ATOM 509 N SER A 71 5.570 1.351 -11.952 1.00 0.00 N ATOM 510 CA SER A 71 5.477 1.271 -13.439 1.00 0.00 C ATOM 511 C SER A 71 4.222 2.015 -13.873 1.00 0.00 C ATOM 512 O SER A 71 3.317 2.204 -13.086 1.00 0.00 O ATOM 513 CB SER A 71 5.397 -0.196 -13.874 1.00 0.00 C ATOM 514 OG SER A 71 6.399 -0.451 -14.851 1.00 0.00 O ATOM 0 H SER A 71 5.550 0.456 -11.464 1.00 0.00 H new ATOM 0 HA SER A 71 6.357 1.719 -13.901 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.536 -0.851 -13.014 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.410 -0.413 -14.283 1.00 0.00 H new ATOM 0 HG SER A 71 6.352 -1.389 -15.131 1.00 0.00 H new ATOM 515 N ARG A 72 4.140 2.460 -15.098 1.00 0.00 N ATOM 516 CA ARG A 72 2.910 3.195 -15.488 1.00 0.00 C ATOM 517 C ARG A 72 2.666 3.160 -17.006 1.00 0.00 C ATOM 518 O ARG A 72 3.582 3.058 -17.798 1.00 0.00 O ATOM 519 CB ARG A 72 3.003 4.642 -14.958 1.00 0.00 C ATOM 520 CG ARG A 72 3.144 5.654 -16.102 1.00 0.00 C ATOM 521 CD ARG A 72 1.756 6.009 -16.638 1.00 0.00 C ATOM 522 NE ARG A 72 1.719 7.459 -16.976 1.00 0.00 N ATOM 523 CZ ARG A 72 2.718 8.003 -17.619 1.00 0.00 C ATOM 524 NH1 ARG A 72 3.294 7.355 -18.596 1.00 0.00 N ATOM 525 NH2 ARG A 72 3.144 9.191 -17.286 1.00 0.00 N ATOM 0 H ARG A 72 4.849 2.350 -15.823 1.00 0.00 H new ATOM 0 HA ARG A 72 2.049 2.700 -15.038 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.113 4.874 -14.374 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.857 4.730 -14.286 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.650 6.552 -15.748 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.758 5.235 -16.899 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.530 5.411 -17.521 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.995 5.777 -15.893 1.00 0.00 H new ATOM 0 HE ARG A 72 0.915 8.026 -16.706 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.964 6.426 -18.856 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.074 7.778 -19.099 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.697 9.697 -16.522 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.924 9.613 -17.790 1.00 0.00 H new ATOM 526 N ASP A 73 1.418 3.260 -17.404 1.00 0.00 N ATOM 527 CA ASP A 73 1.077 3.252 -18.855 1.00 0.00 C ATOM 528 C ASP A 73 0.036 4.355 -19.134 1.00 0.00 C ATOM 529 O ASP A 73 -1.160 4.169 -18.958 1.00 0.00 O ATOM 530 CB ASP A 73 0.524 1.880 -19.243 1.00 0.00 C ATOM 531 CG ASP A 73 1.495 0.791 -18.784 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.836 0.783 -17.614 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.883 -0.017 -19.613 1.00 0.00 O ATOM 0 H ASP A 73 0.618 3.347 -16.777 1.00 0.00 H new ATOM 0 HA ASP A 73 1.969 3.447 -19.450 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.453 1.727 -18.785 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.383 1.825 -20.322 1.00 0.00 H new ATOM 534 N ASN A 74 0.512 5.506 -19.545 1.00 0.00 N ATOM 535 CA ASN A 74 -0.366 6.682 -19.835 1.00 0.00 C ATOM 536 C ASN A 74 -1.509 6.327 -20.796 1.00 0.00 C ATOM 537 O ASN A 74 -2.657 6.238 -20.412 1.00 0.00 O ATOM 538 CB ASN A 74 0.487 7.757 -20.501 1.00 0.00 C ATOM 539 CG ASN A 74 -0.409 8.894 -20.995 1.00 0.00 C ATOM 540 OD1 ASN A 74 -1.122 8.741 -21.968 1.00 0.00 O ATOM 541 ND2 ASN A 74 -0.404 10.036 -20.364 1.00 0.00 N ATOM 0 H ASN A 74 1.505 5.683 -19.696 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.801 7.020 -18.894 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.222 8.141 -19.794 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.042 7.329 -21.336 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.998 10.800 -20.687 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.194 10.165 -19.548 1.00 0.00 H new ATOM 542 N SER A 75 -1.206 6.166 -22.059 1.00 0.00 N ATOM 543 CA SER A 75 -2.274 5.865 -23.063 1.00 0.00 C ATOM 544 C SER A 75 -2.702 4.396 -22.997 1.00 0.00 C ATOM 545 O SER A 75 -3.100 3.817 -23.987 1.00 0.00 O ATOM 546 CB SER A 75 -1.749 6.173 -24.464 1.00 0.00 C ATOM 547 OG SER A 75 -1.777 7.577 -24.677 1.00 0.00 O ATOM 0 H SER A 75 -0.262 6.230 -22.440 1.00 0.00 H new ATOM 0 HA SER A 75 -3.141 6.485 -22.837 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.732 5.797 -24.575 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.359 5.668 -25.213 1.00 0.00 H new ATOM 0 HG SER A 75 -1.574 8.039 -23.837 1.00 0.00 H new ATOM 548 N LYS A 76 -2.642 3.791 -21.846 1.00 0.00 N ATOM 549 CA LYS A 76 -3.063 2.376 -21.728 1.00 0.00 C ATOM 550 C LYS A 76 -4.194 2.285 -20.706 1.00 0.00 C ATOM 551 O LYS A 76 -4.794 1.245 -20.517 1.00 0.00 O ATOM 552 CB LYS A 76 -1.874 1.537 -21.268 1.00 0.00 C ATOM 553 CG LYS A 76 -0.744 1.655 -22.299 1.00 0.00 C ATOM 554 CD LYS A 76 -0.103 3.048 -22.218 1.00 0.00 C ATOM 555 CE LYS A 76 1.415 2.917 -22.362 1.00 0.00 C ATOM 556 NZ LYS A 76 1.953 4.120 -23.058 1.00 0.00 N ATOM 0 H LYS A 76 -2.317 4.220 -20.980 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.412 2.002 -22.691 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.529 1.878 -20.292 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.171 0.495 -21.155 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.008 0.888 -22.115 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.136 1.484 -23.302 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.500 3.690 -23.005 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.350 3.520 -21.267 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.877 2.815 -21.380 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.661 2.017 -22.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.985 4.032 -23.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.521 4.198 -24.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.730 4.971 -22.503 1.00 0.00 H new ATOM 557 N ASN A 77 -4.498 3.375 -20.049 1.00 0.00 N ATOM 558 CA ASN A 77 -5.584 3.364 -19.057 1.00 0.00 C ATOM 559 C ASN A 77 -5.103 2.712 -17.772 1.00 0.00 C ATOM 560 O ASN A 77 -5.893 2.195 -17.027 1.00 0.00 O ATOM 561 CB ASN A 77 -6.783 2.591 -19.610 1.00 0.00 C ATOM 562 CG ASN A 77 -6.960 2.913 -21.095 1.00 0.00 C ATOM 563 OD1 ASN A 77 -7.576 4.010 -21.442 1.00 0.00 O flip ATOM 564 ND2 ASN A 77 -6.536 2.159 -21.948 1.00 0.00 N flip ATOM 0 H ASN A 77 -4.029 4.273 -20.167 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.884 4.390 -18.847 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.632 1.520 -19.475 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.685 2.857 -19.060 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.055 1.302 -21.677 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.661 2.383 -22.935 1.00 0.00 H new ATOM 565 N THR A 78 -3.830 2.744 -17.475 1.00 0.00 N ATOM 566 CA THR A 78 -3.398 2.135 -16.191 1.00 0.00 C ATOM 567 C THR A 78 -1.887 2.176 -16.050 1.00 0.00 C ATOM 568 O THR A 78 -1.159 2.448 -16.980 1.00 0.00 O ATOM 569 CB THR A 78 -3.861 0.684 -16.146 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.317 0.045 -15.000 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.385 -0.025 -17.407 1.00 0.00 C ATOM 0 H THR A 78 -3.093 3.153 -18.049 1.00 0.00 H new ATOM 0 HA THR A 78 -3.840 2.703 -15.373 1.00 0.00 H new ATOM 0 HB THR A 78 -4.949 0.644 -16.091 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.617 -0.887 -14.972 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.711 -1.065 -17.385 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.806 0.469 -18.283 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.297 0.013 -17.457 1.00 0.00 H new ATOM 572 N LEU A 79 -1.429 1.885 -14.874 1.00 0.00 N ATOM 573 CA LEU A 79 0.018 1.864 -14.596 1.00 0.00 C ATOM 574 C LEU A 79 0.321 0.530 -13.929 1.00 0.00 C ATOM 575 O LEU A 79 -0.569 -0.119 -13.442 1.00 0.00 O ATOM 576 CB LEU A 79 0.366 3.011 -13.655 1.00 0.00 C ATOM 577 CG LEU A 79 -0.629 3.027 -12.508 1.00 0.00 C ATOM 578 CD1 LEU A 79 0.107 3.380 -11.216 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.709 4.070 -12.795 1.00 0.00 C ATOM 0 H LEU A 79 -2.017 1.655 -14.073 1.00 0.00 H new ATOM 0 HA LEU A 79 0.602 1.979 -15.509 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.380 2.890 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.338 3.960 -14.191 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.096 2.048 -12.402 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.600 3.394 -10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.879 2.636 -11.022 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.568 4.363 -11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.427 4.086 -11.975 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.248 5.053 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.223 3.816 -13.722 1.00 0.00 H new ATOM 580 N TYR A 80 1.544 0.091 -13.923 1.00 0.00 N ATOM 581 CA TYR A 80 1.832 -1.233 -13.309 1.00 0.00 C ATOM 582 C TYR A 80 2.926 -1.107 -12.269 1.00 0.00 C ATOM 583 O TYR A 80 3.544 -0.074 -12.123 1.00 0.00 O ATOM 584 CB TYR A 80 2.259 -2.202 -14.402 1.00 0.00 C ATOM 585 CG TYR A 80 1.137 -2.327 -15.402 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.698 -1.202 -16.110 1.00 0.00 C ATOM 587 CD2 TYR A 80 0.541 -3.569 -15.626 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.334 -1.320 -17.045 1.00 0.00 C ATOM 589 CE2 TYR A 80 -0.496 -3.691 -16.559 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.933 -2.565 -17.271 1.00 0.00 C ATOM 591 OH TYR A 80 -1.953 -2.685 -18.194 1.00 0.00 O ATOM 0 H TYR A 80 2.349 0.583 -14.311 1.00 0.00 H new ATOM 0 HA TYR A 80 0.934 -1.606 -12.816 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.164 -1.844 -14.892 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.493 -3.176 -13.973 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.158 -0.241 -15.933 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.880 -4.437 -15.079 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.669 -0.452 -17.593 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.959 -4.652 -16.730 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.255 -3.617 -18.228 1.00 0.00 H new ATOM 592 N LEU A 81 3.148 -2.148 -11.525 1.00 0.00 N ATOM 593 CA LEU A 81 4.179 -2.083 -10.461 1.00 0.00 C ATOM 594 C LEU A 81 5.080 -3.303 -10.475 1.00 0.00 C ATOM 595 O LEU A 81 4.635 -4.422 -10.653 1.00 0.00 O ATOM 596 CB LEU A 81 3.500 -2.139 -9.102 1.00 0.00 C ATOM 597 CG LEU A 81 2.895 -0.810 -8.691 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.989 -0.707 -7.176 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.644 0.366 -9.272 1.00 0.00 C ATOM 0 H LEU A 81 2.661 -3.040 -11.607 1.00 0.00 H new ATOM 0 HA LEU A 81 4.745 -1.168 -10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.718 -2.898 -9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.226 -2.450 -8.351 1.00 0.00 H new ATOM 0 HG LEU A 81 1.868 -0.778 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.561 0.240 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.439 -1.530 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.035 -0.757 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.172 1.294 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.678 0.345 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.623 0.309 -10.360 1.00 0.00 H new ATOM 600 N GLN A 82 6.317 -3.094 -10.148 1.00 0.00 N ATOM 601 CA GLN A 82 7.244 -4.227 -9.987 1.00 0.00 C ATOM 602 C GLN A 82 7.628 -4.179 -8.508 1.00 0.00 C ATOM 603 O GLN A 82 8.494 -3.420 -8.098 1.00 0.00 O ATOM 604 CB GLN A 82 8.477 -4.082 -10.882 1.00 0.00 C ATOM 605 CG GLN A 82 8.053 -3.541 -12.249 1.00 0.00 C ATOM 606 CD GLN A 82 7.110 -4.542 -12.919 1.00 0.00 C ATOM 607 OE1 GLN A 82 6.033 -4.185 -13.351 1.00 0.00 O ATOM 608 NE2 GLN A 82 7.474 -5.791 -13.024 1.00 0.00 N ATOM 0 H GLN A 82 6.726 -2.174 -9.984 1.00 0.00 H new ATOM 0 HA GLN A 82 6.791 -5.175 -10.276 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.198 -3.408 -10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.971 -5.047 -10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.557 -2.578 -12.133 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.930 -3.375 -12.875 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.379 -6.091 -12.661 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.854 -6.467 -13.469 1.00 0.00 H new ATOM 609 N MET A 83 6.926 -4.920 -7.695 1.00 0.00 N ATOM 610 CA MET A 83 7.173 -4.878 -6.221 1.00 0.00 C ATOM 611 C MET A 83 7.655 -6.252 -5.738 1.00 0.00 C ATOM 612 O MET A 83 6.923 -7.220 -5.768 1.00 0.00 O ATOM 613 CB MET A 83 5.852 -4.505 -5.503 1.00 0.00 C ATOM 614 CG MET A 83 4.655 -5.014 -6.311 1.00 0.00 C ATOM 615 SD MET A 83 3.311 -5.442 -5.179 1.00 0.00 S ATOM 616 CE MET A 83 2.068 -4.324 -5.869 1.00 0.00 C ATOM 0 H MET A 83 6.186 -5.558 -7.988 1.00 0.00 H new ATOM 0 HA MET A 83 7.938 -4.135 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.837 -4.939 -4.503 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.787 -3.424 -5.383 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.324 -4.250 -7.014 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.942 -5.886 -6.899 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.129 -4.862 -6.003 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.913 -3.487 -5.188 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.412 -3.948 -6.833 1.00 0.00 H new ATOM 617 N ASN A 84 8.883 -6.344 -5.298 1.00 0.00 N ATOM 618 CA ASN A 84 9.408 -7.656 -4.822 1.00 0.00 C ATOM 619 C ASN A 84 9.740 -7.578 -3.327 1.00 0.00 C ATOM 620 O ASN A 84 9.134 -6.832 -2.583 1.00 0.00 O ATOM 621 CB ASN A 84 10.674 -8.011 -5.605 1.00 0.00 C ATOM 622 CG ASN A 84 11.839 -7.141 -5.127 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.618 -7.555 -4.292 1.00 0.00 O ATOM 624 ND2 ASN A 84 11.992 -5.943 -5.623 1.00 0.00 N ATOM 0 H ASN A 84 9.543 -5.568 -5.248 1.00 0.00 H new ATOM 0 HA ASN A 84 8.649 -8.422 -4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.915 -9.065 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.508 -7.859 -6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.765 -5.356 -5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.339 -5.594 -6.324 1.00 0.00 H new ATOM 625 N SER A 85 10.696 -8.348 -2.882 1.00 0.00 N ATOM 626 CA SER A 85 11.067 -8.327 -1.439 1.00 0.00 C ATOM 627 C SER A 85 9.950 -8.974 -0.612 1.00 0.00 C ATOM 628 O SER A 85 9.996 -8.998 0.601 1.00 0.00 O ATOM 629 CB SER A 85 11.275 -6.881 -0.983 1.00 0.00 C ATOM 630 OG SER A 85 10.104 -6.423 -0.318 1.00 0.00 O ATOM 0 H SER A 85 11.237 -8.993 -3.458 1.00 0.00 H new ATOM 0 HA SER A 85 11.992 -8.886 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.134 -6.819 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.492 -6.245 -1.841 1.00 0.00 H new ATOM 0 HG SER A 85 9.358 -6.392 -0.953 1.00 0.00 H new ATOM 631 N LEU A 86 8.947 -9.502 -1.263 1.00 0.00 N ATOM 632 CA LEU A 86 7.828 -10.152 -0.524 1.00 0.00 C ATOM 633 C LEU A 86 8.326 -11.464 0.090 1.00 0.00 C ATOM 634 O LEU A 86 9.515 -11.710 0.152 1.00 0.00 O ATOM 635 CB LEU A 86 6.692 -10.437 -1.502 1.00 0.00 C ATOM 636 CG LEU A 86 5.924 -9.145 -1.789 1.00 0.00 C ATOM 637 CD1 LEU A 86 5.179 -8.699 -0.531 1.00 0.00 C ATOM 638 CD2 LEU A 86 6.910 -8.052 -2.214 1.00 0.00 C ATOM 0 H LEU A 86 8.856 -9.510 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 86 7.470 -9.497 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.092 -10.848 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.019 -11.187 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 86 5.205 -9.321 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.633 -7.779 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.478 -9.477 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.894 -8.523 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.365 -7.130 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.628 -7.878 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.439 -8.369 -3.113 1.00 0.00 H new ATOM 639 N ARG A 87 7.441 -12.311 0.556 1.00 0.00 N ATOM 640 CA ARG A 87 7.907 -13.581 1.166 1.00 0.00 C ATOM 641 C ARG A 87 6.851 -14.683 1.044 1.00 0.00 C ATOM 642 O ARG A 87 5.673 -14.464 1.234 1.00 0.00 O ATOM 643 CB ARG A 87 8.208 -13.343 2.640 1.00 0.00 C ATOM 644 CG ARG A 87 9.604 -13.865 2.937 1.00 0.00 C ATOM 645 CD ARG A 87 10.395 -12.801 3.700 1.00 0.00 C ATOM 646 NE ARG A 87 11.814 -12.817 3.247 1.00 0.00 N ATOM 647 CZ ARG A 87 12.728 -13.383 3.985 1.00 0.00 C ATOM 648 NH1 ARG A 87 12.434 -14.438 4.694 1.00 0.00 N ATOM 649 NH2 ARG A 87 13.937 -12.892 4.014 1.00 0.00 N ATOM 0 H ARG A 87 6.430 -12.175 0.538 1.00 0.00 H new ATOM 0 HA ARG A 87 8.802 -13.906 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.143 -12.280 2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.473 -13.851 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.544 -14.780 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.115 -14.117 2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.959 -11.817 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.342 -12.992 4.772 1.00 0.00 H new ATOM 0 HE ARG A 87 12.071 -12.385 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.489 -14.821 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.149 -14.880 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.166 -12.067 3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.653 -13.334 4.591 1.00 0.00 H new ATOM 650 N ALA A 88 7.298 -15.877 0.767 1.00 0.00 N ATOM 651 CA ALA A 88 6.379 -17.045 0.665 1.00 0.00 C ATOM 652 C ALA A 88 5.933 -17.399 2.070 1.00 0.00 C ATOM 653 O ALA A 88 6.491 -18.271 2.706 1.00 0.00 O ATOM 654 CB ALA A 88 7.130 -18.231 0.060 1.00 0.00 C ATOM 0 H ALA A 88 8.281 -16.096 0.604 1.00 0.00 H new ATOM 0 HA ALA A 88 5.522 -16.808 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.459 -19.087 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.491 -17.965 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.976 -18.489 0.697 1.00 0.00 H new ATOM 655 N GLU A 89 4.952 -16.705 2.567 1.00 0.00 N ATOM 656 CA GLU A 89 4.479 -16.956 3.948 1.00 0.00 C ATOM 657 C GLU A 89 3.705 -15.722 4.436 1.00 0.00 C ATOM 658 O GLU A 89 2.998 -15.776 5.424 1.00 0.00 O ATOM 659 CB GLU A 89 5.701 -17.194 4.845 1.00 0.00 C ATOM 660 CG GLU A 89 5.355 -16.887 6.300 1.00 0.00 C ATOM 661 CD GLU A 89 6.294 -17.661 7.227 1.00 0.00 C ATOM 662 OE1 GLU A 89 7.488 -17.643 6.977 1.00 0.00 O ATOM 663 OE2 GLU A 89 5.803 -18.260 8.170 1.00 0.00 O ATOM 0 H GLU A 89 4.454 -15.967 2.068 1.00 0.00 H new ATOM 0 HA GLU A 89 3.826 -17.828 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.033 -18.228 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.528 -16.564 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.444 -15.817 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.320 -17.161 6.503 1.00 0.00 H new ATOM 664 N ASP A 90 3.834 -14.609 3.759 1.00 0.00 N ATOM 665 CA ASP A 90 3.107 -13.389 4.200 1.00 0.00 C ATOM 666 C ASP A 90 2.587 -12.639 2.979 1.00 0.00 C ATOM 667 O ASP A 90 2.756 -11.441 2.859 1.00 0.00 O ATOM 668 CB ASP A 90 4.054 -12.483 4.989 1.00 0.00 C ATOM 669 CG ASP A 90 4.365 -13.122 6.344 1.00 0.00 C ATOM 670 OD1 ASP A 90 3.445 -13.271 7.132 1.00 0.00 O ATOM 671 OD2 ASP A 90 5.518 -13.454 6.570 1.00 0.00 O ATOM 0 H ASP A 90 4.409 -14.496 2.924 1.00 0.00 H new ATOM 0 HA ASP A 90 2.270 -13.677 4.835 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.976 -12.328 4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.600 -11.503 5.133 1.00 0.00 H new ATOM 672 N THR A 91 1.957 -13.332 2.071 1.00 0.00 N ATOM 673 CA THR A 91 1.422 -12.651 0.859 1.00 0.00 C ATOM 674 C THR A 91 0.727 -11.361 1.295 1.00 0.00 C ATOM 675 O THR A 91 0.498 -11.145 2.468 1.00 0.00 O ATOM 676 CB THR A 91 0.444 -13.580 0.135 1.00 0.00 C ATOM 677 OG1 THR A 91 -0.194 -12.870 -0.916 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.613 -14.107 1.103 1.00 0.00 C ATOM 0 H THR A 91 1.790 -14.337 2.116 1.00 0.00 H new ATOM 0 HA THR A 91 2.231 -12.408 0.170 1.00 0.00 H new ATOM 0 HB THR A 91 1.001 -14.424 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.483 -12.430 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.299 -14.765 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.127 -14.662 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.169 -13.270 1.526 1.00 0.00 H new ATOM 679 N ALA A 92 0.414 -10.480 0.385 1.00 0.00 N ATOM 680 CA ALA A 92 -0.229 -9.201 0.822 1.00 0.00 C ATOM 681 C ALA A 92 -1.395 -8.816 -0.090 1.00 0.00 C ATOM 682 O ALA A 92 -1.732 -9.512 -1.027 1.00 0.00 O ATOM 683 CB ALA A 92 0.818 -8.086 0.795 1.00 0.00 C ATOM 0 H ALA A 92 0.569 -10.582 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.620 -9.341 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.360 -7.149 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.635 -8.338 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.206 -7.976 -0.218 1.00 0.00 H new ATOM 684 N VAL A 93 -1.994 -7.683 0.181 1.00 0.00 N ATOM 685 CA VAL A 93 -3.126 -7.201 -0.662 1.00 0.00 C ATOM 686 C VAL A 93 -2.835 -5.738 -1.025 1.00 0.00 C ATOM 687 O VAL A 93 -2.109 -5.052 -0.334 1.00 0.00 O ATOM 688 CB VAL A 93 -4.468 -7.323 0.079 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.549 -7.774 -0.903 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.368 -8.355 1.209 1.00 0.00 C ATOM 0 H VAL A 93 -1.744 -7.069 0.956 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.210 -7.812 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.720 -6.351 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.502 -7.861 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.641 -7.041 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.277 -8.741 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.327 -8.427 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.105 -9.327 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.600 -8.045 1.918 1.00 0.00 H new ATOM 691 N TYR A 94 -3.331 -5.267 -2.134 1.00 0.00 N ATOM 692 CA TYR A 94 -3.009 -3.867 -2.553 1.00 0.00 C ATOM 693 C TYR A 94 -4.269 -3.188 -3.106 1.00 0.00 C ATOM 694 O TYR A 94 -4.750 -3.534 -4.165 1.00 0.00 O ATOM 695 CB TYR A 94 -1.947 -3.903 -3.676 1.00 0.00 C ATOM 696 CG TYR A 94 -0.685 -4.617 -3.231 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.726 -5.938 -2.777 1.00 0.00 C ATOM 698 CD2 TYR A 94 0.530 -3.942 -3.266 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.443 -6.574 -2.356 1.00 0.00 C ATOM 700 CE2 TYR A 94 1.704 -4.573 -2.840 1.00 0.00 C ATOM 701 CZ TYR A 94 1.661 -5.889 -2.382 1.00 0.00 C ATOM 702 OH TYR A 94 2.818 -6.512 -1.961 1.00 0.00 O ATOM 0 H TYR A 94 -3.942 -5.783 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.635 -3.315 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.360 -4.405 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.702 -2.885 -3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.666 -6.469 -2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.568 -2.924 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.406 -7.596 -2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.643 -4.041 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 94 3.503 -6.436 -2.658 1.00 0.00 H new ATOM 703 N TYR A 95 -4.802 -2.216 -2.420 1.00 0.00 N ATOM 704 CA TYR A 95 -6.012 -1.534 -2.950 1.00 0.00 C ATOM 705 C TYR A 95 -5.632 -0.141 -3.441 1.00 0.00 C ATOM 706 O TYR A 95 -5.322 0.735 -2.665 1.00 0.00 O ATOM 707 CB TYR A 95 -7.059 -1.405 -1.857 1.00 0.00 C ATOM 708 CG TYR A 95 -7.585 -2.765 -1.488 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.708 -3.737 -1.006 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.949 -3.048 -1.618 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.192 -5.000 -0.650 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.435 -4.312 -1.264 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.556 -5.288 -0.779 1.00 0.00 C ATOM 714 OH TYR A 95 -9.034 -6.535 -0.428 1.00 0.00 O ATOM 0 H TYR A 95 -4.456 -1.868 -1.526 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.420 -2.122 -3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.625 -0.923 -0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.876 -0.770 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.656 -3.514 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.625 -2.293 -1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.514 -5.753 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.487 -4.534 -1.365 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.002 -6.568 -0.578 1.00 0.00 H new ATOM 715 N CYS A 96 -5.653 0.057 -4.724 1.00 0.00 N ATOM 716 CA CYS A 96 -5.287 1.381 -5.303 1.00 0.00 C ATOM 717 C CYS A 96 -5.799 2.541 -4.428 1.00 0.00 C ATOM 718 O CYS A 96 -6.623 2.359 -3.554 1.00 0.00 O ATOM 719 CB CYS A 96 -5.920 1.497 -6.680 1.00 0.00 C ATOM 720 SG CYS A 96 -4.811 0.855 -7.960 1.00 0.00 S ATOM 0 H CYS A 96 -5.912 -0.652 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.200 1.445 -5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.861 0.947 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.157 2.540 -6.889 1.00 0.00 H new ATOM 721 N ALA A 97 -5.330 3.747 -4.675 1.00 0.00 N ATOM 722 CA ALA A 97 -5.807 4.907 -3.860 1.00 0.00 C ATOM 723 C ALA A 97 -5.153 6.210 -4.348 1.00 0.00 C ATOM 724 O ALA A 97 -3.950 6.309 -4.429 1.00 0.00 O ATOM 725 CB ALA A 97 -5.417 4.672 -2.405 1.00 0.00 C ATOM 0 H ALA A 97 -4.646 3.972 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.889 4.996 -3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.758 5.510 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.881 3.752 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.333 4.586 -2.328 1.00 0.00 H new ATOM 726 N ARG A 98 -5.937 7.213 -4.660 1.00 0.00 N ATOM 727 CA ARG A 98 -5.362 8.511 -5.146 1.00 0.00 C ATOM 728 C ARG A 98 -4.800 9.325 -3.978 1.00 0.00 C ATOM 729 O ARG A 98 -4.878 8.927 -2.833 1.00 0.00 O ATOM 730 CB ARG A 98 -6.464 9.336 -5.811 1.00 0.00 C ATOM 731 CG ARG A 98 -5.992 9.826 -7.181 1.00 0.00 C ATOM 732 CD ARG A 98 -7.155 9.766 -8.172 1.00 0.00 C ATOM 733 NE ARG A 98 -7.422 11.127 -8.714 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.714 11.579 -9.708 1.00 0.00 C ATOM 735 NH1 ARG A 98 -5.570 11.020 -9.998 1.00 0.00 N ATOM 736 NH2 ARG A 98 -7.149 12.587 -10.414 1.00 0.00 N ATOM 0 H ARG A 98 -6.955 7.190 -4.599 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.563 8.287 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.365 8.733 -5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.724 10.186 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.617 10.847 -7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.166 9.209 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.918 9.080 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.047 9.379 -7.679 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.158 11.704 -8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.233 10.231 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.013 11.372 -10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.044 13.020 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.594 12.941 -11.193 1.00 0.00 H new ATOM 737 N LEU A 99 -4.248 10.477 -4.267 1.00 0.00 N ATOM 738 CA LEU A 99 -3.694 11.336 -3.182 1.00 0.00 C ATOM 739 C LEU A 99 -3.228 12.686 -3.749 1.00 0.00 C ATOM 740 O LEU A 99 -2.386 12.766 -4.614 1.00 0.00 O ATOM 741 CB LEU A 99 -2.533 10.615 -2.473 1.00 0.00 C ATOM 742 CG LEU A 99 -1.290 10.503 -3.372 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.689 10.168 -4.814 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.505 11.818 -3.337 1.00 0.00 C ATOM 0 H LEU A 99 -4.158 10.858 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.481 11.526 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.274 11.154 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.855 9.618 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.661 9.697 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.794 10.094 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.222 9.218 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.335 10.954 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.375 11.734 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.138 12.629 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.192 12.028 -2.314 1.00 0.00 H new ATOM 745 N LYS A 100 -3.786 13.761 -3.267 1.00 0.00 N ATOM 746 CA LYS A 100 -3.380 15.107 -3.768 1.00 0.00 C ATOM 747 C LYS A 100 -4.446 16.125 -3.383 1.00 0.00 C ATOM 748 O LYS A 100 -4.145 17.196 -2.896 1.00 0.00 O ATOM 749 CB LYS A 100 -3.218 15.095 -5.295 1.00 0.00 C ATOM 750 CG LYS A 100 -4.398 14.368 -5.946 1.00 0.00 C ATOM 751 CD LYS A 100 -4.086 14.110 -7.423 1.00 0.00 C ATOM 752 CE LYS A 100 -4.774 15.163 -8.295 1.00 0.00 C ATOM 753 NZ LYS A 100 -3.745 16.016 -8.953 1.00 0.00 N ATOM 0 H LYS A 100 -4.508 13.767 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.423 15.374 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.159 16.117 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.284 14.602 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.586 13.425 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.304 14.967 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.009 14.138 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.425 13.113 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.394 14.677 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.436 15.778 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.190 16.579 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.320 16.653 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.005 15.412 -9.365 1.00 0.00 H new ATOM 754 N LYS A 101 -5.691 15.796 -3.594 1.00 0.00 N ATOM 755 CA LYS A 101 -6.784 16.743 -3.242 1.00 0.00 C ATOM 756 C LYS A 101 -8.113 16.134 -3.688 1.00 0.00 C ATOM 757 O LYS A 101 -8.417 15.004 -3.361 1.00 0.00 O ATOM 758 CB LYS A 101 -6.548 18.082 -3.952 1.00 0.00 C ATOM 759 CG LYS A 101 -7.362 19.176 -3.262 1.00 0.00 C ATOM 760 CD LYS A 101 -6.434 20.324 -2.863 1.00 0.00 C ATOM 761 CE LYS A 101 -6.561 20.582 -1.362 1.00 0.00 C ATOM 762 NZ LYS A 101 -7.106 21.950 -1.140 1.00 0.00 N ATOM 0 H LYS A 101 -5.998 14.910 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.804 16.919 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.488 18.335 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.837 18.006 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.142 19.540 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.860 18.773 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.403 20.077 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.691 21.224 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.217 19.839 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.588 20.484 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.193 22.127 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.464 22.652 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.042 22.027 -1.586 1.00 0.00 H new ATOM 763 N TYR A 102 -8.904 16.843 -4.452 1.00 0.00 N ATOM 764 CA TYR A 102 -10.180 16.251 -4.921 1.00 0.00 C ATOM 765 C TYR A 102 -9.877 14.858 -5.469 1.00 0.00 C ATOM 766 O TYR A 102 -10.730 13.994 -5.526 1.00 0.00 O ATOM 767 CB TYR A 102 -10.777 17.131 -6.025 1.00 0.00 C ATOM 768 CG TYR A 102 -10.059 16.883 -7.335 1.00 0.00 C ATOM 769 CD1 TYR A 102 -8.658 16.923 -7.393 1.00 0.00 C ATOM 770 CD2 TYR A 102 -10.798 16.616 -8.494 1.00 0.00 C ATOM 771 CE1 TYR A 102 -8.002 16.696 -8.609 1.00 0.00 C ATOM 772 CE2 TYR A 102 -10.141 16.388 -9.708 1.00 0.00 C ATOM 773 CZ TYR A 102 -8.744 16.429 -9.766 1.00 0.00 C ATOM 774 OH TYR A 102 -8.097 16.207 -10.964 1.00 0.00 O ATOM 0 H TYR A 102 -8.719 17.796 -4.766 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.898 16.185 -4.103 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.840 16.916 -6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -10.692 18.182 -5.748 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.086 17.129 -6.500 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -11.877 16.586 -8.451 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.923 16.727 -8.655 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.713 16.180 -10.601 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.759 16.036 -11.666 1.00 0.00 H new ATOM 775 N ALA A 103 -8.653 14.640 -5.869 1.00 0.00 N ATOM 776 CA ALA A 103 -8.260 13.323 -6.409 1.00 0.00 C ATOM 777 C ALA A 103 -7.830 12.427 -5.258 1.00 0.00 C ATOM 778 O ALA A 103 -6.655 12.220 -5.034 1.00 0.00 O ATOM 779 CB ALA A 103 -7.079 13.516 -7.345 1.00 0.00 C ATOM 0 H ALA A 103 -7.905 15.333 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.096 12.871 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.776 12.551 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.366 14.181 -8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.247 13.955 -6.795 1.00 0.00 H new ATOM 780 N PHE A 104 -8.763 11.896 -4.527 1.00 0.00 N ATOM 781 CA PHE A 104 -8.395 11.012 -3.396 1.00 0.00 C ATOM 782 C PHE A 104 -9.656 10.530 -2.686 1.00 0.00 C ATOM 783 O PHE A 104 -10.340 11.291 -2.033 1.00 0.00 O ATOM 784 CB PHE A 104 -7.507 11.763 -2.412 1.00 0.00 C ATOM 785 CG PHE A 104 -6.798 10.774 -1.509 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.092 9.403 -1.588 1.00 0.00 C ATOM 787 CD2 PHE A 104 -5.839 11.229 -0.598 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.430 8.496 -0.760 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.178 10.319 0.233 1.00 0.00 C ATOM 790 CZ PHE A 104 -5.474 8.953 0.150 1.00 0.00 C ATOM 0 H PHE A 104 -9.764 12.036 -4.664 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.848 10.152 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.777 12.365 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.108 12.449 -1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.832 9.050 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.609 12.282 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.656 7.442 -0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.439 10.670 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.962 8.251 0.791 1.00 0.00 H new ATOM 791 N ASP A 105 -9.952 9.265 -2.821 1.00 0.00 N ATOM 792 CA ASP A 105 -11.163 8.671 -2.180 1.00 0.00 C ATOM 793 C ASP A 105 -11.643 7.515 -3.052 1.00 0.00 C ATOM 794 O ASP A 105 -12.362 6.642 -2.609 1.00 0.00 O ATOM 795 CB ASP A 105 -12.282 9.712 -2.070 1.00 0.00 C ATOM 796 CG ASP A 105 -12.283 10.312 -0.663 1.00 0.00 C ATOM 797 OD1 ASP A 105 -11.454 9.904 0.133 1.00 0.00 O ATOM 798 OD2 ASP A 105 -13.113 11.169 -0.407 1.00 0.00 O ATOM 0 H ASP A 105 -9.393 8.604 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.910 8.326 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.137 10.497 -2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.246 9.249 -2.280 1.00 0.00 H new ATOM 799 N TYR A 106 -11.242 7.507 -4.296 1.00 0.00 N ATOM 800 CA TYR A 106 -11.664 6.411 -5.211 1.00 0.00 C ATOM 801 C TYR A 106 -10.788 5.185 -4.955 1.00 0.00 C ATOM 802 O TYR A 106 -10.305 4.974 -3.863 1.00 0.00 O ATOM 803 CB TYR A 106 -11.508 6.849 -6.676 1.00 0.00 C ATOM 804 CG TYR A 106 -11.554 8.356 -6.777 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.784 9.015 -6.885 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.363 9.090 -6.769 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.823 10.411 -6.982 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.401 10.485 -6.867 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.631 11.146 -6.974 1.00 0.00 C ATOM 810 OH TYR A 106 -11.668 12.522 -7.071 1.00 0.00 O ATOM 0 H TYR A 106 -10.639 8.214 -4.717 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.711 6.172 -5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.564 6.479 -7.075 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.303 6.412 -7.281 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.702 8.447 -6.894 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.415 8.580 -6.687 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.772 10.921 -7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.482 11.052 -6.860 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.278 12.917 -6.263 1.00 0.00 H new ATOM 811 N TRP A 107 -10.581 4.381 -5.961 1.00 0.00 N ATOM 812 CA TRP A 107 -9.741 3.160 -5.800 1.00 0.00 C ATOM 813 C TRP A 107 -10.234 2.340 -4.606 1.00 0.00 C ATOM 814 O TRP A 107 -10.092 2.736 -3.467 1.00 0.00 O ATOM 815 CB TRP A 107 -8.291 3.549 -5.578 1.00 0.00 C ATOM 816 CG TRP A 107 -7.896 4.648 -6.517 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.013 5.963 -6.249 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.318 4.555 -7.857 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.519 6.685 -7.313 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.086 5.864 -8.335 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.972 3.481 -8.695 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.524 6.091 -9.594 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.411 3.711 -9.957 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.185 5.013 -10.405 1.00 0.00 C ATOM 0 H TRP A 107 -10.962 4.519 -6.897 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.818 2.562 -6.708 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.149 3.874 -4.547 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.648 2.682 -5.731 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.428 6.384 -5.345 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.478 7.704 -7.342 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.141 2.468 -8.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.353 7.101 -9.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.151 2.874 -10.589 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.748 5.183 -11.378 1.00 0.00 H new ATOM 825 N GLY A 108 -10.811 1.195 -4.847 1.00 0.00 N ATOM 826 CA GLY A 108 -11.302 0.376 -3.710 1.00 0.00 C ATOM 827 C GLY A 108 -11.691 -1.024 -4.191 1.00 0.00 C ATOM 828 O GLY A 108 -12.518 -1.685 -3.594 1.00 0.00 O ATOM 0 H GLY A 108 -10.962 0.796 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.529 0.303 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.162 0.861 -3.249 1.00 0.00 H new ATOM 829 N GLN A 109 -11.098 -1.492 -5.255 1.00 0.00 N ATOM 830 CA GLN A 109 -11.438 -2.855 -5.751 1.00 0.00 C ATOM 831 C GLN A 109 -10.650 -3.882 -4.938 1.00 0.00 C ATOM 832 O GLN A 109 -11.204 -4.809 -4.382 1.00 0.00 O ATOM 833 CB GLN A 109 -11.069 -2.973 -7.228 1.00 0.00 C ATOM 834 CG GLN A 109 -11.161 -4.438 -7.661 1.00 0.00 C ATOM 835 CD GLN A 109 -12.152 -4.569 -8.819 1.00 0.00 C ATOM 836 OE1 GLN A 109 -13.342 -4.403 -8.638 1.00 0.00 O ATOM 837 NE2 GLN A 109 -11.709 -4.861 -10.011 1.00 0.00 N ATOM 0 H GLN A 109 -10.396 -0.992 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.507 -3.035 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.740 -2.361 -7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.059 -2.597 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -10.179 -4.800 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -11.482 -5.056 -6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.710 -5.000 -10.164 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.361 -4.950 -10.790 1.00 0.00 H new ATOM 838 N GLY A 110 -9.358 -3.713 -4.847 1.00 0.00 N ATOM 839 CA GLY A 110 -8.537 -4.666 -4.048 1.00 0.00 C ATOM 840 C GLY A 110 -7.806 -5.658 -4.958 1.00 0.00 C ATOM 841 O GLY A 110 -8.388 -6.256 -5.840 1.00 0.00 O ATOM 0 H GLY A 110 -8.837 -2.957 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.812 -4.114 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.177 -5.209 -3.353 1.00 0.00 H new ATOM 842 N THR A 111 -6.537 -5.859 -4.718 1.00 0.00 N ATOM 843 CA THR A 111 -5.755 -6.831 -5.525 1.00 0.00 C ATOM 844 C THR A 111 -4.797 -7.528 -4.565 1.00 0.00 C ATOM 845 O THR A 111 -5.125 -7.717 -3.414 1.00 0.00 O ATOM 846 CB THR A 111 -4.973 -6.099 -6.612 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.455 -7.041 -7.541 1.00 0.00 O ATOM 848 CG2 THR A 111 -3.828 -5.337 -5.965 1.00 0.00 C ATOM 0 H THR A 111 -6.006 -5.384 -3.988 1.00 0.00 H new ATOM 0 HA THR A 111 -6.409 -7.552 -6.015 1.00 0.00 H new ATOM 0 HB THR A 111 -5.629 -5.404 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.714 -6.636 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.262 -4.810 -6.733 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.228 -4.617 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.172 -6.037 -5.447 1.00 0.00 H new ATOM 849 N LEU A 112 -3.620 -7.904 -4.987 1.00 0.00 N ATOM 850 CA LEU A 112 -2.715 -8.578 -4.015 1.00 0.00 C ATOM 851 C LEU A 112 -1.400 -9.021 -4.653 1.00 0.00 C ATOM 852 O LEU A 112 -1.059 -8.675 -5.764 1.00 0.00 O ATOM 853 CB LEU A 112 -3.410 -9.830 -3.504 1.00 0.00 C ATOM 854 CG LEU A 112 -3.476 -10.809 -4.666 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.456 -11.928 -4.439 1.00 0.00 C ATOM 856 CD2 LEU A 112 -4.883 -11.398 -4.765 1.00 0.00 C ATOM 0 H LEU A 112 -3.255 -7.779 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.495 -7.864 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.861 -10.261 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.410 -9.595 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.245 -10.290 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.499 -12.633 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.455 -11.501 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.687 -12.448 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.926 -12.099 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.125 -11.920 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.603 -10.596 -4.928 1.00 0.00 H new ATOM 857 N VAL A 113 -0.692 -9.831 -3.918 1.00 0.00 N ATOM 858 CA VAL A 113 0.597 -10.401 -4.380 1.00 0.00 C ATOM 859 C VAL A 113 0.729 -11.772 -3.717 1.00 0.00 C ATOM 860 O VAL A 113 1.098 -11.877 -2.561 1.00 0.00 O ATOM 861 CB VAL A 113 1.737 -9.501 -3.921 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.556 -8.108 -4.524 1.00 0.00 C ATOM 863 CG2 VAL A 113 1.706 -9.414 -2.402 1.00 0.00 C ATOM 0 H VAL A 113 -0.967 -10.130 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 113 0.633 -10.482 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 113 2.694 -9.908 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.370 -7.461 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.563 -8.179 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.605 -7.689 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.517 -8.772 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.752 -8.996 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.827 -10.411 -1.978 1.00 0.00 H new ATOM 864 N THR A 114 0.398 -12.823 -4.416 1.00 0.00 N ATOM 865 CA THR A 114 0.478 -14.172 -3.789 1.00 0.00 C ATOM 866 C THR A 114 1.916 -14.674 -3.827 1.00 0.00 C ATOM 867 O THR A 114 2.380 -15.188 -4.824 1.00 0.00 O ATOM 868 CB THR A 114 -0.426 -15.151 -4.535 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.509 -14.445 -5.125 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.964 -16.188 -3.548 1.00 0.00 C ATOM 0 H THR A 114 0.079 -12.807 -5.385 1.00 0.00 H new ATOM 0 HA THR A 114 0.147 -14.100 -2.753 1.00 0.00 H new ATOM 0 HB THR A 114 0.143 -15.652 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.087 -15.074 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.610 -16.890 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.131 -16.729 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.534 -15.685 -2.767 1.00 0.00 H new ATOM 871 N VAL A 115 2.623 -14.532 -2.742 1.00 0.00 N ATOM 872 CA VAL A 115 4.030 -15.002 -2.714 1.00 0.00 C ATOM 873 C VAL A 115 4.086 -16.457 -3.181 1.00 0.00 C ATOM 874 O VAL A 115 3.415 -17.316 -2.644 1.00 0.00 O ATOM 875 CB VAL A 115 4.574 -14.895 -1.295 1.00 0.00 C ATOM 876 CG1 VAL A 115 4.999 -13.452 -1.021 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.486 -15.308 -0.298 1.00 0.00 C ATOM 0 H VAL A 115 2.286 -14.111 -1.876 1.00 0.00 H new ATOM 0 HA VAL A 115 4.636 -14.385 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 115 5.435 -15.554 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.388 -13.374 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.773 -13.160 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.138 -12.792 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.875 -15.232 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.624 -14.650 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.184 -16.337 -0.494 1.00 0.00 H new