USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 683 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 64 ASN : amide:sc= -0.0928 X(o=-0.45,f=-0.36) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.359 K(o=-0.45,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= 0.454 (180deg=0.323) USER MOD Single : A 20 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 0.2 (180deg=-0.413) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.282 K(o=0.28,f=-0.73) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -3 K(o=-3,f=-4.5!) USER MOD Single : A 67 ASN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.719 K(o=-0.72,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.176 -2.352 3.228 1.00 0.00 N ATOM 2 CA PRO A 9 -16.136 -2.136 1.755 1.00 0.00 C ATOM 3 C PRO A 9 -14.702 -2.022 1.234 1.00 0.00 C ATOM 4 O PRO A 9 -14.021 -1.025 1.480 1.00 0.00 O ATOM 5 CB PRO A 9 -16.915 -0.859 1.455 1.00 0.00 C ATOM 6 CG PRO A 9 -17.231 -0.293 2.799 1.00 0.00 C ATOM 7 CD PRO A 9 -17.210 -1.453 3.766 1.00 0.00 C ATOM 0 HA PRO A 9 -16.583 -2.992 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.324 -0.163 0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.822 -1.071 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.499 0.463 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.207 0.193 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.966 -1.125 4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.180 -1.947 3.817 1.00 0.00 H new ATOM 17 N ILE A 10 -14.252 -3.051 0.516 1.00 0.00 N ATOM 18 CA ILE A 10 -12.900 -3.072 -0.039 1.00 0.00 C ATOM 19 C ILE A 10 -12.856 -2.399 -1.411 1.00 0.00 C ATOM 20 O ILE A 10 -13.782 -2.539 -2.213 1.00 0.00 O ATOM 21 CB ILE A 10 -12.360 -4.515 -0.163 1.00 0.00 C ATOM 22 CG1 ILE A 10 -12.385 -5.214 1.198 1.00 0.00 C ATOM 23 CG2 ILE A 10 -10.947 -4.515 -0.734 1.00 0.00 C ATOM 24 CD1 ILE A 10 -12.418 -6.725 1.104 1.00 0.00 C ATOM 0 H ILE A 10 -14.805 -3.882 0.305 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.267 -2.517 0.653 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.006 -5.064 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.506 -4.913 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.258 -4.874 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.586 -5.541 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.954 -4.056 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.289 -3.948 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.434 -7.152 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.311 -7.036 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.532 -7.076 0.575 1.00 0.00 H new ATOM 36 N ARG A 11 -11.770 -1.674 -1.673 1.00 0.00 N ATOM 37 CA ARG A 11 -11.594 -0.980 -2.946 1.00 0.00 C ATOM 38 C ARG A 11 -10.314 -1.438 -3.646 1.00 0.00 C ATOM 39 O ARG A 11 -9.238 -1.452 -3.045 1.00 0.00 O ATOM 40 CB ARG A 11 -11.560 0.535 -2.728 1.00 0.00 C ATOM 41 CG ARG A 11 -11.880 1.338 -3.981 1.00 0.00 C ATOM 42 CD ARG A 11 -13.106 2.217 -3.786 1.00 0.00 C ATOM 43 NE ARG A 11 -14.343 1.435 -3.741 1.00 0.00 N ATOM 44 CZ ARG A 11 -15.567 1.967 -3.800 1.00 0.00 C ATOM 45 NH1 ARG A 11 -15.726 3.284 -3.907 1.00 0.00 N ATOM 46 NH2 ARG A 11 -16.636 1.181 -3.751 1.00 0.00 N ATOM 0 H ARG A 11 -10.997 -1.552 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.442 -1.227 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.273 0.797 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.572 0.820 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.024 1.960 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.048 0.658 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.002 2.783 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.165 2.941 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.265 0.421 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.910 3.895 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.664 3.683 -3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.523 0.171 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.570 1.588 -3.796 1.00 0.00 H new ATOM 60 N LYS A 12 -10.444 -1.811 -4.920 1.00 0.00 N ATOM 61 CA LYS A 12 -9.303 -2.270 -5.712 1.00 0.00 C ATOM 62 C LYS A 12 -8.791 -1.152 -6.620 1.00 0.00 C ATOM 63 O LYS A 12 -9.520 -0.666 -7.487 1.00 0.00 O ATOM 64 CB LYS A 12 -9.697 -3.489 -6.556 1.00 0.00 C ATOM 65 CG LYS A 12 -9.479 -4.821 -5.852 1.00 0.00 C ATOM 66 CD LYS A 12 -10.508 -5.052 -4.755 1.00 0.00 C ATOM 67 CE LYS A 12 -11.628 -5.972 -5.219 1.00 0.00 C ATOM 68 NZ LYS A 12 -11.394 -7.386 -4.812 1.00 0.00 N ATOM 0 H LYS A 12 -11.330 -1.804 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.505 -2.555 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.748 -3.403 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.121 -3.480 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.535 -5.631 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.477 -4.846 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.019 -5.485 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.928 -4.096 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.575 -5.627 -4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.716 -5.917 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.180 -7.979 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.503 -7.724 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.335 -7.444 -3.775 1.00 0.00 H new ATOM 82 N VAL A 13 -7.537 -0.746 -6.412 1.00 0.00 N ATOM 83 CA VAL A 13 -6.932 0.319 -7.210 1.00 0.00 C ATOM 84 C VAL A 13 -5.592 -0.120 -7.801 1.00 0.00 C ATOM 85 O VAL A 13 -4.809 -0.812 -7.146 1.00 0.00 O ATOM 86 CB VAL A 13 -6.721 1.599 -6.372 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.288 2.760 -7.259 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.986 1.953 -5.602 1.00 0.00 C ATOM 0 H VAL A 13 -6.923 -1.139 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.626 0.535 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.926 1.406 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.145 3.651 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.352 2.508 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.057 2.953 -8.007 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.816 2.858 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.803 2.122 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.246 1.133 -4.933 1.00 0.00 H new ATOM 98 N LEU A 14 -5.337 0.292 -9.045 1.00 0.00 N ATOM 99 CA LEU A 14 -4.094 -0.051 -9.735 1.00 0.00 C ATOM 100 C LEU A 14 -3.127 1.135 -9.736 1.00 0.00 C ATOM 101 O LEU A 14 -3.495 2.244 -10.129 1.00 0.00 O ATOM 102 CB LEU A 14 -4.384 -0.485 -11.178 1.00 0.00 C ATOM 103 CG LEU A 14 -5.604 -1.397 -11.361 1.00 0.00 C ATOM 104 CD1 LEU A 14 -6.141 -1.295 -12.781 1.00 0.00 C ATOM 105 CD2 LEU A 14 -5.247 -2.837 -11.026 1.00 0.00 C ATOM 0 H LEU A 14 -5.977 0.865 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.630 -0.880 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.526 0.408 -11.786 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.506 -1.000 -11.568 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.385 -1.068 -10.676 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.006 -1.949 -12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.436 -0.266 -12.985 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.366 -1.597 -13.486 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.124 -3.470 -11.161 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.449 -3.177 -11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.912 -2.897 -9.990 1.00 0.00 H new ATOM 117 N LEU A 15 -1.890 0.893 -9.297 1.00 0.00 N ATOM 118 CA LEU A 15 -0.870 1.940 -9.251 1.00 0.00 C ATOM 119 C LEU A 15 0.252 1.661 -10.251 1.00 0.00 C ATOM 120 O LEU A 15 0.717 0.526 -10.378 1.00 0.00 O ATOM 121 CB LEU A 15 -0.289 2.060 -7.838 1.00 0.00 C ATOM 122 CG LEU A 15 0.465 3.364 -7.557 1.00 0.00 C ATOM 123 CD1 LEU A 15 -0.498 4.542 -7.505 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.253 3.258 -6.258 1.00 0.00 C ATOM 0 H LEU A 15 -1.572 -0.019 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.347 2.882 -9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.102 1.965 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.387 1.223 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 15 1.168 3.534 -8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.058 5.458 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.014 4.633 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.229 4.380 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.782 4.194 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.569 3.061 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.973 2.443 -6.335 1.00 0.00 H new ATOM 136 N LEU A 16 0.683 2.708 -10.955 1.00 0.00 N ATOM 137 CA LEU A 16 1.751 2.587 -11.943 1.00 0.00 C ATOM 138 C LEU A 16 3.030 3.254 -11.444 1.00 0.00 C ATOM 139 O LEU A 16 3.068 4.468 -11.237 1.00 0.00 O ATOM 140 CB LEU A 16 1.316 3.211 -13.274 1.00 0.00 C ATOM 141 CG LEU A 16 1.067 2.214 -14.411 1.00 0.00 C ATOM 142 CD1 LEU A 16 2.350 1.480 -14.772 1.00 0.00 C ATOM 143 CD2 LEU A 16 -0.029 1.228 -14.027 1.00 0.00 C ATOM 0 H LEU A 16 0.307 3.651 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 16 1.954 1.527 -12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.403 3.783 -13.108 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.082 3.918 -13.593 1.00 0.00 H new ATOM 0 HG LEU A 16 0.735 2.769 -15.288 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.152 0.777 -15.581 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.103 2.200 -15.093 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.716 0.937 -13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.192 0.528 -14.846 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.272 0.679 -13.135 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.952 1.771 -13.825 1.00 0.00 H new ATOM 155 N LYS A 17 4.076 2.450 -11.257 1.00 0.00 N ATOM 156 CA LYS A 17 5.360 2.957 -10.784 1.00 0.00 C ATOM 157 C LYS A 17 6.502 2.486 -11.682 1.00 0.00 C ATOM 158 O LYS A 17 6.405 1.443 -12.332 1.00 0.00 O ATOM 159 CB LYS A 17 5.615 2.517 -9.337 1.00 0.00 C ATOM 160 CG LYS A 17 5.574 1.008 -9.131 1.00 0.00 C ATOM 161 CD LYS A 17 6.965 0.394 -9.194 1.00 0.00 C ATOM 162 CE LYS A 17 7.496 0.069 -7.806 1.00 0.00 C ATOM 163 NZ LYS A 17 8.055 -1.310 -7.729 1.00 0.00 N ATOM 0 H LYS A 17 4.058 1.444 -11.426 1.00 0.00 H new ATOM 0 HA LYS A 17 5.321 4.046 -10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.589 2.890 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.871 2.982 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.121 0.785 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.941 0.554 -9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.935 -0.515 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.646 1.084 -9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.269 0.789 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.693 0.175 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.075 -1.622 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.459 -1.957 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.022 -1.315 -8.113 1.00 0.00 H new ATOM 177 N GLU A 18 7.583 3.263 -11.706 1.00 0.00 N ATOM 178 CA GLU A 18 8.751 2.934 -12.518 1.00 0.00 C ATOM 179 C GLU A 18 9.945 2.572 -11.639 1.00 0.00 C ATOM 180 O GLU A 18 9.954 2.861 -10.442 1.00 0.00 O ATOM 181 CB GLU A 18 9.118 4.112 -13.420 1.00 0.00 C ATOM 182 CG GLU A 18 9.335 3.721 -14.874 1.00 0.00 C ATOM 183 CD GLU A 18 8.082 3.853 -15.723 1.00 0.00 C ATOM 184 OE1 GLU A 18 7.326 4.829 -15.526 1.00 0.00 O ATOM 185 OE2 GLU A 18 7.861 2.982 -16.590 1.00 0.00 O ATOM 0 H GLU A 18 7.674 4.127 -11.171 1.00 0.00 H new ATOM 0 HA GLU A 18 8.498 2.071 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.326 4.859 -13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.025 4.581 -13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.121 4.346 -15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.689 2.691 -14.918 1.00 0.00 H new ATOM 192 N ASP A 19 10.955 1.946 -12.245 1.00 0.00 N ATOM 193 CA ASP A 19 12.163 1.552 -11.518 1.00 0.00 C ATOM 194 C ASP A 19 12.827 2.763 -10.864 1.00 0.00 C ATOM 195 O ASP A 19 13.330 2.676 -9.744 1.00 0.00 O ATOM 196 CB ASP A 19 13.155 0.861 -12.461 1.00 0.00 C ATOM 197 CG ASP A 19 13.951 -0.235 -11.775 1.00 0.00 C ATOM 198 OD1 ASP A 19 13.380 -0.943 -10.916 1.00 0.00 O ATOM 199 OD2 ASP A 19 15.147 -0.388 -12.098 1.00 0.00 O ATOM 0 H ASP A 19 10.961 1.701 -13.235 1.00 0.00 H new ATOM 0 HA ASP A 19 11.870 0.853 -10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.612 0.436 -13.305 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.842 1.604 -12.866 1.00 0.00 H new ATOM 204 N HIS A 20 12.816 3.892 -11.574 1.00 0.00 N ATOM 205 CA HIS A 20 13.408 5.128 -11.068 1.00 0.00 C ATOM 206 C HIS A 20 12.473 5.827 -10.073 1.00 0.00 C ATOM 207 O HIS A 20 12.932 6.545 -9.184 1.00 0.00 O ATOM 208 CB HIS A 20 13.746 6.071 -12.231 1.00 0.00 C ATOM 209 CG HIS A 20 12.555 6.499 -13.037 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.852 7.657 -12.784 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.945 5.914 -14.095 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.860 7.765 -13.649 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.893 6.721 -14.457 1.00 0.00 N ATOM 0 H HIS A 20 12.402 3.974 -12.503 1.00 0.00 H new ATOM 0 HA HIS A 20 14.327 4.869 -10.542 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.241 6.958 -11.834 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.459 5.576 -12.890 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.232 4.986 -14.567 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.143 8.571 -13.689 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.244 6.543 -15.224 1.00 0.00 H new ATOM 222 N GLU A 21 11.162 5.615 -10.229 1.00 0.00 N ATOM 223 CA GLU A 21 10.170 6.227 -9.345 1.00 0.00 C ATOM 224 C GLU A 21 10.004 5.423 -8.054 1.00 0.00 C ATOM 225 O GLU A 21 10.390 4.255 -7.983 1.00 0.00 O ATOM 226 CB GLU A 21 8.824 6.344 -10.066 1.00 0.00 C ATOM 227 CG GLU A 21 8.526 7.747 -10.568 1.00 0.00 C ATOM 228 CD GLU A 21 7.569 8.500 -9.664 1.00 0.00 C ATOM 229 OE1 GLU A 21 7.946 8.790 -8.508 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.442 8.799 -10.111 1.00 0.00 O ATOM 0 H GLU A 21 10.765 5.024 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 21 10.525 7.223 -9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.812 5.654 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.029 6.033 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.459 8.305 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.102 7.688 -11.570 1.00 0.00 H new ATOM 237 N GLY A 22 9.428 6.063 -7.033 1.00 0.00 N ATOM 238 CA GLY A 22 9.222 5.401 -5.753 1.00 0.00 C ATOM 239 C GLY A 22 7.798 4.905 -5.565 1.00 0.00 C ATOM 240 O GLY A 22 7.143 4.495 -6.526 1.00 0.00 O ATOM 0 H GLY A 22 9.101 7.028 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.908 4.558 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.469 6.093 -4.948 1.00 0.00 H new ATOM 244 N LEU A 23 7.321 4.940 -4.318 1.00 0.00 N ATOM 245 CA LEU A 23 5.967 4.490 -3.990 1.00 0.00 C ATOM 246 C LEU A 23 4.951 5.623 -4.147 1.00 0.00 C ATOM 247 O LEU A 23 3.940 5.467 -4.834 1.00 0.00 O ATOM 248 CB LEU A 23 5.920 3.939 -2.559 1.00 0.00 C ATOM 249 CG LEU A 23 4.987 2.742 -2.356 1.00 0.00 C ATOM 250 CD1 LEU A 23 5.660 1.455 -2.811 1.00 0.00 C ATOM 251 CD2 LEU A 23 4.563 2.640 -0.898 1.00 0.00 C ATOM 0 H LEU A 23 7.855 5.277 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 23 5.702 3.696 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.928 3.648 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.610 4.740 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 23 4.095 2.893 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.981 0.616 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.912 1.530 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.570 1.296 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.900 1.784 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.445 2.512 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.040 3.551 -0.607 1.00 0.00 H new ATOM 263 N GLY A 24 5.224 6.761 -3.503 1.00 0.00 N ATOM 264 CA GLY A 24 4.323 7.903 -3.580 1.00 0.00 C ATOM 265 C GLY A 24 3.487 8.101 -2.321 1.00 0.00 C ATOM 266 O GLY A 24 2.847 9.142 -2.159 1.00 0.00 O ATOM 0 H GLY A 24 6.054 6.911 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.907 8.805 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.657 7.774 -4.433 1.00 0.00 H new ATOM 270 N ILE A 25 3.493 7.107 -1.428 1.00 0.00 N ATOM 271 CA ILE A 25 2.733 7.186 -0.181 1.00 0.00 C ATOM 272 C ILE A 25 3.525 6.594 0.982 1.00 0.00 C ATOM 273 O ILE A 25 4.359 5.707 0.789 1.00 0.00 O ATOM 274 CB ILE A 25 1.372 6.458 -0.282 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.566 4.975 -0.632 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.473 7.140 -1.303 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.915 4.721 -2.085 1.00 0.00 C ATOM 0 H ILE A 25 4.016 6.239 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 25 2.549 8.245 0.000 1.00 0.00 H new ATOM 0 HB ILE A 25 0.886 6.513 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.356 4.565 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.652 4.433 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.479 6.613 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.299 8.173 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.955 7.124 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.035 3.650 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.115 5.098 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.846 5.232 -2.330 1.00 0.00 H new ATOM 289 N SER A 26 3.256 7.091 2.189 1.00 0.00 N ATOM 290 CA SER A 26 3.937 6.616 3.390 1.00 0.00 C ATOM 291 C SER A 26 2.995 5.791 4.264 1.00 0.00 C ATOM 292 O SER A 26 1.838 6.163 4.471 1.00 0.00 O ATOM 293 CB SER A 26 4.485 7.802 4.185 1.00 0.00 C ATOM 294 OG SER A 26 5.900 7.763 4.247 1.00 0.00 O ATOM 0 H SER A 26 2.569 7.825 2.360 1.00 0.00 H new ATOM 0 HA SER A 26 4.764 5.976 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.164 8.735 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.073 7.789 5.194 1.00 0.00 H new ATOM 0 HG SER A 26 6.226 8.532 4.759 1.00 0.00 H new ATOM 300 N ILE A 27 3.501 4.671 4.778 1.00 0.00 N ATOM 301 CA ILE A 27 2.708 3.788 5.631 1.00 0.00 C ATOM 302 C ILE A 27 3.282 3.712 7.045 1.00 0.00 C ATOM 303 O ILE A 27 4.481 3.904 7.253 1.00 0.00 O ATOM 304 CB ILE A 27 2.619 2.360 5.045 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.014 1.829 4.695 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.717 2.345 3.818 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.063 0.326 4.523 1.00 0.00 C ATOM 0 H ILE A 27 4.457 4.354 4.618 1.00 0.00 H new ATOM 0 HA ILE A 27 1.707 4.217 5.674 1.00 0.00 H new ATOM 0 HB ILE A 27 2.186 1.705 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.354 2.303 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.712 2.120 5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.665 1.333 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.717 2.677 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.123 3.015 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.080 0.021 4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.754 -0.157 5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.390 0.030 3.718 1.00 0.00 H new ATOM 319 N THR A 28 2.413 3.428 8.015 1.00 0.00 N ATOM 320 CA THR A 28 2.826 3.323 9.413 1.00 0.00 C ATOM 321 C THR A 28 2.048 2.218 10.134 1.00 0.00 C ATOM 322 O THR A 28 0.872 1.981 9.845 1.00 0.00 O ATOM 323 CB THR A 28 2.637 4.669 10.126 1.00 0.00 C ATOM 324 OG1 THR A 28 3.090 4.599 11.470 1.00 0.00 O ATOM 325 CG2 THR A 28 1.199 5.151 10.144 1.00 0.00 C ATOM 0 H THR A 28 1.418 3.267 7.857 1.00 0.00 H new ATOM 0 HA THR A 28 3.883 3.060 9.438 1.00 0.00 H new ATOM 0 HB THR A 28 3.228 5.380 9.549 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.961 5.468 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.142 6.107 10.664 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.843 5.273 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.577 4.420 10.660 1.00 0.00 H new ATOM 333 N GLY A 29 2.720 1.545 11.071 1.00 0.00 N ATOM 334 CA GLY A 29 2.095 0.467 11.824 1.00 0.00 C ATOM 335 C GLY A 29 2.863 -0.841 11.714 1.00 0.00 C ATOM 336 O GLY A 29 3.983 -0.866 11.200 1.00 0.00 O ATOM 0 H GLY A 29 3.691 1.730 11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.023 0.755 12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.077 0.319 11.463 1.00 0.00 H new ATOM 340 N GLY A 30 2.261 -1.930 12.199 1.00 0.00 N ATOM 341 CA GLY A 30 2.913 -3.230 12.142 1.00 0.00 C ATOM 342 C GLY A 30 2.047 -4.348 12.698 1.00 0.00 C ATOM 343 O GLY A 30 1.628 -4.296 13.856 1.00 0.00 O ATOM 0 H GLY A 30 1.336 -1.934 12.629 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.171 -3.457 11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.847 -3.188 12.702 1.00 0.00 H new ATOM 347 N LYS A 31 1.785 -5.365 11.871 1.00 0.00 N ATOM 348 CA LYS A 31 0.966 -6.509 12.286 1.00 0.00 C ATOM 349 C LYS A 31 1.552 -7.205 13.518 1.00 0.00 C ATOM 350 O LYS A 31 0.812 -7.768 14.325 1.00 0.00 O ATOM 351 CB LYS A 31 0.829 -7.520 11.142 1.00 0.00 C ATOM 352 CG LYS A 31 -0.580 -8.070 10.970 1.00 0.00 C ATOM 353 CD LYS A 31 -1.106 -8.696 12.255 1.00 0.00 C ATOM 354 CE LYS A 31 -2.529 -9.208 12.087 1.00 0.00 C ATOM 355 NZ LYS A 31 -2.578 -10.688 11.907 1.00 0.00 N ATOM 0 H LYS A 31 2.127 -5.420 10.912 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.019 -6.122 12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.139 -7.045 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.513 -8.350 11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.248 -7.267 10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.584 -8.815 10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.456 -9.518 12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.076 -7.959 13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.119 -8.930 12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.988 -8.724 11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.432 -11.065 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.602 -10.914 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.735 -11.118 12.338 1.00 0.00 H new ATOM 369 N GLU A 32 2.881 -7.162 13.663 1.00 0.00 N ATOM 370 CA GLU A 32 3.547 -7.786 14.808 1.00 0.00 C ATOM 371 C GLU A 32 3.014 -7.223 16.129 1.00 0.00 C ATOM 372 O GLU A 32 2.969 -7.928 17.139 1.00 0.00 O ATOM 373 CB GLU A 32 5.066 -7.588 14.726 1.00 0.00 C ATOM 374 CG GLU A 32 5.496 -6.132 14.568 1.00 0.00 C ATOM 375 CD GLU A 32 6.477 -5.920 13.426 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.349 -6.792 13.217 1.00 0.00 O ATOM 377 OE2 GLU A 32 6.377 -4.877 12.744 1.00 0.00 O ATOM 0 H GLU A 32 3.512 -6.704 13.005 1.00 0.00 H new ATOM 0 HA GLU A 32 3.330 -8.854 14.777 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.524 -7.995 15.627 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.452 -8.163 13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.613 -5.515 14.400 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.951 -5.791 15.498 1.00 0.00 H new ATOM 384 N HIS A 33 2.602 -5.955 16.110 1.00 0.00 N ATOM 385 CA HIS A 33 2.062 -5.302 17.300 1.00 0.00 C ATOM 386 C HIS A 33 0.604 -5.702 17.530 1.00 0.00 C ATOM 387 O HIS A 33 0.150 -5.785 18.671 1.00 0.00 O ATOM 388 CB HIS A 33 2.163 -3.781 17.166 1.00 0.00 C ATOM 389 CG HIS A 33 3.570 -3.277 17.102 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.344 -3.063 18.223 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.344 -2.941 16.043 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.531 -2.613 17.857 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.557 -2.532 16.540 1.00 0.00 N ATOM 0 H HIS A 33 2.633 -5.360 15.282 1.00 0.00 H new ATOM 0 HA HIS A 33 2.652 -5.627 18.157 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.633 -3.468 16.267 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.658 -3.316 18.012 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.060 -2.986 15.002 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.342 -2.355 18.522 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.350 -2.217 15.981 1.00 0.00 H new ATOM 402 N GLY A 34 -0.126 -5.942 16.439 1.00 0.00 N ATOM 403 CA GLY A 34 -1.524 -6.321 16.547 1.00 0.00 C ATOM 404 C GLY A 34 -2.415 -5.553 15.585 1.00 0.00 C ATOM 405 O GLY A 34 -3.441 -6.069 15.139 1.00 0.00 O ATOM 0 H GLY A 34 0.228 -5.880 15.484 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.623 -7.389 16.353 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.865 -6.149 17.568 1.00 0.00 H new ATOM 409 N VAL A 35 -2.022 -4.319 15.262 1.00 0.00 N ATOM 410 CA VAL A 35 -2.793 -3.482 14.346 1.00 0.00 C ATOM 411 C VAL A 35 -2.164 -3.463 12.952 1.00 0.00 C ATOM 412 O VAL A 35 -0.953 -3.278 12.810 1.00 0.00 O ATOM 413 CB VAL A 35 -2.914 -2.029 14.859 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.857 -1.957 16.051 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.547 -1.460 15.222 1.00 0.00 C ATOM 0 H VAL A 35 -1.175 -3.879 15.622 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.789 -3.921 14.291 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.329 -1.422 14.054 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.928 -0.926 16.397 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.845 -2.310 15.755 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.474 -2.584 16.856 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.662 -0.437 15.580 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.095 -2.069 16.005 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.905 -1.466 14.341 1.00 0.00 H new ATOM 425 N PRO A 36 -2.986 -3.655 11.901 1.00 0.00 N ATOM 426 CA PRO A 36 -2.512 -3.659 10.510 1.00 0.00 C ATOM 427 C PRO A 36 -1.882 -2.325 10.108 1.00 0.00 C ATOM 428 O PRO A 36 -2.164 -1.288 10.713 1.00 0.00 O ATOM 429 CB PRO A 36 -3.783 -3.923 9.690 1.00 0.00 C ATOM 430 CG PRO A 36 -4.755 -4.508 10.657 1.00 0.00 C ATOM 431 CD PRO A 36 -4.438 -3.885 11.984 1.00 0.00 C ATOM 0 HA PRO A 36 -1.731 -4.403 10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.168 -3.002 9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.585 -4.609 8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.781 -4.292 10.359 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.658 -5.593 10.701 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.986 -2.955 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.696 -4.545 12.812 1.00 0.00 H new ATOM 439 N ILE A 37 -1.028 -2.358 9.087 1.00 0.00 N ATOM 440 CA ILE A 37 -0.358 -1.151 8.610 1.00 0.00 C ATOM 441 C ILE A 37 -1.258 -0.374 7.647 1.00 0.00 C ATOM 442 O ILE A 37 -1.925 -0.965 6.796 1.00 0.00 O ATOM 443 CB ILE A 37 0.980 -1.480 7.906 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.834 -2.411 8.775 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.746 -0.201 7.592 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.663 -3.879 8.445 1.00 0.00 C ATOM 0 H ILE A 37 -0.784 -3.206 8.575 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.147 -0.537 9.486 1.00 0.00 H new ATOM 0 HB ILE A 37 0.756 -1.991 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.884 -2.141 8.658 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.579 -2.251 9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.684 -0.451 7.097 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.147 0.430 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.956 0.334 8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.298 -4.476 9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.621 -4.166 8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.946 -4.054 7.407 1.00 0.00 H new ATOM 458 N LEU A 38 -1.275 0.953 7.791 1.00 0.00 N ATOM 459 CA LEU A 38 -2.097 1.811 6.935 1.00 0.00 C ATOM 460 C LEU A 38 -1.319 3.051 6.478 1.00 0.00 C ATOM 461 O LEU A 38 -0.284 3.394 7.054 1.00 0.00 O ATOM 462 CB LEU A 38 -3.379 2.226 7.671 1.00 0.00 C ATOM 463 CG LEU A 38 -3.175 2.823 9.067 1.00 0.00 C ATOM 464 CD1 LEU A 38 -4.199 3.917 9.334 1.00 0.00 C ATOM 465 CD2 LEU A 38 -3.266 1.737 10.131 1.00 0.00 C ATOM 0 H LEU A 38 -0.730 1.456 8.491 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.368 1.240 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.910 2.954 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.025 1.353 7.759 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.179 3.265 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.039 4.330 10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.089 4.708 8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.203 3.498 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.119 2.180 11.116 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.248 1.267 10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.496 0.986 9.952 1.00 0.00 H new ATOM 477 N ILE A 39 -1.825 3.716 5.435 1.00 0.00 N ATOM 478 CA ILE A 39 -1.183 4.915 4.891 1.00 0.00 C ATOM 479 C ILE A 39 -1.616 6.168 5.650 1.00 0.00 C ATOM 480 O ILE A 39 -2.802 6.500 5.692 1.00 0.00 O ATOM 481 CB ILE A 39 -1.504 5.106 3.389 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.296 3.797 2.619 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.642 6.214 2.795 1.00 0.00 C ATOM 484 CD1 ILE A 39 -1.697 3.878 1.161 1.00 0.00 C ATOM 0 H ILE A 39 -2.680 3.443 4.950 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.109 4.770 5.009 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.551 5.395 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.246 3.511 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.871 3.007 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.881 6.334 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.838 7.149 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.411 5.952 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.522 2.915 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.754 4.132 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.104 4.645 0.663 1.00 0.00 H new ATOM 496 N SER A 40 -0.645 6.863 6.243 1.00 0.00 N ATOM 497 CA SER A 40 -0.923 8.083 6.997 1.00 0.00 C ATOM 498 C SER A 40 -0.429 9.330 6.256 1.00 0.00 C ATOM 499 O SER A 40 -1.038 10.396 6.357 1.00 0.00 O ATOM 500 CB SER A 40 -0.276 8.006 8.382 1.00 0.00 C ATOM 501 OG SER A 40 -0.943 8.849 9.308 1.00 0.00 O ATOM 0 H SER A 40 0.340 6.601 6.215 1.00 0.00 H new ATOM 0 HA SER A 40 -2.004 8.166 7.107 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.300 6.977 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.773 8.295 8.313 1.00 0.00 H new ATOM 0 HG SER A 40 -0.510 8.779 10.184 1.00 0.00 H new ATOM 507 N GLU A 41 0.674 9.197 5.514 1.00 0.00 N ATOM 508 CA GLU A 41 1.232 10.323 4.766 1.00 0.00 C ATOM 509 C GLU A 41 1.213 10.049 3.262 1.00 0.00 C ATOM 510 O GLU A 41 1.402 8.912 2.828 1.00 0.00 O ATOM 511 CB GLU A 41 2.665 10.613 5.227 1.00 0.00 C ATOM 512 CG GLU A 41 2.905 12.068 5.606 1.00 0.00 C ATOM 513 CD GLU A 41 2.670 12.337 7.080 1.00 0.00 C ATOM 514 OE1 GLU A 41 1.539 12.098 7.557 1.00 0.00 O ATOM 515 OE2 GLU A 41 3.617 12.786 7.760 1.00 0.00 O ATOM 0 H GLU A 41 1.195 8.325 5.416 1.00 0.00 H new ATOM 0 HA GLU A 41 0.610 11.196 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.896 9.981 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.356 10.336 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.929 12.341 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.247 12.706 5.015 1.00 0.00 H new ATOM 522 N ILE A 42 0.985 11.102 2.475 1.00 0.00 N ATOM 523 CA ILE A 42 0.944 10.983 1.018 1.00 0.00 C ATOM 524 C ILE A 42 1.912 11.972 0.369 1.00 0.00 C ATOM 525 O ILE A 42 1.801 13.183 0.573 1.00 0.00 O ATOM 526 CB ILE A 42 -0.479 11.235 0.464 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.511 10.375 1.205 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.528 10.957 -1.034 1.00 0.00 C ATOM 529 CD1 ILE A 42 -1.376 8.889 0.942 1.00 0.00 C ATOM 0 H ILE A 42 0.826 12.047 2.823 1.00 0.00 H new ATOM 0 HA ILE A 42 1.239 9.963 0.773 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.727 12.284 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.417 10.554 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.512 10.696 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.536 11.140 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.173 11.614 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.255 9.918 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.141 8.350 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.501 8.695 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.389 8.552 1.259 1.00 0.00 H new ATOM 541 N HIS A 43 2.859 11.454 -0.414 1.00 0.00 N ATOM 542 CA HIS A 43 3.842 12.301 -1.087 1.00 0.00 C ATOM 543 C HIS A 43 3.217 13.013 -2.288 1.00 0.00 C ATOM 544 O HIS A 43 2.715 12.366 -3.208 1.00 0.00 O ATOM 545 CB HIS A 43 5.047 11.473 -1.541 1.00 0.00 C ATOM 546 CG HIS A 43 6.195 11.503 -0.577 1.00 0.00 C ATOM 547 ND1 HIS A 43 7.237 12.401 -0.676 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.463 10.738 0.508 1.00 0.00 C ATOM 549 CE1 HIS A 43 8.096 12.186 0.305 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.649 11.183 1.037 1.00 0.00 N ATOM 0 H HIS A 43 2.965 10.456 -0.597 1.00 0.00 H new ATOM 0 HA HIS A 43 4.180 13.053 -0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.733 10.439 -1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.387 11.842 -2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.857 9.929 0.887 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.008 12.737 0.478 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.110 10.800 1.862 1.00 0.00 H new ATOM 559 N PRO A 44 3.240 14.362 -2.292 1.00 0.00 N ATOM 560 CA PRO A 44 2.673 15.164 -3.385 1.00 0.00 C ATOM 561 C PRO A 44 3.498 15.073 -4.667 1.00 0.00 C ATOM 562 O PRO A 44 4.697 14.786 -4.626 1.00 0.00 O ATOM 563 CB PRO A 44 2.701 16.591 -2.833 1.00 0.00 C ATOM 564 CG PRO A 44 3.803 16.590 -1.831 1.00 0.00 C ATOM 565 CD PRO A 44 3.820 15.212 -1.230 1.00 0.00 C ATOM 0 HA PRO A 44 1.677 14.819 -3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.886 17.318 -3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.749 16.856 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.758 16.821 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.634 17.347 -1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.832 14.899 -0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.231 15.167 -0.314 1.00 0.00 H new ATOM 573 N GLY A 45 2.846 15.320 -5.804 1.00 0.00 N ATOM 574 CA GLY A 45 3.529 15.260 -7.088 1.00 0.00 C ATOM 575 C GLY A 45 4.034 13.864 -7.409 1.00 0.00 C ATOM 576 O GLY A 45 5.121 13.702 -7.966 1.00 0.00 O ATOM 0 H GLY A 45 1.856 15.561 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.849 15.587 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.369 15.955 -7.083 1.00 0.00 H new ATOM 580 N GLN A 46 3.239 12.857 -7.053 1.00 0.00 N ATOM 581 CA GLN A 46 3.594 11.463 -7.295 1.00 0.00 C ATOM 582 C GLN A 46 2.395 10.702 -7.867 1.00 0.00 C ATOM 583 O GLN A 46 1.304 11.262 -7.985 1.00 0.00 O ATOM 584 CB GLN A 46 4.067 10.814 -5.989 1.00 0.00 C ATOM 585 CG GLN A 46 5.513 10.346 -6.031 1.00 0.00 C ATOM 586 CD GLN A 46 6.441 11.235 -5.225 1.00 0.00 C ATOM 587 OE1 GLN A 46 6.907 10.853 -4.151 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.714 12.430 -5.739 1.00 0.00 N ATOM 0 H GLN A 46 2.338 12.984 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 46 4.405 11.423 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.949 11.528 -5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.425 9.963 -5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.572 9.327 -5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.852 10.319 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.306 12.706 -6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.331 13.071 -5.240 1.00 0.00 H new ATOM 597 N PRO A 47 2.576 9.412 -8.226 1.00 0.00 N ATOM 598 CA PRO A 47 1.494 8.583 -8.779 1.00 0.00 C ATOM 599 C PRO A 47 0.230 8.609 -7.919 1.00 0.00 C ATOM 600 O PRO A 47 -0.878 8.463 -8.436 1.00 0.00 O ATOM 601 CB PRO A 47 2.097 7.177 -8.794 1.00 0.00 C ATOM 602 CG PRO A 47 3.563 7.401 -8.899 1.00 0.00 C ATOM 603 CD PRO A 47 3.841 8.657 -8.120 1.00 0.00 C ATOM 0 HA PRO A 47 1.174 8.940 -9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.844 6.627 -7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.723 6.594 -9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.118 6.556 -8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.869 7.510 -9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.093 8.439 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.678 9.214 -8.541 1.00 0.00 H new ATOM 611 N ALA A 48 0.402 8.800 -6.607 1.00 0.00 N ATOM 612 CA ALA A 48 -0.729 8.850 -5.683 1.00 0.00 C ATOM 613 C ALA A 48 -1.708 9.957 -6.075 1.00 0.00 C ATOM 614 O ALA A 48 -2.920 9.737 -6.118 1.00 0.00 O ATOM 615 CB ALA A 48 -0.241 9.057 -4.256 1.00 0.00 C ATOM 0 H ALA A 48 1.313 8.922 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.254 7.896 -5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.096 9.092 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.413 8.232 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.310 9.995 -4.192 1.00 0.00 H new ATOM 621 N ASP A 49 -1.173 11.142 -6.371 1.00 0.00 N ATOM 622 CA ASP A 49 -1.998 12.281 -6.771 1.00 0.00 C ATOM 623 C ASP A 49 -2.603 12.052 -8.155 1.00 0.00 C ATOM 624 O ASP A 49 -3.775 12.346 -8.385 1.00 0.00 O ATOM 625 CB ASP A 49 -1.168 13.569 -6.771 1.00 0.00 C ATOM 626 CG ASP A 49 -1.159 14.254 -5.417 1.00 0.00 C ATOM 627 OD1 ASP A 49 -0.463 13.759 -4.506 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.843 15.289 -5.272 1.00 0.00 O ATOM 0 H ASP A 49 -0.172 11.337 -6.341 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.808 12.382 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.144 13.338 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.567 14.254 -7.519 1.00 0.00 H new ATOM 633 N ARG A 50 -1.793 11.519 -9.072 1.00 0.00 N ATOM 634 CA ARG A 50 -2.248 11.243 -10.434 1.00 0.00 C ATOM 635 C ARG A 50 -3.424 10.263 -10.443 1.00 0.00 C ATOM 636 O ARG A 50 -4.303 10.351 -11.300 1.00 0.00 O ATOM 637 CB ARG A 50 -1.103 10.676 -11.275 1.00 0.00 C ATOM 638 CG ARG A 50 -0.037 11.702 -11.631 1.00 0.00 C ATOM 639 CD ARG A 50 0.428 11.552 -13.073 1.00 0.00 C ATOM 640 NE ARG A 50 0.899 10.197 -13.367 1.00 0.00 N ATOM 641 CZ ARG A 50 1.015 9.698 -14.601 1.00 0.00 C ATOM 642 NH1 ARG A 50 0.717 10.444 -15.661 1.00 0.00 N ATOM 643 NH2 ARG A 50 1.435 8.450 -14.779 1.00 0.00 N ATOM 0 H ARG A 50 -0.820 11.270 -8.895 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.583 12.187 -10.865 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.637 9.855 -10.731 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.512 10.257 -12.194 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.433 12.706 -11.479 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.815 11.590 -10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.393 11.803 -13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.230 12.264 -13.270 1.00 0.00 H new ATOM 0 HE ARG A 50 1.154 9.598 -12.582 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.397 11.404 -15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.808 10.056 -16.600 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.670 7.871 -13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.523 8.071 -15.722 1.00 0.00 H new ATOM 657 N CYS A 51 -3.436 9.327 -9.489 1.00 0.00 N ATOM 658 CA CYS A 51 -4.507 8.338 -9.403 1.00 0.00 C ATOM 659 C CYS A 51 -5.725 8.892 -8.660 1.00 0.00 C ATOM 660 O CYS A 51 -6.854 8.464 -8.906 1.00 0.00 O ATOM 661 CB CYS A 51 -4.005 7.074 -8.701 1.00 0.00 C ATOM 662 SG CYS A 51 -4.894 5.570 -9.165 1.00 0.00 S ATOM 0 H CYS A 51 -2.718 9.236 -8.770 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.812 8.093 -10.420 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.947 6.942 -8.927 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.086 7.213 -7.623 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.396 4.556 -8.522 1.00 0.00 H new ATOM 668 N GLY A 52 -5.493 9.838 -7.746 1.00 0.00 N ATOM 669 CA GLY A 52 -6.584 10.422 -6.981 1.00 0.00 C ATOM 670 C GLY A 52 -7.292 9.413 -6.083 1.00 0.00 C ATOM 671 O GLY A 52 -8.405 9.667 -5.619 1.00 0.00 O ATOM 0 H GLY A 52 -4.569 10.209 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.195 11.235 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.309 10.859 -7.668 1.00 0.00 H new ATOM 675 N GLY A 53 -6.647 8.265 -5.841 1.00 0.00 N ATOM 676 CA GLY A 53 -7.236 7.230 -5.002 1.00 0.00 C ATOM 677 C GLY A 53 -6.475 7.005 -3.706 1.00 0.00 C ATOM 678 O GLY A 53 -7.067 6.613 -2.699 1.00 0.00 O ATOM 0 H GLY A 53 -5.725 8.036 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.265 7.502 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.273 6.295 -5.561 1.00 0.00 H new ATOM 682 N LEU A 54 -5.162 7.249 -3.725 1.00 0.00 N ATOM 683 CA LEU A 54 -4.337 7.065 -2.533 1.00 0.00 C ATOM 684 C LEU A 54 -4.548 8.214 -1.545 1.00 0.00 C ATOM 685 O LEU A 54 -3.677 9.070 -1.366 1.00 0.00 O ATOM 686 CB LEU A 54 -2.857 6.946 -2.917 1.00 0.00 C ATOM 687 CG LEU A 54 -2.434 5.573 -3.449 1.00 0.00 C ATOM 688 CD1 LEU A 54 -0.980 5.595 -3.898 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.652 4.497 -2.392 1.00 0.00 C ATOM 0 H LEU A 54 -4.652 7.572 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.641 6.139 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.632 7.697 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.250 7.183 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.055 5.336 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.700 4.610 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.855 6.333 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.342 5.857 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.346 3.529 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.059 4.730 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.707 4.461 -2.122 1.00 0.00 H new ATOM 701 N HIS A 55 -5.721 8.220 -0.912 1.00 0.00 N ATOM 702 CA HIS A 55 -6.080 9.251 0.061 1.00 0.00 C ATOM 703 C HIS A 55 -5.529 8.915 1.445 1.00 0.00 C ATOM 704 O HIS A 55 -5.266 7.751 1.753 1.00 0.00 O ATOM 705 CB HIS A 55 -7.608 9.410 0.132 1.00 0.00 C ATOM 706 CG HIS A 55 -8.346 8.121 0.370 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.155 7.336 1.490 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.271 7.475 -0.383 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.926 6.267 1.414 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.612 6.327 0.289 1.00 0.00 N ATOM 0 H HIS A 55 -6.444 7.516 -1.058 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.637 10.191 -0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.854 10.110 0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.961 9.852 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.666 7.802 -1.334 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.985 5.477 2.148 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.287 5.632 -0.030 1.00 0.00 H new ATOM 719 N VAL A 56 -5.370 9.940 2.282 1.00 0.00 N ATOM 720 CA VAL A 56 -4.865 9.745 3.639 1.00 0.00 C ATOM 721 C VAL A 56 -5.852 8.919 4.462 1.00 0.00 C ATOM 722 O VAL A 56 -7.060 9.163 4.423 1.00 0.00 O ATOM 723 CB VAL A 56 -4.609 11.086 4.364 1.00 0.00 C ATOM 724 CG1 VAL A 56 -3.921 10.849 5.701 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.786 12.027 3.497 1.00 0.00 C ATOM 0 H VAL A 56 -5.583 10.909 2.045 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.916 9.216 3.548 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.574 11.558 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.749 11.805 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.554 10.223 6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.966 10.349 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.621 12.963 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.826 11.565 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.321 12.229 2.569 1.00 0.00 H new ATOM 735 N GLY A 57 -5.332 7.941 5.202 1.00 0.00 N ATOM 736 CA GLY A 57 -6.182 7.092 6.020 1.00 0.00 C ATOM 737 C GLY A 57 -6.663 5.858 5.275 1.00 0.00 C ATOM 738 O GLY A 57 -7.849 5.525 5.316 1.00 0.00 O ATOM 0 H GLY A 57 -4.337 7.722 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.633 6.784 6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.044 7.666 6.360 1.00 0.00 H new ATOM 742 N ASP A 58 -5.736 5.178 4.599 1.00 0.00 N ATOM 743 CA ASP A 58 -6.059 3.970 3.846 1.00 0.00 C ATOM 744 C ASP A 58 -5.458 2.743 4.528 1.00 0.00 C ATOM 745 O ASP A 58 -4.249 2.691 4.765 1.00 0.00 O ATOM 746 CB ASP A 58 -5.536 4.077 2.407 1.00 0.00 C ATOM 747 CG ASP A 58 -6.647 4.061 1.371 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.661 3.362 1.592 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.500 4.747 0.337 1.00 0.00 O ATOM 0 H ASP A 58 -4.753 5.446 4.559 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.143 3.864 3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.962 4.997 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.852 3.251 2.212 1.00 0.00 H new ATOM 754 N ALA A 59 -6.301 1.760 4.844 1.00 0.00 N ATOM 755 CA ALA A 59 -5.838 0.541 5.504 1.00 0.00 C ATOM 756 C ALA A 59 -5.472 -0.535 4.483 1.00 0.00 C ATOM 757 O ALA A 59 -6.306 -0.946 3.676 1.00 0.00 O ATOM 758 CB ALA A 59 -6.898 0.026 6.467 1.00 0.00 C ATOM 0 H ALA A 59 -7.303 1.784 4.655 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.939 0.783 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.539 -0.882 6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.102 0.784 7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.813 -0.193 5.917 1.00 0.00 H new ATOM 764 N ILE A 60 -4.216 -0.982 4.527 1.00 0.00 N ATOM 765 CA ILE A 60 -3.725 -2.007 3.605 1.00 0.00 C ATOM 766 C ILE A 60 -4.329 -3.375 3.913 1.00 0.00 C ATOM 767 O ILE A 60 -4.508 -3.740 5.077 1.00 0.00 O ATOM 768 CB ILE A 60 -2.183 -2.128 3.653 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.522 -0.754 3.494 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.693 -3.083 2.572 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.223 -0.616 4.258 1.00 0.00 C ATOM 0 H ILE A 60 -3.519 -0.649 5.193 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.032 -1.691 2.608 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.902 -2.529 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.333 -0.571 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.216 0.015 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.607 -3.158 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.132 -4.068 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.990 -2.707 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.188 0.381 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.409 -0.767 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.488 -1.362 3.904 1.00 0.00 H new ATOM 783 N LEU A 61 -4.628 -4.133 2.857 1.00 0.00 N ATOM 784 CA LEU A 61 -5.199 -5.469 3.000 1.00 0.00 C ATOM 785 C LEU A 61 -4.384 -6.500 2.215 1.00 0.00 C ATOM 786 O LEU A 61 -3.950 -7.510 2.774 1.00 0.00 O ATOM 787 CB LEU A 61 -6.658 -5.483 2.529 1.00 0.00 C ATOM 788 CG LEU A 61 -7.657 -4.800 3.470 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.057 -4.828 2.873 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.647 -5.468 4.839 1.00 0.00 C ATOM 0 H LEU A 61 -4.483 -3.841 1.891 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.167 -5.736 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.712 -4.998 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.967 -6.519 2.388 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.356 -3.760 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.753 -4.339 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.056 -4.303 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.366 -5.862 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.363 -4.969 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.922 -6.517 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.649 -5.396 5.272 1.00 0.00 H new ATOM 802 N ALA A 62 -4.177 -6.243 0.919 1.00 0.00 N ATOM 803 CA ALA A 62 -3.413 -7.155 0.067 1.00 0.00 C ATOM 804 C ALA A 62 -2.722 -6.416 -1.081 1.00 0.00 C ATOM 805 O ALA A 62 -3.123 -5.311 -1.455 1.00 0.00 O ATOM 806 CB ALA A 62 -4.319 -8.250 -0.479 1.00 0.00 C ATOM 0 H ALA A 62 -4.527 -5.413 0.440 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.635 -7.607 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.738 -8.921 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.749 -8.813 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.119 -7.801 -1.067 1.00 0.00 H new ATOM 812 N VAL A 63 -1.679 -7.040 -1.637 1.00 0.00 N ATOM 813 CA VAL A 63 -0.926 -6.456 -2.746 1.00 0.00 C ATOM 814 C VAL A 63 -0.692 -7.491 -3.845 1.00 0.00 C ATOM 815 O VAL A 63 -0.036 -8.507 -3.615 1.00 0.00 O ATOM 816 CB VAL A 63 0.440 -5.901 -2.282 1.00 0.00 C ATOM 817 CG1 VAL A 63 1.091 -5.075 -3.384 1.00 0.00 C ATOM 818 CG2 VAL A 63 0.282 -5.078 -1.010 1.00 0.00 C ATOM 0 H VAL A 63 -1.338 -7.952 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.525 -5.632 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 63 1.094 -6.745 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.051 -4.695 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.246 -5.700 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.442 -4.239 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.255 -4.697 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.392 -4.242 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.130 -5.705 -0.220 1.00 0.00 H new ATOM 828 N ASN A 64 -1.238 -7.226 -5.035 1.00 0.00 N ATOM 829 CA ASN A 64 -1.099 -8.134 -6.177 1.00 0.00 C ATOM 830 C ASN A 64 -1.628 -9.532 -5.834 1.00 0.00 C ATOM 831 O ASN A 64 -1.067 -10.544 -6.259 1.00 0.00 O ATOM 832 CB ASN A 64 0.368 -8.210 -6.626 1.00 0.00 C ATOM 833 CG ASN A 64 0.520 -8.051 -8.130 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.175 -8.950 -8.897 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.041 -6.905 -8.561 1.00 0.00 N ATOM 0 H ASN A 64 -1.783 -6.387 -5.233 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.695 -7.739 -6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.941 -7.432 -6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.790 -9.167 -6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.167 -6.746 -9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.314 -6.185 -7.892 1.00 0.00 H new ATOM 842 N GLY A 65 -2.717 -9.577 -5.061 1.00 0.00 N ATOM 843 CA GLY A 65 -3.308 -10.848 -4.669 1.00 0.00 C ATOM 844 C GLY A 65 -2.606 -11.504 -3.482 1.00 0.00 C ATOM 845 O GLY A 65 -2.933 -12.635 -3.118 1.00 0.00 O ATOM 0 H GLY A 65 -3.199 -8.754 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.357 -10.690 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.282 -11.530 -5.519 1.00 0.00 H new ATOM 849 N VAL A 66 -1.643 -10.802 -2.875 1.00 0.00 N ATOM 850 CA VAL A 66 -0.909 -11.335 -1.729 1.00 0.00 C ATOM 851 C VAL A 66 -1.494 -10.809 -0.422 1.00 0.00 C ATOM 852 O VAL A 66 -1.523 -9.599 -0.190 1.00 0.00 O ATOM 853 CB VAL A 66 0.593 -10.975 -1.797 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.366 -11.671 -0.684 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.170 -11.335 -3.159 1.00 0.00 C ATOM 0 H VAL A 66 -1.356 -9.865 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.008 -12.420 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 66 0.692 -9.899 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.421 -11.403 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.973 -11.357 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.258 -12.751 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.228 -11.074 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.056 -12.405 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.640 -10.784 -3.936 1.00 0.00 H new ATOM 865 N ASN A 67 -1.959 -11.726 0.428 1.00 0.00 N ATOM 866 CA ASN A 67 -2.548 -11.355 1.713 1.00 0.00 C ATOM 867 C ASN A 67 -1.514 -10.684 2.614 1.00 0.00 C ATOM 868 O ASN A 67 -0.437 -11.232 2.852 1.00 0.00 O ATOM 869 CB ASN A 67 -3.128 -12.590 2.414 1.00 0.00 C ATOM 870 CG ASN A 67 -3.869 -12.238 3.693 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.959 -11.668 3.653 1.00 0.00 O ATOM 872 ND2 ASN A 67 -3.281 -12.575 4.836 1.00 0.00 N ATOM 0 H ASN A 67 -1.939 -12.730 0.249 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.353 -10.645 1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.807 -13.104 1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.321 -13.285 2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.734 -12.362 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.377 -13.047 4.825 1.00 0.00 H new ATOM 879 N LEU A 68 -1.852 -9.497 3.116 1.00 0.00 N ATOM 880 CA LEU A 68 -0.955 -8.750 3.996 1.00 0.00 C ATOM 881 C LEU A 68 -1.516 -8.645 5.421 1.00 0.00 C ATOM 882 O LEU A 68 -0.920 -7.986 6.275 1.00 0.00 O ATOM 883 CB LEU A 68 -0.697 -7.349 3.430 1.00 0.00 C ATOM 884 CG LEU A 68 0.767 -7.047 3.091 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.109 -7.541 1.691 1.00 0.00 C ATOM 886 CD2 LEU A 68 1.047 -5.556 3.216 1.00 0.00 C ATOM 0 H LEU A 68 -2.740 -9.032 2.928 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.014 -9.297 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.297 -7.221 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.047 -6.612 4.153 1.00 0.00 H new ATOM 0 HG LEU A 68 1.399 -7.577 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.153 -7.317 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.950 -8.618 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.469 -7.042 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.091 -5.360 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.404 -5.006 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.847 -5.233 4.237 1.00 0.00 H new ATOM 898 N ARG A 69 -2.655 -9.298 5.677 1.00 0.00 N ATOM 899 CA ARG A 69 -3.278 -9.272 7.001 1.00 0.00 C ATOM 900 C ARG A 69 -2.435 -10.040 8.023 1.00 0.00 C ATOM 901 O ARG A 69 -2.374 -9.661 9.191 1.00 0.00 O ATOM 902 CB ARG A 69 -4.692 -9.861 6.940 1.00 0.00 C ATOM 903 CG ARG A 69 -5.543 -9.550 8.163 1.00 0.00 C ATOM 904 CD ARG A 69 -6.803 -10.403 8.194 1.00 0.00 C ATOM 905 NE ARG A 69 -7.320 -10.582 9.553 1.00 0.00 N ATOM 906 CZ ARG A 69 -8.182 -11.542 9.904 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.635 -12.408 9.001 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.595 -11.633 11.164 1.00 0.00 N ATOM 0 H ARG A 69 -3.162 -9.850 4.985 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.340 -8.232 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.196 -9.479 6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.620 -10.943 6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.961 -9.725 9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.816 -8.495 8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.570 -9.937 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.589 -11.379 7.757 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.003 -9.935 10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.325 -12.343 8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.292 -13.137 9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.254 -10.971 11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.253 -12.365 11.434 1.00 0.00 H new ATOM 922 N ASP A 70 -1.791 -11.119 7.577 1.00 0.00 N ATOM 923 CA ASP A 70 -0.950 -11.933 8.455 1.00 0.00 C ATOM 924 C ASP A 70 0.545 -11.688 8.203 1.00 0.00 C ATOM 925 O ASP A 70 1.392 -12.439 8.690 1.00 0.00 O ATOM 926 CB ASP A 70 -1.288 -13.417 8.280 1.00 0.00 C ATOM 927 CG ASP A 70 -2.396 -13.869 9.215 1.00 0.00 C ATOM 928 OD1 ASP A 70 -3.409 -13.144 9.333 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.251 -14.945 9.831 1.00 0.00 O ATOM 0 H ASP A 70 -1.836 -11.450 6.613 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.158 -11.637 9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.589 -13.600 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.395 -14.015 8.462 1.00 0.00 H new ATOM 934 N THR A 71 0.864 -10.637 7.440 1.00 0.00 N ATOM 935 CA THR A 71 2.253 -10.301 7.128 1.00 0.00 C ATOM 936 C THR A 71 2.748 -9.150 8.009 1.00 0.00 C ATOM 937 O THR A 71 1.950 -8.362 8.520 1.00 0.00 O ATOM 938 CB THR A 71 2.378 -9.930 5.646 1.00 0.00 C ATOM 939 OG1 THR A 71 1.734 -10.895 4.827 1.00 0.00 O ATOM 940 CG2 THR A 71 3.810 -9.814 5.173 1.00 0.00 C ATOM 0 H THR A 71 0.177 -10.005 7.028 1.00 0.00 H new ATOM 0 HA THR A 71 2.875 -11.173 7.332 1.00 0.00 H new ATOM 0 HB THR A 71 1.902 -8.953 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.824 -10.638 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.824 -9.549 4.116 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.321 -9.041 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.318 -10.768 5.315 1.00 0.00 H new ATOM 948 N LYS A 72 4.069 -9.062 8.189 1.00 0.00 N ATOM 949 CA LYS A 72 4.673 -8.012 9.015 1.00 0.00 C ATOM 950 C LYS A 72 5.063 -6.793 8.177 1.00 0.00 C ATOM 951 O LYS A 72 5.191 -6.884 6.956 1.00 0.00 O ATOM 952 CB LYS A 72 5.908 -8.555 9.747 1.00 0.00 C ATOM 953 CG LYS A 72 5.636 -8.968 11.186 1.00 0.00 C ATOM 954 CD LYS A 72 4.493 -9.967 11.276 1.00 0.00 C ATOM 955 CE LYS A 72 4.441 -10.637 12.640 1.00 0.00 C ATOM 956 NZ LYS A 72 3.191 -11.427 12.826 1.00 0.00 N ATOM 0 H LYS A 72 4.742 -9.706 7.773 1.00 0.00 H new ATOM 0 HA LYS A 72 3.927 -7.698 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.295 -9.414 9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.688 -7.794 9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.537 -9.406 11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.396 -8.086 11.779 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.548 -9.458 11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.610 -10.725 10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.305 -11.292 12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.510 -9.878 13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.195 -11.867 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.367 -10.798 12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.137 -12.168 12.098 1.00 0.00 H new ATOM 970 N HIS A 73 5.253 -5.652 8.848 1.00 0.00 N ATOM 971 CA HIS A 73 5.633 -4.408 8.173 1.00 0.00 C ATOM 972 C HIS A 73 6.893 -4.604 7.328 1.00 0.00 C ATOM 973 O HIS A 73 6.915 -4.253 6.148 1.00 0.00 O ATOM 974 CB HIS A 73 5.857 -3.289 9.198 1.00 0.00 C ATOM 975 CG HIS A 73 6.114 -1.946 8.583 1.00 0.00 C ATOM 976 ND1 HIS A 73 7.302 -1.262 8.739 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.328 -1.159 7.810 1.00 0.00 C ATOM 978 CE1 HIS A 73 7.234 -0.113 8.090 1.00 0.00 C ATOM 979 NE2 HIS A 73 6.048 -0.027 7.518 1.00 0.00 N ATOM 0 H HIS A 73 5.150 -5.565 9.859 1.00 0.00 H new ATOM 0 HA HIS A 73 4.816 -4.123 7.510 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.982 -3.221 9.844 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.702 -3.555 9.833 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.322 -1.381 7.484 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.016 0.630 8.037 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.719 0.754 6.951 1.00 0.00 H new ATOM 988 N LYS A 74 7.936 -5.172 7.937 1.00 0.00 N ATOM 989 CA LYS A 74 9.194 -5.419 7.232 1.00 0.00 C ATOM 990 C LYS A 74 8.978 -6.368 6.053 1.00 0.00 C ATOM 991 O LYS A 74 9.558 -6.182 4.983 1.00 0.00 O ATOM 992 CB LYS A 74 10.240 -6.002 8.188 1.00 0.00 C ATOM 993 CG LYS A 74 11.651 -5.494 7.931 1.00 0.00 C ATOM 994 CD LYS A 74 12.699 -6.534 8.301 1.00 0.00 C ATOM 995 CE LYS A 74 13.392 -7.095 7.067 1.00 0.00 C ATOM 996 NZ LYS A 74 12.603 -8.185 6.424 1.00 0.00 N ATOM 0 H LYS A 74 7.934 -5.468 8.913 1.00 0.00 H new ATOM 0 HA LYS A 74 9.559 -4.466 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.957 -5.761 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.233 -7.089 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.757 -5.229 6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.821 -4.585 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.440 -6.085 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.227 -7.346 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.554 -6.293 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.374 -7.476 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.113 -8.536 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.470 -8.963 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.675 -7.817 6.133 1.00 0.00 H new ATOM 1010 N GLU A 75 8.134 -7.380 6.257 1.00 0.00 N ATOM 1011 CA GLU A 75 7.830 -8.354 5.212 1.00 0.00 C ATOM 1012 C GLU A 75 7.115 -7.692 4.036 1.00 0.00 C ATOM 1013 O GLU A 75 7.372 -8.023 2.879 1.00 0.00 O ATOM 1014 CB GLU A 75 6.959 -9.481 5.770 1.00 0.00 C ATOM 1015 CG GLU A 75 7.724 -10.482 6.622 1.00 0.00 C ATOM 1016 CD GLU A 75 8.062 -11.750 5.862 1.00 0.00 C ATOM 1017 OE1 GLU A 75 7.125 -12.497 5.506 1.00 0.00 O ATOM 1018 OE2 GLU A 75 9.263 -11.994 5.620 1.00 0.00 O ATOM 0 H GLU A 75 7.649 -7.545 7.139 1.00 0.00 H new ATOM 0 HA GLU A 75 8.774 -8.768 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.158 -9.047 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.488 -10.009 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.644 -10.021 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.131 -10.736 7.500 1.00 0.00 H new ATOM 1025 N ALA A 76 6.218 -6.755 4.343 1.00 0.00 N ATOM 1026 CA ALA A 76 5.461 -6.049 3.312 1.00 0.00 C ATOM 1027 C ALA A 76 6.380 -5.224 2.414 1.00 0.00 C ATOM 1028 O ALA A 76 6.109 -5.070 1.223 1.00 0.00 O ATOM 1029 CB ALA A 76 4.407 -5.154 3.946 1.00 0.00 C ATOM 0 H ALA A 76 5.999 -6.468 5.297 1.00 0.00 H new ATOM 0 HA ALA A 76 4.966 -6.797 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.852 -4.635 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.721 -5.762 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.892 -4.423 4.593 1.00 0.00 H new ATOM 1035 N VAL A 77 7.467 -4.702 2.984 1.00 0.00 N ATOM 1036 CA VAL A 77 8.421 -3.901 2.218 1.00 0.00 C ATOM 1037 C VAL A 77 9.045 -4.734 1.100 1.00 0.00 C ATOM 1038 O VAL A 77 9.210 -4.257 -0.025 1.00 0.00 O ATOM 1039 CB VAL A 77 9.541 -3.326 3.114 1.00 0.00 C ATOM 1040 CG1 VAL A 77 10.452 -2.404 2.312 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.946 -2.591 4.308 1.00 0.00 C ATOM 0 H VAL A 77 7.707 -4.819 3.968 1.00 0.00 H new ATOM 0 HA VAL A 77 7.865 -3.068 1.788 1.00 0.00 H new ATOM 0 HB VAL A 77 10.141 -4.156 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.234 -2.010 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.907 -2.963 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.868 -1.579 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.750 -2.193 4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.320 -1.772 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.342 -3.282 4.897 1.00 0.00 H new ATOM 1051 N THR A 78 9.380 -5.983 1.414 1.00 0.00 N ATOM 1052 CA THR A 78 9.971 -6.886 0.432 1.00 0.00 C ATOM 1053 C THR A 78 8.944 -7.287 -0.628 1.00 0.00 C ATOM 1054 O THR A 78 9.262 -7.343 -1.816 1.00 0.00 O ATOM 1055 CB THR A 78 10.538 -8.137 1.113 1.00 0.00 C ATOM 1056 OG1 THR A 78 10.837 -7.883 2.477 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.802 -8.649 0.457 1.00 0.00 C ATOM 0 H THR A 78 9.252 -6.392 2.340 1.00 0.00 H new ATOM 0 HA THR A 78 10.787 -6.355 -0.058 1.00 0.00 H new ATOM 0 HB THR A 78 9.759 -8.893 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.196 -8.696 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.153 -9.535 0.986 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.595 -8.904 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.570 -7.876 0.494 1.00 0.00 H new ATOM 1065 N ILE A 79 7.713 -7.569 -0.189 1.00 0.00 N ATOM 1066 CA ILE A 79 6.643 -7.972 -1.105 1.00 0.00 C ATOM 1067 C ILE A 79 6.312 -6.866 -2.107 1.00 0.00 C ATOM 1068 O ILE A 79 6.228 -7.122 -3.309 1.00 0.00 O ATOM 1069 CB ILE A 79 5.350 -8.371 -0.355 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.641 -9.441 0.703 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.301 -8.873 -1.342 1.00 0.00 C ATOM 1072 CD1 ILE A 79 4.722 -9.369 1.904 1.00 0.00 C ATOM 0 H ILE A 79 7.434 -7.526 0.791 1.00 0.00 H new ATOM 0 HA ILE A 79 7.022 -8.843 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 79 4.962 -7.488 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.552 -10.426 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.673 -9.338 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.396 -9.151 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.069 -8.085 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.688 -9.743 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.985 -10.155 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.828 -8.397 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.690 -9.503 1.581 1.00 0.00 H new ATOM 1084 N LEU A 80 6.122 -5.638 -1.614 1.00 0.00 N ATOM 1085 CA LEU A 80 5.798 -4.511 -2.492 1.00 0.00 C ATOM 1086 C LEU A 80 6.929 -4.246 -3.483 1.00 0.00 C ATOM 1087 O LEU A 80 6.680 -3.872 -4.630 1.00 0.00 O ATOM 1088 CB LEU A 80 5.485 -3.238 -1.690 1.00 0.00 C ATOM 1089 CG LEU A 80 6.567 -2.772 -0.709 1.00 0.00 C ATOM 1090 CD1 LEU A 80 7.584 -1.872 -1.402 1.00 0.00 C ATOM 1091 CD2 LEU A 80 5.929 -2.045 0.466 1.00 0.00 C ATOM 0 H LEU A 80 6.186 -5.401 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 80 4.903 -4.786 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.290 -2.429 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.564 -3.403 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 80 7.094 -3.651 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.340 -1.556 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.062 -2.421 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.078 -0.995 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.706 -1.718 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.379 -1.177 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.244 -2.718 0.982 1.00 0.00 H new ATOM 1103 N SER A 81 8.172 -4.449 -3.039 1.00 0.00 N ATOM 1104 CA SER A 81 9.336 -4.237 -3.898 1.00 0.00 C ATOM 1105 C SER A 81 9.361 -5.242 -5.051 1.00 0.00 C ATOM 1106 O SER A 81 9.801 -4.915 -6.153 1.00 0.00 O ATOM 1107 CB SER A 81 10.632 -4.339 -3.091 1.00 0.00 C ATOM 1108 OG SER A 81 10.991 -3.082 -2.545 1.00 0.00 O ATOM 0 H SER A 81 8.396 -4.759 -2.093 1.00 0.00 H new ATOM 0 HA SER A 81 9.258 -3.233 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.508 -5.066 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.435 -4.704 -3.731 1.00 0.00 H new ATOM 0 HG SER A 81 11.821 -3.173 -2.032 1.00 0.00 H new ATOM 1114 N GLN A 82 8.884 -6.464 -4.792 1.00 0.00 N ATOM 1115 CA GLN A 82 8.850 -7.512 -5.817 1.00 0.00 C ATOM 1116 C GLN A 82 7.893 -7.143 -6.957 1.00 0.00 C ATOM 1117 O GLN A 82 8.076 -7.581 -8.094 1.00 0.00 O ATOM 1118 CB GLN A 82 8.426 -8.856 -5.209 1.00 0.00 C ATOM 1119 CG GLN A 82 9.201 -9.248 -3.959 1.00 0.00 C ATOM 1120 CD GLN A 82 9.794 -10.643 -4.049 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.118 -11.593 -4.443 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.064 -10.776 -3.679 1.00 0.00 N ATOM 0 H GLN A 82 8.517 -6.751 -3.884 1.00 0.00 H new ATOM 0 HA GLN A 82 9.858 -7.604 -6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.364 -8.813 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.550 -9.637 -5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.002 -8.528 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.539 -9.194 -3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.590 -9.963 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.513 -11.691 -3.716 1.00 0.00 H new ATOM 1131 N GLN A 83 6.872 -6.339 -6.644 1.00 0.00 N ATOM 1132 CA GLN A 83 5.888 -5.917 -7.641 1.00 0.00 C ATOM 1133 C GLN A 83 6.534 -5.041 -8.717 1.00 0.00 C ATOM 1134 O GLN A 83 6.956 -3.913 -8.447 1.00 0.00 O ATOM 1135 CB GLN A 83 4.733 -5.165 -6.969 1.00 0.00 C ATOM 1136 CG GLN A 83 4.144 -5.877 -5.754 1.00 0.00 C ATOM 1137 CD GLN A 83 3.854 -7.348 -6.000 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.531 -7.751 -7.117 1.00 0.00 O ATOM 1139 NE2 GLN A 83 3.966 -8.160 -4.953 1.00 0.00 N ATOM 0 H GLN A 83 6.707 -5.969 -5.708 1.00 0.00 H new ATOM 0 HA GLN A 83 5.493 -6.812 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.085 -4.180 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.942 -5.007 -7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.837 -5.786 -4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.221 -5.376 -5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.236 -7.785 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.782 -9.158 -5.059 1.00 0.00 H new ATOM 1148 N ARG A 84 6.611 -5.577 -9.937 1.00 0.00 N ATOM 1149 CA ARG A 84 7.207 -4.865 -11.067 1.00 0.00 C ATOM 1150 C ARG A 84 6.130 -4.355 -12.027 1.00 0.00 C ATOM 1151 O ARG A 84 5.119 -5.024 -12.250 1.00 0.00 O ATOM 1152 CB ARG A 84 8.169 -5.800 -11.810 1.00 0.00 C ATOM 1153 CG ARG A 84 8.932 -5.139 -12.951 1.00 0.00 C ATOM 1154 CD ARG A 84 8.769 -5.911 -14.252 1.00 0.00 C ATOM 1155 NE ARG A 84 9.997 -5.916 -15.048 1.00 0.00 N ATOM 1156 CZ ARG A 84 10.399 -4.895 -15.812 1.00 0.00 C ATOM 1157 NH1 ARG A 84 9.678 -3.778 -15.883 1.00 0.00 N ATOM 1158 NH2 ARG A 84 11.529 -4.992 -16.506 1.00 0.00 N ATOM 0 H ARG A 84 6.265 -6.508 -10.167 1.00 0.00 H new ATOM 0 HA ARG A 84 7.754 -4.003 -10.684 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.886 -6.206 -11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.603 -6.643 -12.207 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.575 -4.118 -13.085 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.989 -5.076 -12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.478 -6.938 -14.030 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.961 -5.470 -14.836 1.00 0.00 H new ATOM 0 HE ARG A 84 10.583 -6.750 -15.018 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.811 -3.696 -15.352 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.993 -3.004 -16.468 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.087 -5.844 -16.455 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.838 -4.214 -17.089 1.00 0.00 H new ATOM 1172 N GLY A 85 6.360 -3.171 -12.603 1.00 0.00 N ATOM 1173 CA GLY A 85 5.409 -2.592 -13.542 1.00 0.00 C ATOM 1174 C GLY A 85 4.053 -2.318 -12.916 1.00 0.00 C ATOM 1175 O GLY A 85 3.898 -1.364 -12.149 1.00 0.00 O ATOM 0 H GLY A 85 7.190 -2.603 -12.434 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.816 -1.661 -13.936 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.283 -3.268 -14.388 1.00 0.00 H new ATOM 1179 N GLU A 86 3.072 -3.160 -13.243 1.00 0.00 N ATOM 1180 CA GLU A 86 1.722 -3.012 -12.709 1.00 0.00 C ATOM 1181 C GLU A 86 1.630 -3.604 -11.308 1.00 0.00 C ATOM 1182 O GLU A 86 1.999 -4.759 -11.087 1.00 0.00 O ATOM 1183 CB GLU A 86 0.701 -3.691 -13.626 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.714 -3.155 -13.466 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.774 -4.202 -13.749 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -2.030 -4.480 -14.940 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.348 -4.744 -12.780 1.00 0.00 O ATOM 0 H GLU A 86 3.189 -3.951 -13.876 1.00 0.00 H new ATOM 0 HA GLU A 86 1.496 -1.947 -12.657 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.014 -3.562 -14.662 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.700 -4.762 -13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.843 -2.779 -12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.856 -2.310 -14.139 1.00 0.00 H new ATOM 1194 N ILE A 87 1.138 -2.807 -10.365 1.00 0.00 N ATOM 1195 CA ILE A 87 1.000 -3.256 -8.986 1.00 0.00 C ATOM 1196 C ILE A 87 -0.416 -3.017 -8.471 1.00 0.00 C ATOM 1197 O ILE A 87 -0.903 -1.883 -8.462 1.00 0.00 O ATOM 1198 CB ILE A 87 2.001 -2.542 -8.053 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.384 -2.462 -8.708 1.00 0.00 C ATOM 1200 CG2 ILE A 87 2.081 -3.264 -6.713 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.413 -1.740 -7.866 1.00 0.00 C ATOM 0 H ILE A 87 0.829 -1.849 -10.531 1.00 0.00 H new ATOM 0 HA ILE A 87 1.213 -4.325 -8.981 1.00 0.00 H new ATOM 0 HB ILE A 87 1.649 -1.526 -7.877 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.739 -3.472 -8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.293 -1.955 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.791 -2.750 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.098 -3.269 -6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.412 -4.290 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.367 -1.722 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.081 -0.718 -7.683 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.534 -2.259 -6.915 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.067 -4.092 -8.033 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.422 -4.009 -7.504 1.00 0.00 C ATOM 1215 C GLU A 88 -2.393 -3.858 -5.987 1.00 0.00 C ATOM 1216 O GLU A 88 -1.707 -4.612 -5.295 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.223 -5.259 -7.880 1.00 0.00 C ATOM 1218 CG GLU A 88 -3.958 -5.139 -9.206 1.00 0.00 C ATOM 1219 CD GLU A 88 -4.200 -6.484 -9.862 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -3.210 -7.164 -10.209 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -5.380 -6.860 -10.027 1.00 0.00 O ATOM 0 H GLU A 88 -0.674 -5.033 -8.035 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.904 -3.134 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.547 -6.113 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.946 -5.467 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.914 -4.641 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.380 -4.508 -9.882 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.139 -2.884 -5.476 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.196 -2.641 -4.040 1.00 0.00 C ATOM 1230 C PHE A 89 -4.640 -2.638 -3.549 1.00 0.00 C ATOM 1231 O PHE A 89 -5.496 -1.951 -4.112 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.523 -1.309 -3.700 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.224 -1.460 -2.955 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -1.215 -1.767 -1.603 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -0.012 -1.289 -3.606 1.00 0.00 C ATOM 1236 CE1 PHE A 89 -0.024 -1.900 -0.915 1.00 0.00 C ATOM 1237 CE2 PHE A 89 1.183 -1.420 -2.923 1.00 0.00 C ATOM 1238 CZ PHE A 89 1.177 -1.726 -1.576 1.00 0.00 C ATOM 0 H PHE A 89 -3.712 -2.251 -6.035 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.662 -3.447 -3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.340 -0.758 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.208 -0.709 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.151 -1.904 -1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.001 -1.051 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.032 -2.140 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.120 -1.283 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.109 -1.829 -1.040 1.00 0.00 H new ATOM 1248 N GLU A 90 -4.901 -3.406 -2.493 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.237 -3.490 -1.918 1.00 0.00 C ATOM 1250 C GLU A 90 -6.270 -2.809 -0.555 1.00 0.00 C ATOM 1251 O GLU A 90 -5.608 -3.251 0.387 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.676 -4.952 -1.792 1.00 0.00 C ATOM 1253 CG GLU A 90 -7.685 -5.375 -2.850 1.00 0.00 C ATOM 1254 CD GLU A 90 -7.271 -6.632 -3.593 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -6.134 -6.671 -4.112 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -8.086 -7.578 -3.656 1.00 0.00 O ATOM 0 H GLU A 90 -4.202 -3.979 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.932 -2.976 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.798 -5.594 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.109 -5.109 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.652 -5.541 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.816 -4.563 -3.565 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.039 -1.728 -0.464 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.160 -0.971 0.778 1.00 0.00 C ATOM 1265 C VAL A 91 -8.615 -0.607 1.068 1.00 0.00 C ATOM 1266 O VAL A 91 -9.472 -0.673 0.183 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.320 0.325 0.735 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.831 0.007 0.781 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.659 1.146 -0.502 1.00 0.00 C ATOM 0 H VAL A 91 -7.589 -1.356 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.784 -1.615 1.573 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.567 0.919 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.260 0.935 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.602 -0.529 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.565 -0.612 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.056 2.054 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.448 0.560 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.716 1.412 -0.484 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.883 -0.215 2.313 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.229 0.170 2.730 1.00 0.00 C ATOM 1281 C VAL A 92 -10.212 1.524 3.440 1.00 0.00 C ATOM 1282 O VAL A 92 -9.372 1.766 4.309 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.864 -0.886 3.663 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.222 -2.144 2.886 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -9.935 -1.216 4.825 1.00 0.00 C ATOM 0 H VAL A 92 -8.182 -0.156 3.052 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.832 0.241 1.825 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.782 -0.465 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.668 -2.874 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.934 -1.895 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.321 -2.565 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.405 -1.961 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.995 -1.611 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.739 -0.312 5.402 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.141 2.404 3.063 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.227 3.736 3.664 1.00 0.00 C ATOM 1297 C TYR A 93 -11.616 3.644 5.138 1.00 0.00 C ATOM 1298 O TYR A 93 -12.704 3.171 5.474 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.242 4.603 2.909 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.863 6.069 2.827 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.162 6.690 3.857 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.207 6.831 1.718 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.817 8.025 3.781 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.865 8.166 1.635 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.171 8.759 2.668 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.826 10.089 2.587 1.00 0.00 O ATOM 0 H TYR A 93 -11.843 2.219 2.346 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.243 4.200 3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.358 4.211 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.213 4.516 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.883 6.118 4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.751 6.371 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.273 8.492 4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.140 8.743 0.765 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.149 10.460 1.739 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.721 4.099 6.013 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.971 4.067 7.450 1.00 0.00 C ATOM 1318 C VAL A 94 -10.845 5.460 8.061 1.00 0.00 C ATOM 1319 O VAL A 94 -9.779 6.079 8.010 1.00 0.00 O ATOM 1320 CB VAL A 94 -10.017 3.087 8.171 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.335 1.650 7.776 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -8.558 3.416 7.869 1.00 0.00 C ATOM 0 H VAL A 94 -9.818 4.493 5.751 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.993 3.714 7.589 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.169 3.196 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.655 0.972 8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.362 1.415 8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.216 1.534 6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.911 2.710 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.384 3.345 6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.336 4.429 8.206 1.00 0.00 H new ATOM 1332 N ALA A 95 -11.945 5.947 8.631 1.00 0.00 N ATOM 1333 CA ALA A 95 -11.974 7.269 9.250 1.00 0.00 C ATOM 1334 C ALA A 95 -12.710 7.241 10.593 1.00 0.00 C ATOM 1335 O ALA A 95 -13.007 8.330 11.130 1.00 0.00 O ATOM 1336 CB ALA A 95 -12.623 8.267 8.300 1.00 0.00 C ATOM 0 H ALA A 95 -12.831 5.443 8.677 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.948 7.580 9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.643 9.252 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.049 8.314 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.642 7.949 8.079 1.00 0.00 H new