USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 773 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 24 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 27 GLN :FLIP amide:sc= -3.02! C(o=-6.2!,f=-3!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.172) USER MOD Single : A 8 GLN : amide:sc= -0.748 K(o=-0.75,f=-1.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -8.39! C(o=-8.4!,f=-15!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 164:sc= 0.0395 USER MOD Single : A 36 ASN : amide:sc=0.000476 X(o=0.00048,f=0) USER MOD Single : A 39 SER OG : rot -50:sc= 0.19 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 43 LYS NZ :NH3+ -128:sc= -1.24 (180deg=-2.39!) USER MOD Single : A 45 HIS : no HD1:sc= -2 K(o=-2,f=-2.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.022) USER MOD Single : A 50 HIS : no HD1:sc= -0.091 X(o=-0.091,f=-0.22) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.927 X(o=-0.93,f=-0.77) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 153:sc= -7.07! (180deg=-8.65!) USER MOD Single : A 61 GLN : amide:sc= -1.43 K(o=-1.4,f=-4.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -5.13! C(o=-5.1!,f=-7.9!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 83 LYS NZ :NH3+ 150:sc= -0.0478 (180deg=-0.416) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 76.849 -2.419 -16.512 1.00 0.00 N ATOM 2 CA PRO A 1 75.907 -1.682 -15.614 1.00 0.00 C ATOM 3 C PRO A 1 75.435 -2.607 -14.490 1.00 0.00 C ATOM 4 O PRO A 1 74.952 -3.695 -14.731 1.00 0.00 O ATOM 5 CB PRO A 1 74.709 -1.230 -16.448 1.00 0.00 C ATOM 6 CG PRO A 1 74.941 -1.711 -17.874 1.00 0.00 C ATOM 7 CD PRO A 1 76.278 -2.450 -17.893 1.00 0.00 C ATOM 0 H2 PRO A 1 76.993 -3.369 -16.169 1.00 0.00 H new ATOM 0 H3 PRO A 1 77.761 -1.962 -16.518 1.00 0.00 H new ATOM 0 HA PRO A 1 76.405 -0.819 -15.171 1.00 0.00 H new ATOM 0 HB2 PRO A 1 73.784 -1.646 -16.048 1.00 0.00 H new ATOM 0 HB3 PRO A 1 74.609 -0.145 -16.420 1.00 0.00 H new ATOM 0 HG2 PRO A 1 74.133 -2.370 -18.193 1.00 0.00 H new ATOM 0 HG3 PRO A 1 74.958 -0.869 -18.566 1.00 0.00 H new ATOM 0 HD2 PRO A 1 76.139 -3.479 -18.224 1.00 0.00 H new ATOM 0 HD3 PRO A 1 76.963 -1.979 -18.598 1.00 0.00 H new ATOM 17 N ILE A 2 75.572 -2.183 -13.264 1.00 0.00 N ATOM 18 CA ILE A 2 75.129 -3.042 -12.129 1.00 0.00 C ATOM 19 C ILE A 2 73.719 -3.565 -12.411 1.00 0.00 C ATOM 20 O ILE A 2 73.381 -4.680 -12.065 1.00 0.00 O ATOM 21 CB ILE A 2 75.123 -2.224 -10.835 1.00 0.00 C ATOM 22 CG1 ILE A 2 76.435 -1.447 -10.712 1.00 0.00 C ATOM 23 CG2 ILE A 2 74.973 -3.162 -9.638 1.00 0.00 C ATOM 24 CD1 ILE A 2 77.610 -2.379 -11.008 1.00 0.00 C ATOM 0 H ILE A 2 75.970 -1.282 -12.999 1.00 0.00 H new ATOM 0 HA ILE A 2 75.815 -3.882 -12.019 1.00 0.00 H new ATOM 0 HB ILE A 2 74.288 -1.524 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 2 76.439 -0.607 -11.407 1.00 0.00 H new ATOM 0 HG13 ILE A 2 76.531 -1.031 -9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 2 74.969 -2.579 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 2 74.036 -3.713 -9.723 1.00 0.00 H new ATOM 0 HG23 ILE A 2 75.807 -3.864 -9.619 1.00 0.00 H new ATOM 0 HD11 ILE A 2 78.545 -1.825 -10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 2 77.609 -3.204 -10.295 1.00 0.00 H new ATOM 0 HD13 ILE A 2 77.516 -2.774 -12.020 1.00 0.00 H new ATOM 36 N THR A 3 72.897 -2.775 -13.046 1.00 0.00 N ATOM 37 CA THR A 3 71.518 -3.232 -13.358 1.00 0.00 C ATOM 38 C THR A 3 70.761 -2.147 -14.137 1.00 0.00 C ATOM 39 O THR A 3 71.247 -1.050 -14.328 1.00 0.00 O ATOM 40 CB THR A 3 70.782 -3.594 -12.056 1.00 0.00 C ATOM 41 OG1 THR A 3 69.899 -4.679 -12.304 1.00 0.00 O ATOM 42 CG2 THR A 3 69.978 -2.401 -11.535 1.00 0.00 C ATOM 0 H THR A 3 73.123 -1.832 -13.362 1.00 0.00 H new ATOM 0 HA THR A 3 71.567 -4.122 -13.985 1.00 0.00 H new ATOM 0 HB THR A 3 71.521 -3.872 -11.304 1.00 0.00 H new ATOM 0 HG1 THR A 3 69.429 -4.914 -11.477 1.00 0.00 H new ATOM 0 HG21 THR A 3 69.467 -2.681 -10.614 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.651 -1.567 -11.337 1.00 0.00 H new ATOM 0 HG23 THR A 3 69.242 -2.104 -12.282 1.00 0.00 H new ATOM 50 N LYS A 4 69.580 -2.459 -14.598 1.00 0.00 N ATOM 51 CA LYS A 4 68.785 -1.466 -15.379 1.00 0.00 C ATOM 52 C LYS A 4 68.617 -0.167 -14.583 1.00 0.00 C ATOM 53 O LYS A 4 68.961 0.900 -15.050 1.00 0.00 O ATOM 54 CB LYS A 4 67.405 -2.049 -15.699 1.00 0.00 C ATOM 55 CG LYS A 4 66.859 -2.794 -14.478 1.00 0.00 C ATOM 56 CD LYS A 4 65.609 -2.081 -13.962 1.00 0.00 C ATOM 57 CE LYS A 4 64.522 -3.113 -13.653 1.00 0.00 C ATOM 58 NZ LYS A 4 63.566 -2.546 -12.660 1.00 0.00 N ATOM 0 H LYS A 4 69.129 -3.364 -14.467 1.00 0.00 H new ATOM 0 HA LYS A 4 69.316 -1.246 -16.305 1.00 0.00 H new ATOM 0 HB2 LYS A 4 66.720 -1.250 -15.985 1.00 0.00 H new ATOM 0 HB3 LYS A 4 67.475 -2.728 -16.549 1.00 0.00 H new ATOM 0 HG2 LYS A 4 66.620 -3.824 -14.744 1.00 0.00 H new ATOM 0 HG3 LYS A 4 67.616 -2.835 -13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 4 65.848 -1.509 -13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 4 65.249 -1.371 -14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 4 63.994 -3.386 -14.567 1.00 0.00 H new ATOM 0 HE3 LYS A 4 64.972 -4.025 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 62.827 -3.247 -12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 64.075 -2.307 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 63.128 -1.688 -13.051 1.00 0.00 H new ATOM 72 N GLU A 5 68.084 -0.240 -13.392 1.00 0.00 N ATOM 73 CA GLU A 5 67.892 1.000 -12.591 1.00 0.00 C ATOM 74 C GLU A 5 69.160 1.328 -11.814 1.00 0.00 C ATOM 75 O GLU A 5 69.164 2.141 -10.912 1.00 0.00 O ATOM 76 CB GLU A 5 66.733 0.806 -11.619 1.00 0.00 C ATOM 77 CG GLU A 5 65.569 1.715 -12.017 1.00 0.00 C ATOM 78 CD GLU A 5 65.535 2.935 -11.094 1.00 0.00 C ATOM 79 OE1 GLU A 5 66.440 3.069 -10.289 1.00 0.00 O ATOM 80 OE2 GLU A 5 64.602 3.714 -11.209 1.00 0.00 O ATOM 0 H GLU A 5 67.775 -1.102 -12.942 1.00 0.00 H new ATOM 0 HA GLU A 5 67.668 1.826 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 5 66.412 -0.236 -11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.055 1.035 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 5 65.680 2.033 -13.054 1.00 0.00 H new ATOM 0 HG3 GLU A 5 64.628 1.169 -11.950 1.00 0.00 H new ATOM 87 N GLU A 6 70.230 0.706 -12.172 1.00 0.00 N ATOM 88 CA GLU A 6 71.520 0.966 -11.488 1.00 0.00 C ATOM 89 C GLU A 6 72.273 2.076 -12.201 1.00 0.00 C ATOM 90 O GLU A 6 73.359 2.465 -11.821 1.00 0.00 O ATOM 91 CB GLU A 6 72.354 -0.307 -11.489 1.00 0.00 C ATOM 92 CG GLU A 6 72.073 -1.103 -10.212 1.00 0.00 C ATOM 93 CD GLU A 6 73.026 -0.649 -9.105 1.00 0.00 C ATOM 94 OE1 GLU A 6 73.604 0.415 -9.249 1.00 0.00 O ATOM 95 OE2 GLU A 6 73.160 -1.374 -8.133 1.00 0.00 O ATOM 0 H GLU A 6 70.273 0.016 -12.922 1.00 0.00 H new ATOM 0 HA GLU A 6 71.328 1.276 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 6 72.116 -0.910 -12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 6 73.414 -0.060 -11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 6 71.039 -0.955 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 6 72.200 -2.169 -10.400 1.00 0.00 H new ATOM 102 N LYS A 7 71.693 2.579 -13.232 1.00 0.00 N ATOM 103 CA LYS A 7 72.336 3.669 -14.008 1.00 0.00 C ATOM 104 C LYS A 7 71.308 4.750 -14.370 1.00 0.00 C ATOM 105 O LYS A 7 71.665 5.842 -14.765 1.00 0.00 O ATOM 106 CB LYS A 7 72.945 3.094 -15.289 1.00 0.00 C ATOM 107 CG LYS A 7 74.239 2.350 -14.949 1.00 0.00 C ATOM 108 CD LYS A 7 75.433 3.286 -15.148 1.00 0.00 C ATOM 109 CE LYS A 7 75.679 3.489 -16.644 1.00 0.00 C ATOM 110 NZ LYS A 7 75.470 4.923 -16.992 1.00 0.00 N ATOM 0 H LYS A 7 70.783 2.282 -13.584 1.00 0.00 H new ATOM 0 HA LYS A 7 73.119 4.119 -13.397 1.00 0.00 H new ATOM 0 HB2 LYS A 7 72.238 2.416 -15.768 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.149 3.895 -15.999 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.208 1.997 -13.918 1.00 0.00 H new ATOM 0 HG3 LYS A 7 74.343 1.470 -15.584 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.241 4.245 -14.667 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.321 2.865 -14.677 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.694 3.186 -16.901 1.00 0.00 H new ATOM 0 HE3 LYS A 7 75.002 2.861 -17.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.168 4.999 -17.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.737 5.327 -16.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.360 5.445 -16.860 1.00 0.00 H new ATOM 124 N GLN A 8 70.038 4.464 -14.244 1.00 0.00 N ATOM 125 CA GLN A 8 69.011 5.488 -14.586 1.00 0.00 C ATOM 126 C GLN A 8 69.329 6.793 -13.856 1.00 0.00 C ATOM 127 O GLN A 8 69.127 7.872 -14.374 1.00 0.00 O ATOM 128 CB GLN A 8 67.629 4.986 -14.161 1.00 0.00 C ATOM 129 CG GLN A 8 66.988 4.213 -15.314 1.00 0.00 C ATOM 130 CD GLN A 8 65.537 3.879 -14.962 1.00 0.00 C ATOM 131 OE1 GLN A 8 64.862 4.655 -14.314 1.00 0.00 O ATOM 132 NE2 GLN A 8 65.024 2.749 -15.365 1.00 0.00 N ATOM 0 H GLN A 8 69.670 3.569 -13.920 1.00 0.00 H new ATOM 0 HA GLN A 8 69.017 5.664 -15.662 1.00 0.00 H new ATOM 0 HB2 GLN A 8 67.718 4.344 -13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 8 66.997 5.827 -13.878 1.00 0.00 H new ATOM 0 HG2 GLN A 8 67.024 4.806 -16.228 1.00 0.00 H new ATOM 0 HG3 GLN A 8 67.547 3.297 -15.506 1.00 0.00 H new ATOM 0 HE21 GLN A 8 65.590 2.097 -15.909 1.00 0.00 H new ATOM 0 HE22 GLN A 8 64.057 2.517 -15.136 1.00 0.00 H new ATOM 141 N LYS A 9 69.827 6.702 -12.653 1.00 0.00 N ATOM 142 CA LYS A 9 70.160 7.937 -11.888 1.00 0.00 C ATOM 143 C LYS A 9 70.676 7.555 -10.500 1.00 0.00 C ATOM 144 O LYS A 9 70.464 8.258 -9.532 1.00 0.00 O ATOM 145 CB LYS A 9 68.907 8.799 -11.745 1.00 0.00 C ATOM 146 CG LYS A 9 67.862 8.048 -10.918 1.00 0.00 C ATOM 147 CD LYS A 9 66.512 8.097 -11.636 1.00 0.00 C ATOM 148 CE LYS A 9 65.465 7.351 -10.806 1.00 0.00 C ATOM 149 NZ LYS A 9 64.116 7.920 -11.082 1.00 0.00 N ATOM 0 H LYS A 9 70.018 5.826 -12.167 1.00 0.00 H new ATOM 0 HA LYS A 9 70.929 8.497 -12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 9 69.156 9.745 -11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.504 9.039 -12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.172 7.013 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 9 67.776 8.496 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.204 9.132 -11.784 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.597 7.645 -12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 9 65.481 6.289 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 9 65.698 7.437 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 63.404 7.414 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.106 8.928 -10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 63.895 7.816 -12.093 1.00 0.00 H new ATOM 163 N VAL A 10 71.347 6.445 -10.396 1.00 0.00 N ATOM 164 CA VAL A 10 71.874 6.010 -9.077 1.00 0.00 C ATOM 165 C VAL A 10 73.121 6.820 -8.726 1.00 0.00 C ATOM 166 O VAL A 10 73.226 7.388 -7.657 1.00 0.00 O ATOM 167 CB VAL A 10 72.229 4.522 -9.135 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.048 4.140 -7.901 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.942 3.693 -9.166 1.00 0.00 C ATOM 0 H VAL A 10 71.554 5.817 -11.173 1.00 0.00 H new ATOM 0 HA VAL A 10 71.113 6.173 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 10 72.814 4.325 -10.033 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.299 3.080 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.964 4.730 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.465 4.338 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.193 2.633 -9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.359 3.893 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.357 3.962 -10.046 1.00 0.00 H new ATOM 179 N ILE A 11 74.071 6.872 -9.616 1.00 0.00 N ATOM 180 CA ILE A 11 75.315 7.635 -9.338 1.00 0.00 C ATOM 181 C ILE A 11 75.036 9.124 -9.469 1.00 0.00 C ATOM 182 O ILE A 11 75.412 9.924 -8.638 1.00 0.00 O ATOM 183 CB ILE A 11 76.418 7.202 -10.318 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.474 8.081 -11.583 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.199 5.745 -10.722 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.381 7.665 -12.561 1.00 0.00 C ATOM 0 H ILE A 11 74.038 6.416 -10.528 1.00 0.00 H new ATOM 0 HA ILE A 11 75.654 7.430 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 11 77.370 7.320 -9.801 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.350 9.129 -11.312 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.451 7.988 -12.057 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.981 5.439 -11.417 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.233 5.112 -9.835 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.226 5.643 -11.203 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.430 8.293 -13.451 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.524 6.622 -12.844 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.406 7.782 -12.088 1.00 0.00 H new ATOM 198 N GLN A 12 74.379 9.483 -10.518 1.00 0.00 N ATOM 199 CA GLN A 12 74.043 10.921 -10.751 1.00 0.00 C ATOM 200 C GLN A 12 73.655 11.542 -9.414 1.00 0.00 C ATOM 201 O GLN A 12 73.947 12.688 -9.130 1.00 0.00 O ATOM 202 CB GLN A 12 72.872 11.028 -11.733 1.00 0.00 C ATOM 203 CG GLN A 12 71.580 10.583 -11.047 1.00 0.00 C ATOM 204 CD GLN A 12 70.987 11.754 -10.263 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.606 11.603 -9.119 1.00 0.00 O ATOM 206 NE2 GLN A 12 70.890 12.923 -10.833 1.00 0.00 N ATOM 0 H GLN A 12 74.051 8.843 -11.241 1.00 0.00 H new ATOM 0 HA GLN A 12 74.900 11.444 -11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.773 12.055 -12.085 1.00 0.00 H new ATOM 0 HB3 GLN A 12 73.062 10.408 -12.609 1.00 0.00 H new ATOM 0 HG2 GLN A 12 70.865 10.230 -11.790 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.781 9.748 -10.376 1.00 0.00 H new ATOM 0 HE21 GLN A 12 71.210 13.050 -11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 12 70.495 13.710 -10.319 1.00 0.00 H new ATOM 215 N GLU A 13 73.028 10.767 -8.576 1.00 0.00 N ATOM 216 CA GLU A 13 72.644 11.263 -7.235 1.00 0.00 C ATOM 217 C GLU A 13 73.782 10.944 -6.263 1.00 0.00 C ATOM 218 O GLU A 13 74.090 11.710 -5.371 1.00 0.00 O ATOM 219 CB GLU A 13 71.359 10.569 -6.775 1.00 0.00 C ATOM 220 CG GLU A 13 70.435 11.591 -6.110 1.00 0.00 C ATOM 221 CD GLU A 13 68.979 11.171 -6.313 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.757 10.175 -6.982 1.00 0.00 O ATOM 223 OE2 GLU A 13 68.109 11.853 -5.795 1.00 0.00 O ATOM 0 H GLU A 13 72.764 9.801 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 13 72.467 12.338 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.857 10.109 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 13 71.597 9.768 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.659 11.661 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 13 70.602 12.580 -6.537 1.00 0.00 H new ATOM 230 N PHE A 14 74.406 9.808 -6.437 1.00 0.00 N ATOM 231 CA PHE A 14 75.523 9.414 -5.544 1.00 0.00 C ATOM 232 C PHE A 14 76.848 9.941 -6.101 1.00 0.00 C ATOM 233 O PHE A 14 77.470 10.808 -5.520 1.00 0.00 O ATOM 234 CB PHE A 14 75.580 7.888 -5.444 1.00 0.00 C ATOM 235 CG PHE A 14 74.601 7.415 -4.395 1.00 0.00 C ATOM 236 CD1 PHE A 14 74.739 7.840 -3.068 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.557 6.553 -4.750 1.00 0.00 C ATOM 238 CE1 PHE A 14 73.833 7.402 -2.096 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.650 6.115 -3.777 1.00 0.00 C ATOM 240 CZ PHE A 14 72.788 6.539 -2.450 1.00 0.00 C ATOM 0 H PHE A 14 74.183 9.133 -7.169 1.00 0.00 H new ATOM 0 HA PHE A 14 75.358 9.840 -4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 14 75.340 7.441 -6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.589 7.567 -5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 14 75.544 8.506 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.451 6.226 -5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 14 73.939 7.729 -1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.844 5.450 -4.050 1.00 0.00 H new ATOM 0 HZ PHE A 14 72.089 6.201 -1.699 1.00 0.00 H new ATOM 250 N ALA A 15 77.292 9.426 -7.217 1.00 0.00 N ATOM 251 CA ALA A 15 78.579 9.909 -7.790 1.00 0.00 C ATOM 252 C ALA A 15 78.485 11.406 -8.076 1.00 0.00 C ATOM 253 O ALA A 15 77.552 11.872 -8.698 1.00 0.00 O ATOM 254 CB ALA A 15 78.876 9.169 -9.095 1.00 0.00 C ATOM 0 H ALA A 15 76.822 8.696 -7.753 1.00 0.00 H new ATOM 0 HA ALA A 15 79.378 9.721 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.819 9.526 -9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.949 8.099 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.073 9.353 -9.809 1.00 0.00 H new ATOM 260 N ARG A 16 79.454 12.163 -7.641 1.00 0.00 N ATOM 261 CA ARG A 16 79.424 13.627 -7.905 1.00 0.00 C ATOM 262 C ARG A 16 80.235 13.907 -9.162 1.00 0.00 C ATOM 263 O ARG A 16 80.774 14.979 -9.355 1.00 0.00 O ATOM 264 CB ARG A 16 80.028 14.384 -6.719 1.00 0.00 C ATOM 265 CG ARG A 16 79.804 13.585 -5.435 1.00 0.00 C ATOM 266 CD ARG A 16 79.457 14.540 -4.294 1.00 0.00 C ATOM 267 NE ARG A 16 77.994 14.480 -4.021 1.00 0.00 N ATOM 268 CZ ARG A 16 77.229 15.489 -4.338 1.00 0.00 C ATOM 269 NH1 ARG A 16 76.808 15.629 -5.565 1.00 0.00 N ATOM 270 NH2 ARG A 16 76.885 16.358 -3.427 1.00 0.00 N ATOM 0 H ARG A 16 80.263 11.831 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 16 78.395 13.959 -8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 16 81.094 14.542 -6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 16 79.570 15.369 -6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 16 78.998 12.865 -5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.700 13.016 -5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 16 80.016 14.271 -3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 16 79.747 15.557 -4.557 1.00 0.00 H new ATOM 0 HE ARG A 16 77.590 13.650 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 16 77.077 14.950 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 16 76.210 16.418 -5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 16 77.214 16.249 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 16 76.287 17.147 -3.674 1.00 0.00 H new ATOM 284 N PHE A 17 80.325 12.932 -10.015 1.00 0.00 N ATOM 285 CA PHE A 17 81.103 13.091 -11.273 1.00 0.00 C ATOM 286 C PHE A 17 80.931 11.827 -12.112 1.00 0.00 C ATOM 287 O PHE A 17 80.396 10.844 -11.639 1.00 0.00 O ATOM 288 CB PHE A 17 82.583 13.278 -10.920 1.00 0.00 C ATOM 289 CG PHE A 17 82.944 14.746 -10.948 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.433 15.582 -11.950 1.00 0.00 C ATOM 291 CD2 PHE A 17 83.792 15.271 -9.966 1.00 0.00 C ATOM 292 CE1 PHE A 17 82.771 16.941 -11.969 1.00 0.00 C ATOM 293 CE2 PHE A 17 84.130 16.629 -9.985 1.00 0.00 C ATOM 294 CZ PHE A 17 83.620 17.464 -10.986 1.00 0.00 C ATOM 0 H PHE A 17 79.887 12.019 -9.894 1.00 0.00 H new ATOM 0 HA PHE A 17 80.752 13.957 -11.834 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.784 12.865 -9.931 1.00 0.00 H new ATOM 0 HB3 PHE A 17 83.205 12.729 -11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.778 15.178 -12.708 1.00 0.00 H new ATOM 0 HD2 PHE A 17 84.186 14.628 -9.193 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.377 17.585 -12.741 1.00 0.00 H new ATOM 0 HE2 PHE A 17 84.785 17.033 -9.227 1.00 0.00 H new ATOM 0 HZ PHE A 17 83.881 18.512 -11.000 1.00 0.00 H new ATOM 304 N PRO A 18 81.404 11.880 -13.326 1.00 0.00 N ATOM 305 CA PRO A 18 81.331 10.734 -14.243 1.00 0.00 C ATOM 306 C PRO A 18 82.306 9.644 -13.787 1.00 0.00 C ATOM 307 O PRO A 18 82.365 8.569 -14.350 1.00 0.00 O ATOM 308 CB PRO A 18 81.721 11.329 -15.600 1.00 0.00 C ATOM 309 CG PRO A 18 82.502 12.627 -15.293 1.00 0.00 C ATOM 310 CD PRO A 18 82.062 13.075 -13.892 1.00 0.00 C ATOM 0 HA PRO A 18 80.351 10.258 -14.281 1.00 0.00 H new ATOM 0 HB2 PRO A 18 82.335 10.631 -16.169 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.837 11.540 -16.201 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.577 12.450 -15.325 1.00 0.00 H new ATOM 0 HG3 PRO A 18 82.283 13.396 -16.034 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.913 13.386 -13.287 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.378 13.922 -13.940 1.00 0.00 H new ATOM 318 N GLY A 19 83.059 9.916 -12.754 1.00 0.00 N ATOM 319 CA GLY A 19 84.017 8.906 -12.233 1.00 0.00 C ATOM 320 C GLY A 19 83.886 8.827 -10.709 1.00 0.00 C ATOM 321 O GLY A 19 84.603 8.095 -10.054 1.00 0.00 O ATOM 0 H GLY A 19 83.049 10.801 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.815 7.932 -12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 19 85.036 9.177 -12.509 1.00 0.00 H new ATOM 325 N ASP A 20 82.975 9.575 -10.133 1.00 0.00 N ATOM 326 CA ASP A 20 82.804 9.538 -8.657 1.00 0.00 C ATOM 327 C ASP A 20 81.766 8.485 -8.289 1.00 0.00 C ATOM 328 O ASP A 20 81.125 8.553 -7.261 1.00 0.00 O ATOM 329 CB ASP A 20 82.359 10.909 -8.147 1.00 0.00 C ATOM 330 CG ASP A 20 82.406 10.926 -6.618 1.00 0.00 C ATOM 331 OD1 ASP A 20 81.436 10.501 -6.011 1.00 0.00 O ATOM 332 OD2 ASP A 20 83.410 11.364 -6.080 1.00 0.00 O ATOM 0 H ASP A 20 82.345 10.208 -10.627 1.00 0.00 H new ATOM 0 HA ASP A 20 83.756 9.282 -8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 20 83.008 11.687 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 20 81.348 11.127 -8.493 1.00 0.00 H new ATOM 337 N THR A 21 81.614 7.509 -9.124 1.00 0.00 N ATOM 338 CA THR A 21 80.635 6.420 -8.850 1.00 0.00 C ATOM 339 C THR A 21 81.347 5.322 -8.070 1.00 0.00 C ATOM 340 O THR A 21 80.744 4.581 -7.319 1.00 0.00 O ATOM 341 CB THR A 21 80.104 5.852 -10.170 1.00 0.00 C ATOM 342 OG1 THR A 21 80.934 4.779 -10.589 1.00 0.00 O ATOM 343 CG2 THR A 21 80.103 6.947 -11.240 1.00 0.00 C ATOM 0 H THR A 21 82.130 7.412 -9.998 1.00 0.00 H new ATOM 0 HA THR A 21 79.795 6.809 -8.274 1.00 0.00 H new ATOM 0 HB THR A 21 79.086 5.491 -10.025 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.595 4.413 -11.433 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.725 6.539 -12.177 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.464 7.770 -10.918 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.119 7.313 -11.387 1.00 0.00 H new ATOM 351 N GLY A 22 82.637 5.227 -8.229 1.00 0.00 N ATOM 352 CA GLY A 22 83.405 4.197 -7.484 1.00 0.00 C ATOM 353 C GLY A 22 83.767 4.758 -6.110 1.00 0.00 C ATOM 354 O GLY A 22 84.332 4.076 -5.278 1.00 0.00 O ATOM 0 H GLY A 22 83.192 5.821 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.814 3.288 -7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 22 84.308 3.928 -8.033 1.00 0.00 H new ATOM 358 N SER A 23 83.446 6.003 -5.865 1.00 0.00 N ATOM 359 CA SER A 23 83.770 6.609 -4.544 1.00 0.00 C ATOM 360 C SER A 23 83.266 5.692 -3.428 1.00 0.00 C ATOM 361 O SER A 23 82.721 4.635 -3.681 1.00 0.00 O ATOM 362 CB SER A 23 83.093 7.975 -4.428 1.00 0.00 C ATOM 363 OG SER A 23 83.938 8.857 -3.701 1.00 0.00 O ATOM 0 H SER A 23 82.974 6.623 -6.523 1.00 0.00 H new ATOM 0 HA SER A 23 84.849 6.732 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.893 8.380 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.132 7.876 -3.924 1.00 0.00 H new ATOM 0 HG SER A 23 83.508 9.734 -3.626 1.00 0.00 H new ATOM 369 N THR A 24 83.444 6.082 -2.197 1.00 0.00 N ATOM 370 CA THR A 24 82.975 5.225 -1.072 1.00 0.00 C ATOM 371 C THR A 24 81.509 5.537 -0.765 1.00 0.00 C ATOM 372 O THR A 24 80.780 4.702 -0.271 1.00 0.00 O ATOM 373 CB THR A 24 83.822 5.500 0.171 1.00 0.00 C ATOM 374 OG1 THR A 24 85.122 4.955 -0.012 1.00 0.00 O ATOM 375 CG2 THR A 24 83.162 4.852 1.389 1.00 0.00 C ATOM 0 H THR A 24 83.893 6.955 -1.921 1.00 0.00 H new ATOM 0 HA THR A 24 83.073 4.177 -1.355 1.00 0.00 H new ATOM 0 HB THR A 24 83.899 6.576 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.666 5.132 0.784 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.765 5.047 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.165 5.270 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.085 3.776 1.232 1.00 0.00 H new ATOM 383 N GLU A 25 81.071 6.731 -1.049 1.00 0.00 N ATOM 384 CA GLU A 25 79.656 7.089 -0.770 1.00 0.00 C ATOM 385 C GLU A 25 78.742 6.330 -1.731 1.00 0.00 C ATOM 386 O GLU A 25 77.715 5.804 -1.348 1.00 0.00 O ATOM 387 CB GLU A 25 79.471 8.591 -0.976 1.00 0.00 C ATOM 388 CG GLU A 25 80.084 9.346 0.203 1.00 0.00 C ATOM 389 CD GLU A 25 79.151 10.485 0.621 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.028 11.432 -0.138 1.00 0.00 O ATOM 391 OE2 GLU A 25 78.574 10.389 1.692 1.00 0.00 O ATOM 0 H GLU A 25 81.634 7.474 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 25 79.405 6.824 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.945 8.902 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.411 8.829 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.243 8.667 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.060 9.744 -0.074 1.00 0.00 H new ATOM 398 N VAL A 26 79.104 6.281 -2.980 1.00 0.00 N ATOM 399 CA VAL A 26 78.261 5.572 -3.980 1.00 0.00 C ATOM 400 C VAL A 26 78.157 4.086 -3.629 1.00 0.00 C ATOM 401 O VAL A 26 77.103 3.493 -3.739 1.00 0.00 O ATOM 402 CB VAL A 26 78.884 5.727 -5.368 1.00 0.00 C ATOM 403 CG1 VAL A 26 78.067 4.931 -6.387 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.885 7.206 -5.759 1.00 0.00 C ATOM 0 H VAL A 26 79.953 6.704 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 26 77.261 6.006 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 26 79.907 5.352 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 78.511 5.042 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 26 78.063 3.878 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 26 77.044 5.306 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 26 79.328 7.321 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.861 7.579 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.466 7.774 -5.033 1.00 0.00 H new ATOM 414 N GLN A 27 79.231 3.472 -3.212 1.00 0.00 N ATOM 415 CA GLN A 27 79.154 2.028 -2.868 1.00 0.00 C ATOM 416 C GLN A 27 78.336 1.867 -1.592 1.00 0.00 C ATOM 417 O GLN A 27 77.499 0.995 -1.486 1.00 0.00 O ATOM 418 CB GLN A 27 80.561 1.459 -2.664 1.00 0.00 C ATOM 419 CG GLN A 27 81.252 2.183 -1.507 1.00 0.00 C ATOM 420 CD GLN A 27 82.629 1.559 -1.270 1.00 0.00 C ATOM 421 OE1 GLN A 27 83.453 2.124 -0.431 1.00 0.00 O flip ATOM 422 NE2 GLN A 27 82.959 0.547 -1.856 1.00 0.00 N flip ATOM 0 H GLN A 27 80.148 3.904 -3.096 1.00 0.00 H new ATOM 0 HA GLN A 27 78.676 1.483 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.504 0.391 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 27 81.145 1.574 -3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 27 81.355 3.244 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 27 80.647 2.110 -0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.315 0.105 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.880 0.140 -1.692 1.00 0.00 H new ATOM 431 N VAL A 28 78.551 2.716 -0.631 1.00 0.00 N ATOM 432 CA VAL A 28 77.763 2.619 0.622 1.00 0.00 C ATOM 433 C VAL A 28 76.289 2.526 0.242 1.00 0.00 C ATOM 434 O VAL A 28 75.511 1.863 0.894 1.00 0.00 O ATOM 435 CB VAL A 28 78.013 3.871 1.470 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.976 3.962 2.591 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.413 3.796 2.080 1.00 0.00 C ATOM 0 H VAL A 28 79.237 3.471 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 28 78.054 1.742 1.200 1.00 0.00 H new ATOM 0 HB VAL A 28 77.931 4.754 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.163 4.855 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.977 4.017 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.049 3.079 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.595 4.685 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.489 2.909 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.155 3.741 1.283 1.00 0.00 H new ATOM 447 N ALA A 29 75.898 3.170 -0.825 1.00 0.00 N ATOM 448 CA ALA A 29 74.479 3.089 -1.249 1.00 0.00 C ATOM 449 C ALA A 29 74.204 1.672 -1.740 1.00 0.00 C ATOM 450 O ALA A 29 73.192 1.079 -1.419 1.00 0.00 O ATOM 451 CB ALA A 29 74.212 4.088 -2.375 1.00 0.00 C ATOM 0 H ALA A 29 76.499 3.744 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 29 73.826 3.329 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.168 4.022 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.424 5.098 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.854 3.858 -3.225 1.00 0.00 H new ATOM 457 N LEU A 30 75.105 1.113 -2.499 1.00 0.00 N ATOM 458 CA LEU A 30 74.898 -0.270 -2.985 1.00 0.00 C ATOM 459 C LEU A 30 75.001 -1.224 -1.789 1.00 0.00 C ATOM 460 O LEU A 30 74.648 -2.384 -1.872 1.00 0.00 O ATOM 461 CB LEU A 30 75.955 -0.605 -4.051 1.00 0.00 C ATOM 462 CG LEU A 30 77.207 -1.214 -3.406 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.108 -2.740 -3.440 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.447 -0.768 -4.183 1.00 0.00 C ATOM 0 H LEU A 30 75.972 1.557 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 30 73.914 -0.374 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.538 -1.304 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.225 0.298 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 30 77.283 -0.878 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.997 -3.173 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.224 -3.060 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.032 -3.077 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.337 -1.200 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.370 -1.105 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.519 0.319 -4.161 1.00 0.00 H new ATOM 476 N LEU A 31 75.485 -0.733 -0.677 1.00 0.00 N ATOM 477 CA LEU A 31 75.615 -1.593 0.523 1.00 0.00 C ATOM 478 C LEU A 31 74.208 -1.864 1.069 1.00 0.00 C ATOM 479 O LEU A 31 73.932 -2.903 1.633 1.00 0.00 O ATOM 480 CB LEU A 31 76.476 -0.864 1.577 1.00 0.00 C ATOM 481 CG LEU A 31 75.585 -0.095 2.552 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.098 -1.041 3.650 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.370 1.052 3.185 1.00 0.00 C ATOM 0 H LEU A 31 75.795 0.231 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 31 76.098 -2.538 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.084 -1.586 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.163 -0.177 1.083 1.00 0.00 H new ATOM 0 HG LEU A 31 74.731 0.312 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.462 -0.494 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.529 -1.856 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.955 -1.449 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.727 1.594 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.228 0.651 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.716 1.730 2.405 1.00 0.00 H new ATOM 495 N THR A 32 73.327 -0.915 0.903 1.00 0.00 N ATOM 496 CA THR A 32 71.935 -1.070 1.405 1.00 0.00 C ATOM 497 C THR A 32 71.170 -2.044 0.503 1.00 0.00 C ATOM 498 O THR A 32 70.358 -2.820 0.959 1.00 0.00 O ATOM 499 CB THR A 32 71.259 0.315 1.417 1.00 0.00 C ATOM 500 OG1 THR A 32 70.430 0.423 2.565 1.00 0.00 O ATOM 501 CG2 THR A 32 70.412 0.529 0.158 1.00 0.00 C ATOM 0 H THR A 32 73.517 -0.029 0.435 1.00 0.00 H new ATOM 0 HA THR A 32 71.938 -1.475 2.417 1.00 0.00 H new ATOM 0 HB THR A 32 72.038 1.077 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.208 1.365 2.721 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.948 1.514 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.048 0.460 -0.724 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.637 -0.236 0.107 1.00 0.00 H new ATOM 509 N LEU A 33 71.421 -1.997 -0.773 1.00 0.00 N ATOM 510 CA LEU A 33 70.706 -2.914 -1.705 1.00 0.00 C ATOM 511 C LEU A 33 70.856 -4.361 -1.227 1.00 0.00 C ATOM 512 O LEU A 33 69.889 -5.018 -0.894 1.00 0.00 O ATOM 513 CB LEU A 33 71.298 -2.777 -3.110 1.00 0.00 C ATOM 514 CG LEU A 33 70.285 -2.089 -4.028 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.842 -0.739 -4.482 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.027 -2.970 -5.251 1.00 0.00 C ATOM 0 H LEU A 33 72.090 -1.364 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 33 69.648 -2.651 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.221 -2.199 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.554 -3.760 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 33 69.352 -1.933 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.121 -0.249 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.028 -0.111 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.775 -0.894 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.306 -2.481 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.961 -3.125 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.630 -3.933 -4.929 1.00 0.00 H new ATOM 528 N ARG A 34 72.059 -4.866 -1.196 1.00 0.00 N ATOM 529 CA ARG A 34 72.269 -6.272 -0.746 1.00 0.00 C ATOM 530 C ARG A 34 71.664 -6.468 0.648 1.00 0.00 C ATOM 531 O ARG A 34 71.437 -7.578 1.084 1.00 0.00 O ATOM 532 CB ARG A 34 73.769 -6.571 -0.694 1.00 0.00 C ATOM 533 CG ARG A 34 74.405 -6.238 -2.045 1.00 0.00 C ATOM 534 CD ARG A 34 75.347 -7.370 -2.460 1.00 0.00 C ATOM 535 NE ARG A 34 76.519 -6.802 -3.185 1.00 0.00 N ATOM 536 CZ ARG A 34 77.030 -7.441 -4.201 1.00 0.00 C ATOM 537 NH1 ARG A 34 77.240 -8.727 -4.125 1.00 0.00 N ATOM 538 NH2 ARG A 34 77.332 -6.795 -5.294 1.00 0.00 N ATOM 0 H ARG A 34 72.907 -4.365 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 34 71.783 -6.950 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.240 -5.985 0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.933 -7.621 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.630 -6.101 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.955 -5.299 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 34 75.682 -7.920 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.821 -8.080 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 34 76.922 -5.914 -2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.005 -9.233 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 34 77.640 -9.226 -4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 34 77.169 -5.790 -5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 34 77.732 -7.295 -6.088 1.00 0.00 H new ATOM 552 N ILE A 35 71.405 -5.398 1.349 1.00 0.00 N ATOM 553 CA ILE A 35 70.823 -5.511 2.704 1.00 0.00 C ATOM 554 C ILE A 35 69.337 -5.863 2.585 1.00 0.00 C ATOM 555 O ILE A 35 68.841 -6.761 3.236 1.00 0.00 O ATOM 556 CB ILE A 35 71.018 -4.156 3.408 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.071 -4.302 4.505 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.712 -3.650 4.020 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.409 -3.787 3.982 1.00 0.00 C ATOM 0 H ILE A 35 71.576 -4.444 1.032 1.00 0.00 H new ATOM 0 HA ILE A 35 71.309 -6.296 3.283 1.00 0.00 H new ATOM 0 HB ILE A 35 71.346 -3.430 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.772 -3.741 5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 35 72.161 -5.346 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.887 -2.691 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.966 -3.526 3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.351 -4.371 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.167 -3.888 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.706 -4.367 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.311 -2.738 3.704 1.00 0.00 H new ATOM 571 N ASN A 36 68.630 -5.140 1.768 1.00 0.00 N ATOM 572 CA ASN A 36 67.171 -5.399 1.600 1.00 0.00 C ATOM 573 C ASN A 36 66.936 -6.836 1.124 1.00 0.00 C ATOM 574 O ASN A 36 66.082 -7.532 1.637 1.00 0.00 O ATOM 575 CB ASN A 36 66.597 -4.423 0.572 1.00 0.00 C ATOM 576 CG ASN A 36 66.551 -3.016 1.171 1.00 0.00 C ATOM 577 OD1 ASN A 36 65.693 -2.714 1.977 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.445 -2.137 0.810 1.00 0.00 N ATOM 0 H ASN A 36 69.000 -4.375 1.204 1.00 0.00 H new ATOM 0 HA ASN A 36 66.675 -5.260 2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.210 -4.426 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.596 -4.737 0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.424 -1.197 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 36 68.165 -2.390 0.134 1.00 0.00 H new ATOM 585 N ARG A 37 67.675 -7.289 0.146 1.00 0.00 N ATOM 586 CA ARG A 37 67.466 -8.677 -0.350 1.00 0.00 C ATOM 587 C ARG A 37 68.225 -9.670 0.523 1.00 0.00 C ATOM 588 O ARG A 37 68.336 -10.840 0.213 1.00 0.00 O ATOM 589 CB ARG A 37 67.943 -8.789 -1.797 1.00 0.00 C ATOM 590 CG ARG A 37 66.734 -8.757 -2.735 1.00 0.00 C ATOM 591 CD ARG A 37 67.191 -9.038 -4.168 1.00 0.00 C ATOM 592 NE ARG A 37 66.255 -8.382 -5.125 1.00 0.00 N ATOM 593 CZ ARG A 37 65.774 -9.058 -6.132 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.473 -9.179 -7.229 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.596 -9.611 -6.045 1.00 0.00 N ATOM 0 H ARG A 37 68.409 -6.761 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 37 66.402 -8.909 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 37 68.621 -7.969 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 37 68.501 -9.715 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 37 66.000 -9.500 -2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.245 -7.784 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 37 68.204 -8.663 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 37 67.219 -10.113 -4.348 1.00 0.00 H new ATOM 0 HE ARG A 37 65.991 -7.406 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 37 67.394 -8.745 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.098 -9.707 -8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.050 -9.515 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 37 64.221 -10.139 -6.833 1.00 0.00 H new ATOM 609 N LEU A 38 68.728 -9.207 1.616 1.00 0.00 N ATOM 610 CA LEU A 38 69.470 -10.095 2.546 1.00 0.00 C ATOM 611 C LEU A 38 68.493 -10.664 3.575 1.00 0.00 C ATOM 612 O LEU A 38 68.696 -11.730 4.122 1.00 0.00 O ATOM 613 CB LEU A 38 70.558 -9.294 3.264 1.00 0.00 C ATOM 614 CG LEU A 38 71.913 -9.973 3.058 1.00 0.00 C ATOM 615 CD1 LEU A 38 71.844 -11.417 3.555 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.265 -9.965 1.568 1.00 0.00 C ATOM 0 H LEU A 38 68.659 -8.235 1.916 1.00 0.00 H new ATOM 0 HA LEU A 38 69.934 -10.908 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 38 70.588 -8.275 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.332 -9.226 4.328 1.00 0.00 H new ATOM 0 HG LEU A 38 72.677 -9.433 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.810 -11.899 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 38 71.593 -11.425 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 38 71.080 -11.958 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 38 73.231 -10.449 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 38 71.499 -10.505 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 38 72.316 -8.936 1.212 1.00 0.00 H new ATOM 628 N SER A 39 67.435 -9.950 3.844 1.00 0.00 N ATOM 629 CA SER A 39 66.436 -10.427 4.840 1.00 0.00 C ATOM 630 C SER A 39 65.368 -11.267 4.139 1.00 0.00 C ATOM 631 O SER A 39 64.265 -11.415 4.627 1.00 0.00 O ATOM 632 CB SER A 39 65.778 -9.219 5.508 1.00 0.00 C ATOM 633 OG SER A 39 65.132 -9.637 6.704 1.00 0.00 O ATOM 0 H SER A 39 67.219 -9.051 3.414 1.00 0.00 H new ATOM 0 HA SER A 39 66.935 -11.038 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 39 66.527 -8.460 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.055 -8.763 4.831 1.00 0.00 H new ATOM 0 HG SER A 39 64.564 -10.413 6.515 1.00 0.00 H new ATOM 639 N GLU A 40 65.680 -11.820 3.000 1.00 0.00 N ATOM 640 CA GLU A 40 64.678 -12.646 2.277 1.00 0.00 C ATOM 641 C GLU A 40 65.386 -13.595 1.321 1.00 0.00 C ATOM 642 O GLU A 40 64.827 -14.063 0.349 1.00 0.00 O ATOM 643 CB GLU A 40 63.749 -11.739 1.486 1.00 0.00 C ATOM 644 CG GLU A 40 62.383 -11.673 2.171 1.00 0.00 C ATOM 645 CD GLU A 40 61.289 -12.044 1.168 1.00 0.00 C ATOM 646 OE1 GLU A 40 60.831 -11.156 0.467 1.00 0.00 O ATOM 647 OE2 GLU A 40 60.929 -13.208 1.118 1.00 0.00 O ATOM 0 H GLU A 40 66.586 -11.735 2.540 1.00 0.00 H new ATOM 0 HA GLU A 40 64.101 -13.223 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 40 64.178 -10.740 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 40 63.638 -12.115 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 40 62.358 -12.355 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 40 62.208 -10.670 2.561 1.00 0.00 H new ATOM 654 N HIS A 41 66.614 -13.874 1.600 1.00 0.00 N ATOM 655 CA HIS A 41 67.395 -14.792 0.730 1.00 0.00 C ATOM 656 C HIS A 41 66.951 -16.234 0.978 1.00 0.00 C ATOM 657 O HIS A 41 66.265 -16.831 0.173 1.00 0.00 O ATOM 658 CB HIS A 41 68.886 -14.652 1.048 1.00 0.00 C ATOM 659 CG HIS A 41 69.676 -14.681 -0.231 1.00 0.00 C ATOM 660 ND1 HIS A 41 69.615 -13.653 -1.160 1.00 0.00 N ATOM 661 CD2 HIS A 41 70.549 -15.604 -0.750 1.00 0.00 C ATOM 662 CE1 HIS A 41 70.430 -13.981 -2.180 1.00 0.00 C ATOM 663 NE2 HIS A 41 71.023 -15.161 -1.980 1.00 0.00 N ATOM 0 H HIS A 41 67.123 -13.504 2.403 1.00 0.00 H new ATOM 0 HA HIS A 41 67.222 -14.536 -0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.069 -13.718 1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 41 69.206 -15.461 1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.826 -16.534 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 41 70.585 -13.365 -3.053 1.00 0.00 H new ATOM 0 HE2 HIS A 41 71.682 -15.635 -2.597 1.00 0.00 H new ATOM 671 N LEU A 42 67.339 -16.795 2.088 1.00 0.00 N ATOM 672 CA LEU A 42 66.949 -18.195 2.400 1.00 0.00 C ATOM 673 C LEU A 42 65.456 -18.253 2.730 1.00 0.00 C ATOM 674 O LEU A 42 64.898 -19.312 2.937 1.00 0.00 O ATOM 675 CB LEU A 42 67.750 -18.676 3.606 1.00 0.00 C ATOM 676 CG LEU A 42 69.146 -19.109 3.155 1.00 0.00 C ATOM 677 CD1 LEU A 42 70.153 -18.006 3.478 1.00 0.00 C ATOM 678 CD2 LEU A 42 69.541 -20.392 3.892 1.00 0.00 C ATOM 0 H LEU A 42 67.914 -16.339 2.797 1.00 0.00 H new ATOM 0 HA LEU A 42 67.153 -18.832 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.827 -17.879 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.237 -19.509 4.087 1.00 0.00 H new ATOM 0 HG LEU A 42 69.141 -19.291 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.147 -18.316 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 42 69.871 -17.092 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 42 70.160 -17.823 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.536 -20.703 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 42 69.546 -20.208 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 42 68.823 -21.179 3.662 1.00 0.00 H new ATOM 690 N LYS A 43 64.804 -17.121 2.785 1.00 0.00 N ATOM 691 CA LYS A 43 63.348 -17.109 3.105 1.00 0.00 C ATOM 692 C LYS A 43 62.527 -17.376 1.846 1.00 0.00 C ATOM 693 O LYS A 43 61.337 -17.137 1.792 1.00 0.00 O ATOM 694 CB LYS A 43 62.966 -15.750 3.676 1.00 0.00 C ATOM 695 CG LYS A 43 63.363 -15.684 5.152 1.00 0.00 C ATOM 696 CD LYS A 43 64.835 -15.284 5.268 1.00 0.00 C ATOM 697 CE LYS A 43 65.513 -16.135 6.343 1.00 0.00 C ATOM 698 NZ LYS A 43 65.412 -17.575 5.975 1.00 0.00 N ATOM 0 H LYS A 43 65.219 -16.204 2.622 1.00 0.00 H new ATOM 0 HA LYS A 43 63.141 -17.890 3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 43 63.465 -14.957 3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 43 61.893 -15.588 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 43 62.737 -14.962 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.200 -16.651 5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 43 65.337 -15.422 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 43 64.917 -14.227 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 43 66.559 -15.847 6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 43 65.041 -15.962 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 65.017 -18.111 6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 64.790 -17.679 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 66.358 -17.942 5.746 1.00 0.00 H new ATOM 712 N VAL A 44 63.166 -17.878 0.846 1.00 0.00 N ATOM 713 CA VAL A 44 62.482 -18.192 -0.431 1.00 0.00 C ATOM 714 C VAL A 44 63.336 -19.209 -1.190 1.00 0.00 C ATOM 715 O VAL A 44 62.835 -20.137 -1.794 1.00 0.00 O ATOM 716 CB VAL A 44 62.342 -16.913 -1.257 1.00 0.00 C ATOM 717 CG1 VAL A 44 62.005 -17.268 -2.707 1.00 0.00 C ATOM 718 CG2 VAL A 44 61.221 -16.051 -0.671 1.00 0.00 C ATOM 0 H VAL A 44 64.163 -18.092 0.855 1.00 0.00 H new ATOM 0 HA VAL A 44 61.490 -18.602 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 44 63.282 -16.361 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 44 61.906 -16.354 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.802 -17.882 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.066 -17.821 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 44 61.119 -15.138 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.283 -16.606 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 44 61.461 -15.794 0.361 1.00 0.00 H new ATOM 728 N HIS A 45 64.629 -19.039 -1.147 1.00 0.00 N ATOM 729 CA HIS A 45 65.543 -19.983 -1.840 1.00 0.00 C ATOM 730 C HIS A 45 65.190 -21.419 -1.447 1.00 0.00 C ATOM 731 O HIS A 45 65.122 -21.754 -0.280 1.00 0.00 O ATOM 732 CB HIS A 45 66.980 -19.673 -1.419 1.00 0.00 C ATOM 733 CG HIS A 45 67.580 -18.677 -2.372 1.00 0.00 C ATOM 734 ND1 HIS A 45 68.509 -19.040 -3.335 1.00 0.00 N ATOM 735 CD2 HIS A 45 67.392 -17.325 -2.523 1.00 0.00 C ATOM 736 CE1 HIS A 45 68.842 -17.928 -4.016 1.00 0.00 C ATOM 737 NE2 HIS A 45 68.190 -16.854 -3.562 1.00 0.00 N ATOM 0 H HIS A 45 65.094 -18.276 -0.655 1.00 0.00 H new ATOM 0 HA HIS A 45 65.442 -19.875 -2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 45 66.995 -19.275 -0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 45 67.573 -20.588 -1.412 1.00 0.00 H new ATOM 0 HD2 HIS A 45 66.726 -16.719 -1.926 1.00 0.00 H new ATOM 0 HE1 HIS A 45 69.551 -17.906 -4.831 1.00 0.00 H new ATOM 0 HE2 HIS A 45 68.261 -15.895 -3.903 1.00 0.00 H new ATOM 745 N LYS A 46 64.962 -22.270 -2.408 1.00 0.00 N ATOM 746 CA LYS A 46 64.611 -23.682 -2.086 1.00 0.00 C ATOM 747 C LYS A 46 65.680 -24.278 -1.173 1.00 0.00 C ATOM 748 O LYS A 46 65.404 -25.118 -0.340 1.00 0.00 O ATOM 749 CB LYS A 46 64.530 -24.498 -3.378 1.00 0.00 C ATOM 750 CG LYS A 46 63.335 -24.023 -4.208 1.00 0.00 C ATOM 751 CD LYS A 46 62.080 -24.787 -3.781 1.00 0.00 C ATOM 752 CE LYS A 46 61.300 -25.222 -5.021 1.00 0.00 C ATOM 753 NZ LYS A 46 61.587 -26.655 -5.311 1.00 0.00 N ATOM 0 H LYS A 46 65.003 -22.049 -3.403 1.00 0.00 H new ATOM 0 HA LYS A 46 63.646 -23.708 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 65.451 -24.386 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 46 64.426 -25.558 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 46 63.186 -22.952 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.528 -24.184 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 46 62.357 -25.659 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 46 61.455 -24.156 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.231 -25.079 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 46 61.579 -24.604 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 61.056 -26.951 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 62.606 -26.777 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 61.300 -27.238 -4.499 1.00 0.00 H new ATOM 767 N LYS A 47 66.898 -23.845 -1.323 1.00 0.00 N ATOM 768 CA LYS A 47 67.996 -24.379 -0.469 1.00 0.00 C ATOM 769 C LYS A 47 69.346 -23.943 -1.040 1.00 0.00 C ATOM 770 O LYS A 47 70.243 -24.744 -1.216 1.00 0.00 O ATOM 771 CB LYS A 47 67.926 -25.907 -0.440 1.00 0.00 C ATOM 772 CG LYS A 47 67.706 -26.437 -1.859 1.00 0.00 C ATOM 773 CD LYS A 47 67.630 -27.965 -1.827 1.00 0.00 C ATOM 774 CE LYS A 47 67.039 -28.474 -3.142 1.00 0.00 C ATOM 775 NZ LYS A 47 66.306 -29.749 -2.897 1.00 0.00 N ATOM 0 H LYS A 47 67.183 -23.141 -2.003 1.00 0.00 H new ATOM 0 HA LYS A 47 67.887 -23.991 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 47 68.848 -26.316 -0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 47 67.114 -26.232 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 47 66.786 -26.025 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.520 -26.116 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 47 68.624 -28.386 -1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 47 67.014 -28.292 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 47 66.364 -27.729 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 47 67.832 -28.633 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 65.904 -30.096 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 66.963 -30.459 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 65.539 -29.583 -2.214 1.00 0.00 H new ATOM 789 N ASP A 48 69.500 -22.681 -1.332 1.00 0.00 N ATOM 790 CA ASP A 48 70.794 -22.199 -1.892 1.00 0.00 C ATOM 791 C ASP A 48 71.949 -22.760 -1.060 1.00 0.00 C ATOM 792 O ASP A 48 72.752 -23.538 -1.539 1.00 0.00 O ATOM 793 CB ASP A 48 70.831 -20.669 -1.849 1.00 0.00 C ATOM 794 CG ASP A 48 71.611 -20.143 -3.055 1.00 0.00 C ATOM 795 OD1 ASP A 48 71.166 -20.370 -4.168 1.00 0.00 O ATOM 796 OD2 ASP A 48 72.639 -19.522 -2.845 1.00 0.00 O ATOM 0 H ASP A 48 68.786 -21.963 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 48 70.891 -22.536 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.817 -20.270 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 48 71.300 -20.332 -0.924 1.00 0.00 H new ATOM 801 N HIS A 49 72.040 -22.373 0.183 1.00 0.00 N ATOM 802 CA HIS A 49 73.141 -22.884 1.045 1.00 0.00 C ATOM 803 C HIS A 49 73.108 -22.164 2.394 1.00 0.00 C ATOM 804 O HIS A 49 72.063 -21.768 2.871 1.00 0.00 O ATOM 805 CB HIS A 49 74.487 -22.627 0.363 1.00 0.00 C ATOM 806 CG HIS A 49 75.371 -23.833 0.524 1.00 0.00 C ATOM 807 ND1 HIS A 49 76.219 -24.267 -0.482 1.00 0.00 N ATOM 808 CD2 HIS A 49 75.549 -24.707 1.568 1.00 0.00 C ATOM 809 CE1 HIS A 49 76.863 -25.357 -0.027 1.00 0.00 C ATOM 810 NE2 HIS A 49 76.492 -25.668 1.217 1.00 0.00 N ATOM 0 H HIS A 49 71.398 -21.724 0.639 1.00 0.00 H new ATOM 0 HA HIS A 49 73.012 -23.955 1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 49 74.335 -22.413 -0.695 1.00 0.00 H new ATOM 0 HB3 HIS A 49 74.966 -21.751 0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 49 75.035 -24.656 2.517 1.00 0.00 H new ATOM 0 HE1 HIS A 49 77.592 -25.913 -0.599 1.00 0.00 H new ATOM 0 HE2 HIS A 49 76.828 -26.444 1.788 1.00 0.00 H new ATOM 818 N HIS A 50 74.243 -21.989 3.014 1.00 0.00 N ATOM 819 CA HIS A 50 74.273 -21.293 4.331 1.00 0.00 C ATOM 820 C HIS A 50 75.004 -19.967 4.185 1.00 0.00 C ATOM 821 O HIS A 50 75.510 -19.404 5.135 1.00 0.00 O ATOM 822 CB HIS A 50 75.004 -22.160 5.345 1.00 0.00 C ATOM 823 CG HIS A 50 74.014 -22.760 6.305 1.00 0.00 C ATOM 824 ND1 HIS A 50 72.800 -23.281 5.887 1.00 0.00 N ATOM 825 CD2 HIS A 50 74.045 -22.930 7.667 1.00 0.00 C ATOM 826 CE1 HIS A 50 72.156 -23.735 6.977 1.00 0.00 C ATOM 827 NE2 HIS A 50 72.871 -23.546 8.089 1.00 0.00 N ATOM 0 H HIS A 50 75.150 -22.298 2.665 1.00 0.00 H new ATOM 0 HA HIS A 50 73.253 -21.114 4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 50 75.554 -22.950 4.833 1.00 0.00 H new ATOM 0 HB3 HIS A 50 75.736 -21.563 5.888 1.00 0.00 H new ATOM 0 HD2 HIS A 50 74.857 -22.631 8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 50 71.180 -24.196 6.956 1.00 0.00 H new ATOM 0 HE2 HIS A 50 72.612 -23.799 9.043 1.00 0.00 H new ATOM 835 N SER A 51 75.055 -19.475 2.994 1.00 0.00 N ATOM 836 CA SER A 51 75.745 -18.181 2.737 1.00 0.00 C ATOM 837 C SER A 51 75.098 -17.080 3.579 1.00 0.00 C ATOM 838 O SER A 51 73.892 -16.936 3.608 1.00 0.00 O ATOM 839 CB SER A 51 75.627 -17.827 1.254 1.00 0.00 C ATOM 840 OG SER A 51 76.170 -18.883 0.474 1.00 0.00 O ATOM 0 H SER A 51 74.645 -19.914 2.170 1.00 0.00 H new ATOM 0 HA SER A 51 76.797 -18.271 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 51 74.582 -17.664 0.989 1.00 0.00 H new ATOM 0 HB3 SER A 51 76.157 -16.897 1.047 1.00 0.00 H new ATOM 0 HG SER A 51 76.094 -18.660 -0.477 1.00 0.00 H new ATOM 846 N HIS A 52 75.890 -16.301 4.263 1.00 0.00 N ATOM 847 CA HIS A 52 75.319 -15.209 5.101 1.00 0.00 C ATOM 848 C HIS A 52 76.422 -14.600 5.967 1.00 0.00 C ATOM 849 O HIS A 52 76.471 -13.406 6.181 1.00 0.00 O ATOM 850 CB HIS A 52 74.220 -15.778 6.001 1.00 0.00 C ATOM 851 CG HIS A 52 72.978 -14.941 5.868 1.00 0.00 C ATOM 852 ND1 HIS A 52 72.721 -13.863 6.701 1.00 0.00 N ATOM 853 CD2 HIS A 52 71.913 -15.011 5.005 1.00 0.00 C ATOM 854 CE1 HIS A 52 71.543 -13.332 6.324 1.00 0.00 C ATOM 855 NE2 HIS A 52 71.007 -13.995 5.294 1.00 0.00 N ATOM 0 H HIS A 52 76.907 -16.373 4.278 1.00 0.00 H new ATOM 0 HA HIS A 52 74.898 -14.439 4.455 1.00 0.00 H new ATOM 0 HB2 HIS A 52 74.007 -16.810 5.724 1.00 0.00 H new ATOM 0 HB3 HIS A 52 74.554 -15.789 7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 52 71.796 -15.744 4.220 1.00 0.00 H new ATOM 0 HE1 HIS A 52 71.086 -12.475 6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 52 70.124 -13.798 4.822 1.00 0.00 H new ATOM 863 N ARG A 53 77.307 -15.416 6.468 1.00 0.00 N ATOM 864 CA ARG A 53 78.408 -14.890 7.321 1.00 0.00 C ATOM 865 C ARG A 53 79.211 -13.850 6.537 1.00 0.00 C ATOM 866 O ARG A 53 79.493 -12.772 7.024 1.00 0.00 O ATOM 867 CB ARG A 53 79.327 -16.041 7.735 1.00 0.00 C ATOM 868 CG ARG A 53 80.020 -15.693 9.053 1.00 0.00 C ATOM 869 CD ARG A 53 80.438 -16.980 9.766 1.00 0.00 C ATOM 870 NE ARG A 53 81.853 -16.861 10.218 1.00 0.00 N ATOM 871 CZ ARG A 53 82.821 -16.874 9.343 1.00 0.00 C ATOM 872 NH1 ARG A 53 82.822 -17.760 8.384 1.00 0.00 N ATOM 873 NH2 ARG A 53 83.789 -16.002 9.426 1.00 0.00 N ATOM 0 H ARG A 53 77.315 -16.426 6.323 1.00 0.00 H new ATOM 0 HA ARG A 53 77.986 -14.424 8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 53 78.750 -16.959 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 53 80.070 -16.224 6.959 1.00 0.00 H new ATOM 0 HG2 ARG A 53 80.894 -15.070 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 53 79.348 -15.115 9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 53 79.786 -17.163 10.620 1.00 0.00 H new ATOM 0 HD3 ARG A 53 80.330 -17.832 9.095 1.00 0.00 H new ATOM 0 HE ARG A 53 82.065 -16.769 11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 53 82.066 -18.442 8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 53 83.579 -17.770 7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 53 83.789 -15.310 10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 53 84.545 -16.013 8.742 1.00 0.00 H new ATOM 887 N GLY A 54 79.586 -14.164 5.328 1.00 0.00 N ATOM 888 CA GLY A 54 80.374 -13.194 4.515 1.00 0.00 C ATOM 889 C GLY A 54 79.474 -12.034 4.087 1.00 0.00 C ATOM 890 O GLY A 54 79.945 -10.997 3.663 1.00 0.00 O ATOM 0 H GLY A 54 79.381 -15.051 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 81.217 -12.819 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 54 80.787 -13.691 3.637 1.00 0.00 H new ATOM 894 N LEU A 55 78.183 -12.197 4.191 1.00 0.00 N ATOM 895 CA LEU A 55 77.264 -11.102 3.788 1.00 0.00 C ATOM 896 C LEU A 55 76.994 -10.193 4.984 1.00 0.00 C ATOM 897 O LEU A 55 75.935 -9.612 5.116 1.00 0.00 O ATOM 898 CB LEU A 55 75.948 -11.693 3.280 1.00 0.00 C ATOM 899 CG LEU A 55 76.183 -12.384 1.936 1.00 0.00 C ATOM 900 CD1 LEU A 55 75.115 -13.458 1.720 1.00 0.00 C ATOM 901 CD2 LEU A 55 76.101 -11.350 0.810 1.00 0.00 C ATOM 0 H LEU A 55 77.728 -13.042 4.538 1.00 0.00 H new ATOM 0 HA LEU A 55 77.726 -10.519 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 55 75.554 -12.407 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.202 -10.906 3.171 1.00 0.00 H new ATOM 0 HG LEU A 55 77.170 -12.847 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 55 75.283 -13.950 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 55 75.172 -14.194 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 55 74.128 -12.995 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 55 76.268 -11.842 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.114 -10.887 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 55 76.862 -10.585 0.963 1.00 0.00 H new ATOM 913 N LEU A 56 77.950 -10.069 5.857 1.00 0.00 N ATOM 914 CA LEU A 56 77.779 -9.212 7.046 1.00 0.00 C ATOM 915 C LEU A 56 78.646 -7.965 6.897 1.00 0.00 C ATOM 916 O LEU A 56 78.253 -6.869 7.245 1.00 0.00 O ATOM 917 CB LEU A 56 78.218 -9.993 8.279 1.00 0.00 C ATOM 918 CG LEU A 56 77.204 -11.099 8.566 1.00 0.00 C ATOM 919 CD1 LEU A 56 77.693 -11.951 9.739 1.00 0.00 C ATOM 920 CD2 LEU A 56 75.853 -10.474 8.919 1.00 0.00 C ATOM 0 H LEU A 56 78.855 -10.535 5.791 1.00 0.00 H new ATOM 0 HA LEU A 56 76.735 -8.915 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 56 79.206 -10.423 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 56 78.297 -9.325 9.137 1.00 0.00 H new ATOM 0 HG LEU A 56 77.095 -11.727 7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 56 76.969 -12.740 9.943 1.00 0.00 H new ATOM 0 HD12 LEU A 56 78.655 -12.398 9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 56 77.804 -11.323 10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 56 75.129 -11.263 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 56 75.963 -9.844 9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 56 75.503 -9.869 8.083 1.00 0.00 H new ATOM 932 N MET A 57 79.825 -8.134 6.382 1.00 0.00 N ATOM 933 CA MET A 57 80.742 -6.975 6.198 1.00 0.00 C ATOM 934 C MET A 57 80.013 -5.858 5.449 1.00 0.00 C ATOM 935 O MET A 57 80.197 -4.689 5.725 1.00 0.00 O ATOM 936 CB MET A 57 81.962 -7.420 5.390 1.00 0.00 C ATOM 937 CG MET A 57 82.938 -6.250 5.251 1.00 0.00 C ATOM 938 SD MET A 57 83.251 -5.931 3.496 1.00 0.00 S ATOM 939 CE MET A 57 83.719 -4.191 3.664 1.00 0.00 C ATOM 0 H MET A 57 80.200 -9.032 6.077 1.00 0.00 H new ATOM 0 HA MET A 57 81.063 -6.606 7.172 1.00 0.00 H new ATOM 0 HB2 MET A 57 82.452 -8.259 5.884 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.652 -7.767 4.405 1.00 0.00 H new ATOM 0 HG2 MET A 57 82.525 -5.360 5.726 1.00 0.00 H new ATOM 0 HG3 MET A 57 83.873 -6.479 5.762 1.00 0.00 H new ATOM 0 HE1 MET A 57 83.959 -3.782 2.682 1.00 0.00 H new ATOM 0 HE2 MET A 57 82.890 -3.631 4.097 1.00 0.00 H new ATOM 0 HE3 MET A 57 84.590 -4.110 4.314 1.00 0.00 H new ATOM 949 N MET A 58 79.185 -6.206 4.501 1.00 0.00 N ATOM 950 CA MET A 58 78.446 -5.164 3.737 1.00 0.00 C ATOM 951 C MET A 58 77.675 -4.268 4.707 1.00 0.00 C ATOM 952 O MET A 58 77.622 -3.065 4.547 1.00 0.00 O ATOM 953 CB MET A 58 77.464 -5.837 2.774 1.00 0.00 C ATOM 954 CG MET A 58 76.328 -6.478 3.572 1.00 0.00 C ATOM 955 SD MET A 58 75.297 -7.470 2.463 1.00 0.00 S ATOM 956 CE MET A 58 73.770 -7.380 3.429 1.00 0.00 C ATOM 0 H MET A 58 78.989 -7.168 4.224 1.00 0.00 H new ATOM 0 HA MET A 58 79.155 -4.560 3.171 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.063 -5.103 2.075 1.00 0.00 H new ATOM 0 HB3 MET A 58 77.979 -6.593 2.182 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.735 -7.105 4.365 1.00 0.00 H new ATOM 0 HG3 MET A 58 75.726 -5.707 4.052 1.00 0.00 H new ATOM 0 HE1 MET A 58 72.912 -7.487 2.765 1.00 0.00 H new ATOM 0 HE2 MET A 58 73.759 -8.181 4.168 1.00 0.00 H new ATOM 0 HE3 MET A 58 73.717 -6.417 3.937 1.00 0.00 H new ATOM 966 N VAL A 59 77.073 -4.845 5.711 1.00 0.00 N ATOM 967 CA VAL A 59 76.303 -4.030 6.690 1.00 0.00 C ATOM 968 C VAL A 59 77.258 -3.125 7.470 1.00 0.00 C ATOM 969 O VAL A 59 76.886 -2.065 7.933 1.00 0.00 O ATOM 970 CB VAL A 59 75.573 -4.958 7.662 1.00 0.00 C ATOM 971 CG1 VAL A 59 74.640 -4.135 8.553 1.00 0.00 C ATOM 972 CG2 VAL A 59 74.752 -5.979 6.872 1.00 0.00 C ATOM 0 H VAL A 59 77.082 -5.848 5.895 1.00 0.00 H new ATOM 0 HA VAL A 59 75.577 -3.415 6.157 1.00 0.00 H new ATOM 0 HB VAL A 59 76.302 -5.478 8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 59 74.120 -4.797 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.224 -3.407 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.911 -3.614 7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 59 74.231 -6.641 7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 59 74.024 -5.458 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 59 75.415 -6.567 6.238 1.00 0.00 H new ATOM 982 N GLY A 60 78.488 -3.535 7.623 1.00 0.00 N ATOM 983 CA GLY A 60 79.466 -2.698 8.376 1.00 0.00 C ATOM 984 C GLY A 60 79.837 -1.466 7.550 1.00 0.00 C ATOM 985 O GLY A 60 80.577 -0.611 7.992 1.00 0.00 O ATOM 0 H GLY A 60 78.858 -4.413 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 60 79.038 -2.392 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 60 80.360 -3.280 8.600 1.00 0.00 H new ATOM 989 N GLN A 61 79.331 -1.367 6.350 1.00 0.00 N ATOM 990 CA GLN A 61 79.657 -0.195 5.498 1.00 0.00 C ATOM 991 C GLN A 61 78.617 0.896 5.708 1.00 0.00 C ATOM 992 O GLN A 61 78.427 1.768 4.883 1.00 0.00 O ATOM 993 CB GLN A 61 79.655 -0.616 4.036 1.00 0.00 C ATOM 994 CG GLN A 61 81.082 -0.571 3.484 1.00 0.00 C ATOM 995 CD GLN A 61 81.085 0.152 2.135 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.963 1.360 2.079 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.223 -0.541 1.038 1.00 0.00 N ATOM 0 H GLN A 61 78.705 -2.051 5.925 1.00 0.00 H new ATOM 0 HA GLN A 61 80.642 0.185 5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 61 79.249 -1.623 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 61 79.010 0.046 3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 61 81.739 -0.057 4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.470 -1.583 3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.325 -1.555 1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.228 -0.069 0.134 1.00 0.00 H new ATOM 1006 N ARG A 62 77.950 0.845 6.811 1.00 0.00 N ATOM 1007 CA ARG A 62 76.910 1.868 7.113 1.00 0.00 C ATOM 1008 C ARG A 62 76.998 2.265 8.584 1.00 0.00 C ATOM 1009 O ARG A 62 76.852 3.418 8.938 1.00 0.00 O ATOM 1010 CB ARG A 62 75.523 1.289 6.822 1.00 0.00 C ATOM 1011 CG ARG A 62 74.499 2.425 6.760 1.00 0.00 C ATOM 1012 CD ARG A 62 73.241 1.943 6.031 1.00 0.00 C ATOM 1013 NE ARG A 62 73.035 0.491 6.300 1.00 0.00 N ATOM 1014 CZ ARG A 62 72.623 0.096 7.473 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.461 0.485 7.922 1.00 0.00 N ATOM 1016 NH2 ARG A 62 73.373 -0.686 8.200 1.00 0.00 N ATOM 0 H ARG A 62 78.076 0.133 7.531 1.00 0.00 H new ATOM 0 HA ARG A 62 77.074 2.747 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.535 0.744 5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 62 75.245 0.576 7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.244 2.754 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 62 74.925 3.284 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.374 2.512 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.341 2.114 4.959 1.00 0.00 H new ATOM 0 HE ARG A 62 73.216 -0.194 5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.875 1.098 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 62 71.139 0.176 8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 62 74.282 -0.989 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 62 73.050 -0.994 9.117 1.00 0.00 H new ATOM 1030 N ARG A 63 77.240 1.319 9.439 1.00 0.00 N ATOM 1031 CA ARG A 63 77.343 1.632 10.889 1.00 0.00 C ATOM 1032 C ARG A 63 78.567 2.518 11.123 1.00 0.00 C ATOM 1033 O ARG A 63 78.465 3.610 11.646 1.00 0.00 O ATOM 1034 CB ARG A 63 77.490 0.334 11.685 1.00 0.00 C ATOM 1035 CG ARG A 63 76.103 -0.196 12.056 1.00 0.00 C ATOM 1036 CD ARG A 63 76.183 -0.953 13.384 1.00 0.00 C ATOM 1037 NE ARG A 63 75.298 -2.149 13.328 1.00 0.00 N ATOM 1038 CZ ARG A 63 74.958 -2.760 14.430 1.00 0.00 C ATOM 1039 NH1 ARG A 63 75.671 -2.602 15.512 1.00 0.00 N ATOM 1040 NH2 ARG A 63 73.904 -3.532 14.451 1.00 0.00 N ATOM 0 H ARG A 63 77.372 0.337 9.197 1.00 0.00 H new ATOM 0 HA ARG A 63 76.444 2.153 11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 63 78.029 -0.408 11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 63 78.076 0.512 12.586 1.00 0.00 H new ATOM 0 HG2 ARG A 63 75.397 0.630 12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 63 75.732 -0.855 11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 63 77.211 -1.257 13.580 1.00 0.00 H new ATOM 0 HD3 ARG A 63 75.881 -0.302 14.205 1.00 0.00 H new ATOM 0 HE ARG A 63 74.958 -2.491 12.429 1.00 0.00 H new ATOM 0 HH11 ARG A 63 76.495 -2.001 15.497 1.00 0.00 H new ATOM 0 HH12 ARG A 63 75.404 -3.080 16.373 1.00 0.00 H new ATOM 0 HH21 ARG A 63 73.347 -3.657 13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 63 73.639 -4.009 15.312 1.00 0.00 H new ATOM 1054 N ARG A 64 79.723 2.055 10.737 1.00 0.00 N ATOM 1055 CA ARG A 64 80.952 2.863 10.933 1.00 0.00 C ATOM 1056 C ARG A 64 81.151 3.789 9.730 1.00 0.00 C ATOM 1057 O ARG A 64 82.167 4.442 9.599 1.00 0.00 O ATOM 1058 CB ARG A 64 82.160 1.933 11.068 1.00 0.00 C ATOM 1059 CG ARG A 64 82.104 1.215 12.418 1.00 0.00 C ATOM 1060 CD ARG A 64 83.493 1.220 13.058 1.00 0.00 C ATOM 1061 NE ARG A 64 84.135 -0.110 12.865 1.00 0.00 N ATOM 1062 CZ ARG A 64 85.402 -0.268 13.132 1.00 0.00 C ATOM 1063 NH1 ARG A 64 85.791 -0.459 14.363 1.00 0.00 N ATOM 1064 NH2 ARG A 64 86.282 -0.236 12.168 1.00 0.00 N ATOM 0 H ARG A 64 79.867 1.148 10.293 1.00 0.00 H new ATOM 0 HA ARG A 64 80.853 3.461 11.839 1.00 0.00 H new ATOM 0 HB2 ARG A 64 82.164 1.205 10.257 1.00 0.00 H new ATOM 0 HB3 ARG A 64 83.084 2.506 10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 64 81.388 1.709 13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 64 81.758 0.190 12.283 1.00 0.00 H new ATOM 0 HD2 ARG A 64 84.108 2.001 12.611 1.00 0.00 H new ATOM 0 HD3 ARG A 64 83.414 1.446 14.121 1.00 0.00 H new ATOM 0 HE ARG A 64 83.584 -0.898 12.524 1.00 0.00 H new ATOM 0 HH11 ARG A 64 85.104 -0.485 15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 64 86.782 -0.583 14.571 1.00 0.00 H new ATOM 0 HH21 ARG A 64 85.979 -0.087 11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 64 87.273 -0.360 12.377 1.00 0.00 H new ATOM 1078 N LEU A 65 80.189 3.851 8.847 1.00 0.00 N ATOM 1079 CA LEU A 65 80.329 4.733 7.655 1.00 0.00 C ATOM 1080 C LEU A 65 80.691 6.145 8.107 1.00 0.00 C ATOM 1081 O LEU A 65 81.495 6.820 7.495 1.00 0.00 O ATOM 1082 CB LEU A 65 79.008 4.765 6.883 1.00 0.00 C ATOM 1083 CG LEU A 65 79.049 5.886 5.843 1.00 0.00 C ATOM 1084 CD1 LEU A 65 78.842 5.295 4.448 1.00 0.00 C ATOM 1085 CD2 LEU A 65 77.936 6.895 6.138 1.00 0.00 C ATOM 0 H LEU A 65 79.314 3.329 8.901 1.00 0.00 H new ATOM 0 HA LEU A 65 81.116 4.346 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.838 3.806 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.177 4.923 7.570 1.00 0.00 H new ATOM 0 HG LEU A 65 80.016 6.387 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 65 78.871 6.093 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 65 79.633 4.575 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 65 77.875 4.795 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 65 77.964 7.694 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 65 76.969 6.393 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 65 78.081 7.316 7.133 1.00 0.00 H new ATOM 1097 N LEU A 66 80.100 6.595 9.172 1.00 0.00 N ATOM 1098 CA LEU A 66 80.400 7.963 9.672 1.00 0.00 C ATOM 1099 C LEU A 66 81.868 8.040 10.098 1.00 0.00 C ATOM 1100 O LEU A 66 82.517 9.055 9.943 1.00 0.00 O ATOM 1101 CB LEU A 66 79.503 8.276 10.871 1.00 0.00 C ATOM 1102 CG LEU A 66 79.395 7.040 11.765 1.00 0.00 C ATOM 1103 CD1 LEU A 66 79.738 7.419 13.206 1.00 0.00 C ATOM 1104 CD2 LEU A 66 77.966 6.495 11.708 1.00 0.00 C ATOM 0 H LEU A 66 79.418 6.073 9.722 1.00 0.00 H new ATOM 0 HA LEU A 66 80.213 8.688 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.913 9.112 11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.513 8.578 10.529 1.00 0.00 H new ATOM 0 HG LEU A 66 80.091 6.277 11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 66 79.661 6.537 13.842 1.00 0.00 H new ATOM 0 HD12 LEU A 66 80.755 7.808 13.248 1.00 0.00 H new ATOM 0 HD13 LEU A 66 79.043 8.182 13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 66 77.887 5.614 12.345 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.271 7.259 12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.721 6.224 10.681 1.00 0.00 H new ATOM 1116 N ARG A 67 82.394 6.975 10.637 1.00 0.00 N ATOM 1117 CA ARG A 67 83.817 6.985 11.077 1.00 0.00 C ATOM 1118 C ARG A 67 84.721 7.345 9.895 1.00 0.00 C ATOM 1119 O ARG A 67 85.872 7.694 10.068 1.00 0.00 O ATOM 1120 CB ARG A 67 84.196 5.600 11.604 1.00 0.00 C ATOM 1121 CG ARG A 67 85.499 5.695 12.400 1.00 0.00 C ATOM 1122 CD ARG A 67 86.282 4.389 12.257 1.00 0.00 C ATOM 1123 NE ARG A 67 86.766 3.950 13.595 1.00 0.00 N ATOM 1124 CZ ARG A 67 88.045 3.790 13.807 1.00 0.00 C ATOM 1125 NH1 ARG A 67 88.790 4.820 14.103 1.00 0.00 N ATOM 1126 NH2 ARG A 67 88.575 2.601 13.725 1.00 0.00 N ATOM 0 H ARG A 67 81.899 6.097 10.792 1.00 0.00 H new ATOM 0 HA ARG A 67 83.945 7.725 11.867 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.399 5.209 12.237 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.315 4.903 10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 67 86.098 6.531 12.039 1.00 0.00 H new ATOM 0 HG3 ARG A 67 85.282 5.888 13.451 1.00 0.00 H new ATOM 0 HD2 ARG A 67 85.648 3.619 11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 67 87.126 4.531 11.582 1.00 0.00 H new ATOM 0 HE ARG A 67 86.099 3.774 14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 67 88.373 5.749 14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 67 89.789 4.696 14.269 1.00 0.00 H new ATOM 0 HH21 ARG A 67 87.991 1.797 13.495 1.00 0.00 H new ATOM 0 HH22 ARG A 67 89.574 2.475 13.890 1.00 0.00 H new ATOM 1140 N TYR A 68 84.215 7.259 8.695 1.00 0.00 N ATOM 1141 CA TYR A 68 85.048 7.590 7.512 1.00 0.00 C ATOM 1142 C TYR A 68 84.644 8.959 6.959 1.00 0.00 C ATOM 1143 O TYR A 68 85.303 9.952 7.193 1.00 0.00 O ATOM 1144 CB TYR A 68 84.848 6.524 6.433 1.00 0.00 C ATOM 1145 CG TYR A 68 85.896 5.447 6.586 1.00 0.00 C ATOM 1146 CD1 TYR A 68 87.197 5.665 6.119 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.565 4.231 7.196 1.00 0.00 C ATOM 1148 CE1 TYR A 68 88.168 4.667 6.261 1.00 0.00 C ATOM 1149 CE2 TYR A 68 86.536 3.232 7.337 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.838 3.450 6.870 1.00 0.00 C ATOM 1151 OH TYR A 68 88.795 2.466 7.010 1.00 0.00 O ATOM 0 H TYR A 68 83.259 6.973 8.486 1.00 0.00 H new ATOM 0 HA TYR A 68 86.097 7.618 7.808 1.00 0.00 H new ATOM 0 HB2 TYR A 68 83.851 6.090 6.516 1.00 0.00 H new ATOM 0 HB3 TYR A 68 84.918 6.976 5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 68 87.452 6.603 5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.561 4.064 7.558 1.00 0.00 H new ATOM 0 HE1 TYR A 68 89.172 4.836 5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 68 86.281 2.293 7.806 1.00 0.00 H new ATOM 0 HH TYR A 68 88.400 1.687 7.454 1.00 0.00 H new ATOM 1161 N LEU A 69 83.569 9.015 6.222 1.00 0.00 N ATOM 1162 CA LEU A 69 83.127 10.316 5.648 1.00 0.00 C ATOM 1163 C LEU A 69 82.769 11.284 6.776 1.00 0.00 C ATOM 1164 O LEU A 69 83.407 12.301 6.959 1.00 0.00 O ATOM 1165 CB LEU A 69 81.901 10.091 4.761 1.00 0.00 C ATOM 1166 CG LEU A 69 81.624 11.355 3.946 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.558 11.397 2.736 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.172 11.344 3.465 1.00 0.00 C ATOM 0 H LEU A 69 82.978 8.216 5.993 1.00 0.00 H new ATOM 0 HA LEU A 69 83.936 10.740 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 69 82.071 9.245 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.035 9.844 5.375 1.00 0.00 H new ATOM 0 HG LEU A 69 81.795 12.233 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.361 12.298 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.594 11.404 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.386 10.519 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.974 12.245 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.002 10.466 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.504 11.313 4.326 1.00 0.00 H new ATOM 1180 N GLN A 70 81.752 10.980 7.533 1.00 0.00 N ATOM 1181 CA GLN A 70 81.359 11.887 8.644 1.00 0.00 C ATOM 1182 C GLN A 70 82.599 12.256 9.459 1.00 0.00 C ATOM 1183 O GLN A 70 82.651 13.284 10.105 1.00 0.00 O ATOM 1184 CB GLN A 70 80.354 11.172 9.547 1.00 0.00 C ATOM 1185 CG GLN A 70 80.002 12.072 10.731 1.00 0.00 C ATOM 1186 CD GLN A 70 81.084 11.953 11.807 1.00 0.00 C ATOM 1187 OE1 GLN A 70 81.956 11.111 11.716 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.065 12.765 12.828 1.00 0.00 N ATOM 0 H GLN A 70 81.177 10.144 7.430 1.00 0.00 H new ATOM 0 HA GLN A 70 80.907 12.791 8.237 1.00 0.00 H new ATOM 0 HB2 GLN A 70 79.454 10.926 8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 70 80.774 10.232 9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 70 79.916 13.107 10.401 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.034 11.787 11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.333 13.471 12.904 1.00 0.00 H new ATOM 0 HE22 GLN A 70 81.782 12.693 13.550 1.00 0.00 H new ATOM 1197 N ARG A 71 83.595 11.414 9.439 1.00 0.00 N ATOM 1198 CA ARG A 71 84.835 11.691 10.215 1.00 0.00 C ATOM 1199 C ARG A 71 85.647 12.791 9.528 1.00 0.00 C ATOM 1200 O ARG A 71 86.172 13.680 10.170 1.00 0.00 O ATOM 1201 CB ARG A 71 85.676 10.417 10.301 1.00 0.00 C ATOM 1202 CG ARG A 71 85.537 9.808 11.697 1.00 0.00 C ATOM 1203 CD ARG A 71 85.910 10.853 12.750 1.00 0.00 C ATOM 1204 NE ARG A 71 86.402 10.166 13.977 1.00 0.00 N ATOM 1205 CZ ARG A 71 87.680 10.130 14.238 1.00 0.00 C ATOM 1206 NH1 ARG A 71 88.424 9.187 13.726 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.215 11.036 15.008 1.00 0.00 N ATOM 0 H ARG A 71 83.602 10.539 8.914 1.00 0.00 H new ATOM 0 HA ARG A 71 84.563 12.021 11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.350 9.701 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 71 86.722 10.644 10.094 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.514 9.466 11.856 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.183 8.935 11.791 1.00 0.00 H new ATOM 0 HD2 ARG A 71 86.679 11.520 12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 71 85.044 11.470 12.988 1.00 0.00 H new ATOM 0 HE ARG A 71 85.739 9.723 14.614 1.00 0.00 H new ATOM 0 HH11 ARG A 71 88.006 8.479 13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.423 9.158 13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 71 87.634 11.774 15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 71 89.214 11.007 15.211 1.00 0.00 H new ATOM 1221 N GLU A 72 85.758 12.740 8.227 1.00 0.00 N ATOM 1222 CA GLU A 72 86.539 13.781 7.505 1.00 0.00 C ATOM 1223 C GLU A 72 85.644 14.964 7.167 1.00 0.00 C ATOM 1224 O GLU A 72 85.949 15.778 6.318 1.00 0.00 O ATOM 1225 CB GLU A 72 87.098 13.190 6.220 1.00 0.00 C ATOM 1226 CG GLU A 72 88.203 12.192 6.556 1.00 0.00 C ATOM 1227 CD GLU A 72 89.065 11.946 5.317 1.00 0.00 C ATOM 1228 OE1 GLU A 72 89.243 12.877 4.549 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.534 10.830 5.156 1.00 0.00 O ATOM 0 H GLU A 72 85.341 12.022 7.635 1.00 0.00 H new ATOM 0 HA GLU A 72 87.355 14.121 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.305 12.695 5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.491 13.983 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.819 12.576 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.768 11.254 6.901 1.00 0.00 H new ATOM 1236 N ASP A 73 84.546 15.053 7.830 1.00 0.00 N ATOM 1237 CA ASP A 73 83.594 16.169 7.581 1.00 0.00 C ATOM 1238 C ASP A 73 82.274 15.875 8.302 1.00 0.00 C ATOM 1239 O ASP A 73 81.558 14.969 7.921 1.00 0.00 O ATOM 1240 CB ASP A 73 83.336 16.289 6.078 1.00 0.00 C ATOM 1241 CG ASP A 73 84.104 17.489 5.521 1.00 0.00 C ATOM 1242 OD1 ASP A 73 83.746 18.605 5.858 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.039 17.270 4.768 1.00 0.00 O ATOM 0 H ASP A 73 84.253 14.393 8.550 1.00 0.00 H new ATOM 0 HA ASP A 73 84.016 17.102 7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.649 15.376 5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.269 16.408 5.890 1.00 0.00 H new ATOM 1248 N PRO A 74 81.983 16.647 9.319 1.00 0.00 N ATOM 1249 CA PRO A 74 80.747 16.483 10.100 1.00 0.00 C ATOM 1250 C PRO A 74 79.563 17.027 9.309 1.00 0.00 C ATOM 1251 O PRO A 74 78.442 16.580 9.453 1.00 0.00 O ATOM 1252 CB PRO A 74 81.004 17.302 11.367 1.00 0.00 C ATOM 1253 CG PRO A 74 82.106 18.325 11.005 1.00 0.00 C ATOM 1254 CD PRO A 74 82.847 17.753 9.780 1.00 0.00 C ATOM 0 HA PRO A 74 80.508 15.445 10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 74 80.096 17.808 11.694 1.00 0.00 H new ATOM 0 HB3 PRO A 74 81.324 16.660 12.187 1.00 0.00 H new ATOM 0 HG2 PRO A 74 81.672 19.298 10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 74 82.791 18.470 11.840 1.00 0.00 H new ATOM 0 HD2 PRO A 74 82.976 18.508 9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 74 83.842 17.397 10.047 1.00 0.00 H new ATOM 1262 N GLU A 75 79.812 17.977 8.457 1.00 0.00 N ATOM 1263 CA GLU A 75 78.715 18.540 7.633 1.00 0.00 C ATOM 1264 C GLU A 75 78.405 17.550 6.515 1.00 0.00 C ATOM 1265 O GLU A 75 77.264 17.314 6.179 1.00 0.00 O ATOM 1266 CB GLU A 75 79.151 19.879 7.034 1.00 0.00 C ATOM 1267 CG GLU A 75 77.917 20.662 6.582 1.00 0.00 C ATOM 1268 CD GLU A 75 77.476 21.610 7.699 1.00 0.00 C ATOM 1269 OE1 GLU A 75 77.773 21.320 8.846 1.00 0.00 O ATOM 1270 OE2 GLU A 75 76.848 22.608 7.388 1.00 0.00 O ATOM 0 H GLU A 75 80.731 18.388 8.296 1.00 0.00 H new ATOM 0 HA GLU A 75 77.829 18.706 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 75 79.710 20.455 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 75 79.818 19.711 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 75 78.143 21.228 5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 75 77.108 19.975 6.333 1.00 0.00 H new ATOM 1277 N ARG A 76 79.419 16.954 5.947 1.00 0.00 N ATOM 1278 CA ARG A 76 79.186 15.964 4.865 1.00 0.00 C ATOM 1279 C ARG A 76 78.384 14.796 5.438 1.00 0.00 C ATOM 1280 O ARG A 76 77.795 14.019 4.714 1.00 0.00 O ATOM 1281 CB ARG A 76 80.529 15.458 4.334 1.00 0.00 C ATOM 1282 CG ARG A 76 81.236 16.586 3.580 1.00 0.00 C ATOM 1283 CD ARG A 76 82.232 15.989 2.585 1.00 0.00 C ATOM 1284 NE ARG A 76 81.719 16.174 1.199 1.00 0.00 N ATOM 1285 CZ ARG A 76 82.552 16.400 0.219 1.00 0.00 C ATOM 1286 NH1 ARG A 76 83.213 17.524 0.171 1.00 0.00 N ATOM 1287 NH2 ARG A 76 82.722 15.502 -0.712 1.00 0.00 N ATOM 0 H ARG A 76 80.397 17.112 6.188 1.00 0.00 H new ATOM 0 HA ARG A 76 78.635 16.427 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.151 15.112 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.373 14.606 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 76 80.505 17.200 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 76 81.754 17.238 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 76 83.203 16.472 2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 76 82.378 14.929 2.792 1.00 0.00 H new ATOM 0 HE ARG A 76 80.717 16.124 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 76 83.079 18.226 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 76 83.864 17.701 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 76 82.204 14.624 -0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 76 83.372 15.678 -1.478 1.00 0.00 H new ATOM 1301 N TYR A 77 78.356 14.673 6.740 1.00 0.00 N ATOM 1302 CA TYR A 77 77.591 13.569 7.370 1.00 0.00 C ATOM 1303 C TYR A 77 76.124 13.987 7.497 1.00 0.00 C ATOM 1304 O TYR A 77 75.512 13.818 8.533 1.00 0.00 O ATOM 1305 CB TYR A 77 78.142 13.289 8.768 1.00 0.00 C ATOM 1306 CG TYR A 77 77.352 12.170 9.403 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.141 10.977 8.700 1.00 0.00 C ATOM 1308 CD2 TYR A 77 76.829 12.324 10.693 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.408 9.938 9.288 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.097 11.285 11.280 1.00 0.00 C ATOM 1311 CZ TYR A 77 75.887 10.093 10.577 1.00 0.00 C ATOM 1312 OH TYR A 77 75.165 9.069 11.157 1.00 0.00 O ATOM 0 H TYR A 77 78.834 15.295 7.392 1.00 0.00 H new ATOM 0 HA TYR A 77 77.679 12.674 6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.196 13.017 8.708 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.080 14.187 9.382 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.543 10.858 7.705 1.00 0.00 H new ATOM 0 HD2 TYR A 77 76.990 13.244 11.235 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.245 9.018 8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 77 75.694 11.403 12.275 1.00 0.00 H new ATOM 0 HH TYR A 77 74.876 9.339 12.054 1.00 0.00 H new ATOM 1322 N ARG A 78 75.556 14.551 6.466 1.00 0.00 N ATOM 1323 CA ARG A 78 74.145 14.997 6.555 1.00 0.00 C ATOM 1324 C ARG A 78 73.406 14.700 5.250 1.00 0.00 C ATOM 1325 O ARG A 78 72.354 15.249 4.989 1.00 0.00 O ATOM 1326 CB ARG A 78 74.122 16.503 6.824 1.00 0.00 C ATOM 1327 CG ARG A 78 74.721 17.237 5.623 1.00 0.00 C ATOM 1328 CD ARG A 78 73.656 17.407 4.542 1.00 0.00 C ATOM 1329 NE ARG A 78 73.802 18.745 3.902 1.00 0.00 N ATOM 1330 CZ ARG A 78 72.792 19.279 3.271 1.00 0.00 C ATOM 1331 NH1 ARG A 78 72.164 18.601 2.351 1.00 0.00 N ATOM 1332 NH2 ARG A 78 72.411 20.494 3.560 1.00 0.00 N ATOM 0 H ARG A 78 76.011 14.720 5.569 1.00 0.00 H new ATOM 0 HA ARG A 78 73.648 14.461 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 78 73.099 16.838 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.690 16.732 7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 78 75.099 18.212 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 78 75.568 16.677 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 78 73.755 16.622 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 78 72.662 17.308 4.978 1.00 0.00 H new ATOM 0 HE ARG A 78 74.690 19.243 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 78 72.462 17.652 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 78 71.375 19.019 1.859 1.00 0.00 H new ATOM 0 HH21 ARG A 78 72.903 21.025 4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 78 71.622 20.912 3.067 1.00 0.00 H new ATOM 1346 N ALA A 79 73.937 13.844 4.425 1.00 0.00 N ATOM 1347 CA ALA A 79 73.245 13.540 3.150 1.00 0.00 C ATOM 1348 C ALA A 79 73.123 12.036 2.959 1.00 0.00 C ATOM 1349 O ALA A 79 72.041 11.505 2.805 1.00 0.00 O ATOM 1350 CB ALA A 79 74.026 14.152 1.991 1.00 0.00 C ATOM 0 H ALA A 79 74.814 13.346 4.579 1.00 0.00 H new ATOM 0 HA ALA A 79 72.242 13.967 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.518 13.929 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.087 15.232 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.032 13.732 1.968 1.00 0.00 H new ATOM 1356 N LEU A 80 74.216 11.343 2.978 1.00 0.00 N ATOM 1357 CA LEU A 80 74.151 9.868 2.809 1.00 0.00 C ATOM 1358 C LEU A 80 73.412 9.269 4.000 1.00 0.00 C ATOM 1359 O LEU A 80 73.058 8.108 4.003 1.00 0.00 O ATOM 1360 CB LEU A 80 75.567 9.295 2.725 1.00 0.00 C ATOM 1361 CG LEU A 80 75.859 8.864 1.286 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.234 10.089 0.451 1.00 0.00 C ATOM 1363 CD2 LEU A 80 77.021 7.868 1.278 1.00 0.00 C ATOM 0 H LEU A 80 75.152 11.729 3.103 1.00 0.00 H new ATOM 0 HA LEU A 80 73.621 9.622 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.293 10.042 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.667 8.444 3.398 1.00 0.00 H new ATOM 0 HG LEU A 80 74.972 8.393 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 80 76.442 9.781 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 80 75.407 10.800 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.120 10.561 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.230 7.560 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.907 8.339 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.755 6.994 1.872 1.00 0.00 H new ATOM 1375 N ILE A 81 73.147 10.056 5.003 1.00 0.00 N ATOM 1376 CA ILE A 81 72.404 9.529 6.166 1.00 0.00 C ATOM 1377 C ILE A 81 70.924 9.510 5.777 1.00 0.00 C ATOM 1378 O ILE A 81 70.159 8.653 6.170 1.00 0.00 O ATOM 1379 CB ILE A 81 72.668 10.411 7.412 1.00 0.00 C ATOM 1380 CG1 ILE A 81 71.460 11.299 7.729 1.00 0.00 C ATOM 1381 CG2 ILE A 81 73.889 11.288 7.194 1.00 0.00 C ATOM 1382 CD1 ILE A 81 70.453 10.494 8.549 1.00 0.00 C ATOM 0 H ILE A 81 73.414 11.039 5.063 1.00 0.00 H new ATOM 0 HA ILE A 81 72.728 8.522 6.428 1.00 0.00 H new ATOM 0 HB ILE A 81 72.844 9.743 8.255 1.00 0.00 H new ATOM 0 HG12 ILE A 81 71.777 12.182 8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 81 70.999 11.651 6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.060 11.901 8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 81 74.761 10.659 7.014 1.00 0.00 H new ATOM 0 HG23 ILE A 81 73.724 11.934 6.332 1.00 0.00 H new ATOM 0 HD11 ILE A 81 69.590 11.118 8.779 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.130 9.625 7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 81 70.920 10.164 9.477 1.00 0.00 H new ATOM 1394 N GLU A 82 70.521 10.452 4.985 1.00 0.00 N ATOM 1395 CA GLU A 82 69.107 10.493 4.553 1.00 0.00 C ATOM 1396 C GLU A 82 68.921 9.681 3.264 1.00 0.00 C ATOM 1397 O GLU A 82 67.812 9.493 2.805 1.00 0.00 O ATOM 1398 CB GLU A 82 68.687 11.944 4.310 1.00 0.00 C ATOM 1399 CG GLU A 82 67.855 12.441 5.493 1.00 0.00 C ATOM 1400 CD GLU A 82 66.412 11.957 5.341 1.00 0.00 C ATOM 1401 OE1 GLU A 82 66.224 10.866 4.828 1.00 0.00 O ATOM 1402 OE2 GLU A 82 65.518 12.686 5.739 1.00 0.00 O ATOM 0 H GLU A 82 71.111 11.198 4.617 1.00 0.00 H new ATOM 0 HA GLU A 82 68.486 10.059 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.569 12.572 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.108 12.017 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.277 12.073 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 82 67.882 13.530 5.538 1.00 0.00 H new ATOM 1409 N LYS A 83 69.984 9.202 2.662 1.00 0.00 N ATOM 1410 CA LYS A 83 69.815 8.424 1.408 1.00 0.00 C ATOM 1411 C LYS A 83 70.371 7.002 1.565 1.00 0.00 C ATOM 1412 O LYS A 83 70.866 6.421 0.620 1.00 0.00 O ATOM 1413 CB LYS A 83 70.550 9.135 0.270 1.00 0.00 C ATOM 1414 CG LYS A 83 69.790 10.407 -0.111 1.00 0.00 C ATOM 1415 CD LYS A 83 69.885 10.627 -1.622 1.00 0.00 C ATOM 1416 CE LYS A 83 68.483 10.592 -2.233 1.00 0.00 C ATOM 1417 NZ LYS A 83 67.680 11.729 -1.702 1.00 0.00 N ATOM 0 H LYS A 83 70.945 9.317 2.984 1.00 0.00 H new ATOM 0 HA LYS A 83 68.751 8.355 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.566 9.384 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.631 8.475 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.746 10.323 0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.206 11.264 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 83 70.360 11.585 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 83 70.509 9.856 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 83 68.547 10.654 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 83 67.995 9.647 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 66.984 12.025 -2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 67.184 11.430 -0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 68.310 12.526 -1.481 1.00 0.00 H new ATOM 1431 N LEU A 84 70.303 6.431 2.740 1.00 0.00 N ATOM 1432 CA LEU A 84 70.837 5.053 2.918 1.00 0.00 C ATOM 1433 C LEU A 84 70.021 4.272 3.954 1.00 0.00 C ATOM 1434 O LEU A 84 69.378 3.291 3.642 1.00 0.00 O ATOM 1435 CB LEU A 84 72.291 5.132 3.379 1.00 0.00 C ATOM 1436 CG LEU A 84 73.075 6.021 2.420 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.488 6.237 2.966 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.161 5.346 1.049 1.00 0.00 C ATOM 0 H LEU A 84 69.904 6.857 3.576 1.00 0.00 H new ATOM 0 HA LEU A 84 70.769 4.532 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.343 5.534 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.730 4.135 3.410 1.00 0.00 H new ATOM 0 HG LEU A 84 72.569 6.981 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.050 6.872 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.431 6.717 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.991 5.275 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.722 5.983 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.667 4.385 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.156 5.189 0.657 1.00 0.00 H new ATOM 1450 N GLY A 85 70.066 4.687 5.187 1.00 0.00 N ATOM 1451 CA GLY A 85 69.319 3.958 6.257 1.00 0.00 C ATOM 1452 C GLY A 85 70.156 3.992 7.536 1.00 0.00 C ATOM 1453 O GLY A 85 70.425 2.982 8.156 1.00 0.00 O ATOM 0 H GLY A 85 70.589 5.503 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.348 4.423 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.130 2.928 5.954 1.00 0.00 H new ATOM 1457 N ILE A 86 70.589 5.159 7.903 1.00 0.00 N ATOM 1458 CA ILE A 86 71.439 5.343 9.097 1.00 0.00 C ATOM 1459 C ILE A 86 70.564 5.538 10.348 1.00 0.00 C ATOM 1460 O ILE A 86 70.247 4.590 11.038 1.00 0.00 O ATOM 1461 CB ILE A 86 72.293 6.580 8.812 1.00 0.00 C ATOM 1462 CG1 ILE A 86 72.857 7.190 10.078 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.443 7.625 8.112 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.334 6.088 11.024 1.00 0.00 C ATOM 0 H ILE A 86 70.379 6.023 7.403 1.00 0.00 H new ATOM 0 HA ILE A 86 72.067 4.474 9.292 1.00 0.00 H new ATOM 0 HB ILE A 86 73.126 6.264 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 86 73.686 7.854 9.833 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.096 7.797 10.569 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.048 8.508 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.065 7.218 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 86 70.604 7.900 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 86 73.738 6.537 11.931 1.00 0.00 H new ATOM 0 HD12 ILE A 86 72.495 5.441 11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.110 5.499 10.535 1.00 0.00 H new ATOM 1476 N ARG A 87 70.169 6.745 10.648 1.00 0.00 N ATOM 1477 CA ARG A 87 69.331 6.988 11.830 1.00 0.00 C ATOM 1478 C ARG A 87 67.889 7.201 11.375 1.00 0.00 C ATOM 1479 O ARG A 87 67.311 6.378 10.694 1.00 0.00 O ATOM 1480 CB ARG A 87 69.872 8.222 12.555 1.00 0.00 C ATOM 1481 CG ARG A 87 71.268 7.920 13.105 1.00 0.00 C ATOM 1482 CD ARG A 87 71.215 7.879 14.634 1.00 0.00 C ATOM 1483 NE ARG A 87 72.315 8.715 15.192 1.00 0.00 N ATOM 1484 CZ ARG A 87 72.819 8.434 16.362 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.149 7.206 16.652 1.00 0.00 N ATOM 1486 NH2 ARG A 87 72.993 9.382 17.242 1.00 0.00 N ATOM 0 H ARG A 87 70.401 7.579 10.108 1.00 0.00 H new ATOM 0 HA ARG A 87 69.353 6.139 12.514 1.00 0.00 H new ATOM 0 HB2 ARG A 87 69.915 9.069 11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 87 69.202 8.502 13.368 1.00 0.00 H new ATOM 0 HG2 ARG A 87 71.625 6.966 12.717 1.00 0.00 H new ATOM 0 HG3 ARG A 87 71.974 8.683 12.775 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.251 8.246 14.985 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.311 6.851 14.984 1.00 0.00 H new ATOM 0 HE ARG A 87 72.674 9.507 14.659 1.00 0.00 H new ATOM 0 HH11 ARG A 87 73.013 6.465 15.964 1.00 0.00 H new ATOM 0 HH12 ARG A 87 73.543 6.986 17.567 1.00 0.00 H new ATOM 0 HH21 ARG A 87 72.735 10.342 17.015 1.00 0.00 H new ATOM 0 HH22 ARG A 87 73.387 9.163 18.157 1.00 0.00 H new ATOM 1500 N GLY A 88 67.313 8.290 11.748 1.00 0.00 N ATOM 1501 CA GLY A 88 65.906 8.577 11.347 1.00 0.00 C ATOM 1502 C GLY A 88 65.339 9.687 12.233 1.00 0.00 C ATOM 1503 O GLY A 88 65.264 10.812 11.766 1.00 0.00 O ATOM 1504 OXT GLY A 88 64.988 9.394 13.365 1.00 0.00 O ATOM 0 H GLY A 88 67.753 9.010 12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 88 65.869 8.878 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 88 65.299 7.677 11.441 1.00 0.00 H new TER 1508 GLY A 88