USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1049 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 115 THR OG1 : rot 100:sc= 1.04 USER MOD Set 1.2: A 137 THR OG1 : rot -81:sc= 0.564 USER MOD Set 2.1: A 4 GLN : amide:sc= 0.872 K(o=2.1,f=-1.6!) USER MOD Set 2.2: A 132 SER OG : rot -116:sc= 1.27 USER MOD Set 3.1: A 120 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 130 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 111 ASN : amide:sc= 0.0769 K(o=0.16,f=-2.7!) USER MOD Set 4.2: A 141 THR OG1 : rot -47:sc= 0.0843 USER MOD Set 5.1: A 64 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.09) USER MOD Set 5.2: A 66 TYR OH : rot -111:sc= 1.21 USER MOD Single : A 1 GLU N :NH3+ 179:sc= 0.0592 (180deg=-0.156) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=0.51) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0834 USER MOD Single : A 29 THR OG1 : rot 53:sc= 0.115 USER MOD Single : A 31 GLN : amide:sc= 0.343 K(o=0.34,f=-5.1!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.996 K(o=-1,f=-3.7!) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= -2.06! (180deg=-7.28!) USER MOD Single : A 46 THR OG1 : rot -25:sc= 0.244 USER MOD Single : A 48 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.5!) USER MOD Single : A 51 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.55) USER MOD Single : A 53 LYS NZ :NH3+ -123:sc= 2.41 (180deg=-0.605) USER MOD Single : A 58 SER OG : rot 180:sc= 0.292 USER MOD Single : A 60 ASN : amide:sc= -2.24! C(o=-2.2!,f=-10!) USER MOD Single : A 61 ASN : amide:sc= -0.735 K(o=-0.73,f=-2.7) USER MOD Single : A 68 ASN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 75 SER OG : rot -150:sc= 1.12 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 73:sc= 0.716 USER MOD Single : A 81 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 151:sc= 1.62 (180deg=0.668!) USER MOD Single : A 87 ASN : amide:sc=-0.00166 X(o=-0.0017,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 145:sc= 1.4 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.585 X(o=-0.59,f=-0.75) USER MOD Single : A 104 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.1!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.39 K(o=-2.4,f=-0.62) USER MOD Single : A 107 THR OG1 : rot -80:sc= -1.92! USER MOD Single : A 112 TYR OH : rot 60:sc= -0.169 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.0392 X(o=-0.039,f=-0.055) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 0.205 K(o=0.2,f=-0.58) USER MOD Single : A 134 THR OG1 : rot 132:sc= 1.35 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0738 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -22.113 -0.009 -10.360 1.00 4.07 N ATOM 2 CA GLU A 1 -21.390 0.287 -9.104 1.00 3.34 C ATOM 3 C GLU A 1 -20.126 1.069 -9.399 1.00 2.61 C ATOM 4 O GLU A 1 -19.432 0.807 -10.382 1.00 3.01 O ATOM 5 CB GLU A 1 -21.036 -0.997 -8.329 1.00 4.00 C ATOM 6 CG GLU A 1 -20.206 -2.011 -9.107 1.00 4.80 C ATOM 7 CD GLU A 1 -20.989 -2.678 -10.214 1.00 5.32 C ATOM 8 OE1 GLU A 1 -21.654 -3.695 -9.941 1.00 5.64 O ATOM 9 OE2 GLU A 1 -20.914 -2.209 -11.369 1.00 5.73 O ATOM 0 H1 GLU A 1 -22.969 -0.560 -10.146 1.00 4.07 H new ATOM 0 H2 GLU A 1 -22.382 0.882 -10.824 1.00 4.07 H new ATOM 0 H3 GLU A 1 -21.497 -0.558 -10.994 1.00 4.07 H new ATOM 0 HA GLU A 1 -22.054 0.884 -8.479 1.00 3.34 H new ATOM 0 HB2 GLU A 1 -20.491 -0.720 -7.426 1.00 4.00 H new ATOM 0 HB3 GLU A 1 -21.961 -1.477 -8.008 1.00 4.00 H new ATOM 0 HG2 GLU A 1 -19.336 -1.512 -9.533 1.00 4.80 H new ATOM 0 HG3 GLU A 1 -19.833 -2.772 -8.421 1.00 4.80 H new ATOM 16 N GLU A 2 -19.843 2.043 -8.558 1.00 1.89 N ATOM 17 CA GLU A 2 -18.650 2.847 -8.705 1.00 1.43 C ATOM 18 C GLU A 2 -17.906 2.879 -7.386 1.00 1.13 C ATOM 19 O GLU A 2 -18.507 3.101 -6.339 1.00 1.31 O ATOM 20 CB GLU A 2 -19.005 4.273 -9.129 1.00 1.72 C ATOM 21 CG GLU A 2 -17.808 5.079 -9.613 1.00 1.73 C ATOM 22 CD GLU A 2 -17.428 4.750 -11.044 1.00 2.37 C ATOM 23 OE1 GLU A 2 -16.863 3.660 -11.271 1.00 2.54 O ATOM 24 OE2 GLU A 2 -17.678 5.576 -11.944 1.00 3.08 O ATOM 0 H GLU A 2 -20.428 2.297 -7.762 1.00 1.89 H new ATOM 0 HA GLU A 2 -18.021 2.405 -9.478 1.00 1.43 H new ATOM 0 HB2 GLU A 2 -19.751 4.232 -9.923 1.00 1.72 H new ATOM 0 HB3 GLU A 2 -19.464 4.790 -8.287 1.00 1.72 H new ATOM 0 HG2 GLU A 2 -18.035 6.142 -9.536 1.00 1.73 H new ATOM 0 HG3 GLU A 2 -16.956 4.886 -8.961 1.00 1.73 H new ATOM 31 N CYS A 3 -16.619 2.619 -7.440 1.00 1.08 N ATOM 32 CA CYS A 3 -15.759 2.725 -6.275 1.00 0.96 C ATOM 33 C CYS A 3 -14.323 2.672 -6.753 1.00 0.83 C ATOM 34 O CYS A 3 -13.603 1.699 -6.526 1.00 0.96 O ATOM 35 CB CYS A 3 -16.039 1.602 -5.269 1.00 1.25 C ATOM 36 SG CYS A 3 -15.216 1.806 -3.650 1.00 1.43 S ATOM 0 H CYS A 3 -16.136 2.328 -8.290 1.00 1.08 H new ATOM 0 HA CYS A 3 -15.953 3.665 -5.758 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -17.115 1.536 -5.109 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -15.723 0.654 -5.705 1.00 1.25 H new ATOM 41 N GLN A 4 -13.932 3.711 -7.469 1.00 0.67 N ATOM 42 CA GLN A 4 -12.642 3.730 -8.120 1.00 0.59 C ATOM 43 C GLN A 4 -11.577 4.244 -7.178 1.00 0.54 C ATOM 44 O GLN A 4 -11.589 5.413 -6.787 1.00 0.53 O ATOM 45 CB GLN A 4 -12.678 4.600 -9.376 1.00 0.59 C ATOM 46 CG GLN A 4 -13.739 4.186 -10.382 1.00 1.45 C ATOM 47 CD GLN A 4 -13.718 2.698 -10.674 1.00 1.65 C ATOM 48 OE1 GLN A 4 -14.429 1.918 -10.037 1.00 2.29 O ATOM 49 NE2 GLN A 4 -12.888 2.290 -11.620 1.00 1.92 N ATOM 0 H GLN A 4 -14.492 4.551 -7.612 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.400 2.707 -8.407 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -12.853 5.635 -9.084 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -11.701 4.565 -9.858 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -14.722 4.464 -10.002 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -13.588 4.737 -11.311 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -12.317 2.968 -12.124 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -12.820 1.298 -11.845 1.00 1.92 H new ATOM 58 N VAL A 5 -10.675 3.364 -6.796 1.00 0.56 N ATOM 59 CA VAL A 5 -9.545 3.758 -5.990 1.00 0.57 C ATOM 60 C VAL A 5 -8.472 4.336 -6.897 1.00 0.57 C ATOM 61 O VAL A 5 -7.850 3.614 -7.682 1.00 0.66 O ATOM 62 CB VAL A 5 -8.978 2.564 -5.194 1.00 0.68 C ATOM 63 CG1 VAL A 5 -7.813 2.997 -4.320 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.068 1.923 -4.349 1.00 1.51 C ATOM 0 H VAL A 5 -10.705 2.372 -7.032 1.00 0.56 H new ATOM 0 HA VAL A 5 -9.872 4.508 -5.270 1.00 0.57 H new ATOM 0 HB VAL A 5 -8.610 1.826 -5.906 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -7.432 2.137 -3.770 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.021 3.407 -4.946 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.149 3.758 -3.616 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -9.651 1.083 -3.794 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -10.466 2.658 -3.650 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -10.869 1.568 -4.997 1.00 1.51 H new ATOM 74 N ARG A 6 -8.263 5.638 -6.795 1.00 0.57 N ATOM 75 CA ARG A 6 -7.313 6.311 -7.660 1.00 0.64 C ATOM 76 C ARG A 6 -5.896 6.124 -7.146 1.00 0.58 C ATOM 77 O ARG A 6 -5.411 6.876 -6.300 1.00 0.65 O ATOM 78 CB ARG A 6 -7.657 7.799 -7.812 1.00 0.80 C ATOM 79 CG ARG A 6 -6.706 8.551 -8.733 1.00 1.47 C ATOM 80 CD ARG A 6 -7.303 9.864 -9.228 1.00 1.67 C ATOM 81 NE ARG A 6 -7.702 10.755 -8.138 1.00 1.92 N ATOM 82 CZ ARG A 6 -7.075 11.894 -7.837 1.00 2.75 C ATOM 83 NH1 ARG A 6 -5.975 12.249 -8.486 1.00 3.23 N ATOM 84 NH2 ARG A 6 -7.553 12.682 -6.882 1.00 3.57 N ATOM 0 H ARG A 6 -8.736 6.245 -6.126 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.377 5.858 -8.649 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -8.672 7.892 -8.197 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -7.645 8.269 -6.829 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -5.775 8.754 -8.204 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -6.457 7.922 -9.588 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -6.575 10.373 -9.859 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -8.171 9.650 -9.852 1.00 1.67 H new ATOM 0 HE ARG A 6 -8.509 10.489 -7.574 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -5.601 11.650 -9.222 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -5.502 13.121 -8.249 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -8.399 12.417 -6.378 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -7.074 13.553 -6.652 1.00 3.57 H new ATOM 98 N VAL A 7 -5.266 5.073 -7.638 1.00 0.58 N ATOM 99 CA VAL A 7 -3.879 4.779 -7.333 1.00 0.57 C ATOM 100 C VAL A 7 -3.006 5.126 -8.528 1.00 0.68 C ATOM 101 O VAL A 7 -3.388 4.888 -9.673 1.00 0.85 O ATOM 102 CB VAL A 7 -3.687 3.296 -6.964 1.00 0.64 C ATOM 103 CG1 VAL A 7 -4.159 3.024 -5.544 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.431 2.413 -7.943 1.00 1.26 C ATOM 0 H VAL A 7 -5.705 4.397 -8.263 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.587 5.383 -6.474 1.00 0.57 H new ATOM 0 HB VAL A 7 -2.623 3.066 -7.018 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -4.013 1.970 -5.308 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -3.586 3.635 -4.847 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -5.217 3.272 -5.459 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.287 1.367 -7.671 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -5.494 2.653 -7.914 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -4.048 2.582 -8.949 1.00 1.26 H new ATOM 114 N GLY A 8 -1.843 5.688 -8.272 1.00 0.77 N ATOM 115 CA GLY A 8 -1.004 6.145 -9.355 1.00 0.96 C ATOM 116 C GLY A 8 0.452 5.806 -9.147 1.00 0.75 C ATOM 117 O GLY A 8 0.851 5.401 -8.056 1.00 0.86 O ATOM 0 H GLY A 8 -1.463 5.837 -7.337 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.347 5.698 -10.288 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.110 7.225 -9.460 1.00 0.96 H new ATOM 121 N ASP A 9 1.236 5.956 -10.203 1.00 0.57 N ATOM 122 CA ASP A 9 2.675 5.751 -10.134 1.00 0.45 C ATOM 123 C ASP A 9 3.355 7.005 -9.626 1.00 0.50 C ATOM 124 O ASP A 9 3.080 8.108 -10.101 1.00 0.73 O ATOM 125 CB ASP A 9 3.243 5.386 -11.509 1.00 0.56 C ATOM 126 CG ASP A 9 3.027 3.933 -11.873 1.00 1.37 C ATOM 127 OD1 ASP A 9 1.862 3.488 -11.885 1.00 1.77 O ATOM 128 OD2 ASP A 9 4.017 3.223 -12.141 1.00 2.18 O ATOM 0 H ASP A 9 0.896 6.222 -11.127 1.00 0.57 H new ATOM 0 HA ASP A 9 2.866 4.927 -9.447 1.00 0.45 H new ATOM 0 HB2 ASP A 9 2.779 6.017 -12.267 1.00 0.56 H new ATOM 0 HB3 ASP A 9 4.311 5.603 -11.524 1.00 0.56 H new ATOM 133 N LEU A 10 4.229 6.838 -8.655 1.00 0.52 N ATOM 134 CA LEU A 10 4.978 7.951 -8.102 1.00 0.65 C ATOM 135 C LEU A 10 6.365 7.489 -7.693 1.00 0.49 C ATOM 136 O LEU A 10 6.529 6.404 -7.128 1.00 0.57 O ATOM 137 CB LEU A 10 4.251 8.574 -6.900 1.00 0.95 C ATOM 138 CG LEU A 10 3.985 7.634 -5.721 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.918 8.421 -4.422 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.689 6.866 -5.927 1.00 1.41 C ATOM 0 H LEU A 10 4.440 5.936 -8.229 1.00 0.52 H new ATOM 0 HA LEU A 10 5.065 8.717 -8.873 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.840 9.418 -6.541 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.297 8.974 -7.244 1.00 0.95 H new ATOM 0 HG LEU A 10 4.807 6.921 -5.663 1.00 0.76 H new ATOM 0 HD11 LEU A 10 3.728 7.739 -3.593 1.00 1.05 H new ATOM 0 HD12 LEU A 10 4.865 8.936 -4.259 1.00 1.05 H new ATOM 0 HD13 LEU A 10 3.113 9.153 -4.481 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.519 6.204 -5.078 1.00 1.41 H new ATOM 0 HD22 LEU A 10 1.859 7.568 -6.011 1.00 1.41 H new ATOM 0 HD23 LEU A 10 2.758 6.274 -6.840 1.00 1.41 H new ATOM 152 N THR A 11 7.358 8.302 -7.994 1.00 0.49 N ATOM 153 CA THR A 11 8.730 7.978 -7.659 1.00 0.47 C ATOM 154 C THR A 11 9.185 8.779 -6.442 1.00 0.53 C ATOM 155 O THR A 11 9.127 10.012 -6.433 1.00 0.66 O ATOM 156 CB THR A 11 9.669 8.251 -8.852 1.00 0.63 C ATOM 157 OG1 THR A 11 9.169 7.582 -10.022 1.00 1.03 O ATOM 158 CG2 THR A 11 11.082 7.766 -8.557 1.00 0.99 C ATOM 0 H THR A 11 7.239 9.195 -8.472 1.00 0.49 H new ATOM 0 HA THR A 11 8.776 6.915 -7.421 1.00 0.47 H new ATOM 0 HB THR A 11 9.701 9.327 -9.024 1.00 0.63 H new ATOM 0 HG1 THR A 11 9.766 7.758 -10.779 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.723 7.971 -9.414 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.470 8.286 -7.681 1.00 0.99 H new ATOM 0 HG23 THR A 11 11.066 6.693 -8.364 1.00 0.99 H new ATOM 166 N VAL A 12 9.610 8.070 -5.409 1.00 0.52 N ATOM 167 CA VAL A 12 10.085 8.694 -4.187 1.00 0.63 C ATOM 168 C VAL A 12 11.539 8.317 -3.945 1.00 0.48 C ATOM 169 O VAL A 12 11.850 7.157 -3.674 1.00 0.57 O ATOM 170 CB VAL A 12 9.242 8.271 -2.963 1.00 0.82 C ATOM 171 CG1 VAL A 12 9.698 9.005 -1.709 1.00 1.45 C ATOM 172 CG2 VAL A 12 7.758 8.508 -3.219 1.00 1.45 C ATOM 0 H VAL A 12 9.635 7.050 -5.394 1.00 0.52 H new ATOM 0 HA VAL A 12 9.991 9.773 -4.311 1.00 0.63 H new ATOM 0 HB VAL A 12 9.393 7.203 -2.803 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.089 8.690 -0.861 1.00 1.45 H new ATOM 0 HG12 VAL A 12 10.744 8.772 -1.511 1.00 1.45 H new ATOM 0 HG13 VAL A 12 9.587 10.079 -1.856 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.185 8.203 -2.344 1.00 1.45 H new ATOM 0 HG22 VAL A 12 7.587 9.567 -3.414 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.440 7.924 -4.083 1.00 1.45 H new ATOM 182 N ALA A 13 12.426 9.288 -4.068 1.00 0.44 N ATOM 183 CA ALA A 13 13.843 9.053 -3.847 1.00 0.43 C ATOM 184 C ALA A 13 14.212 9.350 -2.400 1.00 0.45 C ATOM 185 O ALA A 13 14.348 10.514 -2.015 1.00 0.57 O ATOM 186 CB ALA A 13 14.681 9.896 -4.798 1.00 0.59 C ATOM 0 H ALA A 13 12.191 10.248 -4.320 1.00 0.44 H new ATOM 0 HA ALA A 13 14.053 8.002 -4.047 1.00 0.43 H new ATOM 0 HB1 ALA A 13 15.739 9.706 -4.617 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.436 9.635 -5.828 1.00 0.59 H new ATOM 0 HB3 ALA A 13 14.468 10.952 -4.632 1.00 0.59 H new ATOM 192 N LYS A 14 14.352 8.302 -1.593 1.00 0.43 N ATOM 193 CA LYS A 14 14.687 8.467 -0.184 1.00 0.50 C ATOM 194 C LYS A 14 15.183 7.154 0.405 1.00 0.41 C ATOM 195 O LYS A 14 15.016 6.091 -0.189 1.00 0.41 O ATOM 196 CB LYS A 14 13.464 8.956 0.607 1.00 0.67 C ATOM 197 CG LYS A 14 13.800 9.850 1.791 1.00 1.47 C ATOM 198 CD LYS A 14 14.182 11.257 1.351 1.00 2.23 C ATOM 199 CE LYS A 14 13.008 11.973 0.695 1.00 2.52 C ATOM 200 NZ LYS A 14 13.325 13.391 0.379 1.00 3.42 N ATOM 0 H LYS A 14 14.239 7.333 -1.890 1.00 0.43 H new ATOM 0 HA LYS A 14 15.480 9.212 -0.111 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.803 9.500 -0.068 1.00 0.67 H new ATOM 0 HB3 LYS A 14 12.909 8.090 0.967 1.00 0.67 H new ATOM 0 HG2 LYS A 14 12.943 9.900 2.463 1.00 1.47 H new ATOM 0 HG3 LYS A 14 14.622 9.411 2.356 1.00 1.47 H new ATOM 0 HD2 LYS A 14 14.523 11.829 2.214 1.00 2.23 H new ATOM 0 HD3 LYS A 14 15.016 11.207 0.651 1.00 2.23 H new ATOM 0 HE2 LYS A 14 12.731 11.451 -0.221 1.00 2.52 H new ATOM 0 HE3 LYS A 14 12.144 11.934 1.358 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 12.499 13.840 -0.066 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 13.564 13.897 1.256 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 14.133 13.429 -0.274 1.00 3.42 H new ATOM 214 N THR A 15 15.793 7.237 1.575 1.00 0.46 N ATOM 215 CA THR A 15 16.298 6.062 2.262 1.00 0.44 C ATOM 216 C THR A 15 15.226 5.474 3.178 1.00 0.44 C ATOM 217 O THR A 15 14.287 6.167 3.564 1.00 0.50 O ATOM 218 CB THR A 15 17.537 6.412 3.114 1.00 0.49 C ATOM 219 OG1 THR A 15 17.190 7.387 4.104 1.00 0.63 O ATOM 220 CG2 THR A 15 18.669 6.946 2.249 1.00 0.52 C ATOM 0 H THR A 15 15.951 8.114 2.072 1.00 0.46 H new ATOM 0 HA THR A 15 16.575 5.332 1.502 1.00 0.44 H new ATOM 0 HB THR A 15 17.878 5.498 3.601 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.980 7.603 4.642 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.527 7.183 2.878 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.954 6.191 1.516 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.338 7.847 1.732 1.00 0.52 H new ATOM 228 N ARG A 16 15.362 4.199 3.536 1.00 0.40 N ATOM 229 CA ARG A 16 14.476 3.613 4.541 1.00 0.43 C ATOM 230 C ARG A 16 14.931 4.046 5.932 1.00 0.46 C ATOM 231 O ARG A 16 14.359 3.637 6.934 1.00 0.55 O ATOM 232 CB ARG A 16 14.423 2.078 4.474 1.00 0.50 C ATOM 233 CG ARG A 16 14.165 1.499 3.089 1.00 0.57 C ATOM 234 CD ARG A 16 15.476 1.274 2.353 1.00 0.68 C ATOM 235 NE ARG A 16 15.631 -0.110 1.921 1.00 1.22 N ATOM 236 CZ ARG A 16 16.006 -1.106 2.740 1.00 2.43 C ATOM 237 NH1 ARG A 16 16.180 -0.880 4.039 1.00 3.01 N ATOM 238 NH2 ARG A 16 16.193 -2.321 2.267 1.00 3.14 N ATOM 0 H ARG A 16 16.062 3.562 3.155 1.00 0.40 H new ATOM 0 HA ARG A 16 13.470 3.976 4.332 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.367 1.681 4.846 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.642 1.727 5.148 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.624 0.557 3.177 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.532 2.177 2.517 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.522 1.932 1.485 1.00 0.68 H new ATOM 0 HD3 ARG A 16 16.308 1.546 3.003 1.00 0.68 H new ATOM 0 HE ARG A 16 15.444 -0.334 0.944 1.00 1.22 H new ATOM 0 HH11 ARG A 16 16.029 0.054 4.419 1.00 3.01 H new ATOM 0 HH12 ARG A 16 16.465 -1.641 4.655 1.00 3.01 H new ATOM 0 HH21 ARG A 16 16.053 -2.509 1.274 1.00 3.14 H new ATOM 0 HH22 ARG A 16 16.478 -3.074 2.893 1.00 3.14 H new ATOM 252 N GLY A 17 16.002 4.841 5.978 1.00 0.47 N ATOM 253 CA GLY A 17 16.425 5.457 7.221 1.00 0.58 C ATOM 254 C GLY A 17 15.532 6.628 7.565 1.00 0.61 C ATOM 255 O GLY A 17 15.475 7.073 8.711 1.00 0.75 O ATOM 0 H GLY A 17 16.583 5.068 5.171 1.00 0.47 H new ATOM 0 HA2 GLY A 17 16.396 4.722 8.026 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.458 5.794 7.133 1.00 0.58 H new ATOM 259 N GLN A 18 14.859 7.142 6.543 1.00 0.58 N ATOM 260 CA GLN A 18 13.776 8.094 6.723 1.00 0.70 C ATOM 261 C GLN A 18 12.621 7.396 7.423 1.00 0.64 C ATOM 262 O GLN A 18 12.083 7.882 8.418 1.00 0.72 O ATOM 263 CB GLN A 18 13.331 8.633 5.358 1.00 0.86 C ATOM 264 CG GLN A 18 11.965 9.312 5.351 1.00 1.02 C ATOM 265 CD GLN A 18 11.908 10.579 6.184 1.00 1.49 C ATOM 266 OE1 GLN A 18 11.582 10.544 7.370 1.00 2.00 O ATOM 267 NE2 GLN A 18 12.215 11.708 5.568 1.00 2.17 N ATOM 0 H GLN A 18 15.050 6.910 5.568 1.00 0.58 H new ATOM 0 HA GLN A 18 14.111 8.933 7.332 1.00 0.70 H new ATOM 0 HB2 GLN A 18 14.077 9.345 5.004 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.314 7.808 4.646 1.00 0.86 H new ATOM 0 HG2 GLN A 18 11.694 9.552 4.323 1.00 1.02 H new ATOM 0 HG3 GLN A 18 11.218 8.610 5.722 1.00 1.02 H new ATOM 0 HE21 GLN A 18 12.481 11.696 4.583 1.00 2.17 H new ATOM 0 HE22 GLN A 18 12.186 12.591 6.078 1.00 2.17 H new ATOM 276 N LEU A 19 12.278 6.229 6.903 1.00 0.60 N ATOM 277 CA LEU A 19 11.187 5.443 7.440 1.00 0.62 C ATOM 278 C LEU A 19 11.592 4.816 8.771 1.00 0.78 C ATOM 279 O LEU A 19 12.190 3.744 8.813 1.00 1.61 O ATOM 280 CB LEU A 19 10.780 4.348 6.451 1.00 0.62 C ATOM 281 CG LEU A 19 10.762 4.757 4.979 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.527 3.545 4.090 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.691 5.802 4.738 1.00 0.89 C ATOM 0 H LEU A 19 12.746 5.805 6.102 1.00 0.60 H new ATOM 0 HA LEU A 19 10.335 6.103 7.604 1.00 0.62 H new ATOM 0 HB2 LEU A 19 11.464 3.507 6.567 1.00 0.62 H new ATOM 0 HB3 LEU A 19 9.786 3.991 6.722 1.00 0.62 H new ATOM 0 HG LEU A 19 11.732 5.185 4.728 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.517 3.856 3.045 1.00 0.92 H new ATOM 0 HD12 LEU A 19 11.326 2.820 4.245 1.00 0.92 H new ATOM 0 HD13 LEU A 19 9.569 3.089 4.342 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.689 6.085 3.685 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.717 5.393 5.006 1.00 0.89 H new ATOM 0 HD23 LEU A 19 9.896 6.681 5.349 1.00 0.89 H new ATOM 295 N THR A 20 11.290 5.507 9.849 1.00 0.68 N ATOM 296 CA THR A 20 11.555 5.011 11.179 1.00 0.69 C ATOM 297 C THR A 20 10.296 4.361 11.734 1.00 0.66 C ATOM 298 O THR A 20 9.647 4.892 12.637 1.00 0.73 O ATOM 299 CB THR A 20 12.034 6.141 12.103 1.00 0.80 C ATOM 300 OG1 THR A 20 11.589 7.403 11.583 1.00 1.51 O ATOM 301 CG2 THR A 20 13.553 6.137 12.221 1.00 1.65 C ATOM 0 H THR A 20 10.854 6.429 9.826 1.00 0.68 H new ATOM 0 HA THR A 20 12.351 4.268 11.128 1.00 0.69 H new ATOM 0 HB THR A 20 11.613 5.983 13.096 1.00 0.80 H new ATOM 0 HG1 THR A 20 11.892 8.125 12.172 1.00 1.51 H new ATOM 0 HG21 THR A 20 13.869 6.946 12.880 1.00 1.65 H new ATOM 0 HG22 THR A 20 13.883 5.183 12.633 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.995 6.279 11.235 1.00 1.65 H new ATOM 309 N ASP A 21 9.950 3.220 11.137 1.00 0.61 N ATOM 310 CA ASP A 21 8.691 2.527 11.401 1.00 0.61 C ATOM 311 C ASP A 21 7.519 3.396 10.962 1.00 0.58 C ATOM 312 O ASP A 21 7.115 3.361 9.800 1.00 0.73 O ATOM 313 CB ASP A 21 8.551 2.123 12.874 1.00 0.69 C ATOM 314 CG ASP A 21 7.259 1.378 13.144 1.00 1.18 C ATOM 315 OD1 ASP A 21 7.106 0.243 12.646 1.00 1.38 O ATOM 316 OD2 ASP A 21 6.393 1.923 13.856 1.00 1.83 O ATOM 0 H ASP A 21 10.540 2.748 10.452 1.00 0.61 H new ATOM 0 HA ASP A 21 8.690 1.604 10.821 1.00 0.61 H new ATOM 0 HB2 ASP A 21 9.396 1.496 13.159 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.591 3.015 13.499 1.00 0.69 H new ATOM 321 N ALA A 22 7.015 4.219 11.864 1.00 0.65 N ATOM 322 CA ALA A 22 5.914 5.104 11.539 1.00 0.68 C ATOM 323 C ALA A 22 6.430 6.426 10.988 1.00 0.62 C ATOM 324 O ALA A 22 6.252 7.487 11.593 1.00 0.72 O ATOM 325 CB ALA A 22 5.026 5.330 12.750 1.00 0.82 C ATOM 0 H ALA A 22 7.350 4.292 12.825 1.00 0.65 H new ATOM 0 HA ALA A 22 5.312 4.627 10.766 1.00 0.68 H new ATOM 0 HB1 ALA A 22 4.207 5.997 12.481 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.621 4.376 13.087 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.612 5.779 13.552 1.00 0.82 H new ATOM 331 N ALA A 23 7.091 6.346 9.845 1.00 0.59 N ATOM 332 CA ALA A 23 7.569 7.523 9.140 1.00 0.59 C ATOM 333 C ALA A 23 7.374 7.342 7.646 1.00 0.64 C ATOM 334 O ALA A 23 7.929 6.427 7.048 1.00 0.79 O ATOM 335 CB ALA A 23 9.028 7.790 9.466 1.00 0.71 C ATOM 0 H ALA A 23 7.311 5.465 9.381 1.00 0.59 H new ATOM 0 HA ALA A 23 6.991 8.388 9.467 1.00 0.59 H new ATOM 0 HB1 ALA A 23 9.365 8.676 8.927 1.00 0.71 H new ATOM 0 HB2 ALA A 23 9.137 7.954 10.538 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.631 6.932 9.167 1.00 0.71 H new ATOM 341 N PRO A 24 6.541 8.194 7.046 1.00 0.62 N ATOM 342 CA PRO A 24 6.195 8.118 5.636 1.00 0.72 C ATOM 343 C PRO A 24 7.168 8.868 4.730 1.00 0.78 C ATOM 344 O PRO A 24 7.792 9.852 5.132 1.00 1.12 O ATOM 345 CB PRO A 24 4.821 8.780 5.604 1.00 0.79 C ATOM 346 CG PRO A 24 4.872 9.807 6.686 1.00 0.75 C ATOM 347 CD PRO A 24 5.838 9.291 7.723 1.00 0.63 C ATOM 0 HA PRO A 24 6.221 7.094 5.264 1.00 0.72 H new ATOM 0 HB2 PRO A 24 4.623 9.236 4.634 1.00 0.79 H new ATOM 0 HB3 PRO A 24 4.027 8.055 5.783 1.00 0.79 H new ATOM 0 HG2 PRO A 24 5.202 10.768 6.293 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.884 9.963 7.120 1.00 0.75 H new ATOM 0 HD2 PRO A 24 6.530 10.069 8.045 1.00 0.63 H new ATOM 0 HD3 PRO A 24 5.316 8.940 8.614 1.00 0.63 H new ATOM 355 N ILE A 25 7.291 8.381 3.507 1.00 0.58 N ATOM 356 CA ILE A 25 8.103 9.036 2.488 1.00 0.64 C ATOM 357 C ILE A 25 7.232 9.794 1.496 1.00 0.59 C ATOM 358 O ILE A 25 7.318 11.016 1.386 1.00 0.95 O ATOM 359 CB ILE A 25 8.963 8.021 1.712 1.00 0.92 C ATOM 360 CG1 ILE A 25 8.290 6.646 1.736 1.00 1.73 C ATOM 361 CG2 ILE A 25 10.371 7.962 2.279 1.00 1.37 C ATOM 362 CD1 ILE A 25 8.980 5.609 0.876 1.00 2.58 C ATOM 0 H ILE A 25 6.835 7.525 3.191 1.00 0.58 H new ATOM 0 HA ILE A 25 8.756 9.735 3.011 1.00 0.64 H new ATOM 0 HB ILE A 25 9.046 8.344 0.674 1.00 0.92 H new ATOM 0 HG12 ILE A 25 8.257 6.287 2.765 1.00 1.73 H new ATOM 0 HG13 ILE A 25 7.258 6.752 1.402 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.960 7.239 1.715 1.00 1.37 H new ATOM 0 HG22 ILE A 25 10.835 8.945 2.204 1.00 1.37 H new ATOM 0 HG23 ILE A 25 10.329 7.660 3.325 1.00 1.37 H new ATOM 0 HD11 ILE A 25 8.444 4.663 0.946 1.00 2.58 H new ATOM 0 HD12 ILE A 25 8.990 5.944 -0.161 1.00 2.58 H new ATOM 0 HD13 ILE A 25 10.004 5.472 1.223 1.00 2.58 H new ATOM 374 N GLY A 26 6.389 9.066 0.779 1.00 0.62 N ATOM 375 CA GLY A 26 5.564 9.684 -0.233 1.00 0.74 C ATOM 376 C GLY A 26 4.097 9.348 -0.074 1.00 0.56 C ATOM 377 O GLY A 26 3.642 8.326 -0.582 1.00 0.65 O ATOM 0 H GLY A 26 6.263 8.059 0.881 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.692 10.766 -0.190 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.902 9.362 -1.218 1.00 0.74 H new ATOM 381 N PRO A 27 3.347 10.172 0.673 1.00 0.48 N ATOM 382 CA PRO A 27 1.892 10.043 0.780 1.00 0.44 C ATOM 383 C PRO A 27 1.218 10.055 -0.590 1.00 0.48 C ATOM 384 O PRO A 27 1.298 11.039 -1.327 1.00 0.61 O ATOM 385 CB PRO A 27 1.475 11.274 1.592 1.00 0.51 C ATOM 386 CG PRO A 27 2.695 11.674 2.344 1.00 0.66 C ATOM 387 CD PRO A 27 3.869 11.279 1.489 1.00 0.67 C ATOM 0 HA PRO A 27 1.599 9.100 1.242 1.00 0.44 H new ATOM 0 HB2 PRO A 27 1.132 12.078 0.941 1.00 0.51 H new ATOM 0 HB3 PRO A 27 0.654 11.040 2.269 1.00 0.51 H new ATOM 0 HG2 PRO A 27 2.698 12.747 2.537 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.735 11.176 3.313 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.210 12.108 0.869 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.718 10.964 2.095 1.00 0.67 H new ATOM 395 N VAL A 28 0.565 8.955 -0.924 1.00 0.45 N ATOM 396 CA VAL A 28 -0.102 8.820 -2.209 1.00 0.54 C ATOM 397 C VAL A 28 -1.483 9.452 -2.142 1.00 0.57 C ATOM 398 O VAL A 28 -2.223 9.231 -1.179 1.00 0.58 O ATOM 399 CB VAL A 28 -0.248 7.338 -2.621 1.00 0.65 C ATOM 400 CG1 VAL A 28 -0.834 7.219 -4.022 1.00 1.18 C ATOM 401 CG2 VAL A 28 1.091 6.623 -2.538 1.00 1.07 C ATOM 0 H VAL A 28 0.482 8.138 -0.320 1.00 0.45 H new ATOM 0 HA VAL A 28 0.511 9.328 -2.954 1.00 0.54 H new ATOM 0 HB VAL A 28 -0.936 6.860 -1.924 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -0.927 6.166 -4.289 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -1.818 7.688 -4.046 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -0.177 7.718 -4.735 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.966 5.581 -2.832 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.803 7.106 -3.207 1.00 1.07 H new ATOM 0 HG23 VAL A 28 1.465 6.669 -1.515 1.00 1.07 H new ATOM 411 N THR A 29 -1.819 10.252 -3.143 1.00 0.61 N ATOM 412 CA THR A 29 -3.138 10.848 -3.221 1.00 0.67 C ATOM 413 C THR A 29 -4.162 9.813 -3.676 1.00 0.65 C ATOM 414 O THR A 29 -4.468 9.694 -4.865 1.00 0.75 O ATOM 415 CB THR A 29 -3.146 12.059 -4.172 1.00 0.79 C ATOM 416 OG1 THR A 29 -2.452 11.731 -5.382 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.490 13.265 -3.516 1.00 1.37 C ATOM 0 H THR A 29 -1.195 10.501 -3.910 1.00 0.61 H new ATOM 0 HA THR A 29 -3.408 11.198 -2.225 1.00 0.67 H new ATOM 0 HB THR A 29 -4.182 12.310 -4.402 1.00 0.79 H new ATOM 0 HG1 THR A 29 -2.826 10.908 -5.761 1.00 1.64 H new ATOM 0 HG21 THR A 29 -2.507 14.109 -4.206 1.00 1.37 H new ATOM 0 HG22 THR A 29 -3.035 13.527 -2.609 1.00 1.37 H new ATOM 0 HG23 THR A 29 -1.458 13.024 -3.262 1.00 1.37 H new ATOM 425 N VAL A 30 -4.655 9.037 -2.725 1.00 0.62 N ATOM 426 CA VAL A 30 -5.617 7.992 -3.018 1.00 0.61 C ATOM 427 C VAL A 30 -7.027 8.507 -2.826 1.00 0.62 C ATOM 428 O VAL A 30 -7.434 8.827 -1.714 1.00 0.87 O ATOM 429 CB VAL A 30 -5.423 6.768 -2.106 1.00 0.77 C ATOM 430 CG1 VAL A 30 -6.377 5.649 -2.490 1.00 0.76 C ATOM 431 CG2 VAL A 30 -3.980 6.285 -2.148 1.00 1.01 C ATOM 0 H VAL A 30 -4.402 9.113 -1.740 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.457 7.694 -4.054 1.00 0.61 H new ATOM 0 HB VAL A 30 -5.650 7.070 -1.084 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -6.220 4.795 -1.831 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -7.405 5.998 -2.393 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -6.191 5.350 -3.522 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -3.867 5.419 -1.496 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -3.719 6.007 -3.169 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -3.319 7.083 -1.809 1.00 1.01 H new ATOM 441 N GLN A 31 -7.767 8.563 -3.905 1.00 0.49 N ATOM 442 CA GLN A 31 -9.139 9.023 -3.863 1.00 0.52 C ATOM 443 C GLN A 31 -10.081 7.875 -4.176 1.00 0.49 C ATOM 444 O GLN A 31 -9.834 7.100 -5.094 1.00 0.54 O ATOM 445 CB GLN A 31 -9.352 10.159 -4.861 1.00 0.62 C ATOM 446 CG GLN A 31 -10.765 10.717 -4.855 1.00 1.15 C ATOM 447 CD GLN A 31 -10.960 11.816 -5.876 1.00 1.59 C ATOM 448 OE1 GLN A 31 -10.313 11.827 -6.924 1.00 2.48 O ATOM 449 NE2 GLN A 31 -11.850 12.744 -5.577 1.00 1.86 N ATOM 0 H GLN A 31 -7.441 8.294 -4.833 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.350 9.395 -2.861 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.652 10.964 -4.638 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -9.116 9.800 -5.863 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -11.471 9.911 -5.055 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -10.995 11.103 -3.862 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -12.363 12.694 -4.697 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -12.025 13.511 -6.226 1.00 1.86 H new ATOM 458 N ALA A 32 -11.145 7.762 -3.400 1.00 0.53 N ATOM 459 CA ALA A 32 -12.160 6.754 -3.642 1.00 0.54 C ATOM 460 C ALA A 32 -13.357 7.393 -4.325 1.00 0.56 C ATOM 461 O ALA A 32 -14.134 8.103 -3.691 1.00 0.70 O ATOM 462 CB ALA A 32 -12.571 6.090 -2.336 1.00 0.61 C ATOM 0 H ALA A 32 -11.328 8.359 -2.594 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.753 5.983 -4.296 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.333 5.336 -2.535 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.702 5.616 -1.880 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.973 6.842 -1.656 1.00 0.61 H new ATOM 468 N LEU A 33 -13.475 7.179 -5.625 1.00 0.54 N ATOM 469 CA LEU A 33 -14.556 7.775 -6.394 1.00 0.64 C ATOM 470 C LEU A 33 -15.824 6.946 -6.255 1.00 0.75 C ATOM 471 O LEU A 33 -15.891 5.812 -6.733 1.00 0.84 O ATOM 472 CB LEU A 33 -14.161 7.892 -7.868 1.00 0.74 C ATOM 473 CG LEU A 33 -15.182 8.598 -8.764 1.00 1.28 C ATOM 474 CD1 LEU A 33 -15.373 10.042 -8.329 1.00 1.90 C ATOM 475 CD2 LEU A 33 -14.743 8.534 -10.218 1.00 1.94 C ATOM 0 H LEU A 33 -12.837 6.598 -6.169 1.00 0.54 H new ATOM 0 HA LEU A 33 -14.747 8.775 -6.004 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -13.214 8.428 -7.932 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -13.988 6.890 -8.261 1.00 0.74 H new ATOM 0 HG LEU A 33 -16.138 8.084 -8.666 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -16.103 10.524 -8.979 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -15.731 10.068 -7.300 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -14.422 10.571 -8.395 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -15.479 9.040 -10.843 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -13.775 9.024 -10.328 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -14.659 7.492 -10.527 1.00 1.94 H new ATOM 487 N GLY A 34 -16.822 7.512 -5.596 1.00 0.85 N ATOM 488 CA GLY A 34 -18.068 6.811 -5.398 1.00 1.06 C ATOM 489 C GLY A 34 -18.069 6.004 -4.122 1.00 0.98 C ATOM 490 O GLY A 34 -17.949 6.562 -3.028 1.00 1.81 O ATOM 0 H GLY A 34 -16.789 8.449 -5.194 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -18.888 7.529 -5.373 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.250 6.149 -6.245 1.00 1.06 H new ATOM 494 N CYS A 35 -18.203 4.690 -4.275 1.00 0.96 N ATOM 495 CA CYS A 35 -18.220 3.743 -3.163 1.00 0.86 C ATOM 496 C CYS A 35 -19.498 3.890 -2.333 1.00 0.96 C ATOM 497 O CYS A 35 -20.374 3.023 -2.392 1.00 1.88 O ATOM 498 CB CYS A 35 -16.969 3.901 -2.290 1.00 0.84 C ATOM 499 SG CYS A 35 -15.403 3.785 -3.220 1.00 1.18 S ATOM 0 H CYS A 35 -18.304 4.246 -5.188 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.211 2.736 -3.579 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -17.010 4.866 -1.784 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.979 3.134 -1.515 1.00 0.84 H new ATOM 504 N ASN A 36 -19.593 4.993 -1.579 1.00 0.79 N ATOM 505 CA ASN A 36 -20.759 5.319 -0.739 1.00 0.72 C ATOM 506 C ASN A 36 -20.945 4.339 0.421 1.00 0.69 C ATOM 507 O ASN A 36 -20.967 4.743 1.579 1.00 0.80 O ATOM 508 CB ASN A 36 -22.041 5.415 -1.576 1.00 0.76 C ATOM 509 CG ASN A 36 -22.087 6.678 -2.421 1.00 1.29 C ATOM 510 OD1 ASN A 36 -22.516 7.733 -1.958 1.00 1.75 O ATOM 511 ND2 ASN A 36 -21.661 6.581 -3.671 1.00 2.14 N ATOM 0 H ASN A 36 -18.854 5.695 -1.533 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.556 6.297 -0.302 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.114 4.543 -2.226 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -22.907 5.392 -0.914 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -21.683 7.397 -4.282 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -21.311 5.690 -4.023 1.00 2.14 H new ATOM 518 N ALA A 37 -21.062 3.063 0.115 1.00 0.65 N ATOM 519 CA ALA A 37 -21.259 2.044 1.137 1.00 0.74 C ATOM 520 C ALA A 37 -20.272 0.902 0.943 1.00 0.70 C ATOM 521 O ALA A 37 -20.611 -0.268 1.114 1.00 0.94 O ATOM 522 CB ALA A 37 -22.688 1.527 1.091 1.00 0.93 C ATOM 0 H ALA A 37 -21.024 2.701 -0.838 1.00 0.65 H new ATOM 0 HA ALA A 37 -21.081 2.489 2.116 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.824 0.766 1.859 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.379 2.351 1.270 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.887 1.093 0.111 1.00 0.93 H new ATOM 528 N ARG A 38 -19.039 1.247 0.610 1.00 0.59 N ATOM 529 CA ARG A 38 -18.039 0.242 0.290 1.00 0.61 C ATOM 530 C ARG A 38 -16.784 0.416 1.132 1.00 0.50 C ATOM 531 O ARG A 38 -16.424 1.532 1.504 1.00 0.50 O ATOM 532 CB ARG A 38 -17.677 0.330 -1.190 1.00 0.71 C ATOM 533 CG ARG A 38 -16.839 -0.835 -1.688 1.00 0.98 C ATOM 534 CD ARG A 38 -17.540 -2.165 -1.467 1.00 2.02 C ATOM 535 NE ARG A 38 -18.785 -2.276 -2.225 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.388 -3.434 -2.492 1.00 3.70 C ATOM 537 NH1 ARG A 38 -18.848 -4.576 -2.083 1.00 4.05 N ATOM 538 NH2 ARG A 38 -20.526 -3.452 -3.174 1.00 4.64 N ATOM 0 H ARG A 38 -18.708 2.210 0.554 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.463 -0.737 0.512 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.595 0.382 -1.776 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.133 1.258 -1.367 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.630 -0.706 -2.750 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -15.879 -0.839 -1.172 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -16.871 -2.976 -1.753 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -17.753 -2.287 -0.405 1.00 2.02 H new ATOM 0 HE ARG A 38 -19.217 -1.418 -2.569 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -17.970 -4.568 -1.564 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -19.311 -5.461 -2.288 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -20.942 -2.578 -3.496 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -20.985 -4.340 -3.377 1.00 4.64 H new ATOM 552 N GLN A 39 -16.127 -0.694 1.429 1.00 0.48 N ATOM 553 CA GLN A 39 -14.856 -0.671 2.128 1.00 0.42 C ATOM 554 C GLN A 39 -13.717 -0.531 1.127 1.00 0.42 C ATOM 555 O GLN A 39 -13.602 -1.315 0.188 1.00 0.62 O ATOM 556 CB GLN A 39 -14.693 -1.946 2.958 1.00 0.47 C ATOM 557 CG GLN A 39 -15.724 -2.058 4.072 1.00 0.64 C ATOM 558 CD GLN A 39 -16.062 -3.489 4.434 1.00 0.87 C ATOM 559 OE1 GLN A 39 -16.064 -4.376 3.584 1.00 1.75 O ATOM 560 NE2 GLN A 39 -16.349 -3.722 5.703 1.00 1.40 N ATOM 0 H GLN A 39 -16.459 -1.629 1.193 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.832 0.185 2.802 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.776 -2.814 2.303 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.693 -1.967 3.391 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.349 -1.545 4.958 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.635 -1.543 3.768 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -16.336 -2.957 6.378 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -16.583 -4.667 6.008 1.00 1.40 H new ATOM 569 N VAL A 40 -12.897 0.488 1.313 1.00 0.36 N ATOM 570 CA VAL A 40 -11.761 0.722 0.434 1.00 0.38 C ATOM 571 C VAL A 40 -10.533 0.012 0.982 1.00 0.35 C ATOM 572 O VAL A 40 -10.124 0.272 2.109 1.00 0.41 O ATOM 573 CB VAL A 40 -11.459 2.229 0.293 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.299 2.462 -0.663 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.699 2.981 -0.169 1.00 0.54 C ATOM 0 H VAL A 40 -12.995 1.169 2.066 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.012 0.329 -0.551 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.171 2.612 1.272 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.105 3.531 -0.746 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.409 1.960 -0.284 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.551 2.062 -1.645 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.467 4.042 -0.263 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.021 2.593 -1.135 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.498 2.847 0.560 1.00 0.54 H new ATOM 585 N ALA A 41 -9.963 -0.889 0.193 1.00 0.29 N ATOM 586 CA ALA A 41 -8.814 -1.655 0.612 1.00 0.28 C ATOM 587 C ALA A 41 -7.655 -1.436 -0.340 1.00 0.26 C ATOM 588 O ALA A 41 -7.853 -1.241 -1.536 1.00 0.35 O ATOM 589 CB ALA A 41 -9.168 -3.130 0.669 1.00 0.36 C ATOM 0 H ALA A 41 -10.288 -1.103 -0.750 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.515 -1.321 1.606 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.296 -3.702 0.986 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -9.980 -3.282 1.380 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.483 -3.467 -0.319 1.00 0.36 H new ATOM 595 N LEU A 42 -6.449 -1.489 0.184 1.00 0.27 N ATOM 596 CA LEU A 42 -5.272 -1.366 -0.650 1.00 0.31 C ATOM 597 C LEU A 42 -4.661 -2.734 -0.888 1.00 0.31 C ATOM 598 O LEU A 42 -4.079 -3.337 0.010 1.00 0.48 O ATOM 599 CB LEU A 42 -4.238 -0.422 -0.024 1.00 0.39 C ATOM 600 CG LEU A 42 -4.552 1.071 -0.159 1.00 0.52 C ATOM 601 CD1 LEU A 42 -5.719 1.475 0.728 1.00 0.80 C ATOM 602 CD2 LEU A 42 -3.325 1.907 0.163 1.00 0.84 C ATOM 0 H LEU A 42 -6.258 -1.616 1.178 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.577 -0.938 -1.605 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -4.144 -0.663 1.035 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.268 -0.616 -0.482 1.00 0.39 H new ATOM 0 HG LEU A 42 -4.839 1.257 -1.194 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -5.915 2.540 0.608 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -6.606 0.908 0.443 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -5.474 1.266 1.769 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -3.568 2.965 0.061 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -3.005 1.705 1.185 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -2.520 1.652 -0.526 1.00 0.84 H new ATOM 614 N LYS A 43 -4.856 -3.245 -2.095 1.00 0.34 N ATOM 615 CA LYS A 43 -4.272 -4.512 -2.495 1.00 0.37 C ATOM 616 C LYS A 43 -2.985 -4.242 -3.245 1.00 0.38 C ATOM 617 O LYS A 43 -2.831 -3.189 -3.858 1.00 0.53 O ATOM 618 CB LYS A 43 -5.232 -5.304 -3.397 1.00 0.42 C ATOM 619 CG LYS A 43 -6.293 -6.131 -2.669 1.00 0.49 C ATOM 620 CD LYS A 43 -7.188 -5.291 -1.776 1.00 1.00 C ATOM 621 CE LYS A 43 -6.738 -5.356 -0.331 1.00 1.29 C ATOM 622 NZ LYS A 43 -6.740 -6.752 0.177 1.00 1.93 N ATOM 0 H LYS A 43 -5.419 -2.796 -2.817 1.00 0.34 H new ATOM 0 HA LYS A 43 -4.076 -5.105 -1.602 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -5.737 -4.604 -4.063 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.643 -5.973 -4.025 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.907 -6.652 -3.404 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.801 -6.894 -2.066 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -7.177 -4.256 -2.117 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -8.217 -5.642 -1.855 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -5.736 -4.936 -0.242 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -7.396 -4.743 0.284 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -7.349 -6.815 1.018 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -7.102 -7.389 -0.561 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -5.771 -7.031 0.430 1.00 1.93 H new ATOM 636 N ALA A 44 -2.059 -5.168 -3.183 1.00 0.36 N ATOM 637 CA ALA A 44 -0.820 -5.028 -3.911 1.00 0.37 C ATOM 638 C ALA A 44 -0.755 -6.053 -5.027 1.00 0.34 C ATOM 639 O ALA A 44 -1.432 -7.082 -4.978 1.00 0.36 O ATOM 640 CB ALA A 44 0.368 -5.167 -2.976 1.00 0.41 C ATOM 0 H ALA A 44 -2.139 -6.026 -2.637 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.782 -4.033 -4.354 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.292 -5.059 -3.543 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.320 -4.394 -2.209 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.346 -6.149 -2.503 1.00 0.41 H new ATOM 646 N ASP A 45 0.041 -5.756 -6.034 1.00 0.36 N ATOM 647 CA ASP A 45 0.237 -6.665 -7.145 1.00 0.39 C ATOM 648 C ASP A 45 1.233 -7.734 -6.724 1.00 0.37 C ATOM 649 O ASP A 45 2.069 -7.474 -5.863 1.00 0.35 O ATOM 650 CB ASP A 45 0.754 -5.887 -8.358 1.00 0.45 C ATOM 651 CG ASP A 45 0.828 -6.734 -9.614 1.00 0.57 C ATOM 652 OD1 ASP A 45 1.825 -7.469 -9.780 1.00 0.64 O ATOM 653 OD2 ASP A 45 -0.103 -6.665 -10.443 1.00 0.71 O ATOM 0 H ASP A 45 0.567 -4.885 -6.106 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.704 -7.140 -7.421 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.102 -5.032 -8.540 1.00 0.45 H new ATOM 0 HB3 ASP A 45 1.744 -5.491 -8.134 1.00 0.45 H new ATOM 658 N THR A 46 1.159 -8.926 -7.318 1.00 0.47 N ATOM 659 CA THR A 46 2.030 -10.036 -6.917 1.00 0.55 C ATOM 660 C THR A 46 3.516 -9.666 -7.030 1.00 0.47 C ATOM 661 O THR A 46 4.379 -10.370 -6.502 1.00 0.56 O ATOM 662 CB THR A 46 1.752 -11.318 -7.735 1.00 0.76 C ATOM 663 OG1 THR A 46 2.494 -12.421 -7.192 1.00 1.40 O ATOM 664 CG2 THR A 46 2.126 -11.132 -9.198 1.00 0.99 C ATOM 0 H THR A 46 0.511 -9.149 -8.073 1.00 0.47 H new ATOM 0 HA THR A 46 1.798 -10.237 -5.871 1.00 0.55 H new ATOM 0 HB THR A 46 0.684 -11.526 -7.673 1.00 0.76 H new ATOM 0 HG1 THR A 46 3.284 -12.083 -6.721 1.00 1.40 H new ATOM 0 HG21 THR A 46 1.919 -12.051 -9.746 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.541 -10.316 -9.622 1.00 0.99 H new ATOM 0 HG23 THR A 46 3.187 -10.895 -9.275 1.00 0.99 H new ATOM 672 N ASP A 47 3.794 -8.561 -7.715 1.00 0.42 N ATOM 673 CA ASP A 47 5.142 -8.008 -7.810 1.00 0.50 C ATOM 674 C ASP A 47 5.723 -7.731 -6.420 1.00 0.43 C ATOM 675 O ASP A 47 6.910 -7.957 -6.177 1.00 0.47 O ATOM 676 CB ASP A 47 5.088 -6.719 -8.640 1.00 0.66 C ATOM 677 CG ASP A 47 6.400 -5.961 -8.680 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.425 -6.546 -9.089 1.00 1.72 O ATOM 679 OD2 ASP A 47 6.399 -4.756 -8.346 1.00 2.22 O ATOM 0 H ASP A 47 3.091 -8.023 -8.221 1.00 0.42 H new ATOM 0 HA ASP A 47 5.795 -8.732 -8.297 1.00 0.50 H new ATOM 0 HB2 ASP A 47 4.791 -6.966 -9.659 1.00 0.66 H new ATOM 0 HB3 ASP A 47 4.315 -6.068 -8.232 1.00 0.66 H new ATOM 684 N ASN A 48 4.877 -7.274 -5.502 1.00 0.38 N ATOM 685 CA ASN A 48 5.302 -7.001 -4.130 1.00 0.39 C ATOM 686 C ASN A 48 4.298 -7.580 -3.133 1.00 0.37 C ATOM 687 O ASN A 48 4.266 -7.178 -1.971 1.00 0.42 O ATOM 688 CB ASN A 48 5.447 -5.493 -3.881 1.00 0.50 C ATOM 689 CG ASN A 48 4.122 -4.756 -3.948 1.00 0.65 C ATOM 690 OD1 ASN A 48 3.253 -5.079 -4.752 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.954 -3.767 -3.088 1.00 1.19 N ATOM 0 H ASN A 48 3.891 -7.084 -5.682 1.00 0.38 H new ATOM 0 HA ASN A 48 6.273 -7.475 -3.989 1.00 0.39 H new ATOM 0 HB2 ASN A 48 5.898 -5.333 -2.902 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.130 -5.072 -4.619 1.00 0.50 H new ATOM 0 HD21 ASN A 48 3.079 -3.243 -3.078 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.699 -3.527 -2.434 1.00 1.19 H new ATOM 698 N PHE A 49 3.497 -8.531 -3.592 1.00 0.35 N ATOM 699 CA PHE A 49 2.442 -9.121 -2.772 1.00 0.36 C ATOM 700 C PHE A 49 2.614 -10.635 -2.721 1.00 0.38 C ATOM 701 O PHE A 49 2.295 -11.338 -3.683 1.00 0.39 O ATOM 702 CB PHE A 49 1.078 -8.749 -3.366 1.00 0.38 C ATOM 703 CG PHE A 49 -0.132 -9.144 -2.562 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.603 -8.321 -1.553 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.770 -10.356 -2.785 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.683 -8.696 -0.781 1.00 0.42 C ATOM 707 CE2 PHE A 49 -1.854 -10.734 -2.019 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.418 -9.840 -1.144 1.00 0.46 C ATOM 0 H PHE A 49 3.557 -8.915 -4.535 1.00 0.35 H new ATOM 0 HA PHE A 49 2.502 -8.736 -1.754 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.053 -7.669 -3.514 1.00 0.38 H new ATOM 0 HB3 PHE A 49 0.998 -9.208 -4.352 1.00 0.38 H new ATOM 0 HD1 PHE A 49 -0.119 -7.374 -1.368 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.414 -11.011 -3.567 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -1.961 -8.120 0.089 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.258 -11.732 -2.108 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.406 -10.011 -0.742 1.00 0.46 H new ATOM 718 N GLU A 50 3.142 -11.131 -1.611 1.00 0.44 N ATOM 719 CA GLU A 50 3.367 -12.560 -1.451 1.00 0.52 C ATOM 720 C GLU A 50 2.269 -13.184 -0.588 1.00 0.52 C ATOM 721 O GLU A 50 2.220 -12.967 0.624 1.00 0.54 O ATOM 722 CB GLU A 50 4.767 -12.831 -0.864 1.00 0.65 C ATOM 723 CG GLU A 50 5.057 -12.119 0.454 1.00 1.22 C ATOM 724 CD GLU A 50 6.464 -12.374 0.972 1.00 1.82 C ATOM 725 OE1 GLU A 50 7.020 -13.460 0.705 1.00 2.15 O ATOM 726 OE2 GLU A 50 7.030 -11.483 1.645 1.00 2.41 O ATOM 0 H GLU A 50 3.422 -10.566 -0.809 1.00 0.44 H new ATOM 0 HA GLU A 50 3.325 -13.029 -2.434 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.881 -13.905 -0.714 1.00 0.65 H new ATOM 0 HB3 GLU A 50 5.517 -12.530 -1.596 1.00 0.65 H new ATOM 0 HG2 GLU A 50 4.914 -11.047 0.320 1.00 1.22 H new ATOM 0 HG3 GLU A 50 4.336 -12.446 1.203 1.00 1.22 H new ATOM 733 N GLN A 51 1.363 -13.913 -1.248 1.00 0.63 N ATOM 734 CA GLN A 51 0.244 -14.614 -0.597 1.00 0.76 C ATOM 735 C GLN A 51 -0.813 -13.626 -0.102 1.00 0.72 C ATOM 736 O GLN A 51 -1.983 -13.725 -0.465 1.00 1.07 O ATOM 737 CB GLN A 51 0.748 -15.512 0.549 1.00 0.87 C ATOM 738 CG GLN A 51 -0.301 -16.468 1.122 1.00 1.71 C ATOM 739 CD GLN A 51 -1.206 -15.841 2.174 1.00 2.56 C ATOM 740 OE1 GLN A 51 -2.375 -16.211 2.304 1.00 2.92 O ATOM 741 NE2 GLN A 51 -0.669 -14.917 2.955 1.00 3.43 N ATOM 0 H GLN A 51 1.384 -14.036 -2.260 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.227 -15.256 -1.341 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.594 -16.097 0.189 1.00 0.87 H new ATOM 0 HB3 GLN A 51 1.119 -14.877 1.354 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -0.918 -16.845 0.306 1.00 1.71 H new ATOM 0 HG3 GLN A 51 0.207 -17.327 1.561 1.00 1.71 H new ATOM 0 HE21 GLN A 51 0.302 -14.635 2.819 1.00 3.43 H new ATOM 0 HE22 GLN A 51 -1.226 -14.487 3.693 1.00 3.43 H new ATOM 750 N GLY A 52 -0.395 -12.679 0.720 1.00 0.56 N ATOM 751 CA GLY A 52 -1.312 -11.699 1.250 1.00 0.52 C ATOM 752 C GLY A 52 -0.601 -10.634 2.048 1.00 0.48 C ATOM 753 O GLY A 52 -1.102 -10.186 3.074 1.00 0.52 O ATOM 0 H GLY A 52 0.571 -12.572 1.031 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.859 -11.233 0.430 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -2.048 -12.196 1.883 1.00 0.52 H new ATOM 757 N LYS A 53 0.581 -10.246 1.582 1.00 0.47 N ATOM 758 CA LYS A 53 1.397 -9.239 2.256 1.00 0.47 C ATOM 759 C LYS A 53 2.164 -8.416 1.228 1.00 0.42 C ATOM 760 O LYS A 53 2.672 -8.964 0.251 1.00 0.41 O ATOM 761 CB LYS A 53 2.394 -9.910 3.202 1.00 0.53 C ATOM 762 CG LYS A 53 1.752 -10.809 4.254 1.00 1.01 C ATOM 763 CD LYS A 53 1.026 -9.993 5.314 1.00 0.65 C ATOM 764 CE LYS A 53 0.158 -10.861 6.215 1.00 1.27 C ATOM 765 NZ LYS A 53 -1.234 -10.987 5.700 1.00 2.12 N ATOM 0 H LYS A 53 1.000 -10.618 0.730 1.00 0.47 H new ATOM 0 HA LYS A 53 0.737 -8.588 2.829 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.094 -10.502 2.613 1.00 0.53 H new ATOM 0 HB3 LYS A 53 2.975 -9.138 3.706 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.050 -11.490 3.773 1.00 1.01 H new ATOM 0 HG3 LYS A 53 2.519 -11.423 4.727 1.00 1.01 H new ATOM 0 HD2 LYS A 53 1.756 -9.458 5.922 1.00 0.65 H new ATOM 0 HD3 LYS A 53 0.404 -9.241 4.828 1.00 0.65 H new ATOM 0 HE2 LYS A 53 0.603 -11.852 6.301 1.00 1.27 H new ATOM 0 HE3 LYS A 53 0.136 -10.433 7.217 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 -1.904 -10.661 6.426 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 -1.341 -10.406 4.844 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 -1.430 -11.982 5.470 1.00 2.12 H new ATOM 779 N PHE A 54 2.243 -7.109 1.447 1.00 0.44 N ATOM 780 CA PHE A 54 2.962 -6.224 0.546 1.00 0.41 C ATOM 781 C PHE A 54 4.194 -5.618 1.206 1.00 0.39 C ATOM 782 O PHE A 54 4.233 -5.411 2.424 1.00 0.44 O ATOM 783 CB PHE A 54 2.042 -5.136 -0.023 1.00 0.43 C ATOM 784 CG PHE A 54 1.098 -4.468 0.953 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.593 -3.923 2.132 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.268 -4.394 0.716 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.749 -3.313 3.044 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.114 -3.783 1.628 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.676 -3.232 2.714 1.00 0.51 C ATOM 0 H PHE A 54 1.815 -6.639 2.245 1.00 0.44 H new ATOM 0 HA PHE A 54 3.311 -6.833 -0.288 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.666 -4.365 -0.476 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.448 -5.577 -0.824 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.652 -3.976 2.340 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.676 -4.818 -0.190 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.129 -2.909 3.971 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.175 -3.766 1.426 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.357 -2.715 3.374 1.00 0.51 H new ATOM 799 N PHE A 55 5.196 -5.337 0.384 1.00 0.37 N ATOM 800 CA PHE A 55 6.503 -4.914 0.867 1.00 0.36 C ATOM 801 C PHE A 55 7.267 -4.148 -0.210 1.00 0.42 C ATOM 802 O PHE A 55 6.775 -3.973 -1.326 1.00 0.55 O ATOM 803 CB PHE A 55 7.309 -6.149 1.292 1.00 0.36 C ATOM 804 CG PHE A 55 7.282 -7.259 0.278 1.00 0.39 C ATOM 805 CD1 PHE A 55 8.204 -7.286 -0.753 1.00 0.41 C ATOM 806 CD2 PHE A 55 6.349 -8.280 0.362 1.00 0.53 C ATOM 807 CE1 PHE A 55 8.198 -8.305 -1.680 1.00 0.48 C ATOM 808 CE2 PHE A 55 6.337 -9.303 -0.566 1.00 0.59 C ATOM 809 CZ PHE A 55 7.197 -9.303 -1.601 1.00 0.54 C ATOM 0 H PHE A 55 5.126 -5.396 -0.632 1.00 0.37 H new ATOM 0 HA PHE A 55 6.360 -4.249 1.719 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.343 -5.855 1.470 1.00 0.36 H new ATOM 0 HB3 PHE A 55 6.916 -6.522 2.238 1.00 0.36 H new ATOM 0 HD1 PHE A 55 8.938 -6.498 -0.832 1.00 0.41 H new ATOM 0 HD2 PHE A 55 5.623 -8.276 1.162 1.00 0.53 H new ATOM 0 HE1 PHE A 55 8.947 -8.342 -2.457 1.00 0.48 H new ATOM 0 HE2 PHE A 55 5.629 -10.112 -0.460 1.00 0.59 H new ATOM 0 HZ PHE A 55 7.124 -10.060 -2.367 1.00 0.54 H new ATOM 819 N LEU A 56 8.458 -3.679 0.149 1.00 0.37 N ATOM 820 CA LEU A 56 9.389 -3.103 -0.809 1.00 0.44 C ATOM 821 C LEU A 56 10.122 -4.239 -1.506 1.00 0.44 C ATOM 822 O LEU A 56 10.851 -4.982 -0.853 1.00 0.53 O ATOM 823 CB LEU A 56 10.421 -2.216 -0.094 1.00 0.53 C ATOM 824 CG LEU A 56 9.867 -1.242 0.946 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.998 -0.668 1.786 1.00 1.53 C ATOM 826 CD2 LEU A 56 9.099 -0.123 0.272 1.00 1.27 C ATOM 0 H LEU A 56 8.802 -3.688 1.109 1.00 0.37 H new ATOM 0 HA LEU A 56 8.837 -2.494 -1.525 1.00 0.44 H new ATOM 0 HB2 LEU A 56 11.149 -2.863 0.396 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.961 -1.642 -0.848 1.00 0.53 H new ATOM 0 HG LEU A 56 9.185 -1.787 1.598 1.00 0.81 H new ATOM 0 HD11 LEU A 56 10.589 0.024 2.522 1.00 1.53 H new ATOM 0 HD12 LEU A 56 11.518 -1.478 2.298 1.00 1.53 H new ATOM 0 HD13 LEU A 56 11.698 -0.138 1.140 1.00 1.53 H new ATOM 0 HD21 LEU A 56 8.712 0.560 1.028 1.00 1.27 H new ATOM 0 HD22 LEU A 56 9.763 0.419 -0.402 1.00 1.27 H new ATOM 0 HD23 LEU A 56 8.269 -0.542 -0.296 1.00 1.27 H new ATOM 838 N ILE A 57 9.935 -4.399 -2.807 1.00 0.42 N ATOM 839 CA ILE A 57 10.646 -5.453 -3.516 1.00 0.45 C ATOM 840 C ILE A 57 11.772 -4.850 -4.343 1.00 0.46 C ATOM 841 O ILE A 57 11.557 -3.990 -5.198 1.00 0.52 O ATOM 842 CB ILE A 57 9.717 -6.331 -4.404 1.00 0.53 C ATOM 843 CG1 ILE A 57 10.510 -7.484 -5.029 1.00 0.57 C ATOM 844 CG2 ILE A 57 9.035 -5.515 -5.490 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.098 -8.438 -4.012 1.00 0.57 C ATOM 0 H ILE A 57 9.314 -3.829 -3.382 1.00 0.42 H new ATOM 0 HA ILE A 57 11.061 -6.122 -2.762 1.00 0.45 H new ATOM 0 HB ILE A 57 8.939 -6.739 -3.759 1.00 0.53 H new ATOM 0 HG12 ILE A 57 9.857 -8.040 -5.701 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.316 -7.072 -5.636 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.396 -6.166 -6.087 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.430 -4.733 -5.032 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.790 -5.060 -6.131 1.00 0.62 H new ATOM 0 HD11 ILE A 57 11.645 -9.228 -4.527 1.00 0.57 H new ATOM 0 HD12 ILE A 57 11.777 -7.896 -3.355 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.296 -8.879 -3.420 1.00 0.57 H new ATOM 857 N SER A 58 12.983 -5.276 -4.043 1.00 0.52 N ATOM 858 CA SER A 58 14.163 -4.723 -4.671 1.00 0.62 C ATOM 859 C SER A 58 14.322 -5.226 -6.096 1.00 0.72 C ATOM 860 O SER A 58 13.949 -6.356 -6.417 1.00 0.77 O ATOM 861 CB SER A 58 15.401 -5.088 -3.852 1.00 0.78 C ATOM 862 OG SER A 58 16.579 -4.543 -4.421 1.00 1.44 O ATOM 0 H SER A 58 13.175 -6.010 -3.362 1.00 0.52 H new ATOM 0 HA SER A 58 14.051 -3.639 -4.708 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.285 -4.721 -2.832 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.492 -6.173 -3.792 1.00 0.78 H new ATOM 0 HG SER A 58 17.353 -4.793 -3.873 1.00 1.44 H new ATOM 868 N ASP A 59 14.878 -4.374 -6.943 1.00 0.97 N ATOM 869 CA ASP A 59 15.287 -4.774 -8.282 1.00 1.18 C ATOM 870 C ASP A 59 16.374 -5.841 -8.192 1.00 1.20 C ATOM 871 O ASP A 59 16.498 -6.706 -9.057 1.00 1.34 O ATOM 872 CB ASP A 59 15.801 -3.556 -9.050 1.00 1.57 C ATOM 873 CG ASP A 59 16.581 -3.928 -10.295 1.00 1.80 C ATOM 874 OD1 ASP A 59 15.956 -4.123 -11.357 1.00 2.17 O ATOM 875 OD2 ASP A 59 17.827 -4.013 -10.218 1.00 2.31 O ATOM 0 H ASP A 59 15.058 -3.394 -6.725 1.00 0.97 H new ATOM 0 HA ASP A 59 14.431 -5.189 -8.813 1.00 1.18 H new ATOM 0 HB2 ASP A 59 14.956 -2.927 -9.331 1.00 1.57 H new ATOM 0 HB3 ASP A 59 16.436 -2.961 -8.394 1.00 1.57 H new ATOM 880 N ASN A 60 17.147 -5.773 -7.117 1.00 1.26 N ATOM 881 CA ASN A 60 18.216 -6.728 -6.872 1.00 1.52 C ATOM 882 C ASN A 60 17.646 -8.012 -6.263 1.00 1.40 C ATOM 883 O ASN A 60 18.244 -9.084 -6.369 1.00 1.74 O ATOM 884 CB ASN A 60 19.252 -6.103 -5.939 1.00 1.82 C ATOM 885 CG ASN A 60 20.545 -6.888 -5.876 1.00 2.52 C ATOM 886 OD1 ASN A 60 21.191 -6.944 -4.831 1.00 3.09 O ATOM 887 ND2 ASN A 60 20.943 -7.477 -6.995 1.00 3.05 N ATOM 0 H ASN A 60 17.051 -5.059 -6.395 1.00 1.26 H new ATOM 0 HA ASN A 60 18.698 -6.983 -7.816 1.00 1.52 H new ATOM 0 HB2 ASN A 60 19.466 -5.088 -6.272 1.00 1.82 H new ATOM 0 HB3 ASN A 60 18.831 -6.027 -4.937 1.00 1.82 H new ATOM 0 HD21 ASN A 60 21.817 -8.003 -7.012 1.00 3.05 H new ATOM 0 HD22 ASN A 60 20.375 -7.405 -7.839 1.00 3.05 H new ATOM 894 N ASN A 61 16.484 -7.875 -5.622 1.00 1.11 N ATOM 895 CA ASN A 61 15.729 -9.004 -5.058 1.00 1.06 C ATOM 896 C ASN A 61 16.484 -9.680 -3.903 1.00 1.11 C ATOM 897 O ASN A 61 16.206 -10.823 -3.546 1.00 1.55 O ATOM 898 CB ASN A 61 15.384 -10.029 -6.154 1.00 1.29 C ATOM 899 CG ASN A 61 14.304 -11.012 -5.728 1.00 1.85 C ATOM 900 OD1 ASN A 61 13.435 -10.686 -4.919 1.00 2.62 O ATOM 901 ND2 ASN A 61 14.346 -12.217 -6.273 1.00 2.37 N ATOM 0 H ASN A 61 16.034 -6.971 -5.477 1.00 1.11 H new ATOM 0 HA ASN A 61 14.802 -8.603 -4.650 1.00 1.06 H new ATOM 0 HB2 ASN A 61 15.054 -9.500 -7.048 1.00 1.29 H new ATOM 0 HB3 ASN A 61 16.284 -10.581 -6.424 1.00 1.29 H new ATOM 0 HD21 ASN A 61 13.642 -12.913 -6.026 1.00 2.37 H new ATOM 0 HD22 ASN A 61 15.082 -12.450 -6.940 1.00 2.37 H new ATOM 908 N ARG A 62 17.421 -8.961 -3.298 1.00 0.98 N ATOM 909 CA ARG A 62 18.147 -9.488 -2.144 1.00 1.06 C ATOM 910 C ARG A 62 17.550 -8.967 -0.846 1.00 0.90 C ATOM 911 O ARG A 62 17.938 -9.392 0.241 1.00 1.01 O ATOM 912 CB ARG A 62 19.629 -9.115 -2.204 1.00 1.27 C ATOM 913 CG ARG A 62 20.400 -9.840 -3.290 1.00 1.79 C ATOM 914 CD ARG A 62 21.874 -9.471 -3.249 1.00 2.44 C ATOM 915 NE ARG A 62 22.667 -10.206 -4.239 1.00 3.13 N ATOM 916 CZ ARG A 62 23.504 -9.625 -5.101 1.00 3.67 C ATOM 917 NH1 ARG A 62 23.561 -8.302 -5.189 1.00 3.55 N ATOM 918 NH2 ARG A 62 24.264 -10.365 -5.896 1.00 4.66 N ATOM 0 H ARG A 62 17.696 -8.021 -3.582 1.00 0.98 H new ATOM 0 HA ARG A 62 18.056 -10.574 -2.172 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.717 -8.041 -2.365 1.00 1.27 H new ATOM 0 HB3 ARG A 62 20.088 -9.332 -1.239 1.00 1.27 H new ATOM 0 HG2 ARG A 62 20.287 -10.917 -3.164 1.00 1.79 H new ATOM 0 HG3 ARG A 62 19.985 -9.588 -4.266 1.00 1.79 H new ATOM 0 HD2 ARG A 62 21.982 -8.401 -3.425 1.00 2.44 H new ATOM 0 HD3 ARG A 62 22.267 -9.672 -2.252 1.00 2.44 H new ATOM 0 HE ARG A 62 22.574 -11.221 -4.271 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.964 -7.725 -4.596 1.00 3.55 H new ATOM 0 HH12 ARG A 62 24.202 -7.862 -5.849 1.00 3.55 H new ATOM 0 HH21 ARG A 62 24.210 -11.383 -5.850 1.00 4.66 H new ATOM 0 HH22 ARG A 62 24.902 -9.917 -6.553 1.00 4.66 H new ATOM 932 N ASP A 63 16.604 -8.051 -0.967 1.00 0.81 N ATOM 933 CA ASP A 63 16.012 -7.405 0.199 1.00 0.75 C ATOM 934 C ASP A 63 14.537 -7.103 -0.027 1.00 0.61 C ATOM 935 O ASP A 63 14.126 -6.777 -1.146 1.00 0.69 O ATOM 936 CB ASP A 63 16.763 -6.107 0.514 1.00 0.92 C ATOM 937 CG ASP A 63 16.082 -5.281 1.587 1.00 1.70 C ATOM 938 OD1 ASP A 63 15.131 -4.540 1.265 1.00 2.51 O ATOM 939 OD2 ASP A 63 16.485 -5.382 2.763 1.00 2.02 O ATOM 0 H ASP A 63 16.227 -7.736 -1.861 1.00 0.81 H new ATOM 0 HA ASP A 63 16.095 -8.090 1.043 1.00 0.75 H new ATOM 0 HB2 ASP A 63 17.776 -6.348 0.835 1.00 0.92 H new ATOM 0 HB3 ASP A 63 16.850 -5.513 -0.396 1.00 0.92 H new ATOM 944 N LYS A 64 13.750 -7.239 1.037 1.00 0.51 N ATOM 945 CA LYS A 64 12.356 -6.827 1.022 1.00 0.48 C ATOM 946 C LYS A 64 11.916 -6.398 2.423 1.00 0.52 C ATOM 947 O LYS A 64 12.178 -7.092 3.409 1.00 0.86 O ATOM 948 CB LYS A 64 11.450 -7.944 0.457 1.00 0.57 C ATOM 949 CG LYS A 64 11.441 -9.256 1.244 1.00 0.65 C ATOM 950 CD LYS A 64 10.347 -9.282 2.304 1.00 0.84 C ATOM 951 CE LYS A 64 10.237 -10.648 2.969 1.00 1.52 C ATOM 952 NZ LYS A 64 9.702 -11.685 2.044 1.00 2.07 N ATOM 0 H LYS A 64 14.060 -7.635 1.925 1.00 0.51 H new ATOM 0 HA LYS A 64 12.255 -5.968 0.359 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.429 -7.566 0.405 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.763 -8.157 -0.565 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.298 -10.090 0.556 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.411 -9.399 1.721 1.00 0.65 H new ATOM 0 HD2 LYS A 64 10.555 -8.525 3.060 1.00 0.84 H new ATOM 0 HD3 LYS A 64 9.392 -9.022 1.847 1.00 0.84 H new ATOM 0 HE2 LYS A 64 11.220 -10.956 3.327 1.00 1.52 H new ATOM 0 HE3 LYS A 64 9.589 -10.574 3.842 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 9.565 -12.576 2.563 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 8.791 -11.367 1.656 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 10.376 -11.837 1.266 1.00 2.07 H new ATOM 966 N LEU A 65 11.291 -5.228 2.512 1.00 0.34 N ATOM 967 CA LEU A 65 10.741 -4.733 3.774 1.00 0.34 C ATOM 968 C LEU A 65 9.250 -4.516 3.648 1.00 0.38 C ATOM 969 O LEU A 65 8.802 -3.856 2.720 1.00 0.72 O ATOM 970 CB LEU A 65 11.384 -3.415 4.204 1.00 0.52 C ATOM 971 CG LEU A 65 12.640 -3.536 5.056 1.00 1.18 C ATOM 972 CD1 LEU A 65 12.404 -4.474 6.231 1.00 1.98 C ATOM 973 CD2 LEU A 65 13.820 -3.997 4.220 1.00 1.96 C ATOM 0 H LEU A 65 11.151 -4.600 1.721 1.00 0.34 H new ATOM 0 HA LEU A 65 10.956 -5.490 4.528 1.00 0.34 H new ATOM 0 HB2 LEU A 65 11.629 -2.843 3.309 1.00 0.52 H new ATOM 0 HB3 LEU A 65 10.646 -2.837 4.759 1.00 0.52 H new ATOM 0 HG LEU A 65 12.878 -2.549 5.453 1.00 1.18 H new ATOM 0 HD11 LEU A 65 13.314 -4.547 6.827 1.00 1.98 H new ATOM 0 HD12 LEU A 65 11.595 -4.086 6.850 1.00 1.98 H new ATOM 0 HD13 LEU A 65 12.134 -5.462 5.859 1.00 1.98 H new ATOM 0 HD21 LEU A 65 14.705 -4.076 4.852 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.598 -4.971 3.783 1.00 1.96 H new ATOM 0 HD23 LEU A 65 14.006 -3.276 3.424 1.00 1.96 H new ATOM 985 N TYR A 66 8.483 -5.042 4.586 1.00 0.32 N ATOM 986 CA TYR A 66 7.039 -4.887 4.539 1.00 0.34 C ATOM 987 C TYR A 66 6.662 -3.435 4.789 1.00 0.36 C ATOM 988 O TYR A 66 7.343 -2.725 5.528 1.00 0.44 O ATOM 989 CB TYR A 66 6.360 -5.801 5.557 1.00 0.39 C ATOM 990 CG TYR A 66 6.502 -7.267 5.230 1.00 0.41 C ATOM 991 CD1 TYR A 66 7.609 -7.987 5.658 1.00 0.55 C ATOM 992 CD2 TYR A 66 5.529 -7.933 4.497 1.00 0.50 C ATOM 993 CE1 TYR A 66 7.745 -9.329 5.364 1.00 0.64 C ATOM 994 CE2 TYR A 66 5.658 -9.277 4.200 1.00 0.59 C ATOM 995 CZ TYR A 66 6.758 -9.965 4.614 1.00 0.62 C ATOM 996 OH TYR A 66 6.903 -11.306 4.345 1.00 0.75 O ATOM 0 H TYR A 66 8.831 -5.576 5.383 1.00 0.32 H new ATOM 0 HA TYR A 66 6.692 -5.174 3.546 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.784 -5.613 6.543 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.301 -5.549 5.612 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.377 -7.489 6.231 1.00 0.55 H new ATOM 0 HD2 TYR A 66 4.659 -7.393 4.154 1.00 0.50 H new ATOM 0 HE1 TYR A 66 8.607 -9.880 5.711 1.00 0.64 H new ATOM 0 HE2 TYR A 66 4.886 -9.782 3.639 1.00 0.59 H new ATOM 0 HH TYR A 66 7.083 -11.430 3.390 1.00 0.75 H new ATOM 1006 N VAL A 67 5.596 -2.988 4.152 1.00 0.35 N ATOM 1007 CA VAL A 67 5.181 -1.601 4.266 1.00 0.38 C ATOM 1008 C VAL A 67 3.802 -1.499 4.878 1.00 0.40 C ATOM 1009 O VAL A 67 2.977 -2.397 4.734 1.00 0.73 O ATOM 1010 CB VAL A 67 5.180 -0.883 2.898 1.00 0.49 C ATOM 1011 CG1 VAL A 67 6.579 -0.842 2.322 1.00 0.67 C ATOM 1012 CG2 VAL A 67 4.222 -1.555 1.927 1.00 0.60 C ATOM 0 H VAL A 67 5.003 -3.562 3.552 1.00 0.35 H new ATOM 0 HA VAL A 67 5.907 -1.111 4.914 1.00 0.38 H new ATOM 0 HB VAL A 67 4.837 0.140 3.053 1.00 0.49 H new ATOM 0 HG11 VAL A 67 6.561 -0.333 1.358 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.238 -0.304 3.004 1.00 0.67 H new ATOM 0 HG13 VAL A 67 6.947 -1.859 2.188 1.00 0.67 H new ATOM 0 HG21 VAL A 67 4.242 -1.028 0.973 1.00 0.60 H new ATOM 0 HG22 VAL A 67 4.524 -2.591 1.776 1.00 0.60 H new ATOM 0 HG23 VAL A 67 3.212 -1.528 2.335 1.00 0.60 H new ATOM 1022 N ASN A 68 3.570 -0.412 5.577 1.00 0.42 N ATOM 1023 CA ASN A 68 2.258 -0.105 6.094 1.00 0.49 C ATOM 1024 C ASN A 68 1.744 1.145 5.409 1.00 0.43 C ATOM 1025 O ASN A 68 2.275 2.235 5.612 1.00 0.50 O ATOM 1026 CB ASN A 68 2.293 0.107 7.614 1.00 0.74 C ATOM 1027 CG ASN A 68 2.529 -1.174 8.390 1.00 0.99 C ATOM 1028 OD1 ASN A 68 1.584 -1.863 8.770 1.00 1.81 O ATOM 1029 ND2 ASN A 68 3.788 -1.492 8.649 1.00 1.60 N ATOM 0 H ASN A 68 4.283 0.282 5.802 1.00 0.42 H new ATOM 0 HA ASN A 68 1.594 -0.946 5.893 1.00 0.49 H new ATOM 0 HB2 ASN A 68 3.080 0.821 7.857 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.350 0.550 7.934 1.00 0.74 H new ATOM 0 HD21 ASN A 68 4.002 -2.335 9.182 1.00 1.60 H new ATOM 0 HD22 ASN A 68 4.544 -0.894 8.316 1.00 1.60 H new ATOM 1036 N ILE A 69 0.740 0.978 4.572 1.00 0.42 N ATOM 1037 CA ILE A 69 0.120 2.105 3.899 1.00 0.41 C ATOM 1038 C ILE A 69 -1.045 2.594 4.733 1.00 0.41 C ATOM 1039 O ILE A 69 -2.085 1.947 4.797 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.368 1.745 2.477 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.129 0.261 2.182 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.333 2.617 1.445 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.563 -0.167 0.798 1.00 0.74 C ATOM 0 H ILE A 69 0.334 0.071 4.340 1.00 0.42 H new ATOM 0 HA ILE A 69 0.871 2.888 3.791 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.440 1.933 2.420 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.932 0.043 2.303 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -0.663 -0.337 2.921 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -0.019 2.354 0.447 1.00 0.81 H new ATOM 0 HG22 ILE A 69 0.111 3.666 1.644 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.410 2.457 1.504 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -0.361 -1.230 0.666 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.631 0.017 0.678 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.010 0.403 0.051 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.871 3.738 5.369 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.811 4.176 6.387 1.00 0.45 C ATOM 1057 C ARG A 70 -2.389 5.538 6.042 1.00 0.39 C ATOM 1058 O ARG A 70 -1.696 6.394 5.490 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.134 4.233 7.761 1.00 0.55 C ATOM 1060 CG ARG A 70 -0.477 2.926 8.178 1.00 1.33 C ATOM 1061 CD ARG A 70 0.167 3.031 9.553 1.00 1.39 C ATOM 1062 NE ARG A 70 -0.823 3.110 10.626 1.00 2.23 N ATOM 1063 CZ ARG A 70 -0.521 3.039 11.922 1.00 2.69 C ATOM 1064 NH1 ARG A 70 0.750 2.977 12.310 1.00 2.42 N ATOM 1065 NH2 ARG A 70 -1.489 3.046 12.831 1.00 3.79 N ATOM 0 H ARG A 70 -0.094 4.377 5.201 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.624 3.450 6.423 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.380 5.021 7.752 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -1.876 4.511 8.510 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -1.222 2.131 8.185 1.00 1.33 H new ATOM 0 HG3 ARG A 70 0.278 2.648 7.443 1.00 1.33 H new ATOM 0 HD2 ARG A 70 0.809 2.166 9.718 1.00 1.39 H new ATOM 0 HD3 ARG A 70 0.806 3.913 9.586 1.00 1.39 H new ATOM 0 HE ARG A 70 -1.803 3.226 10.367 1.00 2.23 H new ATOM 0 HH11 ARG A 70 1.496 2.984 11.615 1.00 2.42 H new ATOM 0 HH12 ARG A 70 0.978 2.923 13.303 1.00 2.42 H new ATOM 0 HH21 ARG A 70 -2.464 3.106 12.537 1.00 3.79 H new ATOM 0 HH22 ARG A 70 -1.258 2.992 13.823 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.675 5.739 6.347 1.00 0.40 N ATOM 1080 CA PRO A 71 -4.356 7.015 6.129 1.00 0.44 C ATOM 1081 C PRO A 71 -3.688 8.147 6.893 1.00 0.47 C ATOM 1082 O PRO A 71 -3.284 7.971 8.044 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.763 6.774 6.680 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.930 5.299 6.671 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.570 4.727 6.926 1.00 0.50 C ATOM 0 HA PRO A 71 -4.341 7.311 5.080 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.867 7.177 7.687 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -6.518 7.261 6.062 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.637 4.982 7.438 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.324 4.957 5.714 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.384 4.585 7.991 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.444 3.755 6.448 1.00 0.50 H new ATOM 1093 N MET A 72 -3.580 9.305 6.257 1.00 0.52 N ATOM 1094 CA MET A 72 -2.946 10.458 6.877 1.00 0.65 C ATOM 1095 C MET A 72 -3.808 11.024 8.010 1.00 0.81 C ATOM 1096 O MET A 72 -4.545 11.988 7.818 1.00 1.66 O ATOM 1097 CB MET A 72 -2.665 11.539 5.829 1.00 0.75 C ATOM 1098 CG MET A 72 -1.944 12.761 6.377 1.00 0.89 C ATOM 1099 SD MET A 72 -1.718 14.045 5.131 1.00 1.54 S ATOM 1100 CE MET A 72 -0.883 15.304 6.092 1.00 1.71 C ATOM 0 H MET A 72 -3.924 9.470 5.311 1.00 0.52 H new ATOM 0 HA MET A 72 -2.000 10.130 7.308 1.00 0.65 H new ATOM 0 HB2 MET A 72 -2.067 11.106 5.027 1.00 0.75 H new ATOM 0 HB3 MET A 72 -3.610 11.855 5.386 1.00 0.75 H new ATOM 0 HG2 MET A 72 -2.510 13.168 7.215 1.00 0.89 H new ATOM 0 HG3 MET A 72 -0.971 12.461 6.766 1.00 0.89 H new ATOM 0 HE1 MET A 72 -0.674 16.166 5.459 1.00 1.71 H new ATOM 0 HE2 MET A 72 -1.519 15.609 6.923 1.00 1.71 H new ATOM 0 HE3 MET A 72 0.053 14.904 6.481 1.00 1.71 H new ATOM 1110 N ASP A 73 -3.743 10.364 9.167 1.00 0.85 N ATOM 1111 CA ASP A 73 -4.367 10.848 10.403 1.00 0.91 C ATOM 1112 C ASP A 73 -5.866 11.125 10.224 1.00 0.97 C ATOM 1113 O ASP A 73 -6.381 12.151 10.666 1.00 1.54 O ATOM 1114 CB ASP A 73 -3.639 12.111 10.877 1.00 1.06 C ATOM 1115 CG ASP A 73 -3.918 12.446 12.327 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -3.317 11.811 13.220 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -4.761 13.328 12.579 1.00 1.92 O ATOM 0 H ASP A 73 -3.255 9.475 9.276 1.00 0.85 H new ATOM 0 HA ASP A 73 -4.279 10.066 11.157 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -2.566 11.978 10.741 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -3.938 12.952 10.252 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.573 10.199 9.593 1.00 0.80 N ATOM 1123 CA ASN A 74 -8.006 10.377 9.361 1.00 0.90 C ATOM 1124 C ASN A 74 -8.832 9.357 10.140 1.00 1.03 C ATOM 1125 O ASN A 74 -9.205 9.598 11.287 1.00 1.89 O ATOM 1126 CB ASN A 74 -8.338 10.292 7.870 1.00 0.90 C ATOM 1127 CG ASN A 74 -8.299 11.637 7.162 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -9.319 12.312 7.035 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -7.129 12.034 6.690 1.00 1.21 N ATOM 0 H ASN A 74 -6.187 9.325 9.235 1.00 0.80 H new ATOM 0 HA ASN A 74 -8.267 11.372 9.721 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -7.633 9.616 7.387 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -9.330 9.856 7.751 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -7.052 12.926 6.202 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -6.304 11.448 6.814 1.00 1.21 H new ATOM 1136 N SER A 75 -9.088 8.209 9.529 1.00 0.90 N ATOM 1137 CA SER A 75 -9.971 7.215 10.121 1.00 0.90 C ATOM 1138 C SER A 75 -9.197 5.948 10.468 1.00 0.84 C ATOM 1139 O SER A 75 -8.063 5.758 10.019 1.00 0.93 O ATOM 1140 CB SER A 75 -11.123 6.890 9.158 1.00 0.93 C ATOM 1141 OG SER A 75 -12.090 6.049 9.767 1.00 1.70 O ATOM 0 H SER A 75 -8.697 7.943 8.625 1.00 0.90 H new ATOM 0 HA SER A 75 -10.387 7.625 11.041 1.00 0.90 H new ATOM 0 HB2 SER A 75 -11.598 7.815 8.832 1.00 0.93 H new ATOM 0 HB3 SER A 75 -10.727 6.404 8.266 1.00 0.93 H new ATOM 0 HG SER A 75 -12.517 5.492 9.083 1.00 1.70 H new ATOM 1147 N ALA A 76 -9.820 5.086 11.260 1.00 0.82 N ATOM 1148 CA ALA A 76 -9.203 3.842 11.680 1.00 0.78 C ATOM 1149 C ALA A 76 -9.435 2.753 10.643 1.00 0.63 C ATOM 1150 O ALA A 76 -10.567 2.326 10.410 1.00 0.77 O ATOM 1151 CB ALA A 76 -9.743 3.411 13.035 1.00 0.94 C ATOM 0 H ALA A 76 -10.761 5.231 11.626 1.00 0.82 H new ATOM 0 HA ALA A 76 -8.129 4.005 11.772 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -9.269 2.476 13.335 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -9.526 4.181 13.775 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -10.821 3.266 12.968 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.357 2.329 10.008 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.421 1.287 8.995 1.00 0.38 C ATOM 1159 C TRP A 77 -7.892 -0.032 9.552 1.00 0.40 C ATOM 1160 O TRP A 77 -6.878 -0.056 10.256 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.598 1.690 7.769 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.220 2.754 6.904 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.846 3.905 7.301 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.246 2.760 5.474 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.264 4.621 6.197 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.904 3.934 5.066 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.775 1.881 4.501 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -9.101 4.246 3.723 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.971 2.188 3.173 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.628 3.364 2.792 1.00 0.42 C ATOM 0 H TRP A 77 -7.419 2.693 10.177 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.463 1.157 8.703 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.622 2.041 8.105 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.425 0.803 7.159 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -8.992 4.208 8.327 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.758 5.513 6.219 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -7.264 0.973 4.784 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.609 5.152 3.428 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.612 1.510 2.413 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.764 3.579 1.742 1.00 0.42 H new ATOM 1181 N THR A 78 -8.585 -1.119 9.241 1.00 0.38 N ATOM 1182 CA THR A 78 -8.146 -2.452 9.618 1.00 0.40 C ATOM 1183 C THR A 78 -6.846 -2.783 8.893 1.00 0.36 C ATOM 1184 O THR A 78 -6.773 -2.706 7.664 1.00 0.37 O ATOM 1185 CB THR A 78 -9.222 -3.496 9.264 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.503 -3.042 9.722 1.00 0.51 O ATOM 1187 CG2 THR A 78 -8.904 -4.846 9.892 1.00 0.49 C ATOM 0 H THR A 78 -9.463 -1.100 8.723 1.00 0.38 H new ATOM 0 HA THR A 78 -7.981 -2.477 10.695 1.00 0.40 H new ATOM 0 HB THR A 78 -9.238 -3.617 8.181 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.186 -3.707 9.494 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.680 -5.563 9.625 1.00 0.49 H new ATOM 0 HG22 THR A 78 -7.941 -5.200 9.525 1.00 0.49 H new ATOM 0 HG23 THR A 78 -8.863 -4.742 10.976 1.00 0.49 H new ATOM 1195 N THR A 79 -5.823 -3.146 9.652 1.00 0.41 N ATOM 1196 CA THR A 79 -4.485 -3.265 9.105 1.00 0.40 C ATOM 1197 C THR A 79 -4.030 -4.718 8.963 1.00 0.38 C ATOM 1198 O THR A 79 -3.728 -5.408 9.940 1.00 0.50 O ATOM 1199 CB THR A 79 -3.473 -2.457 9.955 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.148 -2.580 9.427 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.482 -2.895 11.413 1.00 0.59 C ATOM 0 H THR A 79 -5.896 -3.362 10.646 1.00 0.41 H new ATOM 0 HA THR A 79 -4.519 -2.847 8.099 1.00 0.40 H new ATOM 0 HB THR A 79 -3.783 -1.413 9.908 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.076 -2.061 8.599 1.00 0.53 H new ATOM 0 HG21 THR A 79 -2.759 -2.304 11.975 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.477 -2.745 11.832 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.217 -3.950 11.478 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.034 -5.179 7.731 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.321 -6.383 7.348 1.00 0.32 C ATOM 1211 C ASP A 80 -2.352 -5.998 6.247 1.00 0.36 C ATOM 1212 O ASP A 80 -2.662 -5.121 5.440 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.280 -7.482 6.867 1.00 0.34 C ATOM 1214 CG ASP A 80 -3.547 -8.671 6.274 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -3.055 -9.524 7.039 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -3.450 -8.748 5.036 1.00 1.70 O ATOM 0 H ASP A 80 -4.533 -4.730 6.963 1.00 0.33 H new ATOM 0 HA ASP A 80 -2.792 -6.792 8.209 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -4.893 -7.817 7.704 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.958 -7.068 6.121 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.184 -6.613 6.205 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.181 -6.224 5.222 1.00 0.57 C ATOM 1223 C ASN A 81 -0.561 -6.658 3.810 1.00 0.59 C ATOM 1224 O ASN A 81 0.223 -6.506 2.896 1.00 0.72 O ATOM 1225 CB ASN A 81 1.207 -6.758 5.581 1.00 0.68 C ATOM 1226 CG ASN A 81 1.939 -5.866 6.566 1.00 0.81 C ATOM 1227 OD1 ASN A 81 1.859 -6.052 7.781 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.657 -4.882 6.050 1.00 0.80 N ATOM 0 H ASN A 81 -0.906 -7.372 6.827 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.145 -5.135 5.242 1.00 0.57 H new ATOM 0 HB2 ASN A 81 1.109 -7.757 6.005 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.801 -6.854 4.672 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.168 -4.247 6.664 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.700 -4.758 5.038 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.746 -7.213 3.638 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.257 -7.473 2.309 1.00 0.65 C ATOM 1237 C GLY A 82 -3.666 -6.942 2.140 1.00 0.48 C ATOM 1238 O GLY A 82 -4.184 -6.855 1.023 1.00 0.57 O ATOM 0 H GLY A 82 -2.368 -7.490 4.397 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.602 -7.011 1.570 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -2.246 -8.546 2.118 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.291 -6.597 3.256 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.635 -6.042 3.261 1.00 0.44 C ATOM 1244 C VAL A 83 -5.681 -4.798 4.138 1.00 0.36 C ATOM 1245 O VAL A 83 -5.512 -4.886 5.351 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.669 -7.056 3.801 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -8.062 -6.453 3.781 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.635 -8.355 3.011 1.00 0.67 C ATOM 0 H VAL A 83 -3.880 -6.694 4.184 1.00 0.40 H new ATOM 0 HA VAL A 83 -5.887 -5.795 2.230 1.00 0.44 H new ATOM 0 HB VAL A 83 -6.404 -7.289 4.832 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -8.779 -7.180 4.164 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -8.081 -5.560 4.406 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -8.328 -6.186 2.758 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.374 -9.047 3.416 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.864 -8.151 1.965 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -5.643 -8.800 3.085 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.931 -3.645 3.542 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.942 -2.418 4.312 1.00 0.29 C ATOM 1260 C PHE A 84 -7.204 -1.658 3.986 1.00 0.29 C ATOM 1261 O PHE A 84 -7.277 -0.986 2.962 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.701 -1.574 4.005 1.00 0.33 C ATOM 1263 CG PHE A 84 -4.165 -0.841 5.202 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.831 0.259 5.721 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.990 -1.254 5.810 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.336 0.928 6.825 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.491 -0.589 6.913 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.164 0.505 7.421 1.00 0.36 C ATOM 0 H PHE A 84 -6.125 -3.535 2.547 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.921 -2.651 5.377 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.920 -2.222 3.606 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.946 -0.852 3.226 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.746 0.597 5.258 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.458 -2.107 5.416 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.866 1.782 7.221 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.576 -0.924 7.378 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.775 1.028 8.282 1.00 0.36 H new ATOM 1278 N TYR A 85 -8.210 -1.803 4.831 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.515 -1.237 4.546 1.00 0.34 C ATOM 1280 C TYR A 85 -10.111 -0.592 5.779 1.00 0.34 C ATOM 1281 O TYR A 85 -9.843 -1.008 6.901 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.463 -2.305 3.994 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.905 -3.346 4.999 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -10.022 -4.300 5.480 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -12.217 -3.379 5.452 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -10.431 -5.260 6.385 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.638 -4.337 6.354 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.742 -5.274 6.818 1.00 0.53 C ATOM 1289 OH TYR A 85 -12.159 -6.235 7.711 1.00 0.59 O ATOM 0 H TYR A 85 -8.148 -2.306 5.716 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.383 -0.465 3.788 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.347 -1.812 3.591 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.973 -2.810 3.162 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.996 -4.293 5.141 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.921 -2.643 5.093 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -9.730 -5.995 6.752 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.663 -4.351 6.693 1.00 0.51 H new ATOM 0 HH TYR A 85 -13.109 -6.103 7.914 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.916 0.425 5.559 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.532 1.155 6.647 1.00 0.37 C ATOM 1301 C LYS A 86 -12.805 0.465 7.113 1.00 0.39 C ATOM 1302 O LYS A 86 -13.527 -0.133 6.313 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.819 2.592 6.210 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.709 2.713 4.983 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.588 4.092 4.358 1.00 0.87 C ATOM 1306 CE LYS A 86 -13.802 4.453 3.518 1.00 0.61 C ATOM 1307 NZ LYS A 86 -15.023 4.569 4.348 1.00 1.39 N ATOM 0 H LYS A 86 -11.161 0.767 4.630 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.841 1.176 7.490 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.289 3.123 7.038 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.872 3.092 6.007 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -12.433 1.953 4.252 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.746 2.525 5.261 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -12.459 4.835 5.145 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -11.694 4.129 3.735 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -13.621 5.396 3.002 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -13.953 3.694 2.751 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -15.676 5.250 3.911 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -15.486 3.640 4.416 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -14.765 4.898 5.300 1.00 1.39 H new ATOM 1321 N ASN A 87 -13.066 0.537 8.414 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.274 -0.044 8.986 1.00 0.51 C ATOM 1323 C ASN A 87 -15.494 0.734 8.511 1.00 0.55 C ATOM 1324 O ASN A 87 -16.575 0.174 8.327 1.00 0.83 O ATOM 1325 CB ASN A 87 -14.199 -0.040 10.517 1.00 0.61 C ATOM 1326 CG ASN A 87 -15.377 -0.751 11.160 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.348 -1.967 11.365 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -16.414 -0.001 11.499 1.00 2.12 N ATOM 0 H ASN A 87 -12.456 0.993 9.093 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.361 -1.078 8.652 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -13.273 -0.520 10.833 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -14.162 0.990 10.873 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -17.226 -0.426 11.946 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -16.401 1.002 11.313 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.304 2.034 8.309 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.335 2.884 7.737 1.00 0.54 C ATOM 1337 C ASP A 88 -16.560 2.534 6.277 1.00 0.46 C ATOM 1338 O ASP A 88 -15.616 2.265 5.540 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.965 4.373 7.868 1.00 0.62 C ATOM 1340 CG ASP A 88 -14.490 4.660 7.687 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -13.679 4.226 8.532 1.00 1.62 O ATOM 1342 OD2 ASP A 88 -14.144 5.353 6.709 1.00 2.10 O ATOM 0 H ASP A 88 -14.438 2.522 8.536 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.256 2.710 8.292 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -16.529 4.943 7.129 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -16.276 4.729 8.850 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.809 2.537 5.854 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.126 2.233 4.470 1.00 0.51 C ATOM 1349 C VAL A 89 -18.404 3.512 3.690 1.00 0.51 C ATOM 1350 O VAL A 89 -19.140 4.388 4.143 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.320 1.261 4.339 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -18.961 -0.098 4.920 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.564 1.819 5.016 1.00 0.93 C ATOM 0 H VAL A 89 -18.616 2.745 6.442 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.253 1.736 4.048 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.543 1.142 3.279 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -19.812 -0.772 4.821 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.107 -0.510 4.382 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.707 0.013 5.974 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.386 1.112 4.906 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.361 1.978 6.075 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.836 2.767 4.552 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.777 3.630 2.533 1.00 0.46 N ATOM 1364 CA GLY A 90 -17.950 4.804 1.711 1.00 0.46 C ATOM 1365 C GLY A 90 -16.644 5.252 1.108 1.00 0.39 C ATOM 1366 O GLY A 90 -15.674 4.497 1.102 1.00 0.43 O ATOM 0 H GLY A 90 -17.147 2.927 2.146 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -18.665 4.591 0.916 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.371 5.611 2.311 1.00 0.46 H new ATOM 1370 N SER A 91 -16.608 6.467 0.606 1.00 0.44 N ATOM 1371 CA SER A 91 -15.395 7.012 0.050 1.00 0.50 C ATOM 1372 C SER A 91 -14.552 7.621 1.160 1.00 0.48 C ATOM 1373 O SER A 91 -15.074 8.264 2.072 1.00 0.77 O ATOM 1374 CB SER A 91 -15.725 8.060 -1.015 1.00 0.69 C ATOM 1375 OG SER A 91 -16.549 9.086 -0.487 1.00 1.17 O ATOM 0 H SER A 91 -17.410 7.096 0.573 1.00 0.44 H new ATOM 0 HA SER A 91 -14.826 6.212 -0.424 1.00 0.50 H new ATOM 0 HB2 SER A 91 -14.802 8.493 -1.401 1.00 0.69 H new ATOM 0 HB3 SER A 91 -16.228 7.582 -1.855 1.00 0.69 H new ATOM 0 HG SER A 91 -16.743 9.743 -1.188 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.259 7.381 1.105 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.347 7.980 2.051 1.00 0.45 C ATOM 1383 C TRP A 92 -11.636 9.139 1.366 1.00 0.44 C ATOM 1384 O TRP A 92 -11.804 10.291 1.754 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.363 6.932 2.570 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.420 7.478 3.580 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.651 7.619 4.913 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.102 7.962 3.343 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.559 8.172 5.519 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.589 8.393 4.575 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.306 8.072 2.204 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.312 8.935 4.697 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.047 8.607 2.325 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.558 9.032 3.563 1.00 0.51 C ATOM 0 H TRP A 92 -12.817 6.775 0.414 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.889 8.363 2.916 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -11.919 6.104 3.009 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -10.796 6.526 1.732 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.563 7.336 5.418 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.478 8.386 6.513 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.673 7.742 1.243 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -6.933 9.266 5.652 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.424 8.701 1.448 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.562 9.446 3.624 1.00 0.51 H new ATOM 1405 N GLY A 93 -10.917 8.799 0.298 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.197 9.777 -0.527 1.00 0.49 C ATOM 1407 C GLY A 93 -9.337 10.781 0.237 1.00 0.57 C ATOM 1408 O GLY A 93 -9.841 11.663 0.930 1.00 1.25 O ATOM 0 H GLY A 93 -10.815 7.836 -0.023 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.558 9.236 -1.225 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -10.925 10.328 -1.123 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.035 10.672 0.065 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.115 11.580 0.713 1.00 0.50 C ATOM 1414 C GLY A 94 -5.679 11.217 0.411 1.00 0.50 C ATOM 1415 O GLY A 94 -5.320 11.003 -0.748 1.00 0.72 O ATOM 0 H GLY A 94 -7.592 9.963 -0.519 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.312 12.599 0.380 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.279 11.559 1.790 1.00 0.50 H new ATOM 1419 N THR A 95 -4.861 11.131 1.443 1.00 0.46 N ATOM 1420 CA THR A 95 -3.467 10.757 1.288 1.00 0.45 C ATOM 1421 C THR A 95 -3.119 9.550 2.156 1.00 0.40 C ATOM 1422 O THR A 95 -3.455 9.502 3.341 1.00 0.45 O ATOM 1423 CB THR A 95 -2.549 11.940 1.646 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.072 12.623 2.790 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.426 12.909 0.480 1.00 0.60 C ATOM 0 H THR A 95 -5.141 11.317 2.406 1.00 0.46 H new ATOM 0 HA THR A 95 -3.310 10.486 0.244 1.00 0.45 H new ATOM 0 HB THR A 95 -1.556 11.550 1.871 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.332 12.944 3.346 1.00 0.60 H new ATOM 0 HG21 THR A 95 -1.772 13.735 0.761 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.006 12.390 -0.382 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.412 13.298 0.224 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.477 8.560 1.549 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.016 7.384 2.278 1.00 0.39 C ATOM 1435 C ILE A 96 -0.499 7.386 2.326 1.00 0.40 C ATOM 1436 O ILE A 96 0.160 7.484 1.292 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.482 6.068 1.619 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -3.966 6.134 1.268 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -2.222 4.892 2.541 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -4.881 6.070 2.470 1.00 1.63 C ATOM 0 H ILE A 96 -2.263 8.548 0.552 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.443 7.434 3.280 1.00 0.39 H new ATOM 0 HB ILE A 96 -1.912 5.931 0.700 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -4.160 7.058 0.724 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -4.208 5.311 0.595 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -2.556 3.972 2.061 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -1.155 4.824 2.752 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -2.768 5.033 3.474 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -5.919 6.122 2.141 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -4.716 5.134 3.003 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -4.668 6.908 3.134 1.00 1.63 H new ATOM 1452 N GLY A 97 0.049 7.285 3.517 1.00 0.39 N ATOM 1453 CA GLY A 97 1.482 7.337 3.670 1.00 0.45 C ATOM 1454 C GLY A 97 2.094 5.958 3.705 1.00 0.39 C ATOM 1455 O GLY A 97 1.514 5.034 4.273 1.00 0.37 O ATOM 0 H GLY A 97 -0.473 7.167 4.386 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.915 7.906 2.847 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.730 7.868 4.589 1.00 0.45 H new ATOM 1459 N ILE A 98 3.250 5.804 3.080 1.00 0.38 N ATOM 1460 CA ILE A 98 3.974 4.550 3.151 1.00 0.36 C ATOM 1461 C ILE A 98 4.928 4.585 4.332 1.00 0.38 C ATOM 1462 O ILE A 98 5.892 5.355 4.345 1.00 0.42 O ATOM 1463 CB ILE A 98 4.767 4.243 1.852 1.00 0.41 C ATOM 1464 CG1 ILE A 98 3.826 3.884 0.696 1.00 0.50 C ATOM 1465 CG2 ILE A 98 5.767 3.113 2.076 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.050 5.059 0.135 1.00 0.83 C ATOM 0 H ILE A 98 3.703 6.528 2.522 1.00 0.38 H new ATOM 0 HA ILE A 98 3.238 3.756 3.275 1.00 0.36 H new ATOM 0 HB ILE A 98 5.313 5.148 1.585 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.410 3.433 -0.106 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.120 3.128 1.039 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.309 2.918 1.151 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.472 3.400 2.856 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.235 2.212 2.382 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.409 4.717 -0.678 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.436 5.498 0.921 1.00 0.83 H new ATOM 0 HD13 ILE A 98 3.746 5.808 -0.242 1.00 0.83 H new ATOM 1478 N TYR A 99 4.635 3.767 5.324 1.00 0.42 N ATOM 1479 CA TYR A 99 5.485 3.632 6.490 1.00 0.53 C ATOM 1480 C TYR A 99 6.149 2.265 6.442 1.00 0.44 C ATOM 1481 O TYR A 99 5.523 1.295 6.022 1.00 0.50 O ATOM 1482 CB TYR A 99 4.663 3.764 7.782 1.00 0.73 C ATOM 1483 CG TYR A 99 3.774 4.991 7.858 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.544 5.028 7.212 1.00 0.74 C ATOM 1485 CD2 TYR A 99 4.158 6.105 8.587 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.729 6.141 7.291 1.00 0.82 C ATOM 1487 CE2 TYR A 99 3.347 7.220 8.673 1.00 1.11 C ATOM 1488 CZ TYR A 99 2.135 7.233 8.021 1.00 0.92 C ATOM 1489 OH TYR A 99 1.328 8.343 8.103 1.00 1.28 O ATOM 0 H TYR A 99 3.802 3.178 5.344 1.00 0.42 H new ATOM 0 HA TYR A 99 6.236 4.422 6.485 1.00 0.53 H new ATOM 0 HB2 TYR A 99 4.040 2.876 7.890 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.348 3.778 8.630 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.220 4.172 6.638 1.00 0.74 H new ATOM 0 HD2 TYR A 99 5.110 6.102 9.098 1.00 0.88 H new ATOM 0 HE1 TYR A 99 0.777 6.153 6.781 1.00 0.82 H new ATOM 0 HE2 TYR A 99 3.662 8.077 9.249 1.00 1.11 H new ATOM 0 HH TYR A 99 1.763 9.024 8.658 1.00 1.28 H new ATOM 1499 N VAL A 100 7.401 2.174 6.844 1.00 0.44 N ATOM 1500 CA VAL A 100 8.079 0.890 6.842 1.00 0.40 C ATOM 1501 C VAL A 100 7.627 0.070 8.046 1.00 0.42 C ATOM 1502 O VAL A 100 7.416 0.606 9.133 1.00 0.56 O ATOM 1503 CB VAL A 100 9.617 1.042 6.857 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.103 1.578 8.191 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.295 -0.279 6.525 1.00 0.78 C ATOM 0 H VAL A 100 7.964 2.959 7.172 1.00 0.44 H new ATOM 0 HA VAL A 100 7.812 0.377 5.918 1.00 0.40 H new ATOM 0 HB VAL A 100 9.888 1.766 6.088 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.189 1.674 8.171 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.656 2.555 8.375 1.00 1.14 H new ATOM 0 HG13 VAL A 100 9.814 0.891 8.986 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.377 -0.147 6.542 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.010 -1.030 7.262 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.985 -0.608 5.533 1.00 0.78 H new ATOM 1515 N ASP A 101 7.439 -1.221 7.849 1.00 0.40 N ATOM 1516 CA ASP A 101 7.087 -2.098 8.951 1.00 0.50 C ATOM 1517 C ASP A 101 8.329 -2.388 9.778 1.00 0.59 C ATOM 1518 O ASP A 101 9.059 -3.341 9.504 1.00 0.77 O ATOM 1519 CB ASP A 101 6.478 -3.398 8.433 1.00 0.67 C ATOM 1520 CG ASP A 101 5.870 -4.228 9.540 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.782 -3.859 10.026 1.00 0.93 O ATOM 1522 OD2 ASP A 101 6.465 -5.262 9.918 1.00 1.02 O ATOM 0 H ASP A 101 7.523 -1.684 6.944 1.00 0.40 H new ATOM 0 HA ASP A 101 6.343 -1.604 9.576 1.00 0.50 H new ATOM 0 HB2 ASP A 101 5.712 -3.168 7.692 1.00 0.67 H new ATOM 0 HB3 ASP A 101 7.247 -3.980 7.926 1.00 0.67 H new ATOM 1527 N GLY A 102 8.584 -1.536 10.764 1.00 0.61 N ATOM 1528 CA GLY A 102 9.814 -1.624 11.520 1.00 0.81 C ATOM 1529 C GLY A 102 10.997 -1.129 10.713 1.00 0.85 C ATOM 1530 O GLY A 102 11.424 -1.792 9.766 1.00 1.53 O ATOM 0 H GLY A 102 7.957 -0.785 11.052 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.724 -1.036 12.434 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.984 -2.658 11.821 1.00 0.81 H new ATOM 1534 N GLN A 103 11.507 0.052 11.067 1.00 0.64 N ATOM 1535 CA GLN A 103 12.649 0.643 10.380 1.00 0.60 C ATOM 1536 C GLN A 103 13.777 -0.364 10.174 1.00 0.61 C ATOM 1537 O GLN A 103 14.201 -1.045 11.105 1.00 0.65 O ATOM 1538 CB GLN A 103 13.166 1.871 11.143 1.00 0.71 C ATOM 1539 CG GLN A 103 13.869 1.580 12.468 1.00 1.01 C ATOM 1540 CD GLN A 103 12.942 1.019 13.530 1.00 1.35 C ATOM 1541 OE1 GLN A 103 12.293 1.767 14.257 1.00 1.78 O ATOM 1542 NE2 GLN A 103 12.889 -0.298 13.639 1.00 2.11 N ATOM 0 H GLN A 103 11.141 0.619 11.832 1.00 0.64 H new ATOM 0 HA GLN A 103 12.303 0.957 9.395 1.00 0.60 H new ATOM 0 HB2 GLN A 103 13.857 2.413 10.497 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.324 2.536 11.338 1.00 0.71 H new ATOM 0 HG2 GLN A 103 14.680 0.873 12.293 1.00 1.01 H new ATOM 0 HG3 GLN A 103 14.322 2.499 12.840 1.00 1.01 H new ATOM 0 HE21 GLN A 103 13.444 -0.884 13.015 1.00 2.11 H new ATOM 0 HE22 GLN A 103 12.293 -0.728 14.347 1.00 2.11 H new ATOM 1551 N GLN A 104 14.229 -0.474 8.934 1.00 0.73 N ATOM 1552 CA GLN A 104 15.352 -1.340 8.605 1.00 0.94 C ATOM 1553 C GLN A 104 16.666 -0.566 8.727 1.00 1.02 C ATOM 1554 O GLN A 104 17.741 -1.090 8.443 1.00 1.28 O ATOM 1555 CB GLN A 104 15.180 -1.893 7.187 1.00 1.12 C ATOM 1556 CG GLN A 104 16.200 -2.960 6.812 1.00 1.96 C ATOM 1557 CD GLN A 104 16.115 -4.192 7.695 1.00 1.98 C ATOM 1558 OE1 GLN A 104 15.045 -4.546 8.186 1.00 2.02 O ATOM 1559 NE2 GLN A 104 17.243 -4.847 7.908 1.00 2.62 N ATOM 0 H GLN A 104 13.835 0.026 8.137 1.00 0.73 H new ATOM 0 HA GLN A 104 15.380 -2.175 9.305 1.00 0.94 H new ATOM 0 HB2 GLN A 104 14.178 -2.312 7.090 1.00 1.12 H new ATOM 0 HB3 GLN A 104 15.251 -1.070 6.476 1.00 1.12 H new ATOM 0 HG2 GLN A 104 16.048 -3.252 5.773 1.00 1.96 H new ATOM 0 HG3 GLN A 104 17.203 -2.538 6.881 1.00 1.96 H new ATOM 0 HE21 GLN A 104 18.110 -4.521 7.482 1.00 2.62 H new ATOM 0 HE22 GLN A 104 17.246 -5.679 8.498 1.00 2.62 H new ATOM 1568 N THR A 105 16.557 0.698 9.137 1.00 1.14 N ATOM 1569 CA THR A 105 17.722 1.555 9.361 1.00 1.42 C ATOM 1570 C THR A 105 18.535 1.740 8.067 1.00 1.11 C ATOM 1571 O THR A 105 19.715 2.089 8.097 1.00 1.04 O ATOM 1572 CB THR A 105 18.613 0.967 10.483 1.00 1.90 C ATOM 1573 OG1 THR A 105 17.779 0.505 11.559 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.583 2.010 11.023 1.00 2.43 C ATOM 0 H THR A 105 15.664 1.155 9.322 1.00 1.14 H new ATOM 0 HA THR A 105 17.365 2.536 9.674 1.00 1.42 H new ATOM 0 HB THR A 105 19.189 0.142 10.063 1.00 1.90 H new ATOM 0 HG1 THR A 105 18.340 0.131 12.270 1.00 2.27 H new ATOM 0 HG21 THR A 105 20.194 1.566 11.809 1.00 2.43 H new ATOM 0 HG22 THR A 105 20.227 2.360 10.216 1.00 2.43 H new ATOM 0 HG23 THR A 105 19.023 2.851 11.431 1.00 2.43 H new ATOM 1582 N ASN A 106 17.862 1.541 6.927 1.00 1.04 N ATOM 1583 CA ASN A 106 18.495 1.627 5.610 1.00 0.88 C ATOM 1584 C ASN A 106 19.637 0.615 5.477 1.00 0.81 C ATOM 1585 O ASN A 106 20.766 0.867 5.887 1.00 0.79 O ATOM 1586 CB ASN A 106 18.999 3.053 5.344 1.00 0.97 C ATOM 1587 CG ASN A 106 19.805 3.176 4.060 1.00 0.86 C ATOM 1588 OD1 ASN A 106 21.022 3.004 4.052 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.133 3.487 2.962 1.00 0.80 N ATOM 0 H ASN A 106 16.867 1.317 6.894 1.00 1.04 H new ATOM 0 HA ASN A 106 17.743 1.382 4.860 1.00 0.88 H new ATOM 0 HB2 ASN A 106 18.146 3.729 5.295 1.00 0.97 H new ATOM 0 HB3 ASN A 106 19.614 3.376 6.184 1.00 0.97 H new ATOM 0 HD21 ASN A 106 19.625 3.591 2.075 1.00 0.80 H new ATOM 0 HD22 ASN A 106 18.123 3.623 3.004 1.00 0.80 H new ATOM 1596 N THR A 107 19.322 -0.542 4.931 1.00 0.86 N ATOM 1597 CA THR A 107 20.328 -1.544 4.631 1.00 0.89 C ATOM 1598 C THR A 107 20.587 -1.496 3.129 1.00 0.80 C ATOM 1599 O THR A 107 19.652 -1.189 2.389 1.00 0.86 O ATOM 1600 CB THR A 107 19.855 -2.954 5.079 1.00 1.13 C ATOM 1601 OG1 THR A 107 20.933 -3.894 5.043 1.00 1.68 O ATOM 1602 CG2 THR A 107 18.717 -3.461 4.208 1.00 1.53 C ATOM 0 H THR A 107 18.370 -0.814 4.684 1.00 0.86 H new ATOM 0 HA THR A 107 21.249 -1.337 5.176 1.00 0.89 H new ATOM 0 HB THR A 107 19.497 -2.858 6.104 1.00 1.13 H new ATOM 0 HG1 THR A 107 21.070 -4.199 4.122 1.00 1.68 H new ATOM 0 HG21 THR A 107 18.411 -4.450 4.549 1.00 1.53 H new ATOM 0 HG22 THR A 107 17.872 -2.775 4.277 1.00 1.53 H new ATOM 0 HG23 THR A 107 19.051 -3.522 3.172 1.00 1.53 H new ATOM 1610 N PRO A 108 21.848 -1.752 2.682 1.00 0.82 N ATOM 1611 CA PRO A 108 22.298 -1.624 1.287 1.00 0.84 C ATOM 1612 C PRO A 108 21.179 -1.742 0.251 1.00 0.76 C ATOM 1613 O PRO A 108 20.841 -2.834 -0.208 1.00 0.91 O ATOM 1614 CB PRO A 108 23.284 -2.780 1.170 1.00 1.07 C ATOM 1615 CG PRO A 108 23.879 -2.922 2.541 1.00 1.26 C ATOM 1616 CD PRO A 108 22.961 -2.217 3.519 1.00 0.99 C ATOM 0 HA PRO A 108 22.715 -0.638 1.080 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.783 -3.697 0.860 1.00 1.07 H new ATOM 0 HB3 PRO A 108 24.052 -2.570 0.426 1.00 1.07 H new ATOM 0 HG2 PRO A 108 23.983 -3.974 2.805 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.877 -2.486 2.571 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.617 -2.892 4.303 1.00 0.99 H new ATOM 0 HD3 PRO A 108 23.465 -1.386 4.013 1.00 0.99 H new ATOM 1624 N PRO A 109 20.575 -0.599 -0.100 1.00 0.61 N ATOM 1625 CA PRO A 109 19.388 -0.542 -0.920 1.00 0.56 C ATOM 1626 C PRO A 109 19.629 -0.108 -2.363 1.00 0.57 C ATOM 1627 O PRO A 109 20.760 -0.054 -2.849 1.00 0.76 O ATOM 1628 CB PRO A 109 18.590 0.532 -0.187 1.00 0.59 C ATOM 1629 CG PRO A 109 19.618 1.450 0.416 1.00 0.64 C ATOM 1630 CD PRO A 109 20.953 0.743 0.345 1.00 0.63 C ATOM 0 HA PRO A 109 18.917 -1.519 -1.026 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.935 1.071 -0.872 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.955 0.093 0.583 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.655 2.395 -0.127 1.00 0.64 H new ATOM 0 HG3 PRO A 109 19.363 1.686 1.449 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.632 1.227 -0.357 1.00 0.63 H new ATOM 0 HD3 PRO A 109 21.454 0.724 1.313 1.00 0.63 H new ATOM 1638 N GLY A 110 18.528 0.210 -3.025 1.00 0.49 N ATOM 1639 CA GLY A 110 18.551 0.689 -4.385 1.00 0.58 C ATOM 1640 C GLY A 110 17.156 1.072 -4.821 1.00 0.54 C ATOM 1641 O GLY A 110 16.519 1.919 -4.194 1.00 0.76 O ATOM 0 H GLY A 110 17.592 0.140 -2.626 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.215 1.550 -4.465 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.948 -0.083 -5.044 1.00 0.58 H new ATOM 1645 N ASN A 111 16.667 0.438 -5.869 1.00 0.45 N ATOM 1646 CA ASN A 111 15.294 0.639 -6.305 1.00 0.44 C ATOM 1647 C ASN A 111 14.379 -0.405 -5.672 1.00 0.42 C ATOM 1648 O ASN A 111 14.603 -1.610 -5.815 1.00 0.58 O ATOM 1649 CB ASN A 111 15.198 0.560 -7.833 1.00 0.56 C ATOM 1650 CG ASN A 111 13.780 0.745 -8.345 1.00 1.10 C ATOM 1651 OD1 ASN A 111 12.973 1.447 -7.738 1.00 2.04 O ATOM 1652 ND2 ASN A 111 13.472 0.122 -9.475 1.00 1.41 N ATOM 0 H ASN A 111 17.199 -0.222 -6.437 1.00 0.45 H new ATOM 0 HA ASN A 111 14.974 1.631 -5.985 1.00 0.44 H new ATOM 0 HB2 ASN A 111 15.840 1.323 -8.273 1.00 0.56 H new ATOM 0 HB3 ASN A 111 15.577 -0.406 -8.167 1.00 0.56 H new ATOM 0 HD21 ASN A 111 12.537 0.216 -9.871 1.00 1.41 H new ATOM 0 HD22 ASN A 111 14.171 -0.451 -9.948 1.00 1.41 H new ATOM 1659 N TYR A 112 13.370 0.064 -4.950 1.00 0.35 N ATOM 1660 CA TYR A 112 12.370 -0.813 -4.363 1.00 0.37 C ATOM 1661 C TYR A 112 11.011 -0.530 -4.968 1.00 0.42 C ATOM 1662 O TYR A 112 10.521 0.598 -4.938 1.00 0.55 O ATOM 1663 CB TYR A 112 12.305 -0.660 -2.841 1.00 0.40 C ATOM 1664 CG TYR A 112 13.547 -1.157 -2.143 1.00 0.40 C ATOM 1665 CD1 TYR A 112 13.732 -2.514 -1.916 1.00 0.68 C ATOM 1666 CD2 TYR A 112 14.545 -0.283 -1.733 1.00 0.64 C ATOM 1667 CE1 TYR A 112 14.876 -2.983 -1.303 1.00 0.75 C ATOM 1668 CE2 TYR A 112 15.684 -0.747 -1.120 1.00 0.67 C ATOM 1669 CZ TYR A 112 15.848 -2.096 -0.912 1.00 0.59 C ATOM 1670 OH TYR A 112 16.991 -2.550 -0.303 1.00 0.69 O ATOM 0 H TYR A 112 13.223 1.055 -4.757 1.00 0.35 H new ATOM 0 HA TYR A 112 12.661 -1.840 -4.583 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.152 0.390 -2.594 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.440 -1.206 -2.463 1.00 0.40 H new ATOM 0 HD1 TYR A 112 12.969 -3.213 -2.224 1.00 0.68 H new ATOM 0 HD2 TYR A 112 14.424 0.777 -1.898 1.00 0.64 H new ATOM 0 HE1 TYR A 112 15.006 -4.041 -1.132 1.00 0.75 H new ATOM 0 HE2 TYR A 112 16.449 -0.053 -0.802 1.00 0.67 H new ATOM 0 HH TYR A 112 17.461 -3.164 -0.905 1.00 0.69 H new ATOM 1680 N THR A 113 10.413 -1.561 -5.518 1.00 0.38 N ATOM 1681 CA THR A 113 9.143 -1.429 -6.184 1.00 0.46 C ATOM 1682 C THR A 113 8.011 -1.897 -5.279 1.00 0.51 C ATOM 1683 O THR A 113 8.162 -2.856 -4.524 1.00 0.83 O ATOM 1684 CB THR A 113 9.144 -2.246 -7.483 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.335 -1.956 -8.223 1.00 0.66 O ATOM 1686 CG2 THR A 113 7.929 -1.932 -8.337 1.00 0.74 C ATOM 0 H THR A 113 10.792 -2.508 -5.516 1.00 0.38 H new ATOM 0 HA THR A 113 8.986 -0.377 -6.421 1.00 0.46 H new ATOM 0 HB THR A 113 9.110 -3.304 -7.221 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.340 -2.478 -9.053 1.00 0.66 H new ATOM 0 HG21 THR A 113 7.962 -2.528 -9.249 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.022 -2.169 -7.781 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.930 -0.873 -8.595 1.00 0.74 H new ATOM 1694 N LEU A 114 6.906 -1.180 -5.315 1.00 0.34 N ATOM 1695 CA LEU A 114 5.706 -1.589 -4.612 1.00 0.38 C ATOM 1696 C LEU A 114 4.479 -1.227 -5.440 1.00 0.40 C ATOM 1697 O LEU A 114 3.967 -0.111 -5.374 1.00 0.47 O ATOM 1698 CB LEU A 114 5.632 -0.972 -3.202 1.00 0.43 C ATOM 1699 CG LEU A 114 6.303 0.394 -3.017 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.643 1.157 -1.880 1.00 0.51 C ATOM 1701 CD2 LEU A 114 7.787 0.235 -2.732 1.00 0.41 C ATOM 0 H LEU A 114 6.814 -0.303 -5.828 1.00 0.34 H new ATOM 0 HA LEU A 114 5.736 -2.670 -4.479 1.00 0.38 H new ATOM 0 HB2 LEU A 114 4.582 -0.876 -2.926 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.084 -1.672 -2.499 1.00 0.43 H new ATOM 0 HG LEU A 114 6.184 0.955 -3.944 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.130 2.125 -1.760 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.588 1.307 -2.107 1.00 0.51 H new ATOM 0 HD13 LEU A 114 5.738 0.587 -0.956 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.240 1.218 -2.605 1.00 0.41 H new ATOM 0 HD22 LEU A 114 7.922 -0.348 -1.821 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.265 -0.280 -3.566 1.00 0.41 H new ATOM 1713 N THR A 115 4.037 -2.176 -6.252 1.00 0.42 N ATOM 1714 CA THR A 115 2.920 -1.958 -7.154 1.00 0.45 C ATOM 1715 C THR A 115 1.596 -2.243 -6.456 1.00 0.44 C ATOM 1716 O THR A 115 1.325 -3.367 -6.042 1.00 0.47 O ATOM 1717 CB THR A 115 3.046 -2.841 -8.410 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.333 -2.639 -9.016 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.951 -2.514 -9.419 1.00 0.59 C ATOM 0 H THR A 115 4.440 -3.112 -6.303 1.00 0.42 H new ATOM 0 HA THR A 115 2.941 -0.911 -7.457 1.00 0.45 H new ATOM 0 HB THR A 115 2.939 -3.883 -8.109 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.933 -3.371 -8.761 1.00 0.56 H new ATOM 0 HG21 THR A 115 2.063 -3.151 -10.296 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.975 -2.688 -8.966 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.031 -1.469 -9.717 1.00 0.59 H new ATOM 1727 N LEU A 116 0.776 -1.219 -6.329 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.503 -1.349 -5.661 1.00 0.47 C ATOM 1729 C LEU A 116 -1.624 -1.493 -6.678 1.00 0.48 C ATOM 1730 O LEU A 116 -1.618 -0.842 -7.723 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.753 -0.130 -4.777 1.00 0.54 C ATOM 1732 CG LEU A 116 0.259 0.077 -3.648 1.00 0.61 C ATOM 1733 CD1 LEU A 116 -0.079 1.334 -2.862 1.00 1.27 C ATOM 1734 CD2 LEU A 116 0.289 -1.139 -2.732 1.00 1.05 C ATOM 0 H LEU A 116 0.974 -0.283 -6.682 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.482 -2.244 -5.040 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.758 0.760 -5.406 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.748 -0.216 -4.340 1.00 0.54 H new ATOM 0 HG LEU A 116 1.250 0.200 -4.085 1.00 0.61 H new ATOM 0 HD11 LEU A 116 0.649 1.469 -2.062 1.00 1.27 H new ATOM 0 HD12 LEU A 116 -0.052 2.197 -3.527 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -1.076 1.238 -2.433 1.00 1.27 H new ATOM 0 HD21 LEU A 116 1.014 -0.976 -1.934 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -0.699 -1.293 -2.299 1.00 1.05 H new ATOM 0 HD23 LEU A 116 0.574 -2.020 -3.307 1.00 1.05 H new ATOM 1746 N THR A 117 -2.575 -2.353 -6.373 1.00 0.44 N ATOM 1747 CA THR A 117 -3.724 -2.554 -7.228 1.00 0.48 C ATOM 1748 C THR A 117 -4.959 -1.933 -6.588 1.00 0.58 C ATOM 1749 O THR A 117 -5.453 -2.419 -5.566 1.00 0.70 O ATOM 1750 CB THR A 117 -3.968 -4.053 -7.484 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.753 -4.672 -7.932 1.00 0.56 O ATOM 1752 CG2 THR A 117 -5.055 -4.256 -8.528 1.00 0.57 C ATOM 0 H THR A 117 -2.572 -2.928 -5.531 1.00 0.44 H new ATOM 0 HA THR A 117 -3.526 -2.071 -8.185 1.00 0.48 H new ATOM 0 HB THR A 117 -4.294 -4.511 -6.550 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.912 -5.626 -8.092 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.208 -5.323 -8.691 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.984 -3.805 -8.179 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.753 -3.786 -9.464 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.434 -0.843 -7.175 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.593 -0.159 -6.641 1.00 0.79 C ATOM 1762 C GLY A 118 -7.844 -0.996 -6.769 1.00 0.64 C ATOM 1763 O GLY A 118 -8.141 -1.510 -7.845 1.00 0.80 O ATOM 0 H GLY A 118 -5.036 -0.420 -8.013 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.422 0.082 -5.592 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.732 0.786 -7.166 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.567 -1.148 -5.675 1.00 0.52 N ATOM 1768 CA GLY A 119 -9.777 -1.934 -5.694 1.00 0.50 C ATOM 1769 C GLY A 119 -10.559 -1.789 -4.415 1.00 0.44 C ATOM 1770 O GLY A 119 -10.049 -1.263 -3.428 1.00 0.53 O ATOM 0 H GLY A 119 -8.336 -0.739 -4.770 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.397 -1.626 -6.536 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.526 -2.983 -5.850 1.00 0.50 H new ATOM 1774 N TYR A 120 -11.790 -2.258 -4.424 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.621 -2.181 -3.241 1.00 0.41 C ATOM 1776 C TYR A 120 -12.681 -3.533 -2.561 1.00 0.43 C ATOM 1777 O TYR A 120 -12.378 -4.561 -3.166 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.035 -1.688 -3.574 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.854 -2.629 -4.432 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.601 -3.646 -3.853 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -14.866 -2.511 -5.821 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -16.339 -4.519 -4.628 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.604 -3.380 -6.600 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.378 -4.330 -6.017 1.00 0.78 C ATOM 1785 OH TYR A 120 -17.067 -5.251 -6.774 1.00 0.89 O ATOM 0 H TYR A 120 -12.235 -2.694 -5.232 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.172 -1.456 -2.562 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.571 -1.511 -2.642 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -13.958 -0.728 -4.085 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.605 -3.756 -2.779 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.290 -1.729 -6.294 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.878 -5.335 -4.171 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.565 -3.303 -7.677 1.00 0.73 H new ATOM 0 HH TYR A 120 -17.016 -5.001 -7.720 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.070 -3.518 -1.310 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.167 -4.722 -0.517 1.00 0.40 C ATOM 1797 C TRP A 121 -14.617 -4.922 -0.055 1.00 0.48 C ATOM 1798 O TRP A 121 -15.382 -3.961 0.070 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.192 -4.616 0.671 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.460 -5.580 1.777 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.467 -5.495 2.674 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.717 -6.752 2.121 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.428 -6.550 3.532 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -12.361 -7.331 3.224 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.584 -7.379 1.606 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.916 -8.493 3.822 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -10.140 -8.543 2.214 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.807 -9.084 3.307 1.00 0.51 C ATOM 0 H TRP A 121 -13.330 -2.668 -0.810 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.890 -5.595 -1.109 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.177 -4.773 0.307 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.234 -3.603 1.071 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -14.199 -4.702 2.705 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -14.093 -6.726 4.285 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -10.064 -6.968 0.753 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -12.432 -8.918 4.670 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -9.260 -9.039 1.832 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -10.436 -9.993 3.756 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.985 -6.175 0.162 1.00 0.57 N ATOM 1820 CA ALA A 122 -16.289 -6.534 0.679 1.00 0.73 C ATOM 1821 C ALA A 122 -16.148 -7.581 1.791 1.00 0.90 C ATOM 1822 O ALA A 122 -15.347 -8.513 1.674 1.00 1.42 O ATOM 1823 CB ALA A 122 -17.173 -7.067 -0.437 1.00 0.94 C ATOM 0 H ALA A 122 -14.379 -6.976 -0.018 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.756 -5.641 1.095 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -18.150 -7.332 -0.032 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.294 -6.301 -1.203 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.710 -7.950 -0.877 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.913 -7.387 2.864 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.999 -8.322 4.000 1.00 0.97 C ATOM 1831 C LYS A 123 -15.840 -8.111 4.972 1.00 0.83 C ATOM 1832 O LYS A 123 -15.408 -6.979 5.174 1.00 0.86 O ATOM 1833 CB LYS A 123 -17.079 -9.776 3.527 1.00 1.10 C ATOM 1834 CG LYS A 123 -18.303 -10.063 2.665 1.00 1.83 C ATOM 1835 CD LYS A 123 -19.598 -9.734 3.391 1.00 1.97 C ATOM 1836 CE LYS A 123 -20.803 -9.925 2.483 1.00 2.89 C ATOM 1837 NZ LYS A 123 -22.076 -9.591 3.175 1.00 3.47 N ATOM 0 H LYS A 123 -17.503 -6.563 2.977 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.924 -8.108 4.536 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -16.180 -10.016 2.960 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -17.093 -10.433 4.396 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -18.244 -9.480 1.746 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -18.305 -11.114 2.377 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -19.697 -10.371 4.270 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -19.567 -8.704 3.746 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -20.695 -9.297 1.599 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -20.838 -10.958 2.138 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -22.873 -9.734 2.523 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -22.192 -10.207 4.005 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -22.054 -8.598 3.482 1.00 3.47 H new ATOM 1851 N ASP A 124 -15.348 -9.172 5.610 1.00 0.82 N ATOM 1852 CA ASP A 124 -14.264 -9.003 6.577 1.00 0.81 C ATOM 1853 C ASP A 124 -13.316 -10.203 6.635 1.00 0.71 C ATOM 1854 O ASP A 124 -13.721 -11.322 6.947 1.00 0.74 O ATOM 1855 CB ASP A 124 -14.824 -8.701 7.977 1.00 1.07 C ATOM 1856 CG ASP A 124 -15.585 -9.863 8.589 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -16.703 -10.167 8.115 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -15.069 -10.476 9.545 1.00 2.08 O ATOM 0 H ASP A 124 -15.671 -10.131 5.481 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.677 -8.153 6.230 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -14.001 -8.428 8.638 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -15.485 -7.836 7.916 1.00 1.07 H new ATOM 1863 N ASN A 125 -12.051 -9.936 6.283 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.921 -10.876 6.417 1.00 0.73 C ATOM 1865 C ASN A 125 -11.045 -12.135 5.546 1.00 0.73 C ATOM 1866 O ASN A 125 -10.046 -12.785 5.250 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.722 -11.244 7.884 1.00 0.87 C ATOM 1868 CG ASN A 125 -9.567 -12.201 8.116 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -9.743 -13.417 8.123 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -8.376 -11.658 8.315 1.00 2.40 N ATOM 0 H ASN A 125 -11.774 -9.038 5.886 1.00 0.70 H new ATOM 0 HA ASN A 125 -10.040 -10.354 6.043 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -10.551 -10.334 8.459 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -11.639 -11.694 8.265 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -7.565 -12.254 8.481 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -8.269 -10.644 8.302 1.00 2.40 H new ATOM 1877 N LYS A 126 -12.252 -12.452 5.109 1.00 0.66 N ATOM 1878 CA LYS A 126 -12.503 -13.630 4.282 1.00 0.76 C ATOM 1879 C LYS A 126 -11.899 -13.474 2.888 1.00 0.76 C ATOM 1880 O LYS A 126 -11.972 -14.386 2.065 1.00 1.09 O ATOM 1881 CB LYS A 126 -14.009 -13.881 4.189 1.00 0.84 C ATOM 1882 CG LYS A 126 -14.794 -12.791 3.471 1.00 0.82 C ATOM 1883 CD LYS A 126 -15.061 -13.163 2.022 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.990 -12.169 1.355 1.00 1.39 C ATOM 1885 NZ LYS A 126 -16.400 -12.611 -0.004 1.00 1.96 N ATOM 0 H LYS A 126 -13.087 -11.904 5.315 1.00 0.66 H new ATOM 0 HA LYS A 126 -12.022 -14.488 4.752 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -14.174 -14.828 3.674 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -14.408 -13.992 5.197 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -15.740 -12.623 3.985 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -14.239 -11.854 3.511 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -14.118 -13.204 1.476 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -15.500 -14.160 1.976 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -16.877 -12.031 1.974 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -15.495 -11.200 1.287 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -17.035 -11.902 -0.423 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -15.557 -12.718 -0.603 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -16.896 -13.523 0.062 1.00 1.96 H new ATOM 1899 N GLN A 127 -11.320 -12.302 2.650 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.742 -11.941 1.367 1.00 0.64 C ATOM 1901 C GLN A 127 -11.834 -11.691 0.339 1.00 0.63 C ATOM 1902 O GLN A 127 -12.052 -12.484 -0.573 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.748 -12.998 0.862 1.00 0.79 C ATOM 1904 CG GLN A 127 -9.135 -12.660 -0.490 1.00 1.28 C ATOM 1905 CD GLN A 127 -8.142 -13.708 -0.964 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -8.246 -14.885 -0.622 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -7.180 -13.289 -1.774 1.00 1.62 N ATOM 0 H GLN A 127 -11.240 -11.569 3.354 1.00 0.63 H new ATOM 0 HA GLN A 127 -10.181 -11.018 1.512 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.950 -13.114 1.595 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -10.257 -13.959 0.791 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -9.930 -12.558 -1.229 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -8.634 -11.694 -0.426 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.126 -12.305 -2.035 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -6.494 -13.951 -2.136 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.569 -10.607 0.532 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.457 -10.139 -0.494 1.00 0.50 C ATOM 1918 C GLY A 128 -12.965 -8.827 -1.041 1.00 0.45 C ATOM 1919 O GLY A 128 -13.133 -7.809 -0.403 1.00 0.77 O ATOM 0 H GLY A 128 -12.562 -10.047 1.384 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.521 -10.875 -1.295 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -14.462 -10.020 -0.090 1.00 0.50 H new ATOM 1923 N PHE A 129 -12.292 -8.840 -2.174 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.873 -7.593 -2.788 1.00 0.63 C ATOM 1925 C PHE A 129 -11.939 -7.701 -4.306 1.00 0.58 C ATOM 1926 O PHE A 129 -11.692 -8.769 -4.872 1.00 0.63 O ATOM 1927 CB PHE A 129 -10.460 -7.188 -2.335 1.00 0.72 C ATOM 1928 CG PHE A 129 -9.367 -8.160 -2.689 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.791 -8.151 -3.952 1.00 0.75 C ATOM 1930 CD2 PHE A 129 -8.898 -9.065 -1.752 1.00 1.02 C ATOM 1931 CE1 PHE A 129 -7.776 -9.031 -4.273 1.00 0.89 C ATOM 1932 CE2 PHE A 129 -7.880 -9.944 -2.068 1.00 1.21 C ATOM 1933 CZ PHE A 129 -7.320 -9.927 -3.330 1.00 1.14 C ATOM 0 H PHE A 129 -12.026 -9.684 -2.682 1.00 0.61 H new ATOM 0 HA PHE A 129 -12.560 -6.812 -2.461 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -10.219 -6.220 -2.775 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -10.468 -7.054 -1.253 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.141 -7.447 -4.693 1.00 0.75 H new ATOM 0 HD2 PHE A 129 -9.333 -9.084 -0.763 1.00 1.02 H new ATOM 0 HE1 PHE A 129 -7.340 -9.017 -5.261 1.00 0.89 H new ATOM 0 HE2 PHE A 129 -7.522 -10.644 -1.328 1.00 1.21 H new ATOM 0 HZ PHE A 129 -6.525 -10.615 -3.578 1.00 1.14 H new ATOM 1943 N THR A 130 -12.275 -6.601 -4.956 1.00 0.61 N ATOM 1944 CA THR A 130 -12.343 -6.556 -6.405 1.00 0.63 C ATOM 1945 C THR A 130 -11.607 -5.323 -6.924 1.00 0.60 C ATOM 1946 O THR A 130 -11.986 -4.190 -6.617 1.00 0.67 O ATOM 1947 CB THR A 130 -13.807 -6.530 -6.896 1.00 0.73 C ATOM 1948 OG1 THR A 130 -14.540 -7.615 -6.307 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.878 -6.635 -8.413 1.00 0.90 C ATOM 0 H THR A 130 -12.507 -5.720 -4.498 1.00 0.61 H new ATOM 0 HA THR A 130 -11.867 -7.457 -6.792 1.00 0.63 H new ATOM 0 HB THR A 130 -14.248 -5.580 -6.593 1.00 0.73 H new ATOM 0 HG1 THR A 130 -15.468 -7.592 -6.621 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.920 -6.614 -8.731 1.00 0.90 H new ATOM 0 HG22 THR A 130 -13.345 -5.796 -8.861 1.00 0.90 H new ATOM 0 HG23 THR A 130 -13.419 -7.570 -8.735 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.525 -5.532 -7.691 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.724 -4.440 -8.250 1.00 0.65 C ATOM 1959 C PRO A 131 -10.539 -3.542 -9.176 1.00 0.63 C ATOM 1960 O PRO A 131 -11.159 -4.010 -10.134 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.614 -5.154 -9.029 1.00 0.80 C ATOM 1962 CG PRO A 131 -8.589 -6.543 -8.489 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.999 -6.848 -8.076 1.00 0.75 C ATOM 0 HA PRO A 131 -9.345 -3.779 -7.471 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.820 -5.151 -10.099 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.653 -4.659 -8.888 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -8.241 -7.249 -9.243 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -7.908 -6.621 -7.641 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.572 -7.288 -8.892 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -10.032 -7.554 -7.246 1.00 0.75 H new ATOM 1971 N SER A 132 -10.531 -2.254 -8.878 1.00 0.55 N ATOM 1972 CA SER A 132 -11.273 -1.275 -9.646 1.00 0.57 C ATOM 1973 C SER A 132 -10.568 0.075 -9.543 1.00 0.56 C ATOM 1974 O SER A 132 -10.730 0.804 -8.562 1.00 0.73 O ATOM 1975 CB SER A 132 -12.711 -1.180 -9.138 1.00 0.64 C ATOM 1976 OG SER A 132 -13.559 -0.571 -10.098 1.00 1.52 O ATOM 0 H SER A 132 -10.009 -1.860 -8.096 1.00 0.55 H new ATOM 0 HA SER A 132 -11.310 -1.580 -10.692 1.00 0.57 H new ATOM 0 HB2 SER A 132 -13.082 -2.178 -8.903 1.00 0.64 H new ATOM 0 HB3 SER A 132 -12.734 -0.605 -8.212 1.00 0.64 H new ATOM 0 HG SER A 132 -13.911 0.269 -9.737 1.00 1.52 H new ATOM 1982 N GLY A 133 -9.750 0.372 -10.540 1.00 0.54 N ATOM 1983 CA GLY A 133 -8.959 1.582 -10.530 1.00 0.57 C ATOM 1984 C GLY A 133 -7.790 1.468 -11.482 1.00 0.62 C ATOM 1985 O GLY A 133 -7.985 1.393 -12.694 1.00 1.17 O ATOM 0 H GLY A 133 -9.620 -0.212 -11.366 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -9.582 2.431 -10.812 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -8.594 1.775 -9.521 1.00 0.57 H new ATOM 1989 N THR A 134 -6.578 1.434 -10.948 1.00 0.62 N ATOM 1990 CA THR A 134 -5.395 1.268 -11.775 1.00 0.97 C ATOM 1991 C THR A 134 -4.337 0.440 -11.056 1.00 0.68 C ATOM 1992 O THR A 134 -4.486 0.110 -9.876 1.00 0.95 O ATOM 1993 CB THR A 134 -4.800 2.636 -12.157 1.00 1.77 C ATOM 1994 OG1 THR A 134 -5.124 3.602 -11.148 1.00 2.38 O ATOM 1995 CG2 THR A 134 -5.319 3.106 -13.506 1.00 2.47 C ATOM 0 H THR A 134 -6.390 1.519 -9.949 1.00 0.62 H new ATOM 0 HA THR A 134 -5.699 0.743 -12.681 1.00 0.97 H new ATOM 0 HB THR A 134 -3.718 2.529 -12.230 1.00 1.77 H new ATOM 0 HG1 THR A 134 -4.316 4.096 -10.897 1.00 2.38 H new ATOM 0 HG21 THR A 134 -4.881 4.074 -13.747 1.00 2.47 H new ATOM 0 HG22 THR A 134 -5.045 2.382 -14.274 1.00 2.47 H new ATOM 0 HG23 THR A 134 -6.404 3.199 -13.466 1.00 2.47 H new ATOM 2003 N THR A 135 -3.287 0.078 -11.774 1.00 0.72 N ATOM 2004 CA THR A 135 -2.140 -0.548 -11.167 1.00 0.70 C ATOM 2005 C THR A 135 -1.062 0.501 -10.929 1.00 0.64 C ATOM 2006 O THR A 135 -0.301 0.840 -11.835 1.00 0.88 O ATOM 2007 CB THR A 135 -1.593 -1.667 -12.064 1.00 1.08 C ATOM 2008 OG1 THR A 135 -2.373 -1.748 -13.266 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.617 -3.005 -11.341 1.00 1.27 C ATOM 0 H THR A 135 -3.212 0.211 -12.783 1.00 0.72 H new ATOM 0 HA THR A 135 -2.440 -0.989 -10.217 1.00 0.70 H new ATOM 0 HB THR A 135 -0.558 -1.433 -12.315 1.00 1.08 H new ATOM 0 HG1 THR A 135 -2.020 -2.462 -13.837 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.224 -3.781 -11.998 1.00 1.27 H new ATOM 0 HG22 THR A 135 -1.002 -2.945 -10.443 1.00 1.27 H new ATOM 0 HG23 THR A 135 -2.642 -3.250 -11.063 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.021 1.033 -9.719 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.116 2.119 -9.419 1.00 0.58 C ATOM 2019 C GLY A 136 1.151 1.638 -8.757 1.00 0.45 C ATOM 2020 O GLY A 136 1.120 1.139 -7.633 1.00 0.67 O ATOM 0 H GLY A 136 -1.601 0.730 -8.936 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.135 2.646 -10.340 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.615 2.836 -8.767 1.00 0.58 H new ATOM 2024 N THR A 137 2.265 1.775 -9.447 1.00 0.38 N ATOM 2025 CA THR A 137 3.534 1.350 -8.903 1.00 0.33 C ATOM 2026 C THR A 137 4.182 2.480 -8.111 1.00 0.33 C ATOM 2027 O THR A 137 4.647 3.471 -8.679 1.00 0.39 O ATOM 2028 CB THR A 137 4.491 0.872 -10.014 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.939 -0.279 -10.673 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.861 0.525 -9.450 1.00 0.50 C ATOM 0 H THR A 137 2.315 2.177 -10.383 1.00 0.38 H new ATOM 0 HA THR A 137 3.341 0.511 -8.235 1.00 0.33 H new ATOM 0 HB THR A 137 4.609 1.686 -10.729 1.00 0.42 H new ATOM 0 HG1 THR A 137 4.116 -1.080 -10.136 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.513 0.191 -10.257 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.293 1.406 -8.975 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.760 -0.271 -8.713 1.00 0.50 H new ATOM 2038 N THR A 138 4.178 2.345 -6.798 1.00 0.32 N ATOM 2039 CA THR A 138 4.904 3.263 -5.952 1.00 0.36 C ATOM 2040 C THR A 138 6.374 2.870 -5.986 1.00 0.37 C ATOM 2041 O THR A 138 6.726 1.733 -5.673 1.00 0.38 O ATOM 2042 CB THR A 138 4.376 3.222 -4.508 1.00 0.39 C ATOM 2043 OG1 THR A 138 2.944 3.280 -4.521 1.00 0.40 O ATOM 2044 CG2 THR A 138 4.920 4.389 -3.697 1.00 0.52 C ATOM 0 H THR A 138 3.680 1.608 -6.298 1.00 0.32 H new ATOM 0 HA THR A 138 4.771 4.281 -6.318 1.00 0.36 H new ATOM 0 HB THR A 138 4.708 2.293 -4.046 1.00 0.39 H new ATOM 0 HG1 THR A 138 2.607 3.252 -3.601 1.00 0.40 H new ATOM 0 HG21 THR A 138 4.532 4.337 -2.680 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.009 4.339 -3.673 1.00 0.52 H new ATOM 0 HG23 THR A 138 4.610 5.327 -4.156 1.00 0.52 H new ATOM 2052 N LYS A 139 7.222 3.779 -6.418 1.00 0.41 N ATOM 2053 CA LYS A 139 8.617 3.447 -6.611 1.00 0.44 C ATOM 2054 C LYS A 139 9.486 4.168 -5.600 1.00 0.44 C ATOM 2055 O LYS A 139 9.650 5.386 -5.650 1.00 0.49 O ATOM 2056 CB LYS A 139 9.036 3.783 -8.042 1.00 0.53 C ATOM 2057 CG LYS A 139 10.429 3.300 -8.408 1.00 0.59 C ATOM 2058 CD LYS A 139 10.734 3.560 -9.873 1.00 1.21 C ATOM 2059 CE LYS A 139 9.775 2.813 -10.789 1.00 1.33 C ATOM 2060 NZ LYS A 139 9.978 3.177 -12.215 1.00 2.18 N ATOM 0 H LYS A 139 6.974 4.743 -6.640 1.00 0.41 H new ATOM 0 HA LYS A 139 8.752 2.377 -6.454 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.317 3.343 -8.733 1.00 0.53 H new ATOM 0 HB3 LYS A 139 8.990 4.863 -8.179 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.167 3.805 -7.785 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.513 2.233 -8.200 1.00 0.59 H new ATOM 0 HD2 LYS A 139 10.670 4.629 -10.074 1.00 1.21 H new ATOM 0 HD3 LYS A 139 11.757 3.255 -10.091 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.915 1.739 -10.664 1.00 1.33 H new ATOM 0 HE3 LYS A 139 8.748 3.036 -10.500 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.307 2.648 -12.807 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 9.819 4.197 -12.339 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.950 2.941 -12.499 1.00 2.18 H new ATOM 2074 N LEU A 140 10.020 3.397 -4.676 1.00 0.45 N ATOM 2075 CA LEU A 140 10.915 3.910 -3.663 1.00 0.44 C ATOM 2076 C LEU A 140 12.362 3.635 -4.066 1.00 0.39 C ATOM 2077 O LEU A 140 12.862 2.519 -3.940 1.00 0.40 O ATOM 2078 CB LEU A 140 10.575 3.284 -2.300 1.00 0.46 C ATOM 2079 CG LEU A 140 11.711 3.262 -1.273 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.186 4.673 -0.956 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.271 2.559 -0.001 1.00 0.62 C ATOM 0 H LEU A 140 9.844 2.395 -4.607 1.00 0.45 H new ATOM 0 HA LEU A 140 10.792 4.989 -3.573 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.734 3.829 -1.871 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.241 2.260 -2.465 1.00 0.46 H new ATOM 0 HG LEU A 140 12.543 2.708 -1.707 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.993 4.630 -0.224 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.548 5.148 -1.868 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.358 5.253 -0.549 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.093 2.554 0.715 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.418 3.084 0.429 1.00 0.62 H new ATOM 0 HD23 LEU A 140 10.986 1.533 -0.232 1.00 0.62 H new ATOM 2093 N THR A 141 13.016 4.656 -4.585 1.00 0.39 N ATOM 2094 CA THR A 141 14.400 4.542 -4.996 1.00 0.38 C ATOM 2095 C THR A 141 15.285 5.290 -4.012 1.00 0.34 C ATOM 2096 O THR A 141 15.148 6.496 -3.830 1.00 0.40 O ATOM 2097 CB THR A 141 14.607 5.093 -6.419 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.680 4.466 -7.319 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.030 4.842 -6.900 1.00 0.54 C ATOM 0 H THR A 141 12.607 5.579 -4.732 1.00 0.39 H new ATOM 0 HA THR A 141 14.672 3.486 -5.004 1.00 0.38 H new ATOM 0 HB THR A 141 14.434 6.169 -6.398 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.683 3.497 -7.169 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.149 5.241 -7.907 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.733 5.335 -6.229 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.227 3.770 -6.908 1.00 0.54 H new ATOM 2107 N VAL A 142 16.176 4.567 -3.363 1.00 0.44 N ATOM 2108 CA VAL A 142 16.998 5.149 -2.316 1.00 0.57 C ATOM 2109 C VAL A 142 18.156 5.942 -2.899 1.00 0.77 C ATOM 2110 O VAL A 142 19.090 5.376 -3.467 1.00 1.10 O ATOM 2111 CB VAL A 142 17.546 4.069 -1.369 1.00 0.80 C ATOM 2112 CG1 VAL A 142 18.390 4.690 -0.268 1.00 1.69 C ATOM 2113 CG2 VAL A 142 16.407 3.244 -0.783 1.00 1.74 C ATOM 0 H VAL A 142 16.350 3.578 -3.540 1.00 0.44 H new ATOM 0 HA VAL A 142 16.357 5.824 -1.749 1.00 0.57 H new ATOM 0 HB VAL A 142 18.188 3.403 -1.946 1.00 0.80 H new ATOM 0 HG11 VAL A 142 18.766 3.905 0.389 1.00 1.69 H new ATOM 0 HG12 VAL A 142 19.230 5.225 -0.711 1.00 1.69 H new ATOM 0 HG13 VAL A 142 17.781 5.385 0.309 1.00 1.69 H new ATOM 0 HG21 VAL A 142 16.814 2.485 -0.115 1.00 1.74 H new ATOM 0 HG22 VAL A 142 15.735 3.896 -0.225 1.00 1.74 H new ATOM 0 HG23 VAL A 142 15.856 2.760 -1.589 1.00 1.74 H new ATOM 2123 N THR A 143 18.074 7.255 -2.775 1.00 0.85 N ATOM 2124 CA THR A 143 19.135 8.144 -3.218 1.00 1.18 C ATOM 2125 C THR A 143 19.105 9.431 -2.400 1.00 1.82 C ATOM 2126 O THR A 143 20.023 9.642 -1.580 1.00 2.22 O ATOM 2127 CB THR A 143 19.006 8.476 -4.720 1.00 1.54 C ATOM 2128 OG1 THR A 143 18.991 7.263 -5.487 1.00 2.04 O ATOM 2129 CG2 THR A 143 20.157 9.356 -5.186 1.00 1.94 C ATOM 2130 OXT THR A 143 18.138 10.208 -2.555 1.00 2.58 O ATOM 0 H THR A 143 17.272 7.735 -2.365 1.00 0.85 H new ATOM 0 HA THR A 143 20.086 7.634 -3.067 1.00 1.18 H new ATOM 0 HB THR A 143 18.072 9.019 -4.869 1.00 1.54 H new ATOM 0 HG1 THR A 143 18.907 7.479 -6.439 1.00 2.04 H new ATOM 0 HG21 THR A 143 20.041 9.575 -6.248 1.00 1.94 H new ATOM 0 HG22 THR A 143 20.154 10.288 -4.621 1.00 1.94 H new ATOM 0 HG23 THR A 143 21.101 8.836 -5.023 1.00 1.94 H new TER 2138 THR A 143