USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 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 36 GLN : amide:sc= -30.9! C(o=-34!,f=-31!) USER MOD Set 1.2: A 48 ASN : amide:sc= -2.76 K(o=-34,f=-42!) USER MOD Set 2.1: A 37 CYS SG : rot -149:sc= -8.12! USER MOD Set 2.2: A 47 CYS SG : rot -75:sc= -9.06! USER MOD Set 3.1: A 27 GLN : amide:sc= -4.64! C(o=-9.6!,f=-4.2!) USER MOD Set 3.2: A 32 TYR OH : rot -70:sc= -4.97! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 8 THR OG1 : rot 180:sc= -5.46! USER MOD Single : A 10 SER OG : rot -150:sc= -0.0797 USER MOD Single : A 11 SER OG : rot 47:sc= 1.05 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.03 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.401 K(o=-0.4,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -9:sc= 0.581! USER MOD Single : A 65 THR OG1 : rot -159:sc= -0.755 USER MOD Single : A 66 SER OG : rot 180:sc= -0.243 USER MOD Single : A 68 THR OG1 : rot 170:sc=-0.00605 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -9.16! C(o=-9.2!,f=-7.9!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.729 K(o=-0.73,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.716 13.804 -6.805 1.00 0.00 N ATOM 2 CA ALA A 1 3.120 13.479 -6.956 1.00 0.00 C ATOM 3 C ALA A 1 3.623 12.775 -5.703 1.00 0.00 C ATOM 4 O ALA A 1 4.000 13.427 -4.732 1.00 0.00 O ATOM 5 CB ALA A 1 3.912 14.758 -7.213 1.00 0.00 C ATOM 0 H1 ALA A 1 1.377 14.284 -7.663 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.171 12.930 -6.659 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.591 14.431 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 1 3.254 12.808 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.968 14.515 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.549 15.234 -8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.785 15.440 -6.372 1.00 0.00 H new ATOM 11 N ALA A 2 3.628 11.441 -5.728 1.00 0.00 N ATOM 12 CA ALA A 2 4.083 10.657 -4.597 1.00 0.00 C ATOM 13 C ALA A 2 5.381 11.238 -4.056 1.00 0.00 C ATOM 14 O ALA A 2 6.295 11.538 -4.820 1.00 0.00 O ATOM 15 CB ALA A 2 4.279 9.207 -5.031 1.00 0.00 C ATOM 0 H ALA A 2 3.319 10.887 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 2 3.336 10.688 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.621 8.616 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.333 8.805 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.023 9.163 -5.827 1.00 0.00 H new ATOM 21 N PRO A 3 5.459 11.397 -2.732 1.00 0.00 N ATOM 22 CA PRO A 3 6.612 11.932 -2.042 1.00 0.00 C ATOM 23 C PRO A 3 7.737 10.907 -2.056 1.00 0.00 C ATOM 24 O PRO A 3 7.618 9.861 -2.689 1.00 0.00 O ATOM 25 CB PRO A 3 6.129 12.195 -0.617 1.00 0.00 C ATOM 26 CG PRO A 3 5.051 11.129 -0.424 1.00 0.00 C ATOM 27 CD PRO A 3 4.403 11.055 -1.805 1.00 0.00 C ATOM 0 HA PRO A 3 7.001 12.838 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.935 12.091 0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.727 13.202 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.477 10.171 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.333 11.413 0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.011 10.058 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.566 11.749 -1.886 1.00 0.00 H new ATOM 35 N THR A 4 8.834 11.211 -1.358 1.00 0.00 N ATOM 36 CA THR A 4 9.970 10.314 -1.297 1.00 0.00 C ATOM 37 C THR A 4 9.896 9.467 -0.035 1.00 0.00 C ATOM 38 O THR A 4 10.098 9.971 1.067 1.00 0.00 O ATOM 39 CB THR A 4 11.261 11.127 -1.327 1.00 0.00 C ATOM 40 OG1 THR A 4 11.598 11.424 -2.664 1.00 0.00 O ATOM 41 CG2 THR A 4 12.386 10.320 -0.687 1.00 0.00 C ATOM 0 H THR A 4 8.951 12.075 -0.829 1.00 0.00 H new ATOM 0 HA THR A 4 9.955 9.646 -2.158 1.00 0.00 H new ATOM 0 HB THR A 4 11.119 12.055 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.426 11.948 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.308 10.901 -0.708 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.126 10.090 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.529 9.392 -1.241 1.00 0.00 H new ATOM 49 N ALA A 5 9.606 8.174 -0.200 1.00 0.00 N ATOM 50 CA ALA A 5 9.506 7.264 0.924 1.00 0.00 C ATOM 51 C ALA A 5 10.406 6.059 0.693 1.00 0.00 C ATOM 52 O ALA A 5 10.500 5.557 -0.425 1.00 0.00 O ATOM 53 CB ALA A 5 8.053 6.829 1.096 1.00 0.00 C ATOM 0 H ALA A 5 9.437 7.741 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 5 9.832 7.766 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.976 6.145 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.430 7.705 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.714 6.327 0.190 1.00 0.00 H new ATOM 59 N THR A 6 11.070 5.595 1.753 1.00 0.00 N ATOM 60 CA THR A 6 11.957 4.453 1.656 1.00 0.00 C ATOM 61 C THR A 6 11.268 3.213 2.208 1.00 0.00 C ATOM 62 O THR A 6 11.010 3.124 3.406 1.00 0.00 O ATOM 63 CB THR A 6 13.244 4.743 2.424 1.00 0.00 C ATOM 64 OG1 THR A 6 12.957 5.578 3.523 1.00 0.00 O ATOM 65 CG2 THR A 6 14.240 5.439 1.502 1.00 0.00 C ATOM 0 H THR A 6 11.005 5.999 2.687 1.00 0.00 H new ATOM 0 HA THR A 6 12.205 4.270 0.611 1.00 0.00 H new ATOM 0 HB THR A 6 13.673 3.807 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.783 5.763 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.159 5.646 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.462 4.793 0.652 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.812 6.375 1.144 1.00 0.00 H new ATOM 73 N VAL A 7 10.970 2.254 1.328 1.00 0.00 N ATOM 74 CA VAL A 7 10.314 1.025 1.729 1.00 0.00 C ATOM 75 C VAL A 7 11.299 -0.132 1.652 1.00 0.00 C ATOM 76 O VAL A 7 12.265 -0.079 0.894 1.00 0.00 O ATOM 77 CB VAL A 7 9.112 0.774 0.824 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.534 2.109 0.362 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.551 -0.038 -0.391 1.00 0.00 C ATOM 0 H VAL A 7 11.177 2.314 0.331 1.00 0.00 H new ATOM 0 HA VAL A 7 9.965 1.111 2.758 1.00 0.00 H new ATOM 0 HB VAL A 7 8.352 0.221 1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.675 1.929 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.220 2.689 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.294 2.663 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.692 -0.218 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.312 0.515 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.963 -0.992 -0.062 1.00 0.00 H new ATOM 89 N THR A 8 11.053 -1.182 2.440 1.00 0.00 N ATOM 90 CA THR A 8 11.919 -2.344 2.452 1.00 0.00 C ATOM 91 C THR A 8 11.810 -3.087 1.129 1.00 0.00 C ATOM 92 O THR A 8 10.991 -2.736 0.282 1.00 0.00 O ATOM 93 CB THR A 8 11.532 -3.252 3.616 1.00 0.00 C ATOM 94 OG1 THR A 8 12.698 -3.779 4.208 1.00 0.00 O ATOM 95 CG2 THR A 8 10.662 -4.396 3.101 1.00 0.00 C ATOM 0 H THR A 8 10.258 -1.243 3.076 1.00 0.00 H new ATOM 0 HA THR A 8 12.954 -2.028 2.581 1.00 0.00 H new ATOM 0 HB THR A 8 10.976 -2.677 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.450 -4.361 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.385 -5.045 3.932 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.761 -3.990 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.218 -4.971 2.361 1.00 0.00 H new ATOM 103 N PRO A 9 12.640 -4.117 0.952 1.00 0.00 N ATOM 104 CA PRO A 9 12.679 -4.939 -0.238 1.00 0.00 C ATOM 105 C PRO A 9 11.448 -5.832 -0.282 1.00 0.00 C ATOM 106 O PRO A 9 11.245 -6.657 0.606 1.00 0.00 O ATOM 107 CB PRO A 9 13.953 -5.769 -0.100 1.00 0.00 C ATOM 108 CG PRO A 9 14.102 -5.910 1.414 1.00 0.00 C ATOM 109 CD PRO A 9 13.616 -4.556 1.926 1.00 0.00 C ATOM 0 HA PRO A 9 12.681 -4.354 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.859 -6.738 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.812 -5.268 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.501 -6.731 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.135 -6.105 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.172 -4.645 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.439 -3.846 2.008 1.00 0.00 H new ATOM 117 N SER A 10 10.623 -5.665 -1.319 1.00 0.00 N ATOM 118 CA SER A 10 9.418 -6.455 -1.471 1.00 0.00 C ATOM 119 C SER A 10 9.554 -7.377 -2.674 1.00 0.00 C ATOM 120 O SER A 10 8.643 -7.469 -3.495 1.00 0.00 O ATOM 121 CB SER A 10 8.219 -5.526 -1.634 1.00 0.00 C ATOM 122 OG SER A 10 8.479 -4.600 -2.666 1.00 0.00 O ATOM 0 H SER A 10 10.776 -4.985 -2.064 1.00 0.00 H new ATOM 0 HA SER A 10 9.267 -7.069 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.326 -6.105 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.023 -5.000 -0.700 1.00 0.00 H new ATOM 0 HG SER A 10 8.003 -3.763 -2.482 1.00 0.00 H new ATOM 128 N SER A 11 10.695 -8.063 -2.777 1.00 0.00 N ATOM 129 CA SER A 11 10.941 -8.974 -3.876 1.00 0.00 C ATOM 130 C SER A 11 11.355 -10.336 -3.335 1.00 0.00 C ATOM 131 O SER A 11 12.475 -10.503 -2.859 1.00 0.00 O ATOM 132 CB SER A 11 12.028 -8.399 -4.779 1.00 0.00 C ATOM 133 OG SER A 11 13.265 -8.426 -4.102 1.00 0.00 O ATOM 0 H SER A 11 11.460 -7.998 -2.105 1.00 0.00 H new ATOM 0 HA SER A 11 10.029 -9.099 -4.460 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.093 -8.977 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.778 -7.376 -5.061 1.00 0.00 H new ATOM 0 HG SER A 11 13.390 -9.304 -3.684 1.00 0.00 H new ATOM 139 N GLY A 12 10.446 -11.312 -3.410 1.00 0.00 N ATOM 140 CA GLY A 12 10.725 -12.650 -2.928 1.00 0.00 C ATOM 141 C GLY A 12 10.291 -12.789 -1.476 1.00 0.00 C ATOM 142 O GLY A 12 10.850 -13.591 -0.732 1.00 0.00 O ATOM 0 H GLY A 12 9.512 -11.191 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.201 -13.382 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.790 -12.862 -3.018 1.00 0.00 H new ATOM 146 N LEU A 13 9.289 -12.003 -1.073 1.00 0.00 N ATOM 147 CA LEU A 13 8.785 -12.041 0.285 1.00 0.00 C ATOM 148 C LEU A 13 7.515 -12.879 0.341 1.00 0.00 C ATOM 149 O LEU A 13 6.613 -12.698 -0.474 1.00 0.00 O ATOM 150 CB LEU A 13 8.516 -10.618 0.767 1.00 0.00 C ATOM 151 CG LEU A 13 9.624 -9.695 0.269 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.855 -8.582 1.288 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.910 -10.495 0.087 1.00 0.00 C ATOM 0 H LEU A 13 8.815 -11.333 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 13 9.527 -12.498 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.549 -10.275 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.470 -10.594 1.856 1.00 0.00 H new ATOM 0 HG LEU A 13 9.331 -9.258 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.647 -7.922 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.936 -8.010 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.148 -9.018 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.702 -9.835 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.204 -10.933 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.745 -11.289 -0.641 1.00 0.00 H new ATOM 165 N SER A 14 7.447 -13.797 1.308 1.00 0.00 N ATOM 166 CA SER A 14 6.290 -14.654 1.465 1.00 0.00 C ATOM 167 C SER A 14 5.496 -14.231 2.693 1.00 0.00 C ATOM 168 O SER A 14 5.973 -13.435 3.499 1.00 0.00 O ATOM 169 CB SER A 14 6.746 -16.105 1.590 1.00 0.00 C ATOM 170 OG SER A 14 7.652 -16.403 0.551 1.00 0.00 O ATOM 0 H SER A 14 8.187 -13.959 1.991 1.00 0.00 H new ATOM 0 HA SER A 14 5.645 -14.563 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.220 -16.267 2.558 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.886 -16.773 1.541 1.00 0.00 H new ATOM 0 HG SER A 14 7.947 -17.334 0.631 1.00 0.00 H new ATOM 176 N ASP A 15 4.282 -14.767 2.835 1.00 0.00 N ATOM 177 CA ASP A 15 3.430 -14.444 3.962 1.00 0.00 C ATOM 178 C ASP A 15 4.245 -14.471 5.248 1.00 0.00 C ATOM 179 O ASP A 15 5.109 -15.328 5.418 1.00 0.00 O ATOM 180 CB ASP A 15 2.277 -15.441 4.031 1.00 0.00 C ATOM 181 CG ASP A 15 2.757 -16.849 3.710 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.841 -17.159 2.502 1.00 0.00 O ATOM 183 OD2 ASP A 15 3.031 -17.590 4.679 1.00 0.00 O ATOM 0 H ASP A 15 3.873 -15.429 2.176 1.00 0.00 H new ATOM 0 HA ASP A 15 3.018 -13.443 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.833 -15.422 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.496 -15.150 3.328 1.00 0.00 H new ATOM 188 N GLY A 16 3.968 -13.531 6.154 1.00 0.00 N ATOM 189 CA GLY A 16 4.678 -13.457 7.415 1.00 0.00 C ATOM 190 C GLY A 16 5.709 -12.338 7.376 1.00 0.00 C ATOM 191 O GLY A 16 6.122 -11.834 8.418 1.00 0.00 O ATOM 0 H GLY A 16 3.254 -12.813 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.973 -13.283 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.171 -14.408 7.619 1.00 0.00 H new ATOM 195 N THR A 17 6.124 -11.949 6.168 1.00 0.00 N ATOM 196 CA THR A 17 7.102 -10.892 6.004 1.00 0.00 C ATOM 197 C THR A 17 6.443 -9.537 6.219 1.00 0.00 C ATOM 198 O THR A 17 5.254 -9.373 5.954 1.00 0.00 O ATOM 199 CB THR A 17 7.714 -10.980 4.609 1.00 0.00 C ATOM 200 OG1 THR A 17 8.202 -12.284 4.391 1.00 0.00 O ATOM 201 CG2 THR A 17 8.862 -9.981 4.493 1.00 0.00 C ATOM 0 H THR A 17 5.792 -12.356 5.293 1.00 0.00 H new ATOM 0 HA THR A 17 7.894 -11.008 6.744 1.00 0.00 H new ATOM 0 HB THR A 17 6.953 -10.748 3.864 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.483 -12.848 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.299 -10.044 3.497 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.485 -8.972 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.623 -10.213 5.238 1.00 0.00 H new ATOM 209 N VAL A 18 7.220 -8.565 6.701 1.00 0.00 N ATOM 210 CA VAL A 18 6.711 -7.231 6.950 1.00 0.00 C ATOM 211 C VAL A 18 7.582 -6.207 6.237 1.00 0.00 C ATOM 212 O VAL A 18 8.766 -6.078 6.540 1.00 0.00 O ATOM 213 CB VAL A 18 6.686 -6.968 8.453 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.116 -6.879 8.977 1.00 0.00 C ATOM 215 CG2 VAL A 18 5.961 -5.654 8.727 1.00 0.00 C ATOM 0 H VAL A 18 8.208 -8.686 6.925 1.00 0.00 H new ATOM 0 HA VAL A 18 5.695 -7.147 6.564 1.00 0.00 H new ATOM 0 HB VAL A 18 6.165 -7.782 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.099 -6.691 10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.634 -7.818 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.638 -6.065 8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.943 -5.465 9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.482 -4.839 8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.939 -5.717 8.352 1.00 0.00 H new ATOM 225 N VAL A 19 6.992 -5.476 5.288 1.00 0.00 N ATOM 226 CA VAL A 19 7.715 -4.468 4.538 1.00 0.00 C ATOM 227 C VAL A 19 7.748 -3.166 5.325 1.00 0.00 C ATOM 228 O VAL A 19 6.982 -2.991 6.270 1.00 0.00 O ATOM 229 CB VAL A 19 7.044 -4.265 3.183 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.901 -5.610 2.478 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.663 -3.648 3.387 1.00 0.00 C ATOM 0 H VAL A 19 6.011 -5.571 5.026 1.00 0.00 H new ATOM 0 HA VAL A 19 8.741 -4.796 4.374 1.00 0.00 H new ATOM 0 HB VAL A 19 7.654 -3.599 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.422 -5.464 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.887 -6.051 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.292 -6.277 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.183 -3.503 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.054 -4.314 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.765 -2.686 3.890 1.00 0.00 H new ATOM 241 N LYS A 20 8.638 -2.252 4.934 1.00 0.00 N ATOM 242 CA LYS A 20 8.764 -0.973 5.604 1.00 0.00 C ATOM 243 C LYS A 20 8.463 0.155 4.628 1.00 0.00 C ATOM 244 O LYS A 20 8.662 0.008 3.425 1.00 0.00 O ATOM 245 CB LYS A 20 10.174 -0.834 6.172 1.00 0.00 C ATOM 246 CG LYS A 20 10.106 -0.163 7.541 1.00 0.00 C ATOM 247 CD LYS A 20 10.351 1.335 7.386 1.00 0.00 C ATOM 248 CE LYS A 20 11.851 1.612 7.417 1.00 0.00 C ATOM 249 NZ LYS A 20 12.231 2.321 8.649 1.00 0.00 N ATOM 0 H LYS A 20 9.281 -2.382 4.153 1.00 0.00 H new ATOM 0 HA LYS A 20 8.048 -0.917 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.641 -1.815 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.794 -0.244 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.131 -0.338 7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.851 -0.597 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.925 1.689 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.853 1.880 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.399 0.672 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.132 2.208 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.256 2.498 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.724 3.227 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.982 1.740 9.475 1.00 0.00 H new ATOM 263 N VAL A 21 7.981 1.285 5.151 1.00 0.00 N ATOM 264 CA VAL A 21 7.654 2.432 4.327 1.00 0.00 C ATOM 265 C VAL A 21 7.920 3.715 5.101 1.00 0.00 C ATOM 266 O VAL A 21 7.223 4.014 6.068 1.00 0.00 O ATOM 267 CB VAL A 21 6.192 2.350 3.900 1.00 0.00 C ATOM 268 CG1 VAL A 21 6.112 2.199 2.384 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.534 1.145 4.567 1.00 0.00 C ATOM 0 H VAL A 21 7.811 1.422 6.147 1.00 0.00 H new ATOM 0 HA VAL A 21 8.279 2.434 3.434 1.00 0.00 H new ATOM 0 HB VAL A 21 5.674 3.260 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.067 2.140 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.582 3.060 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.630 1.289 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.489 1.086 4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.052 0.234 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.590 1.253 5.650 1.00 0.00 H new ATOM 279 N ALA A 22 8.932 4.473 4.674 1.00 0.00 N ATOM 280 CA ALA A 22 9.284 5.717 5.328 1.00 0.00 C ATOM 281 C ALA A 22 9.129 6.875 4.351 1.00 0.00 C ATOM 282 O ALA A 22 9.829 6.936 3.343 1.00 0.00 O ATOM 283 CB ALA A 22 10.718 5.632 5.842 1.00 0.00 C ATOM 0 H ALA A 22 9.519 4.238 3.874 1.00 0.00 H new ATOM 0 HA ALA A 22 8.618 5.889 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.984 6.567 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.801 4.811 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.395 5.457 5.006 1.00 0.00 H new ATOM 289 N GLY A 23 8.209 7.794 4.652 1.00 0.00 N ATOM 290 CA GLY A 23 7.971 8.941 3.798 1.00 0.00 C ATOM 291 C GLY A 23 8.998 10.029 4.078 1.00 0.00 C ATOM 292 O GLY A 23 9.396 10.231 5.223 1.00 0.00 O ATOM 0 H GLY A 23 7.620 7.759 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.025 8.641 2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.966 9.327 3.968 1.00 0.00 H new ATOM 296 N ALA A 24 9.427 10.731 3.026 1.00 0.00 N ATOM 297 CA ALA A 24 10.404 11.792 3.163 1.00 0.00 C ATOM 298 C ALA A 24 10.056 12.938 2.223 1.00 0.00 C ATOM 299 O ALA A 24 10.253 12.833 1.014 1.00 0.00 O ATOM 300 CB ALA A 24 11.795 11.245 2.856 1.00 0.00 C ATOM 0 H ALA A 24 9.106 10.576 2.070 1.00 0.00 H new ATOM 0 HA ALA A 24 10.394 12.170 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.531 12.043 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.032 10.441 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.818 10.860 1.837 1.00 0.00 H new ATOM 306 N GLY A 25 9.535 14.034 2.779 1.00 0.00 N ATOM 307 CA GLY A 25 9.164 15.188 1.985 1.00 0.00 C ATOM 308 C GLY A 25 7.652 15.252 1.823 1.00 0.00 C ATOM 309 O GLY A 25 7.151 15.863 0.882 1.00 0.00 O ATOM 0 H GLY A 25 9.364 14.138 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.524 16.099 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.640 15.133 1.006 1.00 0.00 H new ATOM 313 N LEU A 26 6.924 14.619 2.747 1.00 0.00 N ATOM 314 CA LEU A 26 5.475 14.607 2.703 1.00 0.00 C ATOM 315 C LEU A 26 4.926 15.812 3.453 1.00 0.00 C ATOM 316 O LEU A 26 5.661 16.753 3.744 1.00 0.00 O ATOM 317 CB LEU A 26 4.959 13.308 3.315 1.00 0.00 C ATOM 318 CG LEU A 26 6.003 12.210 3.131 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.304 10.858 3.020 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.802 12.476 1.858 1.00 0.00 C ATOM 0 H LEU A 26 7.324 14.109 3.534 1.00 0.00 H new ATOM 0 HA LEU A 26 5.138 14.664 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.749 13.451 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.022 13.017 2.841 1.00 0.00 H new ATOM 0 HG LEU A 26 6.677 12.202 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.049 10.073 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.733 10.668 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.630 10.866 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.548 11.692 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.129 12.484 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.301 13.442 1.937 1.00 0.00 H new ATOM 332 N GLN A 27 3.629 15.781 3.767 1.00 0.00 N ATOM 333 CA GLN A 27 2.989 16.868 4.480 1.00 0.00 C ATOM 334 C GLN A 27 3.172 16.681 5.980 1.00 0.00 C ATOM 335 O GLN A 27 2.800 15.646 6.529 1.00 0.00 O ATOM 336 CB GLN A 27 1.507 16.910 4.118 1.00 0.00 C ATOM 337 CG GLN A 27 1.353 17.280 2.645 1.00 0.00 C ATOM 338 CD GLN A 27 1.161 16.036 1.790 1.00 0.00 C ATOM 339 OE1 GLN A 27 1.980 15.745 0.921 1.00 0.00 O ATOM 340 NE2 GLN A 27 0.073 15.302 2.037 1.00 0.00 N ATOM 0 H GLN A 27 3.006 15.008 3.534 1.00 0.00 H new ATOM 0 HA GLN A 27 3.447 17.815 4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.047 15.941 4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.990 17.638 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.500 17.947 2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.235 17.825 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.578 15.585 2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.107 14.458 1.493 1.00 0.00 H new ATOM 349 N ALA A 28 3.747 17.688 6.642 1.00 0.00 N ATOM 350 CA ALA A 28 3.976 17.630 8.072 1.00 0.00 C ATOM 351 C ALA A 28 2.653 17.764 8.812 1.00 0.00 C ATOM 352 O ALA A 28 1.840 18.623 8.482 1.00 0.00 O ATOM 353 CB ALA A 28 4.938 18.743 8.477 1.00 0.00 C ATOM 0 H ALA A 28 4.060 18.553 6.201 1.00 0.00 H new ATOM 0 HA ALA A 28 4.420 16.670 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.111 18.701 9.552 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.884 18.615 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.506 19.710 8.217 1.00 0.00 H new ATOM 359 N GLY A 29 2.439 16.910 9.816 1.00 0.00 N ATOM 360 CA GLY A 29 1.216 16.941 10.593 1.00 0.00 C ATOM 361 C GLY A 29 0.060 16.372 9.782 1.00 0.00 C ATOM 362 O GLY A 29 -1.091 16.436 10.207 1.00 0.00 O ATOM 0 H GLY A 29 3.103 16.191 10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.345 16.365 11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.991 17.966 10.890 1.00 0.00 H new ATOM 366 N THR A 30 0.370 15.814 8.609 1.00 0.00 N ATOM 367 CA THR A 30 -0.643 15.238 7.749 1.00 0.00 C ATOM 368 C THR A 30 -0.752 13.741 8.005 1.00 0.00 C ATOM 369 O THR A 30 0.259 13.063 8.175 1.00 0.00 O ATOM 370 CB THR A 30 -0.287 15.512 6.291 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.289 16.312 5.705 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.185 14.191 5.534 1.00 0.00 C ATOM 0 H THR A 30 1.319 15.753 8.241 1.00 0.00 H new ATOM 0 HA THR A 30 -1.609 15.693 7.966 1.00 0.00 H new ATOM 0 HB THR A 30 0.669 16.033 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.146 16.358 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.069 14.387 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.589 13.571 5.986 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.141 13.669 5.582 1.00 0.00 H new ATOM 380 N ALA A 31 -1.984 13.228 8.031 1.00 0.00 N ATOM 381 CA ALA A 31 -2.219 11.817 8.266 1.00 0.00 C ATOM 382 C ALA A 31 -2.215 11.066 6.943 1.00 0.00 C ATOM 383 O ALA A 31 -2.561 11.629 5.906 1.00 0.00 O ATOM 384 CB ALA A 31 -3.553 11.638 8.985 1.00 0.00 C ATOM 0 H ALA A 31 -2.832 13.778 7.891 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.425 11.411 8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.731 10.577 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.526 12.166 9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.356 12.043 8.369 1.00 0.00 H new ATOM 390 N TYR A 32 -1.820 9.791 6.978 1.00 0.00 N ATOM 391 CA TYR A 32 -1.772 8.974 5.783 1.00 0.00 C ATOM 392 C TYR A 32 -2.330 7.590 6.081 1.00 0.00 C ATOM 393 O TYR A 32 -2.170 7.078 7.187 1.00 0.00 O ATOM 394 CB TYR A 32 -0.331 8.881 5.290 1.00 0.00 C ATOM 395 CG TYR A 32 0.165 10.149 4.635 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.469 10.637 3.487 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.259 10.835 5.177 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.010 11.812 2.880 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.718 12.010 4.570 1.00 0.00 C ATOM 400 CZ TYR A 32 1.084 12.499 3.422 1.00 0.00 C ATOM 401 OH TYR A 32 1.531 13.644 2.830 1.00 0.00 O ATOM 0 H TYR A 32 -1.530 9.309 7.829 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.381 9.429 5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.318 8.639 6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.251 8.059 4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.312 10.107 3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.748 10.458 6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.499 12.189 1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.562 12.539 4.988 1.00 0.00 H new ATOM 0 HH TYR A 32 1.953 13.426 1.973 1.00 0.00 H new ATOM 411 N ASP A 33 -2.987 6.983 5.090 1.00 0.00 N ATOM 412 CA ASP A 33 -3.565 5.664 5.251 1.00 0.00 C ATOM 413 C ASP A 33 -2.745 4.644 4.474 1.00 0.00 C ATOM 414 O ASP A 33 -2.726 4.667 3.245 1.00 0.00 O ATOM 415 CB ASP A 33 -5.011 5.680 4.764 1.00 0.00 C ATOM 416 CG ASP A 33 -5.969 5.961 5.913 1.00 0.00 C ATOM 417 OD1 ASP A 33 -6.170 5.032 6.724 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.482 7.100 5.958 1.00 0.00 O ATOM 0 H ASP A 33 -3.128 7.393 4.167 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.554 5.383 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.130 6.440 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.256 4.721 4.308 1.00 0.00 H new ATOM 423 N VAL A 34 -2.067 3.747 5.194 1.00 0.00 N ATOM 424 CA VAL A 34 -1.250 2.726 4.570 1.00 0.00 C ATOM 425 C VAL A 34 -1.992 1.397 4.579 1.00 0.00 C ATOM 426 O VAL A 34 -2.794 1.138 5.473 1.00 0.00 O ATOM 427 CB VAL A 34 0.076 2.610 5.316 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.188 2.271 4.328 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.392 3.937 6.001 1.00 0.00 C ATOM 0 H VAL A 34 -2.074 3.715 6.213 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.046 2.999 3.535 1.00 0.00 H new ATOM 0 HB VAL A 34 0.003 1.822 6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.135 2.188 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.963 1.324 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.261 3.059 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.339 3.855 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.465 4.725 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.402 4.180 6.707 1.00 0.00 H new ATOM 439 N GLY A 35 -1.722 0.553 3.579 1.00 0.00 N ATOM 440 CA GLY A 35 -2.367 -0.741 3.482 1.00 0.00 C ATOM 441 C GLY A 35 -1.860 -1.492 2.259 1.00 0.00 C ATOM 442 O GLY A 35 -1.095 -0.948 1.466 1.00 0.00 O ATOM 0 H GLY A 35 -1.059 0.751 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.169 -1.322 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.447 -0.613 3.417 1.00 0.00 H new ATOM 446 N GLN A 36 -2.288 -2.748 2.109 1.00 0.00 N ATOM 447 CA GLN A 36 -1.875 -3.566 0.986 1.00 0.00 C ATOM 448 C GLN A 36 -3.078 -3.887 0.110 1.00 0.00 C ATOM 449 O GLN A 36 -3.984 -4.602 0.533 1.00 0.00 O ATOM 450 CB GLN A 36 -1.227 -4.847 1.505 1.00 0.00 C ATOM 451 CG GLN A 36 -1.108 -5.855 0.365 1.00 0.00 C ATOM 452 CD GLN A 36 -0.827 -7.251 0.902 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.673 -7.843 1.569 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.365 -7.776 0.611 1.00 0.00 N ATOM 0 H GLN A 36 -2.922 -3.214 2.758 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.147 -3.023 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.241 -4.628 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.824 -5.267 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.030 -5.863 -0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.308 -5.553 -0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.034 -7.245 0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.607 -8.708 0.946 1.00 0.00 H new ATOM 463 N CYS A 37 -3.085 -3.355 -1.114 1.00 0.00 N ATOM 464 CA CYS A 37 -4.173 -3.586 -2.043 1.00 0.00 C ATOM 465 C CYS A 37 -3.651 -4.306 -3.279 1.00 0.00 C ATOM 466 O CYS A 37 -2.522 -4.073 -3.704 1.00 0.00 O ATOM 467 CB CYS A 37 -4.809 -2.252 -2.422 1.00 0.00 C ATOM 468 SG CYS A 37 -4.663 -0.978 -1.144 1.00 0.00 S ATOM 0 H CYS A 37 -2.341 -2.759 -1.478 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.930 -4.214 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.345 -1.887 -3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.865 -2.413 -2.641 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.686 -0.179 -1.209 1.00 0.00 H new ATOM 473 N ALA A 38 -4.477 -5.182 -3.855 1.00 0.00 N ATOM 474 CA ALA A 38 -4.095 -5.930 -5.035 1.00 0.00 C ATOM 475 C ALA A 38 -5.092 -5.670 -6.156 1.00 0.00 C ATOM 476 O ALA A 38 -6.299 -5.667 -5.926 1.00 0.00 O ATOM 477 CB ALA A 38 -4.037 -7.417 -4.698 1.00 0.00 C ATOM 0 H ALA A 38 -5.417 -5.385 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.109 -5.608 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.750 -7.980 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.303 -7.583 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.017 -7.751 -4.358 1.00 0.00 H new ATOM 483 N TRP A 39 -4.585 -5.450 -7.371 1.00 0.00 N ATOM 484 CA TRP A 39 -5.435 -5.192 -8.515 1.00 0.00 C ATOM 485 C TRP A 39 -6.287 -6.417 -8.815 1.00 0.00 C ATOM 486 O TRP A 39 -5.760 -7.512 -9.002 1.00 0.00 O ATOM 487 CB TRP A 39 -4.571 -4.827 -9.718 1.00 0.00 C ATOM 488 CG TRP A 39 -5.098 -5.293 -11.037 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.404 -5.374 -11.371 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.358 -5.749 -12.211 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.523 -5.844 -12.662 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.289 -6.092 -13.228 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.995 -5.906 -12.520 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.892 -6.566 -14.481 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.586 -6.381 -13.775 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.529 -6.711 -14.755 1.00 0.00 C ATOM 0 H TRP A 39 -3.586 -5.447 -7.579 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.101 -4.358 -8.295 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.459 -3.743 -9.751 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.576 -5.246 -9.572 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.229 -5.111 -10.726 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.413 -5.990 -13.139 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.250 -5.657 -11.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.629 -6.817 -15.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.533 -6.493 -13.987 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.205 -7.076 -15.718 1.00 0.00 H new ATOM 507 N VAL A 40 -7.608 -6.230 -8.860 1.00 0.00 N ATOM 508 CA VAL A 40 -8.526 -7.317 -9.136 1.00 0.00 C ATOM 509 C VAL A 40 -9.094 -7.167 -10.540 1.00 0.00 C ATOM 510 O VAL A 40 -9.211 -8.148 -11.272 1.00 0.00 O ATOM 511 CB VAL A 40 -9.643 -7.315 -8.097 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.093 -7.794 -6.756 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.193 -5.900 -7.945 1.00 0.00 C ATOM 0 H VAL A 40 -8.059 -5.328 -8.707 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.998 -8.269 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.441 -7.983 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.891 -7.792 -6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.700 -8.805 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.294 -7.127 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.991 -5.898 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.395 -5.232 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.587 -5.558 -8.902 1.00 0.00 H new ATOM 523 N ASP A 41 -9.447 -5.936 -10.914 1.00 0.00 N ATOM 524 CA ASP A 41 -10.001 -5.665 -12.226 1.00 0.00 C ATOM 525 C ASP A 41 -9.399 -4.383 -12.784 1.00 0.00 C ATOM 526 O ASP A 41 -9.380 -3.358 -12.107 1.00 0.00 O ATOM 527 CB ASP A 41 -11.519 -5.550 -12.122 1.00 0.00 C ATOM 528 CG ASP A 41 -12.203 -6.444 -13.148 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.583 -7.465 -13.514 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.333 -6.088 -13.546 1.00 0.00 O ATOM 0 H ASP A 41 -9.355 -5.113 -10.318 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.758 -6.483 -12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.841 -5.829 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.821 -4.514 -12.277 1.00 0.00 H new ATOM 535 N THR A 42 -8.907 -4.442 -14.024 1.00 0.00 N ATOM 536 CA THR A 42 -8.310 -3.286 -14.661 1.00 0.00 C ATOM 537 C THR A 42 -9.085 -2.030 -14.289 1.00 0.00 C ATOM 538 O THR A 42 -10.233 -1.862 -14.695 1.00 0.00 O ATOM 539 CB THR A 42 -8.302 -3.487 -16.174 1.00 0.00 C ATOM 540 OG1 THR A 42 -7.680 -2.383 -16.792 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.737 -3.610 -16.678 1.00 0.00 C ATOM 0 H THR A 42 -8.915 -5.284 -14.600 1.00 0.00 H new ATOM 0 HA THR A 42 -7.283 -3.169 -14.317 1.00 0.00 H new ATOM 0 HB THR A 42 -7.752 -4.396 -16.417 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.673 -2.513 -17.763 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.732 -3.754 -17.758 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.218 -4.464 -16.201 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.287 -2.701 -16.435 1.00 0.00 H new ATOM 549 N GLY A 43 -8.455 -1.145 -13.513 1.00 0.00 N ATOM 550 CA GLY A 43 -9.091 0.087 -13.092 1.00 0.00 C ATOM 551 C GLY A 43 -9.766 -0.101 -11.741 1.00 0.00 C ATOM 552 O GLY A 43 -10.500 0.772 -11.283 1.00 0.00 O ATOM 0 H GLY A 43 -7.503 -1.267 -13.167 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.350 0.883 -13.028 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.827 0.396 -13.834 1.00 0.00 H new ATOM 556 N VAL A 44 -9.515 -1.247 -11.103 1.00 0.00 N ATOM 557 CA VAL A 44 -10.098 -1.545 -9.810 1.00 0.00 C ATOM 558 C VAL A 44 -9.179 -2.478 -9.034 1.00 0.00 C ATOM 559 O VAL A 44 -8.740 -3.499 -9.560 1.00 0.00 O ATOM 560 CB VAL A 44 -11.472 -2.179 -10.006 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.984 -1.860 -11.408 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.363 -3.692 -9.836 1.00 0.00 C ATOM 0 H VAL A 44 -8.909 -1.981 -11.470 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.216 -0.624 -9.238 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.166 -1.779 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.966 -2.313 -11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.062 -0.780 -11.530 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.291 -2.260 -12.148 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.344 -4.145 -9.976 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.670 -4.092 -10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.997 -3.920 -8.835 1.00 0.00 H new ATOM 572 N LEU A 45 -8.889 -2.127 -7.779 1.00 0.00 N ATOM 573 CA LEU A 45 -8.026 -2.932 -6.939 1.00 0.00 C ATOM 574 C LEU A 45 -8.662 -3.114 -5.569 1.00 0.00 C ATOM 575 O LEU A 45 -9.292 -2.196 -5.048 1.00 0.00 O ATOM 576 CB LEU A 45 -6.662 -2.258 -6.816 1.00 0.00 C ATOM 577 CG LEU A 45 -6.698 -1.242 -5.679 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.272 -0.895 -5.260 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.413 0.022 -6.148 1.00 0.00 C ATOM 0 H LEU A 45 -9.246 -1.284 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.891 -3.916 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.891 -3.005 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.403 -1.763 -7.752 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.232 -1.667 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.298 -0.169 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.762 -1.798 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.736 -0.470 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.439 0.748 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.880 0.447 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.432 -0.226 -6.446 1.00 0.00 H new ATOM 591 N ALA A 46 -8.496 -4.303 -4.985 1.00 0.00 N ATOM 592 CA ALA A 46 -9.054 -4.599 -3.681 1.00 0.00 C ATOM 593 C ALA A 46 -8.022 -4.311 -2.600 1.00 0.00 C ATOM 594 O ALA A 46 -6.829 -4.522 -2.807 1.00 0.00 O ATOM 595 CB ALA A 46 -9.491 -6.061 -3.636 1.00 0.00 C ATOM 0 H ALA A 46 -7.976 -5.074 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.924 -3.967 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.911 -6.285 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.245 -6.239 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.630 -6.704 -3.817 1.00 0.00 H new ATOM 601 N CYS A 47 -8.483 -3.827 -1.445 1.00 0.00 N ATOM 602 CA CYS A 47 -7.601 -3.512 -0.340 1.00 0.00 C ATOM 603 C CYS A 47 -7.754 -4.558 0.755 1.00 0.00 C ATOM 604 O CYS A 47 -8.786 -5.220 0.844 1.00 0.00 O ATOM 605 CB CYS A 47 -7.929 -2.120 0.192 1.00 0.00 C ATOM 606 SG CYS A 47 -7.096 -0.779 -0.694 1.00 0.00 S ATOM 0 H CYS A 47 -9.470 -3.647 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.566 -3.520 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.006 -1.965 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.655 -2.071 1.246 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.846 -0.735 -0.339 1.00 0.00 H new ATOM 611 N ASN A 48 -6.723 -4.707 1.591 1.00 0.00 N ATOM 612 CA ASN A 48 -6.751 -5.670 2.673 1.00 0.00 C ATOM 613 C ASN A 48 -6.763 -4.946 4.012 1.00 0.00 C ATOM 614 O ASN A 48 -5.761 -4.356 4.410 1.00 0.00 O ATOM 615 CB ASN A 48 -5.537 -6.588 2.566 1.00 0.00 C ATOM 616 CG ASN A 48 -5.562 -7.651 3.654 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.550 -7.783 4.373 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.472 -8.413 3.773 1.00 0.00 N ATOM 0 H ASN A 48 -5.860 -4.167 1.531 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.656 -6.274 2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.522 -7.065 1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.623 -6.000 2.648 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.435 -9.143 4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.676 -8.265 3.152 1.00 0.00 H new ATOM 625 N PRO A 49 -7.902 -4.992 4.706 1.00 0.00 N ATOM 626 CA PRO A 49 -8.097 -4.366 5.996 1.00 0.00 C ATOM 627 C PRO A 49 -7.334 -5.141 7.061 1.00 0.00 C ATOM 628 O PRO A 49 -7.357 -4.775 8.234 1.00 0.00 O ATOM 629 CB PRO A 49 -9.603 -4.437 6.242 1.00 0.00 C ATOM 630 CG PRO A 49 -10.008 -5.706 5.493 1.00 0.00 C ATOM 631 CD PRO A 49 -9.099 -5.677 4.267 1.00 0.00 C ATOM 0 HA PRO A 49 -7.733 -3.339 6.028 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.837 -4.502 7.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.118 -3.557 5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.847 -6.600 6.095 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.062 -5.694 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.872 -6.685 3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.572 -5.153 3.437 1.00 0.00 H new ATOM 639 N ALA A 50 -6.657 -6.215 6.649 1.00 0.00 N ATOM 640 CA ALA A 50 -5.894 -7.036 7.567 1.00 0.00 C ATOM 641 C ALA A 50 -4.443 -6.575 7.587 1.00 0.00 C ATOM 642 O ALA A 50 -3.660 -7.022 8.422 1.00 0.00 O ATOM 643 CB ALA A 50 -5.990 -8.498 7.141 1.00 0.00 C ATOM 0 H ALA A 50 -6.627 -6.530 5.679 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.301 -6.937 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.416 -9.116 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.033 -8.813 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.589 -8.611 6.134 1.00 0.00 H new ATOM 649 N ASP A 51 -4.087 -5.679 6.664 1.00 0.00 N ATOM 650 CA ASP A 51 -2.735 -5.164 6.581 1.00 0.00 C ATOM 651 C ASP A 51 -2.769 -3.650 6.432 1.00 0.00 C ATOM 652 O ASP A 51 -1.767 -3.038 6.068 1.00 0.00 O ATOM 653 CB ASP A 51 -2.019 -5.808 5.397 1.00 0.00 C ATOM 654 CG ASP A 51 -2.172 -7.322 5.428 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.652 -7.823 6.468 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.806 -7.951 4.411 1.00 0.00 O ATOM 0 H ASP A 51 -4.725 -5.299 5.965 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.191 -5.407 7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.425 -5.416 4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.961 -5.545 5.419 1.00 0.00 H new ATOM 661 N PHE A 52 -3.925 -3.045 6.713 1.00 0.00 N ATOM 662 CA PHE A 52 -4.080 -1.608 6.608 1.00 0.00 C ATOM 663 C PHE A 52 -3.613 -0.943 7.895 1.00 0.00 C ATOM 664 O PHE A 52 -4.186 -1.172 8.958 1.00 0.00 O ATOM 665 CB PHE A 52 -5.542 -1.275 6.326 1.00 0.00 C ATOM 666 CG PHE A 52 -6.284 -0.751 7.532 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.905 0.465 8.114 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.354 -1.479 8.067 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.595 0.951 9.231 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.043 -0.993 9.184 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.664 0.223 9.766 1.00 0.00 C ATOM 0 H PHE A 52 -4.765 -3.537 7.015 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.470 -1.231 5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.590 -0.533 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.046 -2.169 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.081 1.028 7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.648 -2.416 7.617 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.302 1.888 9.680 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.867 -1.556 9.597 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.196 0.599 10.627 1.00 0.00 H new ATOM 681 N SER A 53 -2.569 -0.117 7.797 1.00 0.00 N ATOM 682 CA SER A 53 -2.033 0.576 8.951 1.00 0.00 C ATOM 683 C SER A 53 -2.293 2.070 8.823 1.00 0.00 C ATOM 684 O SER A 53 -2.902 2.516 7.853 1.00 0.00 O ATOM 685 CB SER A 53 -0.537 0.295 9.063 1.00 0.00 C ATOM 686 OG SER A 53 -0.087 0.650 10.351 1.00 0.00 O ATOM 0 H SER A 53 -2.082 0.083 6.923 1.00 0.00 H new ATOM 0 HA SER A 53 -2.525 0.218 9.855 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.339 -0.760 8.875 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.008 0.861 8.307 1.00 0.00 H new ATOM 0 HG SER A 53 0.873 0.468 10.424 1.00 0.00 H new ATOM 692 N SER A 54 -1.828 2.845 9.806 1.00 0.00 N ATOM 693 CA SER A 54 -2.011 4.282 9.797 1.00 0.00 C ATOM 694 C SER A 54 -0.802 4.961 10.426 1.00 0.00 C ATOM 695 O SER A 54 -0.088 4.351 11.219 1.00 0.00 O ATOM 696 CB SER A 54 -3.286 4.637 10.555 1.00 0.00 C ATOM 697 OG SER A 54 -3.155 4.244 11.903 1.00 0.00 O ATOM 0 H SER A 54 -1.321 2.491 10.617 1.00 0.00 H new ATOM 0 HA SER A 54 -2.106 4.633 8.770 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.472 5.709 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.143 4.139 10.101 1.00 0.00 H new ATOM 0 HG SER A 54 -3.973 4.473 12.392 1.00 0.00 H new ATOM 703 N VAL A 55 -0.575 6.227 10.070 1.00 0.00 N ATOM 704 CA VAL A 55 0.542 6.982 10.601 1.00 0.00 C ATOM 705 C VAL A 55 0.366 8.459 10.278 1.00 0.00 C ATOM 706 O VAL A 55 -0.352 8.811 9.345 1.00 0.00 O ATOM 707 CB VAL A 55 1.843 6.450 10.005 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.747 6.461 8.483 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.004 7.336 10.448 1.00 0.00 C ATOM 0 H VAL A 55 -1.158 6.745 9.413 1.00 0.00 H new ATOM 0 HA VAL A 55 0.580 6.869 11.684 1.00 0.00 H new ATOM 0 HB VAL A 55 2.011 5.430 10.351 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.676 6.081 8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.917 5.829 8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.579 7.481 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.934 6.957 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.836 8.356 10.102 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.073 7.329 11.536 1.00 0.00 H new ATOM 719 N THR A 56 1.023 9.325 11.053 1.00 0.00 N ATOM 720 CA THR A 56 0.933 10.756 10.842 1.00 0.00 C ATOM 721 C THR A 56 2.329 11.354 10.741 1.00 0.00 C ATOM 722 O THR A 56 3.195 11.058 11.561 1.00 0.00 O ATOM 723 CB THR A 56 0.155 11.390 11.991 1.00 0.00 C ATOM 724 OG1 THR A 56 -1.087 10.739 12.133 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.078 12.869 11.692 1.00 0.00 C ATOM 0 H THR A 56 1.622 9.051 11.832 1.00 0.00 H new ATOM 0 HA THR A 56 0.407 10.957 9.909 1.00 0.00 H new ATOM 0 HB THR A 56 0.725 11.291 12.915 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.586 11.145 12.872 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.634 13.323 12.512 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.882 13.373 11.581 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.649 12.968 10.769 1.00 0.00 H new ATOM 733 N ALA A 57 2.545 12.198 9.730 1.00 0.00 N ATOM 734 CA ALA A 57 3.832 12.833 9.526 1.00 0.00 C ATOM 735 C ALA A 57 4.141 13.760 10.693 1.00 0.00 C ATOM 736 O ALA A 57 3.229 14.263 11.346 1.00 0.00 O ATOM 737 CB ALA A 57 3.813 13.606 8.210 1.00 0.00 C ATOM 0 H ALA A 57 1.837 12.453 9.042 1.00 0.00 H new ATOM 0 HA ALA A 57 4.613 12.074 9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.780 14.084 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.612 12.919 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.034 14.367 8.246 1.00 0.00 H new ATOM 743 N ASP A 58 5.430 13.984 10.954 1.00 0.00 N ATOM 744 CA ASP A 58 5.851 14.846 12.040 1.00 0.00 C ATOM 745 C ASP A 58 6.056 16.263 11.523 1.00 0.00 C ATOM 746 O ASP A 58 5.726 16.561 10.377 1.00 0.00 O ATOM 747 CB ASP A 58 7.139 14.302 12.651 1.00 0.00 C ATOM 748 CG ASP A 58 8.280 14.346 11.644 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.059 14.932 10.562 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.351 13.794 11.974 1.00 0.00 O ATOM 0 H ASP A 58 6.197 13.575 10.421 1.00 0.00 H new ATOM 0 HA ASP A 58 5.081 14.869 12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.404 14.887 13.532 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.983 13.276 12.985 1.00 0.00 H new ATOM 755 N ALA A 59 6.602 17.137 12.371 1.00 0.00 N ATOM 756 CA ALA A 59 6.846 18.516 11.996 1.00 0.00 C ATOM 757 C ALA A 59 7.808 18.567 10.818 1.00 0.00 C ATOM 758 O ALA A 59 7.757 19.494 10.013 1.00 0.00 O ATOM 759 CB ALA A 59 7.415 19.274 13.192 1.00 0.00 C ATOM 0 H ALA A 59 6.882 16.905 13.324 1.00 0.00 H new ATOM 0 HA ALA A 59 5.910 18.987 11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.599 20.311 12.911 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.702 19.242 14.016 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.351 18.811 13.504 1.00 0.00 H new ATOM 765 N ASN A 60 8.687 17.567 10.718 1.00 0.00 N ATOM 766 CA ASN A 60 9.653 17.505 9.640 1.00 0.00 C ATOM 767 C ASN A 60 8.966 17.079 8.351 1.00 0.00 C ATOM 768 O ASN A 60 9.566 17.124 7.279 1.00 0.00 O ATOM 769 CB ASN A 60 10.764 16.526 10.010 1.00 0.00 C ATOM 770 CG ASN A 60 12.049 17.266 10.353 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.055 18.491 10.448 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.138 16.518 10.541 1.00 0.00 N ATOM 0 H ASN A 60 8.742 16.791 11.377 1.00 0.00 H new ATOM 0 HA ASN A 60 10.091 18.491 9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.451 15.919 10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.944 15.843 9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.027 16.961 10.775 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.082 15.504 10.451 1.00 0.00 H new ATOM 779 N GLY A 61 7.701 16.664 8.455 1.00 0.00 N ATOM 780 CA GLY A 61 6.943 16.234 7.297 1.00 0.00 C ATOM 781 C GLY A 61 7.314 14.806 6.925 1.00 0.00 C ATOM 782 O GLY A 61 6.883 14.298 5.892 1.00 0.00 O ATOM 0 H GLY A 61 7.187 16.620 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.876 16.296 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.141 16.899 6.457 1.00 0.00 H new ATOM 786 N SER A 62 8.119 14.157 7.770 1.00 0.00 N ATOM 787 CA SER A 62 8.542 12.793 7.526 1.00 0.00 C ATOM 788 C SER A 62 7.688 11.833 8.341 1.00 0.00 C ATOM 789 O SER A 62 7.380 12.103 9.500 1.00 0.00 O ATOM 790 CB SER A 62 10.017 12.647 7.891 1.00 0.00 C ATOM 791 OG SER A 62 10.182 12.861 9.274 1.00 0.00 O ATOM 0 H SER A 62 8.487 14.564 8.630 1.00 0.00 H new ATOM 0 HA SER A 62 8.415 12.552 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.373 11.653 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.615 13.363 7.327 1.00 0.00 H new ATOM 0 HG SER A 62 11.129 12.766 9.509 1.00 0.00 H new ATOM 797 N ALA A 63 7.305 10.708 7.732 1.00 0.00 N ATOM 798 CA ALA A 63 6.489 9.716 8.402 1.00 0.00 C ATOM 799 C ALA A 63 7.220 8.381 8.428 1.00 0.00 C ATOM 800 O ALA A 63 8.182 8.183 7.689 1.00 0.00 O ATOM 801 CB ALA A 63 5.152 9.585 7.678 1.00 0.00 C ATOM 0 H ALA A 63 7.553 10.469 6.772 1.00 0.00 H new ATOM 0 HA ALA A 63 6.302 10.027 9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.537 8.839 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.637 10.546 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.325 9.277 6.647 1.00 0.00 H new ATOM 807 N SER A 64 6.762 7.464 9.284 1.00 0.00 N ATOM 808 CA SER A 64 7.373 6.156 9.401 1.00 0.00 C ATOM 809 C SER A 64 6.323 5.128 9.796 1.00 0.00 C ATOM 810 O SER A 64 5.600 5.319 10.771 1.00 0.00 O ATOM 811 CB SER A 64 8.493 6.209 10.436 1.00 0.00 C ATOM 812 OG SER A 64 7.951 6.029 11.725 1.00 0.00 O ATOM 0 H SER A 64 5.966 7.613 9.905 1.00 0.00 H new ATOM 0 HA SER A 64 7.796 5.862 8.441 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.231 5.434 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.011 7.166 10.378 1.00 0.00 H new ATOM 0 HG SER A 64 6.973 6.062 11.676 1.00 0.00 H new ATOM 818 N THR A 65 6.239 4.034 9.035 1.00 0.00 N ATOM 819 CA THR A 65 5.280 2.985 9.313 1.00 0.00 C ATOM 820 C THR A 65 5.654 1.723 8.549 1.00 0.00 C ATOM 821 O THR A 65 6.286 1.796 7.497 1.00 0.00 O ATOM 822 CB THR A 65 3.882 3.459 8.924 1.00 0.00 C ATOM 823 OG1 THR A 65 3.041 3.421 10.055 1.00 0.00 O ATOM 824 CG2 THR A 65 3.319 2.544 7.840 1.00 0.00 C ATOM 0 H THR A 65 6.829 3.860 8.222 1.00 0.00 H new ATOM 0 HA THR A 65 5.289 2.754 10.378 1.00 0.00 H new ATOM 0 HB THR A 65 3.936 4.480 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.105 3.395 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.321 2.881 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.969 2.573 6.966 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.265 1.523 8.218 1.00 0.00 H new ATOM 832 N SER A 66 5.260 0.563 9.080 1.00 0.00 N ATOM 833 CA SER A 66 5.554 -0.706 8.446 1.00 0.00 C ATOM 834 C SER A 66 4.277 -1.308 7.877 1.00 0.00 C ATOM 835 O SER A 66 3.297 -1.484 8.598 1.00 0.00 O ATOM 836 CB SER A 66 6.189 -1.648 9.465 1.00 0.00 C ATOM 837 OG SER A 66 7.588 -1.656 9.289 1.00 0.00 O ATOM 0 H SER A 66 4.735 0.486 9.951 1.00 0.00 H new ATOM 0 HA SER A 66 6.256 -0.553 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.941 -1.327 10.477 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.791 -2.655 9.343 1.00 0.00 H new ATOM 0 HG SER A 66 7.997 -2.260 9.944 1.00 0.00 H new ATOM 843 N LEU A 67 4.290 -1.624 6.580 1.00 0.00 N ATOM 844 CA LEU A 67 3.136 -2.204 5.922 1.00 0.00 C ATOM 845 C LEU A 67 3.376 -3.686 5.672 1.00 0.00 C ATOM 846 O LEU A 67 4.341 -4.058 5.008 1.00 0.00 O ATOM 847 CB LEU A 67 2.876 -1.469 4.611 1.00 0.00 C ATOM 848 CG LEU A 67 1.372 -1.359 4.379 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.843 -2.679 3.826 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.676 -1.045 5.701 1.00 0.00 C ATOM 0 H LEU A 67 5.095 -1.484 5.969 1.00 0.00 H new ATOM 0 HA LEU A 67 2.258 -2.101 6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.323 -0.476 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.344 -2.002 3.784 1.00 0.00 H new ATOM 0 HG LEU A 67 1.172 -0.561 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.231 -2.600 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.340 -2.903 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.042 -3.478 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.399 -0.966 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.876 -1.843 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.053 -0.101 6.095 1.00 0.00 H new ATOM 862 N THR A 68 2.493 -4.534 6.205 1.00 0.00 N ATOM 863 CA THR A 68 2.616 -5.968 6.033 1.00 0.00 C ATOM 864 C THR A 68 2.135 -6.367 4.646 1.00 0.00 C ATOM 865 O THR A 68 1.167 -5.808 4.136 1.00 0.00 O ATOM 866 CB THR A 68 1.804 -6.679 7.112 1.00 0.00 C ATOM 867 OG1 THR A 68 1.815 -8.068 6.869 1.00 0.00 O ATOM 868 CG2 THR A 68 0.366 -6.170 7.086 1.00 0.00 C ATOM 0 H THR A 68 1.687 -4.244 6.759 1.00 0.00 H new ATOM 0 HA THR A 68 3.662 -6.261 6.129 1.00 0.00 H new ATOM 0 HB THR A 68 2.243 -6.477 8.089 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.435 -8.538 7.641 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.214 -6.678 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.357 -5.096 7.273 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.074 -6.372 6.109 1.00 0.00 H new ATOM 876 N VAL A 69 2.816 -7.340 4.035 1.00 0.00 N ATOM 877 CA VAL A 69 2.457 -7.810 2.712 1.00 0.00 C ATOM 878 C VAL A 69 1.995 -9.259 2.789 1.00 0.00 C ATOM 879 O VAL A 69 2.664 -10.095 3.392 1.00 0.00 O ATOM 880 CB VAL A 69 3.658 -7.674 1.782 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.921 -7.451 2.609 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.810 -8.949 0.957 1.00 0.00 C ATOM 0 H VAL A 69 3.621 -7.814 4.445 1.00 0.00 H new ATOM 0 HA VAL A 69 1.639 -7.208 2.317 1.00 0.00 H new ATOM 0 HB VAL A 69 3.506 -6.825 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.779 -7.354 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.814 -6.540 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.073 -8.299 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.668 -8.852 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.961 -9.798 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.909 -9.109 0.365 1.00 0.00 H new ATOM 892 N ARG A 70 0.847 -9.554 2.174 1.00 0.00 N ATOM 893 CA ARG A 70 0.302 -10.897 2.175 1.00 0.00 C ATOM 894 C ARG A 70 0.318 -11.461 0.762 1.00 0.00 C ATOM 895 O ARG A 70 0.337 -10.708 -0.209 1.00 0.00 O ATOM 896 CB ARG A 70 -1.119 -10.867 2.729 1.00 0.00 C ATOM 897 CG ARG A 70 -1.085 -11.124 4.233 1.00 0.00 C ATOM 898 CD ARG A 70 0.033 -10.301 4.865 1.00 0.00 C ATOM 899 NE ARG A 70 -0.204 -10.103 6.295 1.00 0.00 N ATOM 900 CZ ARG A 70 0.187 -10.984 7.225 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.827 -12.104 6.859 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.061 -10.747 8.520 1.00 0.00 N ATOM 0 H ARG A 70 0.281 -8.872 1.669 1.00 0.00 H new ATOM 0 HA ARG A 70 0.912 -11.541 2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.580 -9.901 2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.730 -11.622 2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.043 -10.859 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.925 -12.184 4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.988 -10.805 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.103 -9.334 4.367 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.688 -9.257 6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.016 -12.285 5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.125 -12.775 7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.548 -9.895 8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.237 -11.418 9.228 1.00 0.00 H new ATOM 916 N ARG A 71 0.311 -12.791 0.649 1.00 0.00 N ATOM 917 CA ARG A 71 0.325 -13.449 -0.642 1.00 0.00 C ATOM 918 C ARG A 71 -1.095 -13.569 -1.176 1.00 0.00 C ATOM 919 O ARG A 71 -1.296 -13.865 -2.352 1.00 0.00 O ATOM 920 CB ARG A 71 0.967 -14.827 -0.503 1.00 0.00 C ATOM 921 CG ARG A 71 0.096 -15.706 0.390 1.00 0.00 C ATOM 922 CD ARG A 71 -0.472 -16.860 -0.431 1.00 0.00 C ATOM 923 NE ARG A 71 -1.350 -17.701 0.382 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.621 -18.977 0.075 1.00 0.00 C ATOM 925 NH1 ARG A 71 -1.080 -19.533 -1.017 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.434 -19.697 0.860 1.00 0.00 N ATOM 0 H ARG A 71 0.296 -13.429 1.445 1.00 0.00 H new ATOM 0 HA ARG A 71 0.909 -12.859 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.081 -15.287 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.966 -14.733 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.684 -16.093 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.715 -15.117 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.027 -16.466 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.344 -17.461 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.774 -17.299 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.462 -18.985 -1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.286 -20.504 -1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.847 -19.274 1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.640 -20.668 0.626 1.00 0.00 H new ATOM 940 N SER A 72 -2.083 -13.336 -0.308 1.00 0.00 N ATOM 941 CA SER A 72 -3.476 -13.418 -0.697 1.00 0.00 C ATOM 942 C SER A 72 -4.355 -12.844 0.406 1.00 0.00 C ATOM 943 O SER A 72 -4.054 -13.001 1.587 1.00 0.00 O ATOM 944 CB SER A 72 -3.841 -14.873 -0.978 1.00 0.00 C ATOM 945 OG SER A 72 -3.696 -15.629 0.203 1.00 0.00 O ATOM 0 H SER A 72 -1.934 -13.089 0.670 1.00 0.00 H new ATOM 0 HA SER A 72 -3.639 -12.835 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.867 -14.938 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.199 -15.276 -1.762 1.00 0.00 H new ATOM 0 HG SER A 72 -3.932 -16.563 0.024 1.00 0.00 H new ATOM 951 N PHE A 73 -5.445 -12.178 0.017 1.00 0.00 N ATOM 952 CA PHE A 73 -6.359 -11.588 0.974 1.00 0.00 C ATOM 953 C PHE A 73 -7.545 -10.973 0.244 1.00 0.00 C ATOM 954 O PHE A 73 -7.452 -10.660 -0.941 1.00 0.00 O ATOM 955 CB PHE A 73 -5.623 -10.534 1.796 1.00 0.00 C ATOM 956 CG PHE A 73 -4.812 -9.575 0.958 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.450 -8.538 0.266 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.422 -9.720 0.875 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.697 -7.647 -0.509 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.670 -8.830 0.100 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.308 -7.793 -0.592 1.00 0.00 C ATOM 0 H PHE A 73 -5.709 -12.038 -0.958 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.733 -12.359 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.349 -9.969 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.962 -11.033 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.522 -8.425 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.930 -10.519 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.189 -6.847 -1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.598 -8.943 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.728 -7.106 -1.190 1.00 0.00 H new ATOM 971 N GLU A 74 -8.662 -10.799 0.954 1.00 0.00 N ATOM 972 CA GLU A 74 -9.855 -10.222 0.369 1.00 0.00 C ATOM 973 C GLU A 74 -9.553 -8.825 -0.155 1.00 0.00 C ATOM 974 O GLU A 74 -9.116 -7.958 0.599 1.00 0.00 O ATOM 975 CB GLU A 74 -10.964 -10.179 1.416 1.00 0.00 C ATOM 976 CG GLU A 74 -10.483 -9.398 2.635 1.00 0.00 C ATOM 977 CD GLU A 74 -11.134 -9.921 3.907 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.382 -9.867 3.969 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.373 -10.364 4.794 1.00 0.00 O ATOM 0 H GLU A 74 -8.756 -11.053 1.937 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.186 -10.837 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.855 -9.710 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.244 -11.192 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.399 -9.477 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.717 -8.341 2.510 1.00 0.00 H new ATOM 986 N GLY A 75 -9.789 -8.607 -1.451 1.00 0.00 N ATOM 987 CA GLY A 75 -9.541 -7.317 -2.063 1.00 0.00 C ATOM 988 C GLY A 75 -10.726 -6.388 -1.834 1.00 0.00 C ATOM 989 O GLY A 75 -11.761 -6.529 -2.481 1.00 0.00 O ATOM 0 H GLY A 75 -10.152 -9.314 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.637 -6.875 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.368 -7.441 -3.132 1.00 0.00 H new ATOM 993 N PHE A 76 -10.571 -5.436 -0.911 1.00 0.00 N ATOM 994 CA PHE A 76 -11.626 -4.492 -0.605 1.00 0.00 C ATOM 995 C PHE A 76 -11.576 -3.326 -1.581 1.00 0.00 C ATOM 996 O PHE A 76 -10.751 -2.426 -1.435 1.00 0.00 O ATOM 997 CB PHE A 76 -11.467 -4.003 0.832 1.00 0.00 C ATOM 998 CG PHE A 76 -12.455 -4.621 1.792 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.263 -5.932 2.247 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.565 -3.886 2.226 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.180 -6.506 3.135 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.482 -4.460 3.114 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.290 -5.770 3.569 1.00 0.00 C ATOM 0 H PHE A 76 -9.719 -5.306 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.596 -4.980 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.455 -4.224 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.581 -2.919 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.407 -6.500 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.714 -2.875 1.875 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.032 -7.517 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.338 -3.892 3.448 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.997 -6.213 4.254 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.462 -3.342 -2.580 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.515 -2.288 -3.573 1.00 0.00 C ATOM 1015 C LEU A 77 -12.657 -0.938 -2.886 1.00 0.00 C ATOM 1016 O LEU A 77 -13.408 -0.805 -1.922 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.685 -2.540 -4.519 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.150 -1.215 -5.116 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.010 -0.587 -5.912 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.340 -1.463 -6.040 1.00 0.00 C ATOM 0 H LEU A 77 -13.152 -4.081 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.592 -2.282 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.384 -3.223 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.505 -3.017 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.447 -0.540 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.342 0.359 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.160 -0.410 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.712 -1.262 -6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.673 -0.517 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.043 -2.139 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.155 -1.911 -5.471 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.935 0.067 -3.386 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.986 1.400 -2.819 1.00 0.00 C ATOM 1034 C PHE A 78 -13.435 1.815 -2.606 1.00 0.00 C ATOM 1035 O PHE A 78 -13.770 2.402 -1.579 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.274 2.376 -3.751 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.862 2.697 -3.324 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.999 1.668 -2.929 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.417 4.025 -3.320 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.691 1.966 -2.531 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.108 4.322 -2.921 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.245 3.293 -2.527 1.00 0.00 C ATOM 0 H PHE A 78 -11.308 -0.026 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.482 1.408 -1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.254 1.956 -4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.848 3.301 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.343 0.644 -2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.083 4.819 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.025 1.172 -2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.764 5.346 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.235 3.523 -2.220 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.295 1.508 -3.579 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.700 1.851 -3.494 1.00 0.00 C ATOM 1054 C ASP A 79 -16.301 1.248 -2.232 1.00 0.00 C ATOM 1055 O ASP A 79 -17.376 1.656 -1.798 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.424 1.339 -4.736 1.00 0.00 C ATOM 1057 CG ASP A 79 -15.794 1.901 -6.002 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -15.843 3.140 -6.160 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -15.274 1.081 -6.789 1.00 0.00 O ATOM 0 H ASP A 79 -14.033 1.020 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.812 2.934 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.388 0.250 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.476 1.622 -4.692 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.606 0.272 -1.643 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.078 -0.378 -0.437 1.00 0.00 C ATOM 1066 C GLY A 80 -16.826 -1.657 -0.785 1.00 0.00 C ATOM 1067 O GLY A 80 -17.689 -2.100 -0.030 1.00 0.00 O ATOM 0 H GLY A 80 -14.713 -0.080 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.235 -0.607 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.733 0.296 0.115 1.00 0.00 H new ATOM 1071 N THR A 81 -16.494 -2.251 -1.934 1.00 0.00 N ATOM 1072 CA THR A 81 -17.136 -3.473 -2.372 1.00 0.00 C ATOM 1073 C THR A 81 -16.164 -4.639 -2.257 1.00 0.00 C ATOM 1074 O THR A 81 -14.957 -4.461 -2.400 1.00 0.00 O ATOM 1075 CB THR A 81 -17.614 -3.308 -3.812 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.902 -2.736 -3.816 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.661 -4.673 -4.492 1.00 0.00 C ATOM 0 H THR A 81 -15.782 -1.897 -2.573 1.00 0.00 H new ATOM 0 HA THR A 81 -17.998 -3.682 -1.738 1.00 0.00 H new ATOM 0 HB THR A 81 -16.926 -2.657 -4.352 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.209 -2.628 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.002 -4.556 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.665 -5.116 -4.489 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.349 -5.324 -3.953 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.696 -5.836 -1.998 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.877 -7.024 -1.864 1.00 0.00 C ATOM 1087 C ARG A 82 -15.481 -7.536 -3.242 1.00 0.00 C ATOM 1088 O ARG A 82 -16.236 -8.273 -3.872 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.650 -8.090 -1.093 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.211 -8.080 0.368 1.00 0.00 C ATOM 1091 CD ARG A 82 -17.368 -8.542 1.250 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.885 -9.357 2.365 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.708 -9.989 3.212 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -19.036 -9.890 3.056 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -17.205 -10.720 4.216 1.00 0.00 N ATOM 0 H ARG A 82 -17.696 -5.999 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.968 -6.783 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.721 -7.900 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.471 -9.072 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.351 -8.736 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.897 -7.077 0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.905 -7.675 1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.077 -9.118 0.654 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.878 -9.448 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.420 -9.333 2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.663 -10.371 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.195 -10.795 4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.832 -11.201 4.861 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.294 -7.143 -3.710 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.809 -7.567 -5.008 1.00 0.00 C ATOM 1111 C TRP A 83 -13.635 -9.079 -5.027 1.00 0.00 C ATOM 1112 O TRP A 83 -13.941 -9.729 -6.024 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.488 -6.866 -5.310 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.275 -6.516 -6.748 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.304 -5.266 -7.259 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.002 -7.402 -7.876 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.069 -5.317 -8.616 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.876 -6.612 -9.051 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.848 -8.791 -8.027 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.611 -7.168 -10.305 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.582 -9.360 -9.281 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -11.464 -8.554 -10.420 1.00 0.00 C ATOM 0 H TRP A 83 -13.656 -6.530 -3.202 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.533 -7.296 -5.777 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.434 -5.953 -4.717 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.670 -7.507 -4.982 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.484 -4.365 -6.691 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.041 -4.498 -9.224 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.936 -9.432 -7.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.521 -6.535 -11.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -11.467 -10.430 -9.369 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -11.261 -9.000 -11.382 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.141 -9.639 -3.920 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.931 -11.070 -3.821 1.00 0.00 C ATOM 1135 C GLY A 84 -11.496 -11.364 -3.404 1.00 0.00 C ATOM 1136 O GLY A 84 -10.658 -10.465 -3.376 1.00 0.00 O ATOM 0 H GLY A 84 -12.881 -9.116 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.623 -11.497 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.143 -11.543 -4.780 1.00 0.00 H new ATOM 1140 N THR A 85 -11.214 -12.628 -3.079 1.00 0.00 N ATOM 1141 CA THR A 85 -9.885 -13.029 -2.668 1.00 0.00 C ATOM 1142 C THR A 85 -8.869 -12.624 -3.726 1.00 0.00 C ATOM 1143 O THR A 85 -9.063 -12.891 -4.910 1.00 0.00 O ATOM 1144 CB THR A 85 -9.857 -14.538 -2.442 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.166 -15.000 -2.190 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.966 -14.858 -1.245 1.00 0.00 C ATOM 0 H THR A 85 -11.896 -13.386 -3.096 1.00 0.00 H new ATOM 0 HA THR A 85 -9.625 -12.529 -1.735 1.00 0.00 H new ATOM 0 HB THR A 85 -9.462 -15.030 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.149 -15.969 -2.047 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.946 -15.936 -1.084 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.954 -14.502 -1.439 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.360 -14.365 -0.356 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.783 -11.977 -3.296 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.744 -11.539 -4.205 1.00 0.00 C ATOM 1156 C VAL A 86 -5.495 -12.385 -4.005 1.00 0.00 C ATOM 1157 O VAL A 86 -5.279 -12.932 -2.926 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.443 -10.063 -3.959 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.967 -9.791 -4.235 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.300 -9.208 -4.888 1.00 0.00 C ATOM 0 H VAL A 86 -7.608 -11.748 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.080 -11.661 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.670 -9.814 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.752 -8.737 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.354 -10.402 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.739 -10.040 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.086 -8.154 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.073 -9.457 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.354 -9.401 -4.691 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.670 -12.491 -5.049 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.449 -13.269 -4.983 1.00 0.00 C ATOM 1172 C ASP A 87 -2.264 -12.403 -5.386 1.00 0.00 C ATOM 1173 O ASP A 87 -2.001 -12.222 -6.573 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.570 -14.482 -5.900 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.025 -15.708 -5.123 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.559 -15.857 -3.973 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.832 -16.475 -5.693 1.00 0.00 O ATOM 0 H ASP A 87 -4.834 -12.042 -5.950 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.289 -13.617 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.280 -14.269 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.609 -14.683 -6.373 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.549 -11.866 -4.394 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.399 -11.023 -4.650 1.00 0.00 C ATOM 1184 C CYS A 88 0.571 -11.743 -5.577 1.00 0.00 C ATOM 1185 O CYS A 88 1.320 -11.103 -6.311 1.00 0.00 O ATOM 1186 CB CYS A 88 0.277 -10.672 -3.327 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.471 -9.266 -2.469 1.00 0.00 S ATOM 0 H CYS A 88 -1.755 -12.006 -3.405 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.719 -10.101 -5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.245 -11.543 -2.672 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.328 -10.453 -3.515 1.00 0.00 H new ATOM 1192 N THR A 89 0.555 -13.077 -5.543 1.00 0.00 N ATOM 1193 CA THR A 89 1.431 -13.871 -6.381 1.00 0.00 C ATOM 1194 C THR A 89 0.859 -13.964 -7.788 1.00 0.00 C ATOM 1195 O THR A 89 1.441 -14.611 -8.656 1.00 0.00 O ATOM 1196 CB THR A 89 1.596 -15.260 -5.771 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.367 -15.949 -5.833 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.032 -15.128 -4.314 1.00 0.00 C ATOM 0 H THR A 89 -0.060 -13.624 -4.940 1.00 0.00 H new ATOM 0 HA THR A 89 2.410 -13.396 -6.441 1.00 0.00 H new ATOM 0 HB THR A 89 2.352 -15.814 -6.328 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.472 -16.842 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.150 -16.120 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.982 -14.595 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.276 -14.574 -3.757 1.00 0.00 H new ATOM 1206 N THR A 90 -0.285 -13.315 -8.013 1.00 0.00 N ATOM 1207 CA THR A 90 -0.926 -13.330 -9.313 1.00 0.00 C ATOM 1208 C THR A 90 -0.975 -11.919 -9.882 1.00 0.00 C ATOM 1209 O THR A 90 -0.991 -11.738 -11.098 1.00 0.00 O ATOM 1210 CB THR A 90 -2.331 -13.909 -9.179 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.267 -15.316 -9.239 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.205 -13.391 -10.318 1.00 0.00 C ATOM 0 H THR A 90 -0.781 -12.774 -7.305 1.00 0.00 H new ATOM 0 HA THR A 90 -0.353 -13.955 -9.998 1.00 0.00 H new ATOM 0 HB THR A 90 -2.760 -13.605 -8.224 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.169 -15.689 -9.151 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.209 -13.804 -10.223 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.255 -12.303 -10.273 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.776 -13.695 -11.273 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.000 -10.919 -8.999 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.049 -9.532 -9.415 1.00 0.00 C ATOM 1222 C ALA A 91 -0.007 -8.727 -8.651 1.00 0.00 C ATOM 1223 O ALA A 91 0.747 -9.282 -7.855 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.448 -8.976 -9.169 1.00 0.00 C ATOM 0 H ALA A 91 -0.987 -11.054 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.826 -9.460 -10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.485 -7.933 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.175 -9.553 -9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.686 -9.045 -8.107 1.00 0.00 H new ATOM 1230 N ALA A 92 0.034 -7.415 -8.896 1.00 0.00 N ATOM 1231 CA ALA A 92 0.982 -6.543 -8.233 1.00 0.00 C ATOM 1232 C ALA A 92 0.295 -5.809 -7.090 1.00 0.00 C ATOM 1233 O ALA A 92 -0.714 -5.140 -7.297 1.00 0.00 O ATOM 1234 CB ALA A 92 1.555 -5.554 -9.243 1.00 0.00 C ATOM 0 H ALA A 92 -0.585 -6.940 -9.553 1.00 0.00 H new ATOM 0 HA ALA A 92 1.799 -7.135 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.268 -4.897 -8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.059 -6.100 -10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.747 -4.957 -9.666 1.00 0.00 H new ATOM 1240 N CYS A 93 0.845 -5.937 -5.880 1.00 0.00 N ATOM 1241 CA CYS A 93 0.285 -5.288 -4.712 1.00 0.00 C ATOM 1242 C CYS A 93 1.127 -4.075 -4.343 1.00 0.00 C ATOM 1243 O CYS A 93 2.319 -4.032 -4.639 1.00 0.00 O ATOM 1244 CB CYS A 93 0.232 -6.282 -3.555 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.673 -7.803 -3.933 1.00 0.00 S ATOM 0 H CYS A 93 1.682 -6.489 -5.692 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.728 -4.950 -4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.250 -6.540 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.233 -5.799 -2.695 1.00 0.00 H new ATOM 1250 N GLN A 94 0.505 -3.088 -3.695 1.00 0.00 N ATOM 1251 CA GLN A 94 1.199 -1.882 -3.292 1.00 0.00 C ATOM 1252 C GLN A 94 0.621 -1.366 -1.982 1.00 0.00 C ATOM 1253 O GLN A 94 -0.572 -1.515 -1.726 1.00 0.00 O ATOM 1254 CB GLN A 94 1.069 -0.830 -4.391 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.060 0.135 -4.042 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.656 0.750 -5.299 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.640 0.133 -6.362 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.183 1.971 -5.176 1.00 0.00 N ATOM 0 H GLN A 94 -0.483 -3.109 -3.441 1.00 0.00 H new ATOM 0 HA GLN A 94 2.256 -2.101 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.007 -0.285 -4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.867 -1.312 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.836 -0.392 -3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.318 0.923 -3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.172 2.442 -4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.596 2.432 -5.987 1.00 0.00 H new ATOM 1267 N VAL A 95 1.471 -0.758 -1.151 1.00 0.00 N ATOM 1268 CA VAL A 95 1.043 -0.224 0.126 1.00 0.00 C ATOM 1269 C VAL A 95 1.016 1.297 0.065 1.00 0.00 C ATOM 1270 O VAL A 95 1.663 1.897 -0.790 1.00 0.00 O ATOM 1271 CB VAL A 95 1.990 -0.705 1.221 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.919 0.248 2.411 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.581 -2.106 1.667 1.00 0.00 C ATOM 0 H VAL A 95 2.463 -0.627 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 95 0.037 -0.577 0.354 1.00 0.00 H new ATOM 0 HB VAL A 95 3.009 -0.729 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.596 -0.096 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.210 1.249 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.900 0.272 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.257 -2.451 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.562 -2.082 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.632 -2.787 0.818 1.00 0.00 H new ATOM 1283 N GLY A 96 0.266 1.920 0.976 1.00 0.00 N ATOM 1284 CA GLY A 96 0.163 3.365 1.018 1.00 0.00 C ATOM 1285 C GLY A 96 -0.700 3.799 2.194 1.00 0.00 C ATOM 1286 O GLY A 96 -1.314 2.967 2.858 1.00 0.00 O ATOM 0 H GLY A 96 -0.277 1.438 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.156 3.805 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.268 3.733 0.087 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.745 5.109 2.452 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.530 5.647 3.545 1.00 0.00 C ATOM 1292 C LEU A 97 -2.362 6.822 3.053 1.00 0.00 C ATOM 1293 O LEU A 97 -1.820 7.799 2.540 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.599 6.080 4.674 1.00 0.00 C ATOM 1295 CG LEU A 97 0.352 7.158 4.164 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.404 8.307 5.167 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.749 6.566 3.995 1.00 0.00 C ATOM 0 H LEU A 97 -0.241 5.812 1.911 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.207 4.881 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.181 6.461 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.032 5.224 5.041 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.003 7.531 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.084 9.077 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.593 8.730 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.759 7.935 6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.429 7.336 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.105 6.193 4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.712 5.746 3.278 1.00 0.00 H new ATOM 1309 N SER A 98 -3.684 6.726 3.211 1.00 0.00 N ATOM 1310 CA SER A 98 -4.583 7.780 2.784 1.00 0.00 C ATOM 1311 C SER A 98 -5.047 8.583 3.991 1.00 0.00 C ATOM 1312 O SER A 98 -5.063 8.074 5.109 1.00 0.00 O ATOM 1313 CB SER A 98 -5.773 7.167 2.051 1.00 0.00 C ATOM 1314 OG SER A 98 -5.398 6.849 0.730 1.00 0.00 O ATOM 0 H SER A 98 -4.149 5.923 3.634 1.00 0.00 H new ATOM 0 HA SER A 98 -4.062 8.454 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.111 6.270 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.609 7.866 2.045 1.00 0.00 H new ATOM 0 HG SER A 98 -6.161 6.454 0.259 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.427 9.842 3.761 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.890 10.708 4.828 1.00 0.00 C ATOM 1322 C ASP A 99 -7.356 11.054 4.611 1.00 0.00 C ATOM 1323 O ASP A 99 -8.055 10.364 3.872 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.035 11.971 4.863 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.651 13.069 4.007 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.802 12.822 2.791 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.959 14.133 4.585 1.00 0.00 O ATOM 0 H ASP A 99 -5.420 10.278 2.839 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.796 10.195 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.935 12.319 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.031 11.745 4.504 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.820 12.126 5.257 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.198 12.557 5.132 1.00 0.00 C ATOM 1334 C ALA A 100 -9.501 12.900 3.681 1.00 0.00 C ATOM 1335 O ALA A 100 -10.503 12.448 3.130 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.436 13.763 6.035 1.00 0.00 C ATOM 0 H ALA A 100 -7.252 12.708 5.873 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.865 11.752 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.472 14.088 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.233 13.488 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.773 14.576 5.739 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.633 13.703 3.062 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.813 14.104 1.681 1.00 0.00 C ATOM 1344 C ALA A 101 -8.485 12.938 0.759 1.00 0.00 C ATOM 1345 O ALA A 101 -8.993 12.865 -0.358 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.917 15.301 1.379 1.00 0.00 C ATOM 0 H ALA A 101 -7.797 14.085 3.505 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.851 14.393 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.052 15.603 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.183 16.129 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.875 15.027 1.545 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.632 12.024 1.228 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.244 10.871 0.441 1.00 0.00 C ATOM 1354 C GLY A 102 -5.898 11.115 -0.225 1.00 0.00 C ATOM 1355 O GLY A 102 -5.747 10.898 -1.426 1.00 0.00 O ATOM 0 H GLY A 102 -7.201 12.068 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.187 9.989 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.001 10.668 -0.317 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.916 11.569 0.558 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.590 11.839 0.041 1.00 0.00 C ATOM 1361 C ASN A 103 -2.564 10.983 0.770 1.00 0.00 C ATOM 1362 O ASN A 103 -2.870 10.384 1.799 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.273 13.322 0.208 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.829 13.852 1.523 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.724 14.694 1.526 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.298 13.354 2.641 1.00 0.00 N ATOM 0 H ASN A 103 -5.024 11.755 1.555 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.552 11.589 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.194 13.473 0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.697 13.885 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.634 13.671 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.556 12.656 2.586 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.342 10.928 0.236 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.282 10.146 0.841 1.00 0.00 C ATOM 1375 C GLY A 104 1.017 10.333 0.069 1.00 0.00 C ATOM 1376 O GLY A 104 1.071 11.110 -0.882 1.00 0.00 O ATOM 0 H GLY A 104 -1.070 11.419 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.143 10.449 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.559 9.092 0.851 1.00 0.00 H new ATOM 1380 N PRO A 105 2.065 9.616 0.481 1.00 0.00 N ATOM 1381 CA PRO A 105 3.376 9.662 -0.130 1.00 0.00 C ATOM 1382 C PRO A 105 3.335 8.958 -1.479 1.00 0.00 C ATOM 1383 O PRO A 105 2.441 8.154 -1.735 1.00 0.00 O ATOM 1384 CB PRO A 105 4.289 8.924 0.846 1.00 0.00 C ATOM 1385 CG PRO A 105 3.345 7.912 1.494 1.00 0.00 C ATOM 1386 CD PRO A 105 2.036 8.693 1.595 1.00 0.00 C ATOM 0 HA PRO A 105 3.724 10.679 -0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.117 8.434 0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.725 9.600 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.235 7.014 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.703 7.593 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.174 8.028 1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.964 9.223 2.545 1.00 0.00 H new ATOM 1394 N GLU A 106 4.306 9.262 -2.343 1.00 0.00 N ATOM 1395 CA GLU A 106 4.373 8.657 -3.658 1.00 0.00 C ATOM 1396 C GLU A 106 3.943 7.199 -3.582 1.00 0.00 C ATOM 1397 O GLU A 106 4.491 6.428 -2.797 1.00 0.00 O ATOM 1398 CB GLU A 106 5.795 8.773 -4.199 1.00 0.00 C ATOM 1399 CG GLU A 106 5.893 9.988 -5.117 1.00 0.00 C ATOM 1400 CD GLU A 106 6.549 9.618 -6.439 1.00 0.00 C ATOM 1401 OE1 GLU A 106 7.727 9.203 -6.391 1.00 0.00 O ATOM 1402 OE2 GLU A 106 5.861 9.757 -7.473 1.00 0.00 O ATOM 0 H GLU A 106 5.055 9.926 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 106 3.696 9.178 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.502 8.869 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.062 7.869 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.897 10.391 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.469 10.773 -4.628 1.00 0.00 H new ATOM 1409 N GLY A 107 2.958 6.820 -4.400 1.00 0.00 N ATOM 1410 CA GLY A 107 2.464 5.458 -4.418 1.00 0.00 C ATOM 1411 C GLY A 107 3.615 4.478 -4.238 1.00 0.00 C ATOM 1412 O GLY A 107 4.733 4.741 -4.676 1.00 0.00 O ATOM 0 H GLY A 107 2.492 7.446 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.731 5.319 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.953 5.261 -5.361 1.00 0.00 H new ATOM 1416 N VAL A 108 3.338 3.343 -3.591 1.00 0.00 N ATOM 1417 CA VAL A 108 4.347 2.330 -3.356 1.00 0.00 C ATOM 1418 C VAL A 108 3.977 1.053 -4.097 1.00 0.00 C ATOM 1419 O VAL A 108 3.087 0.321 -3.669 1.00 0.00 O ATOM 1420 CB VAL A 108 4.467 2.071 -1.857 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.008 0.663 -1.626 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.421 3.090 -1.240 1.00 0.00 C ATOM 0 H VAL A 108 2.416 3.110 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 108 5.311 2.677 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 108 3.485 2.164 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.094 0.477 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.327 -0.065 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.990 0.570 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.507 2.906 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.403 2.997 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.035 4.096 -1.405 1.00 0.00 H new ATOM 1432 N ALA A 109 4.663 0.786 -5.210 1.00 0.00 N ATOM 1433 CA ALA A 109 4.403 -0.398 -6.004 1.00 0.00 C ATOM 1434 C ALA A 109 5.195 -1.574 -5.449 1.00 0.00 C ATOM 1435 O ALA A 109 6.358 -1.423 -5.082 1.00 0.00 O ATOM 1436 CB ALA A 109 4.782 -0.129 -7.457 1.00 0.00 C ATOM 0 H ALA A 109 5.405 1.382 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 109 3.342 -0.645 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.587 -1.019 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.190 0.702 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.841 0.123 -7.516 1.00 0.00 H new ATOM 1442 N ILE A 110 4.560 -2.747 -5.387 1.00 0.00 N ATOM 1443 CA ILE A 110 5.205 -3.941 -4.880 1.00 0.00 C ATOM 1444 C ILE A 110 5.370 -4.954 -6.004 1.00 0.00 C ATOM 1445 O ILE A 110 4.670 -4.885 -7.012 1.00 0.00 O ATOM 1446 CB ILE A 110 4.371 -4.525 -3.743 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.725 -3.392 -2.952 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.271 -5.341 -2.819 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.021 -3.965 -1.725 1.00 0.00 C ATOM 0 H ILE A 110 3.595 -2.886 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 110 6.194 -3.690 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 110 3.594 -5.169 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.482 -2.670 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.010 -2.858 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.676 -5.758 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.733 -6.151 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.048 -4.697 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.559 -3.156 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.253 -4.670 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.747 -4.479 -1.096 1.00 0.00 H new ATOM 1461 N SER A 111 6.300 -5.897 -5.830 1.00 0.00 N ATOM 1462 CA SER A 111 6.549 -6.917 -6.828 1.00 0.00 C ATOM 1463 C SER A 111 6.879 -8.237 -6.147 1.00 0.00 C ATOM 1464 O SER A 111 7.859 -8.331 -5.411 1.00 0.00 O ATOM 1465 CB SER A 111 7.697 -6.473 -7.732 1.00 0.00 C ATOM 1466 OG SER A 111 8.606 -7.538 -7.893 1.00 0.00 O ATOM 0 H SER A 111 6.890 -5.967 -5.001 1.00 0.00 H new ATOM 0 HA SER A 111 5.657 -7.060 -7.438 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.310 -6.161 -8.702 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.203 -5.611 -7.298 1.00 0.00 H new ATOM 0 HG SER A 111 9.342 -7.255 -8.474 1.00 0.00 H new ATOM 1472 N PHE A 112 6.058 -9.260 -6.394 1.00 0.00 N ATOM 1473 CA PHE A 112 6.269 -10.567 -5.804 1.00 0.00 C ATOM 1474 C PHE A 112 7.043 -11.451 -6.772 1.00 0.00 C ATOM 1475 O PHE A 112 6.615 -11.658 -7.905 1.00 0.00 O ATOM 1476 CB PHE A 112 4.920 -11.192 -5.461 1.00 0.00 C ATOM 1477 CG PHE A 112 4.097 -10.362 -4.505 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.440 -9.213 -4.963 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.988 -10.742 -3.162 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.675 -8.445 -4.077 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.223 -9.974 -2.277 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.567 -8.825 -2.734 1.00 0.00 C ATOM 0 H PHE A 112 5.241 -9.200 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 112 6.852 -10.468 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.354 -11.341 -6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.085 -12.177 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.523 -8.920 -5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.494 -11.628 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.168 -7.559 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.139 -10.268 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.978 -8.232 -2.051 1.00 0.00 H new ATOM 1492 N ASN A 113 8.186 -11.974 -6.322 1.00 0.00 N ATOM 1493 CA ASN A 113 9.010 -12.832 -7.149 1.00 0.00 C ATOM 1494 C ASN A 113 9.513 -12.058 -8.359 1.00 0.00 C ATOM 1495 O ASN A 113 10.060 -10.966 -8.218 1.00 0.00 O ATOM 1496 CB ASN A 113 8.199 -14.048 -7.584 1.00 0.00 C ATOM 1497 CG ASN A 113 7.672 -14.811 -6.377 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.310 -15.750 -5.908 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.505 -14.403 -5.873 1.00 0.00 N ATOM 0 H ASN A 113 8.555 -11.812 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 113 9.874 -13.172 -6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.365 -13.729 -8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.820 -14.706 -8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.106 -14.877 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.013 -13.617 -6.298 1.00 0.00 H new TER 1506 ASN A 113