USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= 0.508 K(o=1.2,f=-0.7!) USER MOD Set 1.2: A 96 THR OG1 : rot -179:sc= 0.668 USER MOD Set 2.1: A 73 SER OG : rot -92:sc= -1.08! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -2.67! C(o=-3.8!,f=-7.5!) USER MOD Set 3.1: A 17 ASN :FLIP amide:sc= -1.2 F(o=-3.4,f=-1.2) USER MOD Set 3.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 29 SER OG : rot 130:sc= -0.941 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 33 TYR OH : rot 155:sc= 0.0162 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.15 K(o=-1.1,f=-3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -8.2! C(o=-8.2!,f=-8.1!) USER MOD Single : A 45 SER OG : rot -52:sc= 0.446 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 64:sc= 0.358 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.461 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.18 K(o=-2.2,f=-2.8!) USER MOD Single : A 68 SER OG : rot 5:sc= 0.233 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.46) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.078) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -15:sc= -2.87! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 86:sc= 1.69 USER MOD Single : A 97 TYR OH : rot 71:sc= -2.89 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -8.7! C(o=-8.7!,f=-16!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -3.3 K(o=-3.3,f=-8.6!) USER MOD Single : A 109 SER OG : rot 141:sc= -6.38! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -34.523 -2.785 -2.776 1.00 0.00 N ATOM 2 CA ARG A 7 -33.737 -3.898 -2.256 1.00 0.00 C ATOM 3 C ARG A 7 -32.244 -3.587 -2.298 1.00 0.00 C ATOM 4 O ARG A 7 -31.825 -2.566 -2.842 1.00 0.00 O ATOM 5 CB ARG A 7 -34.029 -5.170 -3.055 1.00 0.00 C ATOM 6 CG ARG A 7 -35.504 -5.540 -3.089 1.00 0.00 C ATOM 7 CD ARG A 7 -35.702 -7.048 -3.124 1.00 0.00 C ATOM 8 NE ARG A 7 -37.083 -7.412 -3.431 1.00 0.00 N ATOM 9 CZ ARG A 7 -37.469 -8.649 -3.726 1.00 0.00 C ATOM 10 NH1 ARG A 7 -36.583 -9.634 -3.753 1.00 0.00 N ATOM 11 NH2 ARG A 7 -38.744 -8.902 -3.993 1.00 0.00 N ATOM 0 HA ARG A 7 -34.023 -4.054 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -33.672 -5.038 -4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -33.465 -5.997 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -36.004 -5.127 -2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.972 -5.090 -3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.038 -7.484 -3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.421 -7.473 -2.160 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.790 -6.677 -3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -35.602 -9.444 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -36.882 -10.583 -3.980 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -39.429 -8.147 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -39.039 -9.852 -4.219 1.00 0.00 H new ATOM 25 N ARG A 8 -31.451 -4.468 -1.693 1.00 0.00 N ATOM 26 CA ARG A 8 -30.003 -4.327 -1.656 1.00 0.00 C ATOM 27 C ARG A 8 -29.565 -2.879 -1.434 1.00 0.00 C ATOM 28 O ARG A 8 -30.349 -2.036 -0.999 1.00 0.00 O ATOM 29 CB ARG A 8 -29.392 -4.862 -2.948 1.00 0.00 C ATOM 30 CG ARG A 8 -30.143 -6.039 -3.550 1.00 0.00 C ATOM 31 CD ARG A 8 -29.244 -6.864 -4.457 1.00 0.00 C ATOM 32 NE ARG A 8 -29.363 -6.464 -5.856 1.00 0.00 N ATOM 33 CZ ARG A 8 -28.471 -6.777 -6.789 1.00 0.00 C ATOM 34 NH1 ARG A 8 -27.399 -7.491 -6.472 1.00 0.00 N ATOM 35 NH2 ARG A 8 -28.649 -6.376 -8.040 1.00 0.00 N ATOM 0 H ARG A 8 -31.798 -5.300 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 8 -29.644 -4.910 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -29.355 -4.056 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.363 -5.163 -2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -30.535 -6.670 -2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -30.999 -5.675 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -28.208 -6.756 -4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -29.500 -7.919 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 8 -30.176 -5.914 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.259 -7.801 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.715 -7.730 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -29.472 -5.826 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.963 -6.617 -8.755 1.00 0.00 H new ATOM 49 N CYS A 9 -28.295 -2.612 -1.721 1.00 0.00 N ATOM 50 CA CYS A 9 -27.724 -1.282 -1.562 1.00 0.00 C ATOM 51 C CYS A 9 -27.150 -0.791 -2.884 1.00 0.00 C ATOM 52 O CYS A 9 -26.965 -1.576 -3.815 1.00 0.00 O ATOM 53 CB CYS A 9 -26.635 -1.307 -0.491 1.00 0.00 C ATOM 54 SG CYS A 9 -27.254 -1.057 1.204 1.00 0.00 S ATOM 0 H CYS A 9 -27.636 -3.309 -2.069 1.00 0.00 H new ATOM 0 HA CYS A 9 -28.512 -0.596 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -26.115 -2.264 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.901 -0.533 -0.716 1.00 0.00 H new ATOM 59 N PRO A 10 -26.873 0.516 -2.999 1.00 0.00 N ATOM 60 CA PRO A 10 -26.313 1.088 -4.223 1.00 0.00 C ATOM 61 C PRO A 10 -24.906 0.573 -4.485 1.00 0.00 C ATOM 62 O PRO A 10 -24.300 -0.060 -3.622 1.00 0.00 O ATOM 63 CB PRO A 10 -26.302 2.590 -3.953 1.00 0.00 C ATOM 64 CG PRO A 10 -26.265 2.701 -2.473 1.00 0.00 C ATOM 65 CD PRO A 10 -27.051 1.532 -1.948 1.00 0.00 C ATOM 0 HA PRO A 10 -26.891 0.820 -5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.435 3.069 -4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.187 3.074 -4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.239 2.677 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.700 3.644 -2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.670 1.189 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -28.102 1.784 -1.804 1.00 0.00 H new ATOM 73 N SER A 11 -24.399 0.829 -5.681 1.00 0.00 N ATOM 74 CA SER A 11 -23.069 0.367 -6.056 1.00 0.00 C ATOM 75 C SER A 11 -22.029 0.797 -5.026 1.00 0.00 C ATOM 76 O SER A 11 -21.650 1.967 -4.972 1.00 0.00 O ATOM 77 CB SER A 11 -22.690 0.910 -7.435 1.00 0.00 C ATOM 78 OG SER A 11 -21.313 0.709 -7.702 1.00 0.00 O ATOM 0 H SER A 11 -24.886 1.353 -6.408 1.00 0.00 H new ATOM 0 HA SER A 11 -23.088 -0.722 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.288 0.416 -8.201 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.922 1.974 -7.487 1.00 0.00 H new ATOM 0 HG SER A 11 -21.097 1.063 -8.590 1.00 0.00 H new ATOM 84 N PRO A 12 -21.538 -0.144 -4.194 1.00 0.00 N ATOM 85 CA PRO A 12 -20.545 0.164 -3.172 1.00 0.00 C ATOM 86 C PRO A 12 -19.461 1.103 -3.688 1.00 0.00 C ATOM 87 O PRO A 12 -19.234 1.197 -4.895 1.00 0.00 O ATOM 88 CB PRO A 12 -19.931 -1.192 -2.822 1.00 0.00 C ATOM 89 CG PRO A 12 -20.833 -2.244 -3.393 1.00 0.00 C ATOM 90 CD PRO A 12 -21.928 -1.561 -4.173 1.00 0.00 C ATOM 0 HA PRO A 12 -20.999 0.670 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.927 -1.279 -3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.841 -1.307 -1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.269 -2.916 -4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -21.259 -2.852 -2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -22.008 -1.965 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.899 -1.698 -3.697 1.00 0.00 H new ATOM 98 N ARG A 13 -18.790 1.791 -2.772 1.00 0.00 N ATOM 99 CA ARG A 13 -17.713 2.690 -3.140 1.00 0.00 C ATOM 100 C ARG A 13 -16.477 1.898 -3.515 1.00 0.00 C ATOM 101 O ARG A 13 -16.401 0.698 -3.260 1.00 0.00 O ATOM 102 CB ARG A 13 -17.405 3.636 -1.986 1.00 0.00 C ATOM 103 CG ARG A 13 -17.425 5.099 -2.382 1.00 0.00 C ATOM 104 CD ARG A 13 -16.351 5.870 -1.647 1.00 0.00 C ATOM 105 NE ARG A 13 -16.399 7.299 -1.943 1.00 0.00 N ATOM 106 CZ ARG A 13 -15.654 8.206 -1.318 1.00 0.00 C ATOM 107 NH1 ARG A 13 -14.809 7.831 -0.368 1.00 0.00 N ATOM 108 NH2 ARG A 13 -15.755 9.487 -1.643 1.00 0.00 N ATOM 0 H ARG A 13 -18.976 1.741 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.024 3.279 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.131 3.473 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.424 3.392 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -17.273 5.191 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.403 5.527 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.467 5.719 -0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.372 5.477 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.039 7.619 -2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.730 6.846 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.238 8.528 0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.405 9.778 -2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.183 10.182 -1.163 1.00 0.00 H new ATOM 122 N ASP A 14 -15.514 2.569 -4.122 1.00 0.00 N ATOM 123 CA ASP A 14 -14.328 1.911 -4.597 1.00 0.00 C ATOM 124 C ASP A 14 -13.065 2.489 -3.972 1.00 0.00 C ATOM 125 O ASP A 14 -13.127 3.350 -3.094 1.00 0.00 O ATOM 126 CB ASP A 14 -14.286 2.051 -6.108 1.00 0.00 C ATOM 127 CG ASP A 14 -13.997 3.471 -6.557 1.00 0.00 C ATOM 128 OD1 ASP A 14 -14.582 4.408 -5.974 1.00 0.00 O ATOM 129 OD2 ASP A 14 -13.188 3.644 -7.491 1.00 0.00 O ATOM 0 H ASP A 14 -15.539 3.574 -4.294 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.364 0.860 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.522 1.385 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.240 1.730 -6.525 1.00 0.00 H new ATOM 134 N ILE A 15 -11.922 2.001 -4.434 1.00 0.00 N ATOM 135 CA ILE A 15 -10.634 2.445 -3.926 1.00 0.00 C ATOM 136 C ILE A 15 -9.559 2.316 -4.997 1.00 0.00 C ATOM 137 O ILE A 15 -9.605 1.409 -5.828 1.00 0.00 O ATOM 138 CB ILE A 15 -10.210 1.627 -2.699 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.870 2.127 -2.166 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.126 0.152 -3.054 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.550 1.613 -0.784 1.00 0.00 C ATOM 0 H ILE A 15 -11.862 1.292 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.743 3.491 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.960 1.753 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.078 1.824 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.877 3.217 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.824 -0.417 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.101 -0.196 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.392 0.010 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.585 2.006 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.323 1.938 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.511 0.524 -0.801 1.00 0.00 H new ATOM 153 N ASP A 16 -8.591 3.222 -4.973 1.00 0.00 N ATOM 154 CA ASP A 16 -7.499 3.185 -5.928 1.00 0.00 C ATOM 155 C ASP A 16 -6.381 2.290 -5.414 1.00 0.00 C ATOM 156 O ASP A 16 -6.276 2.039 -4.214 1.00 0.00 O ATOM 157 CB ASP A 16 -6.967 4.592 -6.177 1.00 0.00 C ATOM 158 CG ASP A 16 -6.510 4.798 -7.608 1.00 0.00 C ATOM 159 OD1 ASP A 16 -7.012 4.082 -8.500 1.00 0.00 O ATOM 160 OD2 ASP A 16 -5.653 5.676 -7.837 1.00 0.00 O ATOM 0 H ASP A 16 -8.542 3.989 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.873 2.779 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.745 5.318 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.134 4.786 -5.502 1.00 0.00 H new ATOM 165 N ASN A 17 -5.567 1.782 -6.332 1.00 0.00 N ATOM 166 CA ASN A 17 -4.456 0.899 -5.974 1.00 0.00 C ATOM 167 C ASN A 17 -4.899 -0.162 -4.970 1.00 0.00 C ATOM 168 O ASN A 17 -4.100 -0.651 -4.171 1.00 0.00 O ATOM 169 CB ASN A 17 -3.295 1.707 -5.388 1.00 0.00 C ATOM 170 CG ASN A 17 -3.167 3.082 -6.015 1.00 0.00 C ATOM 171 OD1 ASN A 17 -3.963 4.026 -5.529 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 -2.375 3.288 -6.934 1.00 0.00 N flip ATOM 0 H ASN A 17 -5.653 1.965 -7.332 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.123 0.400 -6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.438 1.814 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.365 1.157 -5.533 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.782 2.531 -7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.311 4.215 -7.354 1.00 0.00 H new ATOM 179 N GLY A 18 -6.184 -0.496 -5.004 1.00 0.00 N ATOM 180 CA GLY A 18 -6.720 -1.487 -4.093 1.00 0.00 C ATOM 181 C GLY A 18 -7.847 -2.285 -4.714 1.00 0.00 C ATOM 182 O GLY A 18 -8.234 -2.039 -5.856 1.00 0.00 O ATOM 0 H GLY A 18 -6.865 -0.096 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.923 -2.165 -3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.081 -0.992 -3.192 1.00 0.00 H new ATOM 186 N GLN A 19 -8.359 -3.261 -3.972 1.00 0.00 N ATOM 187 CA GLN A 19 -9.439 -4.107 -4.465 1.00 0.00 C ATOM 188 C GLN A 19 -10.457 -4.379 -3.367 1.00 0.00 C ATOM 189 O GLN A 19 -10.092 -4.682 -2.229 1.00 0.00 O ATOM 190 CB GLN A 19 -8.901 -5.445 -4.999 1.00 0.00 C ATOM 191 CG GLN A 19 -7.416 -5.441 -5.326 1.00 0.00 C ATOM 192 CD GLN A 19 -7.081 -6.297 -6.532 1.00 0.00 C ATOM 193 OE1 GLN A 19 -7.551 -6.039 -7.640 1.00 0.00 O ATOM 194 NE2 GLN A 19 -6.264 -7.323 -6.322 1.00 0.00 N ATOM 0 H GLN A 19 -8.044 -3.485 -3.028 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.922 -3.570 -5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.095 -6.222 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.457 -5.714 -5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.091 -4.417 -5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.857 -5.802 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.898 -7.500 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.003 -7.934 -7.096 1.00 0.00 H new ATOM 203 N LEU A 20 -11.734 -4.289 -3.716 1.00 0.00 N ATOM 204 CA LEU A 20 -12.799 -4.568 -2.766 1.00 0.00 C ATOM 205 C LEU A 20 -13.142 -6.049 -2.766 1.00 0.00 C ATOM 206 O LEU A 20 -12.883 -6.759 -3.738 1.00 0.00 O ATOM 207 CB LEU A 20 -14.053 -3.771 -3.103 1.00 0.00 C ATOM 208 CG LEU A 20 -13.814 -2.370 -3.650 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.120 -1.607 -3.668 1.00 0.00 C ATOM 210 CD2 LEU A 20 -12.778 -1.630 -2.820 1.00 0.00 C ATOM 0 H LEU A 20 -12.055 -4.026 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.442 -4.275 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.634 -4.333 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.664 -3.691 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.429 -2.451 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.950 -0.604 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.837 -2.128 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.516 -1.539 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.626 -0.632 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.127 -1.548 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.836 -2.178 -2.841 1.00 0.00 H new ATOM 222 N ASP A 21 -13.762 -6.499 -1.688 1.00 0.00 N ATOM 223 CA ASP A 21 -14.197 -7.885 -1.580 1.00 0.00 C ATOM 224 C ASP A 21 -15.688 -7.942 -1.273 1.00 0.00 C ATOM 225 O ASP A 21 -16.090 -8.252 -0.152 1.00 0.00 O ATOM 226 CB ASP A 21 -13.406 -8.614 -0.493 1.00 0.00 C ATOM 227 CG ASP A 21 -13.167 -10.072 -0.831 1.00 0.00 C ATOM 228 OD1 ASP A 21 -12.939 -10.868 0.104 1.00 0.00 O ATOM 229 OD2 ASP A 21 -13.209 -10.418 -2.030 1.00 0.00 O ATOM 0 H ASP A 21 -13.977 -5.925 -0.873 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.012 -8.382 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.447 -8.115 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.945 -8.547 0.452 1.00 0.00 H new ATOM 234 N ILE A 22 -16.504 -7.594 -2.267 1.00 0.00 N ATOM 235 CA ILE A 22 -17.954 -7.558 -2.091 1.00 0.00 C ATOM 236 C ILE A 22 -18.552 -8.956 -2.047 1.00 0.00 C ATOM 237 O ILE A 22 -18.861 -9.546 -3.083 1.00 0.00 O ATOM 238 CB ILE A 22 -18.659 -6.751 -3.205 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.754 -5.612 -3.704 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.991 -6.214 -2.695 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.480 -4.503 -4.441 1.00 0.00 C ATOM 0 H ILE A 22 -16.186 -7.334 -3.201 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.123 -7.062 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.856 -7.411 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.231 -5.181 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.995 -6.032 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.481 -5.647 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.629 -7.046 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.817 -5.565 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -17.763 -3.745 -4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.980 -4.915 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.220 -4.051 -3.781 1.00 0.00 H new ATOM 253 N GLY A 23 -18.739 -9.468 -0.837 1.00 0.00 N ATOM 254 CA GLY A 23 -19.358 -10.766 -0.671 1.00 0.00 C ATOM 255 C GLY A 23 -20.847 -10.648 -0.403 1.00 0.00 C ATOM 256 O GLY A 23 -21.469 -11.576 0.113 1.00 0.00 O ATOM 0 H GLY A 23 -18.472 -9.006 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -19.196 -11.364 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.880 -11.294 0.154 1.00 0.00 H new ATOM 260 N GLY A 24 -21.415 -9.492 -0.745 1.00 0.00 N ATOM 261 CA GLY A 24 -22.832 -9.264 -0.525 1.00 0.00 C ATOM 262 C GLY A 24 -23.177 -7.787 -0.490 1.00 0.00 C ATOM 263 O GLY A 24 -22.511 -7.004 0.188 1.00 0.00 O ATOM 0 H GLY A 24 -20.917 -8.710 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -23.403 -9.750 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -23.131 -9.727 0.415 1.00 0.00 H new ATOM 267 N VAL A 25 -24.216 -7.404 -1.224 1.00 0.00 N ATOM 268 CA VAL A 25 -24.635 -6.007 -1.285 1.00 0.00 C ATOM 269 C VAL A 25 -26.057 -5.825 -0.758 1.00 0.00 C ATOM 270 O VAL A 25 -26.798 -4.968 -1.240 1.00 0.00 O ATOM 271 CB VAL A 25 -24.557 -5.461 -2.726 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.172 -5.693 -3.309 1.00 0.00 C ATOM 273 CG2 VAL A 25 -25.624 -6.096 -3.609 1.00 0.00 C ATOM 0 H VAL A 25 -24.783 -8.040 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.948 -5.446 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.743 -4.388 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.135 -5.302 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.429 -5.182 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -22.958 -6.762 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.547 -5.694 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -25.478 -7.176 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.611 -5.873 -3.204 1.00 0.00 H new ATOM 283 N ASP A 26 -26.436 -6.630 0.228 1.00 0.00 N ATOM 284 CA ASP A 26 -27.775 -6.546 0.797 1.00 0.00 C ATOM 285 C ASP A 26 -27.760 -5.874 2.163 1.00 0.00 C ATOM 286 O ASP A 26 -26.714 -5.753 2.799 1.00 0.00 O ATOM 287 CB ASP A 26 -28.401 -7.935 0.908 1.00 0.00 C ATOM 288 CG ASP A 26 -29.891 -7.877 1.187 1.00 0.00 C ATOM 289 OD1 ASP A 26 -30.455 -8.903 1.620 1.00 0.00 O ATOM 290 OD2 ASP A 26 -30.493 -6.803 0.973 1.00 0.00 O ATOM 0 H ASP A 26 -25.840 -7.343 0.647 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.377 -5.936 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -28.229 -8.483 -0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -27.906 -8.491 1.704 1.00 0.00 H new ATOM 295 N PHE A 27 -28.933 -5.435 2.600 1.00 0.00 N ATOM 296 CA PHE A 27 -29.078 -4.773 3.890 1.00 0.00 C ATOM 297 C PHE A 27 -28.641 -5.695 5.017 1.00 0.00 C ATOM 298 O PHE A 27 -29.431 -6.485 5.536 1.00 0.00 O ATOM 299 CB PHE A 27 -30.531 -4.335 4.095 1.00 0.00 C ATOM 300 CG PHE A 27 -30.774 -3.601 5.384 1.00 0.00 C ATOM 301 CD1 PHE A 27 -29.771 -2.849 5.975 1.00 0.00 C ATOM 302 CD2 PHE A 27 -32.015 -3.657 5.998 1.00 0.00 C ATOM 303 CE1 PHE A 27 -30.001 -2.172 7.159 1.00 0.00 C ATOM 304 CE2 PHE A 27 -32.250 -2.983 7.180 1.00 0.00 C ATOM 305 CZ PHE A 27 -31.243 -2.240 7.761 1.00 0.00 C ATOM 0 H PHE A 27 -29.803 -5.526 2.076 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.438 -3.891 3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.827 -3.695 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -31.173 -5.216 4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -28.800 -2.791 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -32.808 -4.235 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -29.211 -1.591 7.612 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -33.221 -3.037 7.649 1.00 0.00 H new ATOM 0 HZ PHE A 27 -31.425 -1.712 8.685 1.00 0.00 H new ATOM 315 N GLY A 28 -27.370 -5.598 5.376 1.00 0.00 N ATOM 316 CA GLY A 28 -26.824 -6.436 6.425 1.00 0.00 C ATOM 317 C GLY A 28 -25.587 -7.199 5.980 1.00 0.00 C ATOM 318 O GLY A 28 -25.049 -8.009 6.735 1.00 0.00 O ATOM 0 H GLY A 28 -26.703 -4.950 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -26.574 -5.817 7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -27.585 -7.144 6.752 1.00 0.00 H new ATOM 322 N SER A 29 -25.136 -6.950 4.750 1.00 0.00 N ATOM 323 CA SER A 29 -23.952 -7.613 4.224 1.00 0.00 C ATOM 324 C SER A 29 -22.698 -6.843 4.614 1.00 0.00 C ATOM 325 O SER A 29 -22.743 -5.969 5.479 1.00 0.00 O ATOM 326 CB SER A 29 -24.042 -7.732 2.701 1.00 0.00 C ATOM 327 OG SER A 29 -24.160 -9.087 2.301 1.00 0.00 O ATOM 0 H SER A 29 -25.575 -6.294 4.104 1.00 0.00 H new ATOM 0 HA SER A 29 -23.897 -8.614 4.652 1.00 0.00 H new ATOM 0 HB2 SER A 29 -24.901 -7.167 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 29 -23.155 -7.291 2.246 1.00 0.00 H new ATOM 0 HG SER A 29 -24.911 -9.180 1.679 1.00 0.00 H new ATOM 333 N SER A 30 -21.581 -7.160 3.970 1.00 0.00 N ATOM 334 CA SER A 30 -20.328 -6.484 4.266 1.00 0.00 C ATOM 335 C SER A 30 -19.305 -6.691 3.159 1.00 0.00 C ATOM 336 O SER A 30 -19.260 -7.741 2.518 1.00 0.00 O ATOM 337 CB SER A 30 -19.760 -6.980 5.597 1.00 0.00 C ATOM 338 OG SER A 30 -19.572 -8.384 5.580 1.00 0.00 O ATOM 0 H SER A 30 -21.519 -7.875 3.245 1.00 0.00 H new ATOM 0 HA SER A 30 -20.538 -5.417 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.810 -6.485 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.437 -6.710 6.408 1.00 0.00 H new ATOM 0 HG SER A 30 -19.207 -8.676 6.441 1.00 0.00 H new ATOM 344 N ILE A 31 -18.481 -5.674 2.952 1.00 0.00 N ATOM 345 CA ILE A 31 -17.436 -5.711 1.936 1.00 0.00 C ATOM 346 C ILE A 31 -16.068 -5.679 2.600 1.00 0.00 C ATOM 347 O ILE A 31 -15.947 -5.268 3.751 1.00 0.00 O ATOM 348 CB ILE A 31 -17.534 -4.518 0.953 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.925 -3.884 0.975 1.00 0.00 C ATOM 350 CG2 ILE A 31 -17.200 -4.966 -0.454 1.00 0.00 C ATOM 351 CD1 ILE A 31 -19.061 -2.698 0.047 1.00 0.00 C ATOM 0 H ILE A 31 -18.516 -4.802 3.481 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.571 -6.634 1.372 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.813 -3.767 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.663 -4.637 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.156 -3.568 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.273 -4.117 -1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.185 -5.363 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.901 -5.741 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -20.073 -2.298 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.346 -1.927 0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.862 -3.013 -0.977 1.00 0.00 H new ATOM 363 N THR A 32 -15.039 -6.101 1.875 1.00 0.00 N ATOM 364 CA THR A 32 -13.686 -6.092 2.417 1.00 0.00 C ATOM 365 C THR A 32 -12.752 -5.279 1.532 1.00 0.00 C ATOM 366 O THR A 32 -12.577 -5.581 0.351 1.00 0.00 O ATOM 367 CB THR A 32 -13.158 -7.519 2.570 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.225 -8.427 2.783 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.182 -7.677 3.715 1.00 0.00 C ATOM 0 H THR A 32 -15.114 -6.450 0.920 1.00 0.00 H new ATOM 0 HA THR A 32 -13.721 -5.625 3.401 1.00 0.00 H new ATOM 0 HB THR A 32 -12.635 -7.736 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.868 -9.335 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.847 -8.713 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.323 -7.025 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.672 -7.407 4.651 1.00 0.00 H new ATOM 377 N TYR A 33 -12.157 -4.241 2.111 1.00 0.00 N ATOM 378 CA TYR A 33 -11.261 -3.369 1.373 1.00 0.00 C ATOM 379 C TYR A 33 -9.819 -3.830 1.483 1.00 0.00 C ATOM 380 O TYR A 33 -9.384 -4.314 2.527 1.00 0.00 O ATOM 381 CB TYR A 33 -11.402 -1.931 1.866 1.00 0.00 C ATOM 382 CG TYR A 33 -12.324 -1.127 0.998 1.00 0.00 C ATOM 383 CD1 TYR A 33 -11.945 0.114 0.536 1.00 0.00 C ATOM 384 CD2 TYR A 33 -13.552 -1.636 0.603 1.00 0.00 C ATOM 385 CE1 TYR A 33 -12.768 0.848 -0.291 1.00 0.00 C ATOM 386 CE2 TYR A 33 -14.395 -0.908 -0.215 1.00 0.00 C ATOM 387 CZ TYR A 33 -13.986 0.326 -0.684 1.00 0.00 C ATOM 388 OH TYR A 33 -14.834 1.081 -1.460 1.00 0.00 O ATOM 0 H TYR A 33 -12.282 -3.986 3.091 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.541 -3.413 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.778 -1.934 2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.420 -1.458 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.987 0.519 0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.854 -2.617 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.462 1.827 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.364 -1.300 -0.485 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.424 0.489 -1.972 1.00 0.00 H new ATOM 398 N SER A 34 -9.088 -3.694 0.384 1.00 0.00 N ATOM 399 CA SER A 34 -7.691 -4.117 0.346 1.00 0.00 C ATOM 400 C SER A 34 -6.912 -3.389 -0.743 1.00 0.00 C ATOM 401 O SER A 34 -7.495 -2.784 -1.643 1.00 0.00 O ATOM 402 CB SER A 34 -7.606 -5.628 0.120 1.00 0.00 C ATOM 403 OG SER A 34 -6.687 -6.228 1.016 1.00 0.00 O ATOM 0 H SER A 34 -9.435 -3.297 -0.489 1.00 0.00 H new ATOM 0 HA SER A 34 -7.243 -3.864 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.592 -6.074 0.252 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.301 -5.828 -0.907 1.00 0.00 H new ATOM 0 HG SER A 34 -6.653 -7.194 0.852 1.00 0.00 H new ATOM 409 N CYS A 35 -5.585 -3.465 -0.658 1.00 0.00 N ATOM 410 CA CYS A 35 -4.712 -2.821 -1.627 1.00 0.00 C ATOM 411 C CYS A 35 -4.399 -3.762 -2.786 1.00 0.00 C ATOM 412 O CYS A 35 -4.757 -4.939 -2.755 1.00 0.00 O ATOM 413 CB CYS A 35 -3.418 -2.381 -0.942 1.00 0.00 C ATOM 414 SG CYS A 35 -3.605 -0.939 0.153 1.00 0.00 S ATOM 0 H CYS A 35 -5.092 -3.970 0.078 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.224 -1.946 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.026 -3.216 -0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.677 -2.149 -1.706 1.00 0.00 H new ATOM 419 N ASN A 36 -3.735 -3.236 -3.811 1.00 0.00 N ATOM 420 CA ASN A 36 -3.388 -4.032 -4.983 1.00 0.00 C ATOM 421 C ASN A 36 -2.180 -4.921 -4.708 1.00 0.00 C ATOM 422 O ASN A 36 -2.324 -6.101 -4.389 1.00 0.00 O ATOM 423 CB ASN A 36 -3.100 -3.121 -6.177 1.00 0.00 C ATOM 424 CG ASN A 36 -4.315 -2.927 -7.063 1.00 0.00 C ATOM 425 OD1 ASN A 36 -5.235 -3.745 -7.061 1.00 0.00 O ATOM 426 ND2 ASN A 36 -4.324 -1.840 -7.826 1.00 0.00 N ATOM 0 H ASN A 36 -3.427 -2.264 -3.854 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.239 -4.672 -5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.758 -2.151 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.288 -3.546 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.115 -1.656 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.539 -1.189 -7.795 1.00 0.00 H new ATOM 433 N SER A 37 -0.988 -4.349 -4.847 1.00 0.00 N ATOM 434 CA SER A 37 0.245 -5.088 -4.619 1.00 0.00 C ATOM 435 C SER A 37 1.349 -4.156 -4.138 1.00 0.00 C ATOM 436 O SER A 37 1.532 -3.064 -4.676 1.00 0.00 O ATOM 437 CB SER A 37 0.684 -5.799 -5.900 1.00 0.00 C ATOM 438 OG SER A 37 0.818 -7.194 -5.690 1.00 0.00 O ATOM 0 H SER A 37 -0.852 -3.375 -5.117 1.00 0.00 H new ATOM 0 HA SER A 37 0.057 -5.834 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.045 -5.616 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.634 -5.387 -6.241 1.00 0.00 H new ATOM 0 HG SER A 37 1.098 -7.625 -6.524 1.00 0.00 H new ATOM 444 N GLY A 38 2.081 -4.593 -3.122 1.00 0.00 N ATOM 445 CA GLY A 38 3.145 -3.775 -2.576 1.00 0.00 C ATOM 446 C GLY A 38 2.617 -2.489 -1.978 1.00 0.00 C ATOM 447 O GLY A 38 3.322 -1.482 -1.926 1.00 0.00 O ATOM 0 H GLY A 38 1.957 -5.498 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.680 -4.338 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.864 -3.542 -3.362 1.00 0.00 H new ATOM 451 N TYR A 39 1.361 -2.519 -1.543 1.00 0.00 N ATOM 452 CA TYR A 39 0.726 -1.346 -0.957 1.00 0.00 C ATOM 453 C TYR A 39 0.280 -1.619 0.475 1.00 0.00 C ATOM 454 O TYR A 39 0.318 -2.758 0.941 1.00 0.00 O ATOM 455 CB TYR A 39 -0.482 -0.926 -1.798 1.00 0.00 C ATOM 456 CG TYR A 39 -0.163 0.115 -2.849 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.029 1.174 -3.085 1.00 0.00 C ATOM 458 CD2 TYR A 39 1.009 0.049 -3.592 1.00 0.00 C ATOM 459 CE1 TYR A 39 -0.741 2.134 -4.035 1.00 0.00 C ATOM 460 CE2 TYR A 39 1.304 1.005 -4.546 1.00 0.00 C ATOM 461 CZ TYR A 39 0.425 2.044 -4.765 1.00 0.00 C ATOM 462 OH TYR A 39 0.714 2.997 -5.715 1.00 0.00 O ATOM 0 H TYR A 39 0.763 -3.344 -1.586 1.00 0.00 H new ATOM 0 HA TYR A 39 1.460 -0.540 -0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.896 -1.808 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.255 -0.536 -1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.944 1.248 -2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.701 -0.762 -3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.426 2.951 -4.205 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.218 0.938 -5.117 1.00 0.00 H new ATOM 0 HH TYR A 39 1.573 2.787 -6.138 1.00 0.00 H new ATOM 472 N HIS A 40 -0.148 -0.567 1.165 1.00 0.00 N ATOM 473 CA HIS A 40 -0.637 -0.697 2.531 1.00 0.00 C ATOM 474 C HIS A 40 -1.938 0.076 2.702 1.00 0.00 C ATOM 475 O HIS A 40 -2.033 1.247 2.331 1.00 0.00 O ATOM 476 CB HIS A 40 0.412 -0.212 3.538 1.00 0.00 C ATOM 477 CG HIS A 40 0.599 1.274 3.560 1.00 0.00 C ATOM 478 ND1 HIS A 40 0.778 1.993 4.724 1.00 0.00 N ATOM 479 CD2 HIS A 40 0.651 2.175 2.553 1.00 0.00 C ATOM 480 CE1 HIS A 40 0.926 3.273 4.430 1.00 0.00 C ATOM 481 NE2 HIS A 40 0.850 3.409 3.121 1.00 0.00 N ATOM 0 H HIS A 40 -0.166 0.385 0.800 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.829 -1.752 2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.124 -0.546 4.535 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.367 -0.684 3.307 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.794 1.598 5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.554 1.963 1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.082 4.071 5.141 1.00 0.00 H new ATOM 490 N LEU A 41 -2.952 -0.603 3.221 1.00 0.00 N ATOM 491 CA LEU A 41 -4.259 0.003 3.417 1.00 0.00 C ATOM 492 C LEU A 41 -4.334 0.692 4.772 1.00 0.00 C ATOM 493 O LEU A 41 -4.064 0.079 5.805 1.00 0.00 O ATOM 494 CB LEU A 41 -5.348 -1.066 3.308 1.00 0.00 C ATOM 495 CG LEU A 41 -6.750 -0.611 3.705 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.766 -1.057 2.667 1.00 0.00 C ATOM 497 CD2 LEU A 41 -7.111 -1.154 5.077 1.00 0.00 C ATOM 0 H LEU A 41 -2.892 -1.578 3.515 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.415 0.754 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.378 -1.427 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.067 -1.912 3.935 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.764 0.478 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.760 -0.725 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.513 -0.623 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.755 -2.144 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.113 -0.822 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.083 -2.243 5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.396 -0.787 5.813 1.00 0.00 H new ATOM 509 N ILE A 42 -4.675 1.975 4.763 1.00 0.00 N ATOM 510 CA ILE A 42 -4.766 2.738 6.002 1.00 0.00 C ATOM 511 C ILE A 42 -6.211 3.036 6.353 1.00 0.00 C ATOM 512 O ILE A 42 -6.987 3.509 5.522 1.00 0.00 O ATOM 513 CB ILE A 42 -3.978 4.059 5.957 1.00 0.00 C ATOM 514 CG1 ILE A 42 -2.844 3.987 4.934 1.00 0.00 C ATOM 515 CG2 ILE A 42 -3.417 4.368 7.334 1.00 0.00 C ATOM 516 CD1 ILE A 42 -1.934 2.798 5.147 1.00 0.00 C ATOM 0 H ILE A 42 -4.891 2.506 3.919 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.317 2.108 6.770 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.658 4.856 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.269 3.938 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.255 4.903 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.860 5.304 7.298 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.235 4.460 8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.753 3.562 7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.149 2.801 4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.484 2.857 6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.513 1.878 5.066 1.00 0.00 H new ATOM 528 N GLY A 43 -6.543 2.761 7.602 1.00 0.00 N ATOM 529 CA GLY A 43 -7.900 2.938 8.089 1.00 0.00 C ATOM 530 C GLY A 43 -8.541 1.604 8.425 1.00 0.00 C ATOM 531 O GLY A 43 -7.854 0.678 8.856 1.00 0.00 O ATOM 0 H GLY A 43 -5.887 2.412 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.891 3.574 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.496 3.451 7.334 1.00 0.00 H new ATOM 535 N GLU A 44 -9.848 1.489 8.216 1.00 0.00 N ATOM 536 CA GLU A 44 -10.536 0.224 8.447 1.00 0.00 C ATOM 537 C GLU A 44 -10.182 -0.744 7.306 1.00 0.00 C ATOM 538 O GLU A 44 -9.021 -0.819 6.913 1.00 0.00 O ATOM 539 CB GLU A 44 -12.054 0.461 8.584 1.00 0.00 C ATOM 540 CG GLU A 44 -12.629 1.434 7.567 1.00 0.00 C ATOM 541 CD GLU A 44 -13.052 2.748 8.194 1.00 0.00 C ATOM 542 OE1 GLU A 44 -13.817 2.717 9.181 1.00 0.00 O ATOM 543 OE2 GLU A 44 -12.616 3.809 7.699 1.00 0.00 O ATOM 0 H GLU A 44 -10.447 2.248 7.890 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.210 -0.228 9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.569 -0.495 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.263 0.835 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.886 1.627 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.488 0.976 7.077 1.00 0.00 H new ATOM 550 N SER A 45 -11.166 -1.454 6.763 1.00 0.00 N ATOM 551 CA SER A 45 -10.945 -2.363 5.644 1.00 0.00 C ATOM 552 C SER A 45 -12.214 -3.149 5.326 1.00 0.00 C ATOM 553 O SER A 45 -12.139 -4.256 4.794 1.00 0.00 O ATOM 554 CB SER A 45 -9.803 -3.341 5.947 1.00 0.00 C ATOM 555 OG SER A 45 -8.998 -3.557 4.801 1.00 0.00 O ATOM 0 H SER A 45 -12.133 -1.416 7.084 1.00 0.00 H new ATOM 0 HA SER A 45 -10.672 -1.758 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.189 -2.948 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.215 -4.290 6.290 1.00 0.00 H new ATOM 0 HG SER A 45 -9.567 -3.814 4.045 1.00 0.00 H new ATOM 561 N LYS A 46 -13.383 -2.583 5.647 1.00 0.00 N ATOM 562 CA LYS A 46 -14.638 -3.277 5.397 1.00 0.00 C ATOM 563 C LYS A 46 -15.823 -2.314 5.372 1.00 0.00 C ATOM 564 O LYS A 46 -15.963 -1.469 6.252 1.00 0.00 O ATOM 565 CB LYS A 46 -14.867 -4.336 6.477 1.00 0.00 C ATOM 566 CG LYS A 46 -14.484 -5.745 6.054 1.00 0.00 C ATOM 567 CD LYS A 46 -14.022 -6.579 7.238 1.00 0.00 C ATOM 568 CE LYS A 46 -14.706 -7.937 7.261 1.00 0.00 C ATOM 569 NZ LYS A 46 -13.872 -8.971 7.935 1.00 0.00 N ATOM 0 H LYS A 46 -13.480 -1.661 6.073 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.566 -3.749 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.294 -4.066 7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.919 -4.327 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.338 -6.228 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.690 -5.699 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.942 -6.715 7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.235 -6.047 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.663 -7.852 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.919 -8.253 6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.375 -9.881 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.968 -9.071 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.689 -8.683 8.918 1.00 0.00 H new ATOM 583 N SER A 47 -16.692 -2.473 4.375 1.00 0.00 N ATOM 584 CA SER A 47 -17.898 -1.656 4.261 1.00 0.00 C ATOM 585 C SER A 47 -19.121 -2.489 4.602 1.00 0.00 C ATOM 586 O SER A 47 -19.156 -3.683 4.315 1.00 0.00 O ATOM 587 CB SER A 47 -18.031 -1.084 2.849 1.00 0.00 C ATOM 588 OG SER A 47 -19.140 -0.208 2.750 1.00 0.00 O ATOM 0 H SER A 47 -16.582 -3.163 3.632 1.00 0.00 H new ATOM 0 HA SER A 47 -17.822 -0.826 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.119 -0.550 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.144 -1.899 2.134 1.00 0.00 H new ATOM 0 HG SER A 47 -19.001 0.564 3.338 1.00 0.00 H new ATOM 594 N TYR A 48 -20.114 -1.883 5.241 1.00 0.00 N ATOM 595 CA TYR A 48 -21.309 -2.652 5.611 1.00 0.00 C ATOM 596 C TYR A 48 -22.592 -2.009 5.109 1.00 0.00 C ATOM 597 O TYR A 48 -22.929 -0.884 5.475 1.00 0.00 O ATOM 598 CB TYR A 48 -21.387 -2.881 7.124 1.00 0.00 C ATOM 599 CG TYR A 48 -20.037 -3.044 7.775 1.00 0.00 C ATOM 600 CD1 TYR A 48 -19.581 -2.138 8.722 1.00 0.00 C ATOM 601 CD2 TYR A 48 -19.219 -4.110 7.437 1.00 0.00 C ATOM 602 CE1 TYR A 48 -18.344 -2.291 9.315 1.00 0.00 C ATOM 603 CE2 TYR A 48 -17.980 -4.272 8.024 1.00 0.00 C ATOM 604 CZ TYR A 48 -17.546 -3.359 8.962 1.00 0.00 C ATOM 605 OH TYR A 48 -16.312 -3.516 9.551 1.00 0.00 O ATOM 0 H TYR A 48 -20.125 -0.899 5.509 1.00 0.00 H new ATOM 0 HA TYR A 48 -21.211 -3.620 5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -21.905 -2.040 7.585 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -21.986 -3.771 7.319 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -20.204 -1.300 8.999 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.556 -4.826 6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -18.003 -1.578 10.051 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.354 -5.109 7.750 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.878 -4.318 9.192 1.00 0.00 H new ATOM 615 N CYS A 49 -23.316 -2.759 4.288 1.00 0.00 N ATOM 616 CA CYS A 49 -24.584 -2.297 3.742 1.00 0.00 C ATOM 617 C CYS A 49 -25.601 -2.093 4.854 1.00 0.00 C ATOM 618 O CYS A 49 -26.223 -3.045 5.323 1.00 0.00 O ATOM 619 CB CYS A 49 -25.127 -3.305 2.730 1.00 0.00 C ATOM 620 SG CYS A 49 -26.804 -2.926 2.128 1.00 0.00 S ATOM 0 H CYS A 49 -23.044 -3.694 3.985 1.00 0.00 H new ATOM 0 HA CYS A 49 -24.411 -1.345 3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -24.448 -3.350 1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -25.132 -4.295 3.186 1.00 0.00 H new ATOM 625 N GLU A 50 -25.767 -0.848 5.270 1.00 0.00 N ATOM 626 CA GLU A 50 -26.717 -0.527 6.325 1.00 0.00 C ATOM 627 C GLU A 50 -27.718 0.522 5.861 1.00 0.00 C ATOM 628 O GLU A 50 -27.744 0.897 4.688 1.00 0.00 O ATOM 629 CB GLU A 50 -25.987 -0.042 7.577 1.00 0.00 C ATOM 630 CG GLU A 50 -26.179 -0.954 8.777 1.00 0.00 C ATOM 631 CD GLU A 50 -24.979 -0.965 9.704 1.00 0.00 C ATOM 632 OE1 GLU A 50 -24.749 -1.999 10.364 1.00 0.00 O ATOM 633 OE2 GLU A 50 -24.271 0.062 9.771 1.00 0.00 O ATOM 0 H GLU A 50 -25.260 -0.046 4.896 1.00 0.00 H new ATOM 0 HA GLU A 50 -27.265 -1.437 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.922 0.041 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -26.339 0.958 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -27.060 -0.634 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -26.373 -1.969 8.429 1.00 0.00 H new ATOM 640 N LEU A 51 -28.549 0.982 6.787 1.00 0.00 N ATOM 641 CA LEU A 51 -29.566 1.978 6.476 1.00 0.00 C ATOM 642 C LEU A 51 -29.120 3.369 6.911 1.00 0.00 C ATOM 643 O LEU A 51 -28.345 3.517 7.856 1.00 0.00 O ATOM 644 CB LEU A 51 -30.884 1.613 7.157 1.00 0.00 C ATOM 645 CG LEU A 51 -30.889 1.791 8.673 1.00 0.00 C ATOM 646 CD1 LEU A 51 -30.600 0.470 9.367 1.00 0.00 C ATOM 647 CD2 LEU A 51 -32.219 2.364 9.140 1.00 0.00 C ATOM 0 H LEU A 51 -28.539 0.681 7.761 1.00 0.00 H new ATOM 0 HA LEU A 51 -29.712 1.989 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -31.679 2.224 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -31.121 0.575 6.926 1.00 0.00 H new ATOM 0 HG LEU A 51 -30.101 2.496 8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -30.608 0.617 10.447 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -31.363 -0.259 9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -29.621 0.103 9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -32.203 2.484 10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -32.382 3.334 8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -33.025 1.685 8.862 1.00 0.00 H new ATOM 659 N GLY A 52 -29.615 4.386 6.216 1.00 0.00 N ATOM 660 CA GLY A 52 -29.256 5.752 6.545 1.00 0.00 C ATOM 661 C GLY A 52 -29.977 6.260 7.777 1.00 0.00 C ATOM 662 O GLY A 52 -29.925 5.638 8.837 1.00 0.00 O ATOM 0 H GLY A 52 -30.259 4.289 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -28.180 5.813 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -29.488 6.399 5.699 1.00 0.00 H new ATOM 666 N SER A 53 -30.655 7.394 7.634 1.00 0.00 N ATOM 667 CA SER A 53 -31.389 7.991 8.743 1.00 0.00 C ATOM 668 C SER A 53 -32.892 7.904 8.509 1.00 0.00 C ATOM 669 O SER A 53 -33.672 7.784 9.453 1.00 0.00 O ATOM 670 CB SER A 53 -30.978 9.453 8.916 1.00 0.00 C ATOM 671 OG SER A 53 -29.909 9.578 9.837 1.00 0.00 O ATOM 0 H SER A 53 -30.711 7.918 6.761 1.00 0.00 H new ATOM 0 HA SER A 53 -31.147 7.437 9.650 1.00 0.00 H new ATOM 0 HB2 SER A 53 -30.682 9.867 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 53 -31.831 10.035 9.264 1.00 0.00 H new ATOM 0 HG SER A 53 -29.664 10.523 9.928 1.00 0.00 H new ATOM 677 N THR A 54 -33.290 7.973 7.244 1.00 0.00 N ATOM 678 CA THR A 54 -34.699 7.903 6.883 1.00 0.00 C ATOM 679 C THR A 54 -35.069 6.498 6.422 1.00 0.00 C ATOM 680 O THR A 54 -35.969 6.319 5.602 1.00 0.00 O ATOM 681 CB THR A 54 -35.013 8.916 5.781 1.00 0.00 C ATOM 682 OG1 THR A 54 -34.261 8.634 4.614 1.00 0.00 O ATOM 683 CG2 THR A 54 -34.722 10.345 6.182 1.00 0.00 C ATOM 0 H THR A 54 -32.656 8.077 6.452 1.00 0.00 H new ATOM 0 HA THR A 54 -35.291 8.144 7.766 1.00 0.00 H new ATOM 0 HB THR A 54 -36.083 8.820 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 54 -34.476 9.291 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 54 -34.967 11.012 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 54 -35.324 10.609 7.051 1.00 0.00 H new ATOM 0 HG23 THR A 54 -33.665 10.446 6.429 1.00 0.00 H new ATOM 691 N GLY A 55 -34.367 5.505 6.958 1.00 0.00 N ATOM 692 CA GLY A 55 -34.631 4.127 6.586 1.00 0.00 C ATOM 693 C GLY A 55 -34.163 3.811 5.180 1.00 0.00 C ATOM 694 O GLY A 55 -34.647 2.868 4.554 1.00 0.00 O ATOM 0 H GLY A 55 -33.621 5.629 7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -34.133 3.461 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -35.700 3.931 6.663 1.00 0.00 H new ATOM 698 N SER A 56 -33.219 4.604 4.683 1.00 0.00 N ATOM 699 CA SER A 56 -32.685 4.411 3.340 1.00 0.00 C ATOM 700 C SER A 56 -31.640 3.301 3.322 1.00 0.00 C ATOM 701 O SER A 56 -31.577 2.477 4.234 1.00 0.00 O ATOM 702 CB SER A 56 -32.068 5.715 2.828 1.00 0.00 C ATOM 703 OG SER A 56 -31.704 5.607 1.463 1.00 0.00 O ATOM 0 H SER A 56 -32.808 5.387 5.191 1.00 0.00 H new ATOM 0 HA SER A 56 -33.507 4.120 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 56 -32.779 6.531 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 56 -31.189 5.963 3.423 1.00 0.00 H new ATOM 0 HG SER A 56 -31.314 6.454 1.160 1.00 0.00 H new ATOM 709 N MET A 57 -30.824 3.285 2.273 1.00 0.00 N ATOM 710 CA MET A 57 -29.774 2.287 2.134 1.00 0.00 C ATOM 711 C MET A 57 -28.421 2.961 1.949 1.00 0.00 C ATOM 712 O MET A 57 -28.240 3.776 1.045 1.00 0.00 O ATOM 713 CB MET A 57 -30.064 1.363 0.948 1.00 0.00 C ATOM 714 CG MET A 57 -31.518 0.932 0.847 1.00 0.00 C ATOM 715 SD MET A 57 -31.830 -0.648 1.656 1.00 0.00 S ATOM 716 CE MET A 57 -33.531 -0.434 2.171 1.00 0.00 C ATOM 0 H MET A 57 -30.872 3.955 1.505 1.00 0.00 H new ATOM 0 HA MET A 57 -29.748 1.689 3.045 1.00 0.00 H new ATOM 0 HB2 MET A 57 -29.780 1.871 0.026 1.00 0.00 H new ATOM 0 HB3 MET A 57 -29.436 0.475 1.029 1.00 0.00 H new ATOM 0 HG2 MET A 57 -32.152 1.697 1.295 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.800 0.860 -0.204 1.00 0.00 H new ATOM 0 HE1 MET A 57 -33.870 -1.331 2.688 1.00 0.00 H new ATOM 0 HE2 MET A 57 -33.603 0.421 2.843 1.00 0.00 H new ATOM 0 HE3 MET A 57 -34.157 -0.261 1.296 1.00 0.00 H new ATOM 726 N VAL A 58 -27.481 2.629 2.822 1.00 0.00 N ATOM 727 CA VAL A 58 -26.150 3.214 2.770 1.00 0.00 C ATOM 728 C VAL A 58 -25.081 2.154 2.993 1.00 0.00 C ATOM 729 O VAL A 58 -25.391 0.981 3.204 1.00 0.00 O ATOM 730 CB VAL A 58 -25.989 4.315 3.830 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.636 5.609 3.363 1.00 0.00 C ATOM 732 CG2 VAL A 58 -26.585 3.855 5.148 1.00 0.00 C ATOM 0 H VAL A 58 -27.616 1.956 3.576 1.00 0.00 H new ATOM 0 HA VAL A 58 -26.027 3.649 1.778 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.927 4.509 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.511 6.375 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -26.163 5.939 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.699 5.442 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -26.467 4.641 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -27.645 3.639 5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -26.072 2.954 5.485 1.00 0.00 H new ATOM 742 N TRP A 59 -23.823 2.574 2.965 1.00 0.00 N ATOM 743 CA TRP A 59 -22.713 1.656 3.166 1.00 0.00 C ATOM 744 C TRP A 59 -21.810 2.120 4.303 1.00 0.00 C ATOM 745 O TRP A 59 -21.354 3.263 4.322 1.00 0.00 O ATOM 746 CB TRP A 59 -21.901 1.520 1.876 1.00 0.00 C ATOM 747 CG TRP A 59 -22.495 0.546 0.905 1.00 0.00 C ATOM 748 CD1 TRP A 59 -23.312 0.833 -0.153 1.00 0.00 C ATOM 749 CD2 TRP A 59 -22.328 -0.875 0.911 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.658 -0.324 -0.810 1.00 0.00 N ATOM 751 CE2 TRP A 59 -23.068 -1.387 -0.174 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.622 -1.765 1.727 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -23.119 -2.749 -0.460 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.682 -3.115 1.443 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.418 -3.594 0.358 1.00 0.00 C ATOM 0 H TRP A 59 -23.547 3.543 2.805 1.00 0.00 H new ATOM 0 HA TRP A 59 -23.126 0.684 3.436 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.823 2.497 1.399 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.888 1.204 2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.638 1.824 -0.432 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -24.255 -0.383 -1.635 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -21.041 -1.403 2.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.690 -3.125 -1.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.150 -3.813 2.072 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.435 -4.655 0.159 1.00 0.00 H new ATOM 766 N ASN A 60 -21.564 1.225 5.254 1.00 0.00 N ATOM 767 CA ASN A 60 -20.667 1.510 6.363 1.00 0.00 C ATOM 768 C ASN A 60 -19.255 1.587 5.824 1.00 0.00 C ATOM 769 O ASN A 60 -19.059 1.265 4.656 1.00 0.00 O ATOM 770 CB ASN A 60 -20.785 0.423 7.421 1.00 0.00 C ATOM 771 CG ASN A 60 -21.561 0.864 8.633 1.00 0.00 C ATOM 772 OD1 ASN A 60 -21.273 0.446 9.754 1.00 0.00 O ATOM 773 ND2 ASN A 60 -22.539 1.720 8.426 1.00 0.00 N ATOM 0 H ASN A 60 -21.977 0.292 5.277 1.00 0.00 H new ATOM 0 HA ASN A 60 -20.931 2.459 6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.269 -0.450 6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.786 0.113 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.092 2.063 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.744 2.041 7.480 1.00 0.00 H new ATOM 780 N PRO A 61 -18.272 2.067 6.636 1.00 0.00 N ATOM 781 CA PRO A 61 -16.867 2.222 6.262 1.00 0.00 C ATOM 782 C PRO A 61 -16.535 1.679 4.875 1.00 0.00 C ATOM 783 O PRO A 61 -16.206 0.509 4.689 1.00 0.00 O ATOM 784 CB PRO A 61 -16.213 1.482 7.414 1.00 0.00 C ATOM 785 CG PRO A 61 -17.057 1.887 8.603 1.00 0.00 C ATOM 786 CD PRO A 61 -18.395 2.379 8.057 1.00 0.00 C ATOM 0 HA PRO A 61 -16.528 3.252 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -16.225 0.403 7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.171 1.774 7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.203 1.043 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.563 2.671 9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -19.238 1.864 8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.540 3.445 8.230 1.00 0.00 H new ATOM 794 N GLU A 62 -16.768 2.555 3.904 1.00 0.00 N ATOM 795 CA GLU A 62 -16.638 2.257 2.489 1.00 0.00 C ATOM 796 C GLU A 62 -15.207 2.050 2.097 1.00 0.00 C ATOM 797 O GLU A 62 -14.872 1.016 1.561 1.00 0.00 O ATOM 798 CB GLU A 62 -17.227 3.396 1.665 1.00 0.00 C ATOM 799 CG GLU A 62 -18.659 3.736 2.036 1.00 0.00 C ATOM 800 CD GLU A 62 -19.419 4.390 0.899 1.00 0.00 C ATOM 801 OE1 GLU A 62 -19.407 5.636 0.817 1.00 0.00 O ATOM 802 OE2 GLU A 62 -20.027 3.657 0.091 1.00 0.00 O ATOM 0 H GLU A 62 -17.060 3.515 4.087 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.182 1.333 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.607 4.284 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.188 3.128 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.177 2.826 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.658 4.403 2.898 1.00 0.00 H new ATOM 809 N ALA A 63 -14.368 3.016 2.432 1.00 0.00 N ATOM 810 CA ALA A 63 -12.963 2.960 2.129 1.00 0.00 C ATOM 811 C ALA A 63 -12.370 1.835 2.900 1.00 0.00 C ATOM 812 O ALA A 63 -12.998 0.773 2.903 1.00 0.00 O ATOM 813 CB ALA A 63 -12.354 4.315 2.375 1.00 0.00 C ATOM 0 H ALA A 63 -14.652 3.863 2.925 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.759 2.746 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.288 4.282 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.838 5.053 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.494 4.592 3.420 1.00 0.00 H new ATOM 819 N PRO A 64 -11.119 1.828 3.355 1.00 0.00 N ATOM 820 CA PRO A 64 -10.149 2.938 3.525 1.00 0.00 C ATOM 821 C PRO A 64 -9.330 3.274 2.284 1.00 0.00 C ATOM 822 O PRO A 64 -9.741 3.010 1.155 1.00 0.00 O ATOM 823 CB PRO A 64 -9.203 2.411 4.608 1.00 0.00 C ATOM 824 CG PRO A 64 -9.763 1.112 5.046 1.00 0.00 C ATOM 825 CD PRO A 64 -10.660 0.643 3.964 1.00 0.00 C ATOM 0 HA PRO A 64 -10.680 3.861 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.193 2.288 4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.139 3.109 5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.967 0.390 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.312 1.224 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.129 0.010 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.487 0.053 4.360 1.00 0.00 H new ATOM 833 N ILE A 65 -8.175 3.902 2.521 1.00 0.00 N ATOM 834 CA ILE A 65 -7.285 4.332 1.449 1.00 0.00 C ATOM 835 C ILE A 65 -6.193 3.296 1.196 1.00 0.00 C ATOM 836 O ILE A 65 -6.078 2.312 1.927 1.00 0.00 O ATOM 837 CB ILE A 65 -6.617 5.688 1.774 1.00 0.00 C ATOM 838 CG1 ILE A 65 -7.499 6.536 2.697 1.00 0.00 C ATOM 839 CG2 ILE A 65 -6.318 6.446 0.495 1.00 0.00 C ATOM 840 CD1 ILE A 65 -8.941 6.617 2.248 1.00 0.00 C ATOM 0 H ILE A 65 -7.836 4.124 3.457 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.900 4.443 0.556 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.681 5.485 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.463 6.120 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.088 7.544 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.848 7.399 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.644 5.857 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.247 6.627 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.506 7.233 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.988 7.062 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -9.370 5.615 2.218 1.00 0.00 H new ATOM 852 N CYS A 66 -5.382 3.535 0.168 1.00 0.00 N ATOM 853 CA CYS A 66 -4.303 2.620 -0.179 1.00 0.00 C ATOM 854 C CYS A 66 -3.111 3.370 -0.763 1.00 0.00 C ATOM 855 O CYS A 66 -3.271 4.249 -1.610 1.00 0.00 O ATOM 856 CB CYS A 66 -4.804 1.578 -1.178 1.00 0.00 C ATOM 857 SG CYS A 66 -5.457 0.068 -0.396 1.00 0.00 S ATOM 0 H CYS A 66 -5.453 4.353 -0.437 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.976 2.120 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.585 2.024 -1.794 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.987 1.306 -1.846 1.00 0.00 H new ATOM 862 N GLU A 67 -1.916 3.014 -0.304 1.00 0.00 N ATOM 863 CA GLU A 67 -0.693 3.649 -0.779 1.00 0.00 C ATOM 864 C GLU A 67 0.421 2.621 -0.943 1.00 0.00 C ATOM 865 O GLU A 67 0.260 1.455 -0.584 1.00 0.00 O ATOM 866 CB GLU A 67 -0.254 4.746 0.193 1.00 0.00 C ATOM 867 CG GLU A 67 -0.006 6.089 -0.476 1.00 0.00 C ATOM 868 CD GLU A 67 0.224 7.206 0.524 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.645 7.408 1.399 1.00 0.00 O ATOM 870 OE2 GLU A 67 1.272 7.879 0.432 1.00 0.00 O ATOM 0 H GLU A 67 -1.769 2.288 0.397 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.896 4.097 -1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.019 4.867 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.657 4.428 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.861 6.009 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.860 6.340 -1.105 1.00 0.00 H new ATOM 877 N SER A 68 1.550 3.059 -1.487 1.00 0.00 N ATOM 878 CA SER A 68 2.688 2.174 -1.704 1.00 0.00 C ATOM 879 C SER A 68 3.604 2.143 -0.485 1.00 0.00 C ATOM 880 O SER A 68 4.175 3.162 -0.095 1.00 0.00 O ATOM 881 CB SER A 68 3.474 2.616 -2.939 1.00 0.00 C ATOM 882 OG SER A 68 4.273 3.752 -2.657 1.00 0.00 O ATOM 0 H SER A 68 1.702 4.022 -1.786 1.00 0.00 H new ATOM 0 HA SER A 68 2.304 1.167 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.108 1.798 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.783 2.846 -3.750 1.00 0.00 H new ATOM 0 HG SER A 68 4.216 3.963 -1.702 1.00 0.00 H new ATOM 888 N VAL A 69 3.752 0.956 0.099 1.00 0.00 N ATOM 889 CA VAL A 69 4.602 0.762 1.276 1.00 0.00 C ATOM 890 C VAL A 69 5.903 1.553 1.170 1.00 0.00 C ATOM 891 O VAL A 69 6.857 1.117 0.526 1.00 0.00 O ATOM 892 CB VAL A 69 4.947 -0.728 1.500 1.00 0.00 C ATOM 893 CG1 VAL A 69 4.948 -1.498 0.187 1.00 0.00 C ATOM 894 CG2 VAL A 69 3.980 -1.357 2.487 1.00 0.00 C ATOM 0 H VAL A 69 3.291 0.106 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 69 4.024 1.127 2.125 1.00 0.00 H new ATOM 0 HB VAL A 69 5.952 -0.779 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.194 -2.543 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.961 -1.436 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.689 -1.068 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.239 -2.406 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.041 -0.833 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.964 -1.284 2.098 1.00 0.00 H new ATOM 904 N LYS A 70 5.934 2.711 1.817 1.00 0.00 N ATOM 905 CA LYS A 70 7.111 3.570 1.788 1.00 0.00 C ATOM 906 C LYS A 70 8.283 2.933 2.528 1.00 0.00 C ATOM 907 O LYS A 70 8.121 2.386 3.619 1.00 0.00 O ATOM 908 CB LYS A 70 6.794 4.932 2.406 1.00 0.00 C ATOM 909 CG LYS A 70 6.395 5.985 1.388 1.00 0.00 C ATOM 910 CD LYS A 70 7.449 7.074 1.275 1.00 0.00 C ATOM 911 CE LYS A 70 7.023 8.160 0.304 1.00 0.00 C ATOM 912 NZ LYS A 70 6.343 9.289 0.996 1.00 0.00 N ATOM 0 H LYS A 70 5.158 3.077 2.368 1.00 0.00 H new ATOM 0 HA LYS A 70 7.394 3.703 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.987 4.814 3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.667 5.283 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.249 5.516 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.441 6.428 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.628 7.512 2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.391 6.637 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.898 8.534 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.353 7.736 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.068 10.009 0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.494 8.937 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.991 9.711 1.691 1.00 0.00 H new ATOM 926 N CYS A 71 9.467 3.031 1.934 1.00 0.00 N ATOM 927 CA CYS A 71 10.680 2.491 2.539 1.00 0.00 C ATOM 928 C CYS A 71 11.663 3.614 2.833 1.00 0.00 C ATOM 929 O CYS A 71 12.029 4.382 1.943 1.00 0.00 O ATOM 930 CB CYS A 71 11.350 1.444 1.633 1.00 0.00 C ATOM 931 SG CYS A 71 10.333 0.844 0.238 1.00 0.00 S ATOM 0 H CYS A 71 9.613 3.481 1.030 1.00 0.00 H new ATOM 0 HA CYS A 71 10.393 2.000 3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.269 1.871 1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.636 0.589 2.245 1.00 0.00 H new ATOM 936 N GLN A 72 12.086 3.704 4.085 1.00 0.00 N ATOM 937 CA GLN A 72 13.027 4.733 4.495 1.00 0.00 C ATOM 938 C GLN A 72 14.398 4.469 3.886 1.00 0.00 C ATOM 939 O GLN A 72 14.506 3.805 2.855 1.00 0.00 O ATOM 940 CB GLN A 72 13.110 4.787 6.022 1.00 0.00 C ATOM 941 CG GLN A 72 13.829 3.603 6.645 1.00 0.00 C ATOM 942 CD GLN A 72 12.893 2.453 6.959 1.00 0.00 C ATOM 943 OE1 GLN A 72 12.028 2.561 7.829 1.00 0.00 O ATOM 944 NE2 GLN A 72 13.060 1.344 6.249 1.00 0.00 N ATOM 0 H GLN A 72 11.792 3.077 4.834 1.00 0.00 H new ATOM 0 HA GLN A 72 12.676 5.700 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.621 5.704 6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.100 4.840 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.608 3.257 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.324 3.924 7.561 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.790 1.299 5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.459 0.537 6.415 1.00 0.00 H new ATOM 953 N SER A 73 15.443 4.993 4.513 1.00 0.00 N ATOM 954 CA SER A 73 16.791 4.799 4.016 1.00 0.00 C ATOM 955 C SER A 73 17.081 3.313 3.820 1.00 0.00 C ATOM 956 O SER A 73 16.586 2.473 4.573 1.00 0.00 O ATOM 957 CB SER A 73 17.795 5.406 4.990 1.00 0.00 C ATOM 958 OG SER A 73 18.971 5.820 4.320 1.00 0.00 O ATOM 0 H SER A 73 15.380 5.553 5.363 1.00 0.00 H new ATOM 0 HA SER A 73 16.883 5.298 3.051 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.343 6.258 5.498 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.049 4.675 5.758 1.00 0.00 H new ATOM 0 HG SER A 73 19.626 5.091 4.328 1.00 0.00 H new ATOM 964 N PRO A 74 17.876 2.962 2.798 1.00 0.00 N ATOM 965 CA PRO A 74 18.220 1.566 2.510 1.00 0.00 C ATOM 966 C PRO A 74 19.055 0.940 3.625 1.00 0.00 C ATOM 967 O PRO A 74 19.655 1.649 4.434 1.00 0.00 O ATOM 968 CB PRO A 74 19.030 1.642 1.208 1.00 0.00 C ATOM 969 CG PRO A 74 18.775 3.007 0.663 1.00 0.00 C ATOM 970 CD PRO A 74 18.509 3.886 1.849 1.00 0.00 C ATOM 0 HA PRO A 74 17.332 0.940 2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.092 1.486 1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 74 18.715 0.872 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.634 3.367 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 74 17.923 3.002 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.428 4.313 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.854 4.720 1.597 1.00 0.00 H new ATOM 978 N PRO A 75 19.099 -0.401 3.688 1.00 0.00 N ATOM 979 CA PRO A 75 19.854 -1.121 4.711 1.00 0.00 C ATOM 980 C PRO A 75 21.206 -0.487 5.005 1.00 0.00 C ATOM 981 O PRO A 75 21.768 0.224 4.172 1.00 0.00 O ATOM 982 CB PRO A 75 20.038 -2.500 4.089 1.00 0.00 C ATOM 983 CG PRO A 75 18.824 -2.695 3.247 1.00 0.00 C ATOM 984 CD PRO A 75 18.409 -1.325 2.767 1.00 0.00 C ATOM 0 HA PRO A 75 19.338 -1.126 5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 75 20.948 -2.547 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 75 20.119 -3.273 4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.038 -3.353 2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.025 -3.163 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.709 -1.156 1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.327 -1.198 2.810 1.00 0.00 H new ATOM 992 N SER A 76 21.722 -0.760 6.197 1.00 0.00 N ATOM 993 CA SER A 76 23.015 -0.238 6.610 1.00 0.00 C ATOM 994 C SER A 76 24.061 -1.345 6.615 1.00 0.00 C ATOM 995 O SER A 76 24.240 -2.040 7.615 1.00 0.00 O ATOM 996 CB SER A 76 22.914 0.390 8.001 1.00 0.00 C ATOM 997 OG SER A 76 21.604 0.869 8.251 1.00 0.00 O ATOM 0 H SER A 76 21.261 -1.343 6.896 1.00 0.00 H new ATOM 0 HA SER A 76 23.319 0.528 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.185 -0.347 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.627 1.210 8.086 1.00 0.00 H new ATOM 0 HG SER A 76 21.566 1.264 9.147 1.00 0.00 H new ATOM 1003 N ILE A 77 24.753 -1.500 5.493 1.00 0.00 N ATOM 1004 CA ILE A 77 25.772 -2.534 5.365 1.00 0.00 C ATOM 1005 C ILE A 77 26.978 -2.226 6.243 1.00 0.00 C ATOM 1006 O ILE A 77 27.042 -1.177 6.883 1.00 0.00 O ATOM 1007 CB ILE A 77 26.242 -2.686 3.905 1.00 0.00 C ATOM 1008 CG1 ILE A 77 26.921 -1.401 3.423 1.00 0.00 C ATOM 1009 CG2 ILE A 77 25.071 -3.042 3.004 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.855 -1.614 2.252 1.00 0.00 C ATOM 0 H ILE A 77 24.628 -0.924 4.660 1.00 0.00 H new ATOM 0 HA ILE A 77 25.315 -3.469 5.690 1.00 0.00 H new ATOM 0 HB ILE A 77 26.970 -3.496 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 77 26.155 -0.679 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.481 -0.964 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 77 25.421 -3.146 1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.631 -3.983 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.320 -2.253 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.300 -0.662 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.643 -2.311 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.296 -2.022 1.410 1.00 0.00 H new ATOM 1022 N SER A 78 27.934 -3.148 6.268 1.00 0.00 N ATOM 1023 CA SER A 78 29.138 -2.974 7.068 1.00 0.00 C ATOM 1024 C SER A 78 30.263 -2.376 6.234 1.00 0.00 C ATOM 1025 O SER A 78 30.433 -2.717 5.064 1.00 0.00 O ATOM 1026 CB SER A 78 29.583 -4.313 7.658 1.00 0.00 C ATOM 1027 OG SER A 78 28.510 -4.961 8.319 1.00 0.00 O ATOM 0 H SER A 78 27.898 -4.022 5.744 1.00 0.00 H new ATOM 0 HA SER A 78 28.906 -2.286 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.966 -4.954 6.864 1.00 0.00 H new ATOM 0 HB3 SER A 78 30.402 -4.151 8.359 1.00 0.00 H new ATOM 0 HG SER A 78 28.820 -5.815 8.686 1.00 0.00 H new ATOM 1033 N ASN A 79 31.024 -1.477 6.844 1.00 0.00 N ATOM 1034 CA ASN A 79 32.135 -0.831 6.163 1.00 0.00 C ATOM 1035 C ASN A 79 31.662 -0.116 4.905 1.00 0.00 C ATOM 1036 O ASN A 79 32.410 0.021 3.938 1.00 0.00 O ATOM 1037 CB ASN A 79 33.202 -1.863 5.799 1.00 0.00 C ATOM 1038 CG ASN A 79 33.402 -2.900 6.885 1.00 0.00 C ATOM 1039 OD1 ASN A 79 33.831 -2.581 7.994 1.00 0.00 O ATOM 1040 ND2 ASN A 79 33.094 -4.150 6.569 1.00 0.00 N ATOM 0 H ASN A 79 30.891 -1.179 7.810 1.00 0.00 H new ATOM 0 HA ASN A 79 32.563 -0.092 6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 79 32.919 -2.362 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 79 34.147 -1.353 5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 79 33.210 -4.893 7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 79 32.741 -4.368 5.637 1.00 0.00 H new ATOM 1047 N GLY A 80 30.414 0.336 4.923 1.00 0.00 N ATOM 1048 CA GLY A 80 29.868 1.029 3.772 1.00 0.00 C ATOM 1049 C GLY A 80 28.610 1.807 4.096 1.00 0.00 C ATOM 1050 O GLY A 80 28.270 1.998 5.264 1.00 0.00 O ATOM 0 H GLY A 80 29.773 0.236 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.619 1.712 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.649 0.304 2.988 1.00 0.00 H new ATOM 1054 N ARG A 81 27.921 2.260 3.055 1.00 0.00 N ATOM 1055 CA ARG A 81 26.697 3.031 3.222 1.00 0.00 C ATOM 1056 C ARG A 81 25.891 3.056 1.932 1.00 0.00 C ATOM 1057 O ARG A 81 26.262 2.428 0.940 1.00 0.00 O ATOM 1058 CB ARG A 81 27.022 4.463 3.647 1.00 0.00 C ATOM 1059 CG ARG A 81 28.238 5.044 2.947 1.00 0.00 C ATOM 1060 CD ARG A 81 28.839 6.190 3.740 1.00 0.00 C ATOM 1061 NE ARG A 81 29.658 7.061 2.904 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.155 7.963 2.067 1.00 0.00 C ATOM 1063 NH1 ARG A 81 27.842 8.113 1.962 1.00 0.00 N ATOM 1064 NH2 ARG A 81 29.965 8.716 1.336 1.00 0.00 N ATOM 0 H ARG A 81 28.191 2.105 2.084 1.00 0.00 H new ATOM 0 HA ARG A 81 26.103 2.550 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.159 5.098 3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 81 27.188 4.485 4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 81 28.987 4.264 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 81 27.955 5.395 1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.040 6.773 4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 81 29.447 5.790 4.552 1.00 0.00 H new ATOM 0 HE ARG A 81 30.672 6.973 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 81 27.216 7.536 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 81 27.458 8.806 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 81 30.976 8.604 1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 81 29.578 9.408 0.694 1.00 0.00 H new ATOM 1078 N HIS A 82 24.798 3.802 1.950 1.00 0.00 N ATOM 1079 CA HIS A 82 23.941 3.931 0.779 1.00 0.00 C ATOM 1080 C HIS A 82 24.022 5.342 0.207 1.00 0.00 C ATOM 1081 O HIS A 82 24.626 6.230 0.808 1.00 0.00 O ATOM 1082 CB HIS A 82 22.495 3.600 1.147 1.00 0.00 C ATOM 1083 CG HIS A 82 22.044 4.249 2.416 1.00 0.00 C ATOM 1084 ND1 HIS A 82 22.025 5.617 2.597 1.00 0.00 N ATOM 1085 CD2 HIS A 82 21.605 3.712 3.580 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.591 5.892 3.813 1.00 0.00 C ATOM 1087 NE2 HIS A 82 21.327 4.755 4.428 1.00 0.00 N ATOM 0 H HIS A 82 24.482 4.329 2.764 1.00 0.00 H new ATOM 0 HA HIS A 82 24.286 3.228 0.021 1.00 0.00 H new ATOM 0 HB2 HIS A 82 21.840 3.913 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.390 2.519 1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.495 2.660 3.799 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.472 6.880 4.233 1.00 0.00 H new ATOM 0 HE2 HIS A 82 20.973 4.665 5.380 1.00 0.00 H new ATOM 1096 N ASN A 83 23.413 5.544 -0.956 1.00 0.00 N ATOM 1097 CA ASN A 83 23.412 6.854 -1.594 1.00 0.00 C ATOM 1098 C ASN A 83 22.123 7.603 -1.274 1.00 0.00 C ATOM 1099 O ASN A 83 22.068 8.384 -0.323 1.00 0.00 O ATOM 1100 CB ASN A 83 23.583 6.711 -3.108 1.00 0.00 C ATOM 1101 CG ASN A 83 25.036 6.549 -3.511 1.00 0.00 C ATOM 1102 OD1 ASN A 83 25.940 6.723 -2.694 1.00 0.00 O ATOM 1103 ND2 ASN A 83 25.268 6.216 -4.776 1.00 0.00 N ATOM 0 H ASN A 83 22.915 4.820 -1.474 1.00 0.00 H new ATOM 0 HA ASN A 83 24.252 7.428 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 83 23.014 5.849 -3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 83 23.167 7.589 -3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 83 26.226 6.095 -5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 83 24.488 6.082 -5.419 1.00 0.00 H new ATOM 1110 N GLY A 84 21.082 7.345 -2.057 1.00 0.00 N ATOM 1111 CA GLY A 84 19.801 7.980 -1.821 1.00 0.00 C ATOM 1112 C GLY A 84 19.862 9.491 -1.925 1.00 0.00 C ATOM 1113 O GLY A 84 20.836 10.113 -1.502 1.00 0.00 O ATOM 0 H GLY A 84 21.103 6.706 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.075 7.601 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.442 7.704 -0.830 1.00 0.00 H new ATOM 1117 N TYR A 85 18.806 10.082 -2.475 1.00 0.00 N ATOM 1118 CA TYR A 85 18.728 11.527 -2.626 1.00 0.00 C ATOM 1119 C TYR A 85 17.622 12.102 -1.749 1.00 0.00 C ATOM 1120 O TYR A 85 17.735 13.214 -1.234 1.00 0.00 O ATOM 1121 CB TYR A 85 18.474 11.887 -4.089 1.00 0.00 C ATOM 1122 CG TYR A 85 19.336 11.111 -5.059 1.00 0.00 C ATOM 1123 CD1 TYR A 85 18.984 9.828 -5.457 1.00 0.00 C ATOM 1124 CD2 TYR A 85 20.503 11.661 -5.571 1.00 0.00 C ATOM 1125 CE1 TYR A 85 19.770 9.115 -6.343 1.00 0.00 C ATOM 1126 CE2 TYR A 85 21.295 10.954 -6.457 1.00 0.00 C ATOM 1127 CZ TYR A 85 20.924 9.683 -6.839 1.00 0.00 C ATOM 1128 OH TYR A 85 21.710 8.977 -7.722 1.00 0.00 O ATOM 0 H TYR A 85 17.991 9.578 -2.824 1.00 0.00 H new ATOM 0 HA TYR A 85 19.678 11.958 -2.311 1.00 0.00 H new ATOM 0 HB2 TYR A 85 17.425 11.706 -4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.653 12.953 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 85 18.082 9.380 -5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 85 20.797 12.657 -5.273 1.00 0.00 H new ATOM 0 HE1 TYR A 85 19.482 8.119 -6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 85 22.200 11.396 -6.848 1.00 0.00 H new ATOM 0 HH TYR A 85 22.485 9.520 -7.976 1.00 0.00 H new ATOM 1138 N GLU A 86 16.561 11.327 -1.578 1.00 0.00 N ATOM 1139 CA GLU A 86 15.427 11.738 -0.765 1.00 0.00 C ATOM 1140 C GLU A 86 15.519 11.137 0.633 1.00 0.00 C ATOM 1141 O GLU A 86 16.528 10.530 0.993 1.00 0.00 O ATOM 1142 CB GLU A 86 14.124 11.302 -1.436 1.00 0.00 C ATOM 1143 CG GLU A 86 13.489 12.386 -2.290 1.00 0.00 C ATOM 1144 CD GLU A 86 12.094 12.756 -1.825 1.00 0.00 C ATOM 1145 OE1 GLU A 86 11.183 12.822 -2.677 1.00 0.00 O ATOM 1146 OE2 GLU A 86 11.913 12.983 -0.610 1.00 0.00 O ATOM 0 H GLU A 86 16.462 10.402 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 86 15.441 12.824 -0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.320 10.429 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.415 10.994 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.121 13.274 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.445 12.048 -3.325 1.00 0.00 H new ATOM 1153 N ASP A 87 14.459 11.303 1.417 1.00 0.00 N ATOM 1154 CA ASP A 87 14.427 10.775 2.775 1.00 0.00 C ATOM 1155 C ASP A 87 13.640 9.470 2.843 1.00 0.00 C ATOM 1156 O ASP A 87 13.825 8.671 3.761 1.00 0.00 O ATOM 1157 CB ASP A 87 13.815 11.800 3.730 1.00 0.00 C ATOM 1158 CG ASP A 87 14.840 12.387 4.681 1.00 0.00 C ATOM 1159 OD1 ASP A 87 15.626 11.609 5.261 1.00 0.00 O ATOM 1160 OD2 ASP A 87 14.857 13.625 4.845 1.00 0.00 O ATOM 0 H ASP A 87 13.613 11.798 1.136 1.00 0.00 H new ATOM 0 HA ASP A 87 15.454 10.571 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.357 12.603 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.019 11.327 4.305 1.00 0.00 H new ATOM 1165 N PHE A 88 12.762 9.259 1.868 1.00 0.00 N ATOM 1166 CA PHE A 88 11.945 8.053 1.830 1.00 0.00 C ATOM 1167 C PHE A 88 11.923 7.442 0.434 1.00 0.00 C ATOM 1168 O PHE A 88 12.505 7.986 -0.504 1.00 0.00 O ATOM 1169 CB PHE A 88 10.520 8.369 2.283 1.00 0.00 C ATOM 1170 CG PHE A 88 10.293 8.123 3.741 1.00 0.00 C ATOM 1171 CD1 PHE A 88 9.754 6.925 4.172 1.00 0.00 C ATOM 1172 CD2 PHE A 88 10.626 9.084 4.679 1.00 0.00 C ATOM 1173 CE1 PHE A 88 9.545 6.689 5.514 1.00 0.00 C ATOM 1174 CE2 PHE A 88 10.420 8.855 6.025 1.00 0.00 C ATOM 1175 CZ PHE A 88 9.879 7.655 6.444 1.00 0.00 C ATOM 0 H PHE A 88 12.599 9.906 1.096 1.00 0.00 H new ATOM 0 HA PHE A 88 12.388 7.326 2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.298 9.412 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.820 7.764 1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.494 6.166 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.051 10.022 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.121 5.750 5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.681 9.613 6.749 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.717 7.472 7.496 1.00 0.00 H new ATOM 1185 N TYR A 89 11.254 6.301 0.309 1.00 0.00 N ATOM 1186 CA TYR A 89 11.156 5.607 -0.969 1.00 0.00 C ATOM 1187 C TYR A 89 9.861 4.809 -1.046 1.00 0.00 C ATOM 1188 O TYR A 89 9.200 4.590 -0.034 1.00 0.00 O ATOM 1189 CB TYR A 89 12.360 4.682 -1.163 1.00 0.00 C ATOM 1190 CG TYR A 89 13.685 5.406 -1.113 1.00 0.00 C ATOM 1191 CD1 TYR A 89 14.271 5.742 0.102 1.00 0.00 C ATOM 1192 CD2 TYR A 89 14.344 5.765 -2.281 1.00 0.00 C ATOM 1193 CE1 TYR A 89 15.482 6.404 0.150 1.00 0.00 C ATOM 1194 CE2 TYR A 89 15.553 6.431 -2.241 1.00 0.00 C ATOM 1195 CZ TYR A 89 16.118 6.747 -1.024 1.00 0.00 C ATOM 1196 OH TYR A 89 17.320 7.411 -0.981 1.00 0.00 O ATOM 0 H TYR A 89 10.771 5.837 1.078 1.00 0.00 H new ATOM 0 HA TYR A 89 11.152 6.350 -1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.346 3.912 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.268 4.174 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.771 5.481 1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 89 13.904 5.519 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.928 6.652 1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.053 6.703 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 89 17.463 7.771 -0.081 1.00 0.00 H new ATOM 1206 N THR A 90 9.495 4.389 -2.252 1.00 0.00 N ATOM 1207 CA THR A 90 8.268 3.628 -2.451 1.00 0.00 C ATOM 1208 C THR A 90 8.535 2.353 -3.241 1.00 0.00 C ATOM 1209 O THR A 90 9.664 2.088 -3.650 1.00 0.00 O ATOM 1210 CB THR A 90 7.229 4.483 -3.177 1.00 0.00 C ATOM 1211 OG1 THR A 90 7.803 5.119 -4.305 1.00 0.00 O ATOM 1212 CG2 THR A 90 6.623 5.556 -2.301 1.00 0.00 C ATOM 0 H THR A 90 10.029 4.562 -3.104 1.00 0.00 H new ATOM 0 HA THR A 90 7.882 3.348 -1.471 1.00 0.00 H new ATOM 0 HB THR A 90 6.440 3.792 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.122 5.660 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.894 6.127 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.129 5.092 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.409 6.223 -1.947 1.00 0.00 H new ATOM 1220 N ASP A 91 7.487 1.566 -3.453 1.00 0.00 N ATOM 1221 CA ASP A 91 7.610 0.321 -4.191 1.00 0.00 C ATOM 1222 C ASP A 91 8.003 0.579 -5.627 1.00 0.00 C ATOM 1223 O ASP A 91 7.184 0.950 -6.467 1.00 0.00 O ATOM 1224 CB ASP A 91 6.313 -0.470 -4.144 1.00 0.00 C ATOM 1225 CG ASP A 91 6.434 -1.822 -4.819 1.00 0.00 C ATOM 1226 OD1 ASP A 91 6.970 -1.878 -5.946 1.00 0.00 O ATOM 1227 OD2 ASP A 91 5.992 -2.826 -4.221 1.00 0.00 O ATOM 0 H ASP A 91 6.544 1.770 -3.123 1.00 0.00 H new ATOM 0 HA ASP A 91 8.395 -0.267 -3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.015 -0.611 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.523 0.105 -4.627 1.00 0.00 H new ATOM 1232 N GLY A 92 9.272 0.372 -5.885 1.00 0.00 N ATOM 1233 CA GLY A 92 9.809 0.554 -7.217 1.00 0.00 C ATOM 1234 C GLY A 92 10.928 1.576 -7.270 1.00 0.00 C ATOM 1235 O GLY A 92 11.220 2.125 -8.332 1.00 0.00 O ATOM 0 H GLY A 92 9.956 0.076 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.180 -0.402 -7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.007 0.866 -7.886 1.00 0.00 H new ATOM 1239 N SER A 93 11.562 1.833 -6.128 1.00 0.00 N ATOM 1240 CA SER A 93 12.667 2.787 -6.075 1.00 0.00 C ATOM 1241 C SER A 93 14.004 2.058 -6.024 1.00 0.00 C ATOM 1242 O SER A 93 14.062 0.875 -5.688 1.00 0.00 O ATOM 1243 CB SER A 93 12.528 3.714 -4.865 1.00 0.00 C ATOM 1244 OG SER A 93 11.179 3.803 -4.441 1.00 0.00 O ATOM 0 H SER A 93 11.332 1.398 -5.234 1.00 0.00 H new ATOM 0 HA SER A 93 12.632 3.392 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.146 3.344 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.898 4.707 -5.120 1.00 0.00 H new ATOM 0 HG SER A 93 10.978 3.062 -3.832 1.00 0.00 H new ATOM 1250 N VAL A 94 15.077 2.764 -6.366 1.00 0.00 N ATOM 1251 CA VAL A 94 16.404 2.166 -6.374 1.00 0.00 C ATOM 1252 C VAL A 94 17.431 3.074 -5.704 1.00 0.00 C ATOM 1253 O VAL A 94 17.286 4.297 -5.688 1.00 0.00 O ATOM 1254 CB VAL A 94 16.861 1.845 -7.812 1.00 0.00 C ATOM 1255 CG1 VAL A 94 15.903 0.859 -8.459 1.00 0.00 C ATOM 1256 CG2 VAL A 94 18.281 1.298 -7.825 1.00 0.00 C ATOM 0 H VAL A 94 15.053 3.746 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 94 16.337 1.238 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 94 16.854 2.771 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 94 16.236 0.640 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 94 15.882 -0.063 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.903 1.291 -8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.578 1.080 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 94 18.960 2.038 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.324 0.384 -7.233 1.00 0.00 H new ATOM 1266 N VAL A 95 18.476 2.458 -5.162 1.00 0.00 N ATOM 1267 CA VAL A 95 19.551 3.192 -4.504 1.00 0.00 C ATOM 1268 C VAL A 95 20.885 2.490 -4.709 1.00 0.00 C ATOM 1269 O VAL A 95 20.942 1.266 -4.815 1.00 0.00 O ATOM 1270 CB VAL A 95 19.298 3.344 -2.995 1.00 0.00 C ATOM 1271 CG1 VAL A 95 20.345 4.242 -2.358 1.00 0.00 C ATOM 1272 CG2 VAL A 95 17.905 3.887 -2.741 1.00 0.00 C ATOM 0 H VAL A 95 18.602 1.446 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 95 19.579 4.183 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 95 19.373 2.358 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.145 4.334 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 95 21.334 3.809 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 95 20.308 5.228 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 95 17.744 3.988 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 95 17.802 4.862 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 95 17.166 3.202 -3.156 1.00 0.00 H new ATOM 1282 N THR A 96 21.954 3.270 -4.762 1.00 0.00 N ATOM 1283 CA THR A 96 23.287 2.719 -4.954 1.00 0.00 C ATOM 1284 C THR A 96 24.081 2.751 -3.657 1.00 0.00 C ATOM 1285 O THR A 96 24.112 3.763 -2.957 1.00 0.00 O ATOM 1286 CB THR A 96 24.029 3.494 -6.044 1.00 0.00 C ATOM 1287 OG1 THR A 96 23.403 4.742 -6.286 1.00 0.00 O ATOM 1288 CG2 THR A 96 24.103 2.750 -7.359 1.00 0.00 C ATOM 0 H THR A 96 21.925 4.286 -4.675 1.00 0.00 H new ATOM 0 HA THR A 96 23.183 1.680 -5.266 1.00 0.00 H new ATOM 0 HB THR A 96 25.042 3.630 -5.666 1.00 0.00 H new ATOM 0 HG1 THR A 96 23.883 5.217 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 96 24.642 3.354 -8.089 1.00 0.00 H new ATOM 0 HG22 THR A 96 24.626 1.805 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 96 23.095 2.554 -7.723 1.00 0.00 H new ATOM 1296 N TYR A 97 24.717 1.631 -3.341 1.00 0.00 N ATOM 1297 CA TYR A 97 25.505 1.519 -2.123 1.00 0.00 C ATOM 1298 C TYR A 97 26.967 1.854 -2.386 1.00 0.00 C ATOM 1299 O TYR A 97 27.434 1.793 -3.524 1.00 0.00 O ATOM 1300 CB TYR A 97 25.389 0.106 -1.554 1.00 0.00 C ATOM 1301 CG TYR A 97 24.225 -0.074 -0.614 1.00 0.00 C ATOM 1302 CD1 TYR A 97 24.414 -0.584 0.662 1.00 0.00 C ATOM 1303 CD2 TYR A 97 22.936 0.251 -1.010 1.00 0.00 C ATOM 1304 CE1 TYR A 97 23.348 -0.758 1.523 1.00 0.00 C ATOM 1305 CE2 TYR A 97 21.866 0.083 -0.155 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.077 -0.423 1.110 1.00 0.00 C ATOM 1307 OH TYR A 97 21.012 -0.597 1.963 1.00 0.00 O ATOM 0 H TYR A 97 24.702 0.786 -3.913 1.00 0.00 H new ATOM 0 HA TYR A 97 25.115 2.233 -1.398 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.292 -0.601 -2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.311 -0.141 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 97 25.409 -0.849 0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 97 22.767 0.642 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 97 23.510 -1.154 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 97 20.869 0.346 -0.475 1.00 0.00 H new ATOM 0 HH TYR A 97 21.055 0.069 2.681 1.00 0.00 H new ATOM 1317 N SER A 98 27.686 2.206 -1.327 1.00 0.00 N ATOM 1318 CA SER A 98 29.099 2.551 -1.444 1.00 0.00 C ATOM 1319 C SER A 98 29.828 2.346 -0.121 1.00 0.00 C ATOM 1320 O SER A 98 29.275 2.596 0.950 1.00 0.00 O ATOM 1321 CB SER A 98 29.253 4.001 -1.904 1.00 0.00 C ATOM 1322 OG SER A 98 28.932 4.905 -0.861 1.00 0.00 O ATOM 0 H SER A 98 27.315 2.260 -0.378 1.00 0.00 H new ATOM 0 HA SER A 98 29.545 1.889 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.277 4.173 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.605 4.185 -2.761 1.00 0.00 H new ATOM 0 HG SER A 98 29.040 5.825 -1.181 1.00 0.00 H new ATOM 1328 N CYS A 99 31.075 1.895 -0.206 1.00 0.00 N ATOM 1329 CA CYS A 99 31.886 1.650 0.981 1.00 0.00 C ATOM 1330 C CYS A 99 32.324 2.957 1.632 1.00 0.00 C ATOM 1331 O CYS A 99 32.322 4.012 0.997 1.00 0.00 O ATOM 1332 CB CYS A 99 33.111 0.814 0.615 1.00 0.00 C ATOM 1333 SG CYS A 99 32.710 -0.774 -0.184 1.00 0.00 S ATOM 0 H CYS A 99 31.547 1.691 -1.087 1.00 0.00 H new ATOM 0 HA CYS A 99 31.275 1.102 1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 99 33.748 1.394 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 99 33.689 0.619 1.519 1.00 0.00 H new ATOM 1338 N ASN A 100 32.709 2.878 2.904 1.00 0.00 N ATOM 1339 CA ASN A 100 33.140 4.053 3.649 1.00 0.00 C ATOM 1340 C ASN A 100 34.657 4.215 3.605 1.00 0.00 C ATOM 1341 O ASN A 100 35.174 5.131 2.964 1.00 0.00 O ATOM 1342 CB ASN A 100 32.669 3.950 5.102 1.00 0.00 C ATOM 1343 CG ASN A 100 31.250 3.432 5.217 1.00 0.00 C ATOM 1344 OD1 ASN A 100 30.377 3.802 4.435 1.00 0.00 O ATOM 1345 ND2 ASN A 100 31.014 2.565 6.195 1.00 0.00 N ATOM 0 H ASN A 100 32.730 2.010 3.439 1.00 0.00 H new ATOM 0 HA ASN A 100 32.694 4.931 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 100 33.339 3.289 5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 100 32.733 4.931 5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 100 30.078 2.179 6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 100 31.769 2.285 6.822 1.00 0.00 H new ATOM 1352 N SER A 101 35.365 3.332 4.303 1.00 0.00 N ATOM 1353 CA SER A 101 36.822 3.389 4.362 1.00 0.00 C ATOM 1354 C SER A 101 37.445 3.183 2.984 1.00 0.00 C ATOM 1355 O SER A 101 38.588 3.573 2.747 1.00 0.00 O ATOM 1356 CB SER A 101 37.351 2.332 5.334 1.00 0.00 C ATOM 1357 OG SER A 101 37.873 2.933 6.507 1.00 0.00 O ATOM 0 H SER A 101 34.952 2.567 4.837 1.00 0.00 H new ATOM 0 HA SER A 101 37.103 4.381 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 101 36.548 1.644 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 101 38.128 1.742 4.847 1.00 0.00 H new ATOM 0 HG SER A 101 38.203 2.237 7.112 1.00 0.00 H new ATOM 1363 N GLY A 102 36.693 2.563 2.081 1.00 0.00 N ATOM 1364 CA GLY A 102 37.196 2.319 0.742 1.00 0.00 C ATOM 1365 C GLY A 102 37.203 0.847 0.379 1.00 0.00 C ATOM 1366 O GLY A 102 38.050 0.395 -0.391 1.00 0.00 O ATOM 0 H GLY A 102 35.746 2.226 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 102 36.583 2.863 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.209 2.714 0.661 1.00 0.00 H new ATOM 1370 N TYR A 103 36.257 0.097 0.935 1.00 0.00 N ATOM 1371 CA TYR A 103 36.150 -1.325 0.659 1.00 0.00 C ATOM 1372 C TYR A 103 35.652 -1.556 -0.763 1.00 0.00 C ATOM 1373 O TYR A 103 35.538 -0.615 -1.549 1.00 0.00 O ATOM 1374 CB TYR A 103 35.208 -1.982 1.672 1.00 0.00 C ATOM 1375 CG TYR A 103 35.847 -2.200 3.026 1.00 0.00 C ATOM 1376 CD1 TYR A 103 35.935 -1.164 3.948 1.00 0.00 C ATOM 1377 CD2 TYR A 103 36.377 -3.435 3.375 1.00 0.00 C ATOM 1378 CE1 TYR A 103 36.526 -1.356 5.183 1.00 0.00 C ATOM 1379 CE2 TYR A 103 36.965 -3.636 4.610 1.00 0.00 C ATOM 1380 CZ TYR A 103 37.039 -2.593 5.509 1.00 0.00 C ATOM 1381 OH TYR A 103 37.627 -2.788 6.737 1.00 0.00 O ATOM 0 H TYR A 103 35.553 0.455 1.581 1.00 0.00 H new ATOM 0 HA TYR A 103 37.137 -1.778 0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 103 34.322 -1.359 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.872 -2.941 1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 103 35.535 -0.193 3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 103 36.329 -4.252 2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 103 36.585 -0.541 5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 103 37.364 -4.605 4.869 1.00 0.00 H new ATOM 0 HH TYR A 103 37.936 -3.715 6.808 1.00 0.00 H new ATOM 1391 N SER A 104 35.368 -2.807 -1.094 1.00 0.00 N ATOM 1392 CA SER A 104 34.890 -3.150 -2.424 1.00 0.00 C ATOM 1393 C SER A 104 33.424 -3.560 -2.392 1.00 0.00 C ATOM 1394 O SER A 104 33.075 -4.632 -1.893 1.00 0.00 O ATOM 1395 CB SER A 104 35.733 -4.277 -3.025 1.00 0.00 C ATOM 1396 OG SER A 104 36.614 -3.781 -4.018 1.00 0.00 O ATOM 0 H SER A 104 35.460 -3.601 -0.460 1.00 0.00 H new ATOM 0 HA SER A 104 34.986 -2.263 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 104 36.306 -4.766 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 104 35.079 -5.033 -3.460 1.00 0.00 H new ATOM 0 HG SER A 104 37.142 -4.520 -4.385 1.00 0.00 H new ATOM 1402 N LEU A 105 32.576 -2.698 -2.939 1.00 0.00 N ATOM 1403 CA LEU A 105 31.145 -2.952 -3.018 1.00 0.00 C ATOM 1404 C LEU A 105 30.877 -4.353 -3.545 1.00 0.00 C ATOM 1405 O LEU A 105 31.193 -4.670 -4.691 1.00 0.00 O ATOM 1406 CB LEU A 105 30.491 -1.920 -3.936 1.00 0.00 C ATOM 1407 CG LEU A 105 29.217 -1.260 -3.404 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.355 -0.902 -1.933 1.00 0.00 C ATOM 1409 CD2 LEU A 105 28.010 -2.159 -3.631 1.00 0.00 C ATOM 0 H LEU A 105 32.862 -1.804 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 105 30.720 -2.872 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.220 -1.138 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 105 30.257 -2.403 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 105 29.064 -0.334 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.434 -0.435 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.545 -1.806 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.185 -0.208 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.115 -1.671 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.891 -2.345 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.159 -3.106 -3.112 1.00 0.00 H new ATOM 1421 N ILE A 106 30.320 -5.192 -2.690 1.00 0.00 N ATOM 1422 CA ILE A 106 30.017 -6.561 -3.056 1.00 0.00 C ATOM 1423 C ILE A 106 28.668 -6.640 -3.749 1.00 0.00 C ATOM 1424 O ILE A 106 27.776 -5.841 -3.481 1.00 0.00 O ATOM 1425 CB ILE A 106 30.024 -7.470 -1.818 1.00 0.00 C ATOM 1426 CG1 ILE A 106 31.414 -7.470 -1.187 1.00 0.00 C ATOM 1427 CG2 ILE A 106 29.597 -8.885 -2.180 1.00 0.00 C ATOM 1428 CD1 ILE A 106 32.514 -7.854 -2.151 1.00 0.00 C ATOM 0 H ILE A 106 30.068 -4.946 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 106 30.789 -6.905 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 106 29.307 -7.082 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 106 31.623 -6.478 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 106 31.422 -8.162 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.610 -9.509 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 106 28.589 -8.866 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 106 30.285 -9.295 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 106 33.474 -7.833 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 106 32.329 -8.858 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 106 32.533 -7.148 -2.981 1.00 0.00 H new ATOM 1440 N GLY A 107 28.530 -7.603 -4.646 1.00 0.00 N ATOM 1441 CA GLY A 107 27.294 -7.745 -5.382 1.00 0.00 C ATOM 1442 C GLY A 107 26.974 -6.504 -6.188 1.00 0.00 C ATOM 1443 O GLY A 107 27.844 -5.951 -6.863 1.00 0.00 O ATOM 0 H GLY A 107 29.250 -8.287 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 107 27.365 -8.604 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 107 26.479 -7.948 -4.688 1.00 0.00 H new ATOM 1447 N ASN A 108 25.736 -6.042 -6.088 1.00 0.00 N ATOM 1448 CA ASN A 108 25.298 -4.865 -6.820 1.00 0.00 C ATOM 1449 C ASN A 108 25.004 -3.700 -5.880 1.00 0.00 C ATOM 1450 O ASN A 108 24.324 -3.863 -4.867 1.00 0.00 O ATOM 1451 CB ASN A 108 24.050 -5.206 -7.624 1.00 0.00 C ATOM 1452 CG ASN A 108 22.978 -5.853 -6.771 1.00 0.00 C ATOM 1453 OD1 ASN A 108 22.040 -5.194 -6.323 1.00 0.00 O ATOM 1454 ND2 ASN A 108 23.120 -7.152 -6.534 1.00 0.00 N ATOM 0 H ASN A 108 25.015 -6.467 -5.504 1.00 0.00 H new ATOM 0 HA ASN A 108 26.102 -4.560 -7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 108 23.652 -4.298 -8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 108 24.318 -5.878 -8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 108 22.435 -7.643 -5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 108 23.914 -7.658 -6.926 1.00 0.00 H new ATOM 1461 N SER A 109 25.511 -2.523 -6.233 1.00 0.00 N ATOM 1462 CA SER A 109 25.280 -1.321 -5.439 1.00 0.00 C ATOM 1463 C SER A 109 23.800 -0.953 -5.448 1.00 0.00 C ATOM 1464 O SER A 109 23.291 -0.349 -4.505 1.00 0.00 O ATOM 1465 CB SER A 109 26.119 -0.161 -5.978 1.00 0.00 C ATOM 1466 OG SER A 109 25.481 1.086 -5.762 1.00 0.00 O ATOM 0 H SER A 109 26.084 -2.376 -7.064 1.00 0.00 H new ATOM 0 HA SER A 109 25.580 -1.521 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.095 -0.160 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.293 -0.302 -7.045 1.00 0.00 H new ATOM 0 HG SER A 109 26.150 1.757 -5.511 1.00 0.00 H new ATOM 1472 N GLY A 110 23.116 -1.343 -6.517 1.00 0.00 N ATOM 1473 CA GLY A 110 21.701 -1.050 -6.647 1.00 0.00 C ATOM 1474 C GLY A 110 20.845 -1.831 -5.666 1.00 0.00 C ATOM 1475 O GLY A 110 21.080 -3.016 -5.431 1.00 0.00 O ATOM 0 H GLY A 110 23.518 -1.859 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 110 21.540 0.017 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.380 -1.277 -7.663 1.00 0.00 H new ATOM 1479 N VAL A 111 19.847 -1.161 -5.096 1.00 0.00 N ATOM 1480 CA VAL A 111 18.939 -1.791 -4.141 1.00 0.00 C ATOM 1481 C VAL A 111 17.495 -1.419 -4.450 1.00 0.00 C ATOM 1482 O VAL A 111 17.153 -0.241 -4.501 1.00 0.00 O ATOM 1483 CB VAL A 111 19.258 -1.376 -2.699 1.00 0.00 C ATOM 1484 CG1 VAL A 111 18.623 -2.343 -1.714 1.00 0.00 C ATOM 1485 CG2 VAL A 111 20.760 -1.289 -2.481 1.00 0.00 C ATOM 0 H VAL A 111 19.646 -0.178 -5.280 1.00 0.00 H new ATOM 0 HA VAL A 111 19.074 -2.868 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 111 18.836 -0.386 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.860 -2.033 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.542 -2.344 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.012 -3.347 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.962 -0.993 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.213 -2.262 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.184 -0.550 -3.161 1.00 0.00 H new ATOM 1495 N LEU A 112 16.649 -2.426 -4.650 1.00 0.00 N ATOM 1496 CA LEU A 112 15.249 -2.187 -4.986 1.00 0.00 C ATOM 1497 C LEU A 112 14.410 -1.884 -3.751 1.00 0.00 C ATOM 1498 O LEU A 112 14.376 -2.666 -2.801 1.00 0.00 O ATOM 1499 CB LEU A 112 14.659 -3.401 -5.713 1.00 0.00 C ATOM 1500 CG LEU A 112 13.137 -3.367 -5.909 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.626 -4.725 -6.365 1.00 0.00 C ATOM 1502 CD2 LEU A 112 12.754 -2.288 -6.910 1.00 0.00 C ATOM 0 H LEU A 112 16.907 -3.411 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 112 15.222 -1.315 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.134 -3.485 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.918 -4.300 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 112 12.672 -3.130 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.545 -4.681 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.098 -4.993 -7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.868 -5.476 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.672 -2.277 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.086 -1.317 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.230 -2.495 -7.868 1.00 0.00 H new ATOM 1514 N CYS A 113 13.692 -0.768 -3.799 1.00 0.00 N ATOM 1515 CA CYS A 113 12.782 -0.398 -2.729 1.00 0.00 C ATOM 1516 C CYS A 113 11.394 -0.931 -3.047 1.00 0.00 C ATOM 1517 O CYS A 113 10.711 -0.419 -3.937 1.00 0.00 O ATOM 1518 CB CYS A 113 12.735 1.119 -2.568 1.00 0.00 C ATOM 1519 SG CYS A 113 11.430 1.716 -1.445 1.00 0.00 S ATOM 0 H CYS A 113 13.725 -0.103 -4.572 1.00 0.00 H new ATOM 0 HA CYS A 113 13.135 -0.831 -1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 113 13.701 1.463 -2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 113 12.589 1.572 -3.549 1.00 0.00 H new ATOM 1524 N SER A 114 11.010 -1.995 -2.357 1.00 0.00 N ATOM 1525 CA SER A 114 9.726 -2.634 -2.591 1.00 0.00 C ATOM 1526 C SER A 114 9.219 -3.315 -1.328 1.00 0.00 C ATOM 1527 O SER A 114 9.964 -3.505 -0.367 1.00 0.00 O ATOM 1528 CB SER A 114 9.851 -3.655 -3.724 1.00 0.00 C ATOM 1529 OG SER A 114 10.786 -4.669 -3.396 1.00 0.00 O ATOM 0 H SER A 114 11.572 -2.434 -1.628 1.00 0.00 H new ATOM 0 HA SER A 114 9.007 -1.866 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.878 -4.104 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.162 -3.151 -4.639 1.00 0.00 H new ATOM 0 HG SER A 114 10.846 -5.310 -4.135 1.00 0.00 H new ATOM 1535 N GLY A 115 7.942 -3.671 -1.337 1.00 0.00 N ATOM 1536 CA GLY A 115 7.340 -4.328 -0.190 1.00 0.00 C ATOM 1537 C GLY A 115 7.673 -3.645 1.122 1.00 0.00 C ATOM 1538 O GLY A 115 7.754 -4.296 2.163 1.00 0.00 O ATOM 0 H GLY A 115 7.308 -3.516 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.258 -4.351 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.679 -5.363 -0.151 1.00 0.00 H new ATOM 1542 N GLY A 116 7.865 -2.331 1.072 1.00 0.00 N ATOM 1543 CA GLY A 116 8.207 -1.589 2.268 1.00 0.00 C ATOM 1544 C GLY A 116 9.591 -1.931 2.788 1.00 0.00 C ATOM 1545 O GLY A 116 9.969 -1.511 3.881 1.00 0.00 O ATOM 0 H GLY A 116 7.790 -1.768 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.156 -0.521 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.470 -1.796 3.044 1.00 0.00 H new ATOM 1549 N GLU A 117 10.350 -2.696 2.004 1.00 0.00 N ATOM 1550 CA GLU A 117 11.697 -3.086 2.396 1.00 0.00 C ATOM 1551 C GLU A 117 12.658 -2.966 1.220 1.00 0.00 C ATOM 1552 O GLU A 117 12.260 -2.597 0.116 1.00 0.00 O ATOM 1553 CB GLU A 117 11.702 -4.520 2.926 1.00 0.00 C ATOM 1554 CG GLU A 117 10.739 -4.745 4.080 1.00 0.00 C ATOM 1555 CD GLU A 117 11.382 -5.475 5.242 1.00 0.00 C ATOM 1556 OE1 GLU A 117 10.793 -5.472 6.344 1.00 0.00 O ATOM 1557 OE2 GLU A 117 12.475 -6.049 5.052 1.00 0.00 O ATOM 0 H GLU A 117 10.053 -3.055 1.097 1.00 0.00 H new ATOM 0 HA GLU A 117 12.028 -2.413 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.447 -5.200 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.711 -4.775 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.360 -3.783 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.881 -5.317 3.726 1.00 0.00 H new ATOM 1564 N TRP A 118 13.922 -3.287 1.463 1.00 0.00 N ATOM 1565 CA TRP A 118 14.940 -3.213 0.429 1.00 0.00 C ATOM 1566 C TRP A 118 15.461 -4.601 0.079 1.00 0.00 C ATOM 1567 O TRP A 118 15.714 -5.421 0.962 1.00 0.00 O ATOM 1568 CB TRP A 118 16.090 -2.328 0.899 1.00 0.00 C ATOM 1569 CG TRP A 118 15.710 -0.888 1.042 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.215 -0.281 2.160 1.00 0.00 C ATOM 1571 CD2 TRP A 118 15.790 0.128 0.036 1.00 0.00 C ATOM 1572 NE1 TRP A 118 14.990 1.049 1.913 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.333 1.324 0.616 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.205 0.144 -1.299 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.278 2.521 -0.089 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.150 1.335 -1.999 1.00 0.00 C ATOM 1577 CH2 TRP A 118 15.696 2.511 -1.390 1.00 0.00 C ATOM 0 H TRP A 118 14.265 -3.602 2.370 1.00 0.00 H new ATOM 0 HA TRP A 118 14.492 -2.780 -0.466 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.455 -2.697 1.858 1.00 0.00 H new ATOM 0 HB3 TRP A 118 16.915 -2.410 0.191 1.00 0.00 H new ATOM 0 HD1 TRP A 118 15.028 -0.776 3.102 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.626 1.724 2.586 1.00 0.00 H new ATOM 0 HE3 TRP A 118 16.562 -0.757 -1.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 14.918 3.427 0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 16.462 1.359 -3.033 1.00 0.00 H new ATOM 0 HH2 TRP A 118 15.676 3.428 -1.960 1.00 0.00 H new ATOM 1588 N SER A 119 15.619 -4.860 -1.213 1.00 0.00 N ATOM 1589 CA SER A 119 16.105 -6.153 -1.675 1.00 0.00 C ATOM 1590 C SER A 119 17.348 -5.995 -2.541 1.00 0.00 C ATOM 1591 O SER A 119 17.573 -4.943 -3.139 1.00 0.00 O ATOM 1592 CB SER A 119 15.012 -6.880 -2.460 1.00 0.00 C ATOM 1593 OG SER A 119 13.895 -6.036 -2.681 1.00 0.00 O ATOM 0 H SER A 119 15.418 -4.193 -1.958 1.00 0.00 H new ATOM 0 HA SER A 119 16.371 -6.744 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.411 -7.218 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.697 -7.769 -1.913 1.00 0.00 H new ATOM 0 HG SER A 119 13.211 -6.524 -3.186 1.00 0.00 H new ATOM 1599 N ASP A 120 18.152 -7.053 -2.606 1.00 0.00 N ATOM 1600 CA ASP A 120 19.367 -7.048 -3.413 1.00 0.00 C ATOM 1601 C ASP A 120 20.436 -6.094 -2.864 1.00 0.00 C ATOM 1602 O ASP A 120 21.108 -5.408 -3.634 1.00 0.00 O ATOM 1603 CB ASP A 120 19.017 -6.643 -4.835 1.00 0.00 C ATOM 1604 CG ASP A 120 20.088 -7.026 -5.836 1.00 0.00 C ATOM 1605 OD1 ASP A 120 20.078 -6.475 -6.957 1.00 0.00 O ATOM 1606 OD2 ASP A 120 20.933 -7.883 -5.502 1.00 0.00 O ATOM 0 H ASP A 120 17.983 -7.927 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 120 19.784 -8.055 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 120 18.075 -7.112 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 120 18.860 -5.565 -4.873 1.00 0.00 H new ATOM 1611 N PRO A 121 20.640 -6.056 -1.534 1.00 0.00 N ATOM 1612 CA PRO A 121 21.645 -5.184 -0.917 1.00 0.00 C ATOM 1613 C PRO A 121 23.057 -5.755 -1.047 1.00 0.00 C ATOM 1614 O PRO A 121 23.252 -6.968 -0.968 1.00 0.00 O ATOM 1615 CB PRO A 121 21.212 -5.142 0.545 1.00 0.00 C ATOM 1616 CG PRO A 121 20.557 -6.459 0.774 1.00 0.00 C ATOM 1617 CD PRO A 121 19.897 -6.831 -0.529 1.00 0.00 C ATOM 0 HA PRO A 121 21.692 -4.203 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 121 22.065 -5.002 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.524 -4.318 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 121 21.288 -7.212 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 121 19.824 -6.395 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 121 19.965 -7.902 -0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 121 18.838 -6.574 -0.528 1.00 0.00 H new ATOM 1625 N PRO A 122 24.065 -4.888 -1.254 1.00 0.00 N ATOM 1626 CA PRO A 122 25.450 -5.309 -1.415 1.00 0.00 C ATOM 1627 C PRO A 122 26.222 -5.350 -0.109 1.00 0.00 C ATOM 1628 O PRO A 122 25.666 -5.152 0.972 1.00 0.00 O ATOM 1629 CB PRO A 122 26.034 -4.224 -2.314 1.00 0.00 C ATOM 1630 CG PRO A 122 25.204 -3.002 -2.065 1.00 0.00 C ATOM 1631 CD PRO A 122 23.932 -3.431 -1.375 1.00 0.00 C ATOM 0 HA PRO A 122 25.512 -6.322 -1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 122 27.082 -4.041 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 122 25.992 -4.519 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 122 25.751 -2.290 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 122 24.976 -2.499 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 122 23.829 -2.958 -0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 122 23.051 -3.158 -1.956 1.00 0.00 H new ATOM 1639 N THR A 123 27.520 -5.580 -0.235 1.00 0.00 N ATOM 1640 CA THR A 123 28.414 -5.611 0.914 1.00 0.00 C ATOM 1641 C THR A 123 29.667 -4.793 0.630 1.00 0.00 C ATOM 1642 O THR A 123 29.785 -4.172 -0.426 1.00 0.00 O ATOM 1643 CB THR A 123 28.794 -7.052 1.263 1.00 0.00 C ATOM 1644 OG1 THR A 123 27.947 -7.970 0.595 1.00 0.00 O ATOM 1645 CG2 THR A 123 28.719 -7.349 2.744 1.00 0.00 C ATOM 0 H THR A 123 27.981 -5.749 -1.129 1.00 0.00 H new ATOM 0 HA THR A 123 27.893 -5.174 1.766 1.00 0.00 H new ATOM 0 HB THR A 123 29.829 -7.164 0.940 1.00 0.00 H new ATOM 0 HG1 THR A 123 28.207 -8.885 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 123 29.001 -8.387 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 123 29.401 -6.691 3.282 1.00 0.00 H new ATOM 0 HG23 THR A 123 27.701 -7.184 3.097 1.00 0.00 H new ATOM 1653 N CYS A 124 30.595 -4.785 1.577 1.00 0.00 N ATOM 1654 CA CYS A 124 31.835 -4.041 1.412 1.00 0.00 C ATOM 1655 C CYS A 124 33.008 -4.804 2.004 1.00 0.00 C ATOM 1656 O CYS A 124 33.258 -4.747 3.208 1.00 0.00 O ATOM 1657 CB CYS A 124 31.722 -2.663 2.065 1.00 0.00 C ATOM 1658 SG CYS A 124 30.972 -1.397 0.991 1.00 0.00 S ATOM 0 H CYS A 124 30.513 -5.283 2.463 1.00 0.00 H new ATOM 0 HA CYS A 124 32.012 -3.912 0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 124 31.129 -2.751 2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 124 32.716 -2.330 2.363 1.00 0.00 H new ATOM 1663 N GLN A 125 33.722 -5.525 1.149 1.00 0.00 N ATOM 1664 CA GLN A 125 34.870 -6.301 1.584 1.00 0.00 C ATOM 1665 C GLN A 125 36.128 -5.862 0.851 1.00 0.00 C ATOM 1666 O GLN A 125 36.066 -5.089 -0.105 1.00 0.00 O ATOM 1667 CB GLN A 125 34.623 -7.792 1.350 1.00 0.00 C ATOM 1668 CG GLN A 125 33.886 -8.469 2.492 1.00 0.00 C ATOM 1669 CD GLN A 125 33.119 -9.698 2.043 1.00 0.00 C ATOM 1670 OE1 GLN A 125 33.701 -10.654 1.530 1.00 0.00 O ATOM 1671 NE2 GLN A 125 31.805 -9.677 2.233 1.00 0.00 N ATOM 0 H GLN A 125 33.524 -5.587 0.150 1.00 0.00 H new ATOM 0 HA GLN A 125 35.012 -6.128 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 125 34.049 -7.918 0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 125 35.580 -8.292 1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 125 34.602 -8.753 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.194 -7.759 2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.365 -8.863 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.236 -10.475 1.950 1.00 0.00 H new ATOM 1680 N ILE A 126 37.268 -6.356 1.309 1.00 0.00 N ATOM 1681 CA ILE A 126 38.546 -6.018 0.699 1.00 0.00 C ATOM 1682 C ILE A 126 38.957 -7.075 -0.318 1.00 0.00 C ATOM 1683 O ILE A 126 39.987 -7.732 -0.169 1.00 0.00 O ATOM 1684 CB ILE A 126 39.652 -5.873 1.759 1.00 0.00 C ATOM 1685 CG1 ILE A 126 39.257 -4.817 2.790 1.00 0.00 C ATOM 1686 CG2 ILE A 126 40.977 -5.515 1.104 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.176 -3.417 2.222 1.00 0.00 C ATOM 0 H ILE A 126 37.335 -6.993 2.102 1.00 0.00 H new ATOM 0 HA ILE A 126 38.419 -5.061 0.193 1.00 0.00 H new ATOM 0 HB ILE A 126 39.774 -6.828 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 126 38.291 -5.083 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 126 39.981 -4.828 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 126 41.747 -5.417 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 126 41.260 -6.300 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 126 40.875 -4.571 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 126 38.891 -2.720 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.148 -3.131 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 126 38.431 -3.390 1.427 1.00 0.00 H new TER 1699 ILE A 126