USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 849 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 22 TYR OH : rot 50:sc= 0.471 USER MOD Set 1.2: A 80 HIS : no HD1:sc= 0 X(o=0.47,f=0.46) USER MOD Set 2.1: A 48 THR OG1 : rot -80:sc= 0.899 USER MOD Set 2.2: A 53 ASN : amide:sc= -1.2! X(o=-0.3!,f=0.079) USER MOD Set 3.1: A 1 GLN : amide:sc= 0.108 K(o=1.5,f=0.62) USER MOD Set 3.2: A 24 SER OG : rot 73:sc= 1.44 USER MOD Single : A 1 GLN N :NH3+ -174:sc= 0.365 (180deg=0.344) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 1.38 (180deg=1.38) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= -1.21! (180deg=-2.76!) USER MOD Single : A 31 ASN : amide:sc= -2.26! X(o=-2.3!,f=-2.4) USER MOD Single : A 33 SER OG : rot 180:sc= -0.315 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0841) USER MOD Single : A 43 SER OG : rot 82:sc= 1.29 USER MOD Single : A 49 LYS NZ :NH3+ 171:sc=-0.00907 (180deg=-0.0894) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -124:sc= 0.47 USER MOD Single : A 58 TYR OH : rot -15:sc= 0.752 USER MOD Single : A 62 THR OG1 : rot 160:sc= -0.849 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0257 (180deg=-0.205) USER MOD Single : A 71 SER OG : rot -83:sc= 1.22 USER MOD Single : A 74 THR OG1 : rot -7:sc= -1.65! USER MOD Single : A 77 MET CE :methyl 160:sc= -0.767 (180deg=-0.778) USER MOD Single : A 78 SER OG : rot 180:sc= -0.117 USER MOD Single : A 81 MET CE :methyl -142:sc= -0.996 (180deg=-2.64!) USER MOD Single : A 84 MET CE :methyl -147:sc= -3.39! (180deg=-4.77!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 142:sc= -0.743 (180deg=-2.06!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -168:sc=-0.00348 (180deg=-0.199) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 96 GLN : amide:sc= 0.081 X(o=0.081,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 150:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.049 4.305 11.751 1.00 0.00 N ATOM 2 CA GLN A 1 -8.700 3.706 11.679 1.00 0.00 C ATOM 3 C GLN A 1 -7.727 4.664 10.998 1.00 0.00 C ATOM 4 O GLN A 1 -7.957 5.129 9.879 1.00 0.00 O ATOM 5 CB GLN A 1 -8.743 2.354 10.952 1.00 0.00 C ATOM 6 CG GLN A 1 -9.384 2.405 9.575 1.00 0.00 C ATOM 7 CD GLN A 1 -9.416 1.053 8.891 1.00 0.00 C ATOM 8 OE1 GLN A 1 -9.513 0.014 9.544 1.00 0.00 O ATOM 9 NE2 GLN A 1 -9.332 1.060 7.570 1.00 0.00 N ATOM 0 H1 GLN A 1 -10.674 3.686 12.306 1.00 0.00 H new ATOM 0 H2 GLN A 1 -9.991 5.238 12.208 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.432 4.413 10.790 1.00 0.00 H new ATOM 0 HA GLN A 1 -8.346 3.528 12.695 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -7.726 1.976 10.853 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.290 1.640 11.568 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.402 2.785 9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -8.836 3.110 8.950 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -9.253 1.945 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -9.346 0.181 7.053 1.00 0.00 H new ATOM 20 N GLU A 2 -6.637 4.957 11.696 1.00 0.00 N ATOM 21 CA GLU A 2 -5.642 5.922 11.246 1.00 0.00 C ATOM 22 C GLU A 2 -4.266 5.393 11.610 1.00 0.00 C ATOM 23 O GLU A 2 -4.129 4.230 11.984 1.00 0.00 O ATOM 24 CB GLU A 2 -5.825 7.296 11.917 1.00 0.00 C ATOM 25 CG GLU A 2 -7.139 8.011 11.625 1.00 0.00 C ATOM 26 CD GLU A 2 -8.301 7.501 12.454 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.221 7.556 13.700 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.298 7.029 11.868 1.00 0.00 O ATOM 0 H GLU A 2 -6.417 4.529 12.596 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.756 6.051 10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.736 7.166 12.996 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.005 7.943 11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.012 9.078 11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.379 7.896 10.568 1.00 0.00 H new ATOM 35 N ALA A 3 -3.255 6.231 11.496 1.00 0.00 N ATOM 36 CA ALA A 3 -1.968 5.922 12.077 1.00 0.00 C ATOM 37 C ALA A 3 -1.643 6.956 13.148 1.00 0.00 C ATOM 38 O ALA A 3 -2.001 6.764 14.311 1.00 0.00 O ATOM 39 CB ALA A 3 -0.882 5.847 11.016 1.00 0.00 C ATOM 0 H ALA A 3 -3.301 7.126 11.009 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.012 4.937 12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.072 5.613 11.488 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.131 5.068 10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.808 6.806 10.503 1.00 0.00 H new ATOM 45 N GLY A 4 -1.033 8.068 12.753 1.00 0.00 N ATOM 46 CA GLY A 4 -0.670 9.107 13.706 1.00 0.00 C ATOM 47 C GLY A 4 0.221 8.591 14.820 1.00 0.00 C ATOM 48 O GLY A 4 1.434 8.449 14.642 1.00 0.00 O ATOM 0 H GLY A 4 -0.781 8.271 11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.159 9.914 13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.576 9.532 14.138 1.00 0.00 H new ATOM 52 N GLY A 5 -0.383 8.320 15.973 1.00 0.00 N ATOM 53 CA GLY A 5 0.337 7.705 17.069 1.00 0.00 C ATOM 54 C GLY A 5 0.715 6.274 16.749 1.00 0.00 C ATOM 55 O GLY A 5 1.699 5.747 17.269 1.00 0.00 O ATOM 0 H GLY A 5 -1.365 8.518 16.167 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.237 8.281 17.284 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.278 7.728 17.969 1.00 0.00 H new ATOM 59 N ARG A 6 -0.082 5.647 15.896 1.00 0.00 N ATOM 60 CA ARG A 6 0.217 4.319 15.391 1.00 0.00 C ATOM 61 C ARG A 6 1.360 4.400 14.387 1.00 0.00 C ATOM 62 O ARG A 6 1.431 5.332 13.586 1.00 0.00 O ATOM 63 CB ARG A 6 -1.028 3.701 14.748 1.00 0.00 C ATOM 64 CG ARG A 6 -2.034 3.185 15.760 1.00 0.00 C ATOM 65 CD ARG A 6 -3.362 2.831 15.114 1.00 0.00 C ATOM 66 NE ARG A 6 -4.226 4.001 14.948 1.00 0.00 N ATOM 67 CZ ARG A 6 -5.555 3.942 14.937 1.00 0.00 C ATOM 68 NH1 ARG A 6 -6.169 2.767 14.986 1.00 0.00 N ATOM 69 NH2 ARG A 6 -6.268 5.058 14.854 1.00 0.00 N ATOM 0 H ARG A 6 -0.950 6.044 15.537 1.00 0.00 H new ATOM 0 HA ARG A 6 0.521 3.679 16.220 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.510 4.447 14.115 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.723 2.881 14.098 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.628 2.305 16.259 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.195 3.941 16.529 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.180 2.375 14.141 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.874 2.087 15.724 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.784 4.913 14.834 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.622 1.907 15.032 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.188 2.723 14.978 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.797 5.961 14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.287 5.013 14.846 1.00 0.00 H new ATOM 83 N PRO A 7 2.259 3.416 14.399 1.00 0.00 N ATOM 84 CA PRO A 7 3.482 3.454 13.633 1.00 0.00 C ATOM 85 C PRO A 7 3.287 2.850 12.259 1.00 0.00 C ATOM 86 O PRO A 7 3.503 1.653 12.062 1.00 0.00 O ATOM 87 CB PRO A 7 4.442 2.595 14.473 1.00 0.00 C ATOM 88 CG PRO A 7 3.588 1.872 15.479 1.00 0.00 C ATOM 89 CD PRO A 7 2.154 2.153 15.118 1.00 0.00 C ATOM 0 HA PRO A 7 3.844 4.467 13.459 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.984 1.889 13.844 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.187 3.217 14.970 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.789 0.801 15.457 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.806 2.217 16.490 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.729 1.365 14.497 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.521 2.239 16.001 1.00 0.00 H new ATOM 97 N GLY A 8 2.852 3.664 11.309 1.00 0.00 N ATOM 98 CA GLY A 8 2.681 3.153 9.975 1.00 0.00 C ATOM 99 C GLY A 8 4.020 3.005 9.291 1.00 0.00 C ATOM 100 O GLY A 8 4.212 2.142 8.440 1.00 0.00 O ATOM 0 H GLY A 8 2.620 4.649 11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.175 2.188 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.044 3.826 9.400 1.00 0.00 H new ATOM 104 N ALA A 9 4.943 3.875 9.692 1.00 0.00 N ATOM 105 CA ALA A 9 6.306 3.877 9.195 1.00 0.00 C ATOM 106 C ALA A 9 7.160 4.781 10.077 1.00 0.00 C ATOM 107 O ALA A 9 7.656 4.363 11.124 1.00 0.00 O ATOM 108 CB ALA A 9 6.347 4.348 7.746 1.00 0.00 C ATOM 0 H ALA A 9 4.758 4.605 10.380 1.00 0.00 H new ATOM 0 HA ALA A 9 6.703 2.862 9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.377 4.343 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.747 3.679 7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.946 5.359 7.681 1.00 0.00 H new ATOM 114 N ASP A 10 7.287 6.026 9.654 1.00 0.00 N ATOM 115 CA ASP A 10 7.888 7.086 10.451 1.00 0.00 C ATOM 116 C ASP A 10 7.505 8.404 9.814 1.00 0.00 C ATOM 117 O ASP A 10 7.102 9.345 10.497 1.00 0.00 O ATOM 118 CB ASP A 10 9.409 6.957 10.546 1.00 0.00 C ATOM 119 CG ASP A 10 10.020 8.031 11.428 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.135 7.809 12.654 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.389 9.102 10.902 1.00 0.00 O ATOM 0 H ASP A 10 6.972 6.336 8.735 1.00 0.00 H new ATOM 0 HA ASP A 10 7.517 7.020 11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.665 5.974 10.942 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.841 7.020 9.547 1.00 0.00 H new ATOM 126 N CYS A 11 7.604 8.449 8.486 1.00 0.00 N ATOM 127 CA CYS A 11 6.998 9.527 7.716 1.00 0.00 C ATOM 128 C CYS A 11 5.487 9.539 7.960 1.00 0.00 C ATOM 129 O CYS A 11 4.943 8.578 8.500 1.00 0.00 O ATOM 130 CB CYS A 11 7.301 9.368 6.225 1.00 0.00 C ATOM 131 SG CYS A 11 9.058 9.568 5.786 1.00 0.00 S ATOM 0 H CYS A 11 8.096 7.753 7.926 1.00 0.00 H new ATOM 0 HA CYS A 11 7.422 10.477 8.042 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.969 8.381 5.903 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.715 10.099 5.668 1.00 0.00 H new ATOM 136 N GLU A 12 4.802 10.596 7.567 1.00 0.00 N ATOM 137 CA GLU A 12 3.420 10.790 7.999 1.00 0.00 C ATOM 138 C GLU A 12 2.403 10.152 7.051 1.00 0.00 C ATOM 139 O GLU A 12 1.879 9.085 7.343 1.00 0.00 O ATOM 140 CB GLU A 12 3.140 12.288 8.145 1.00 0.00 C ATOM 141 CG GLU A 12 1.728 12.633 8.584 1.00 0.00 C ATOM 142 CD GLU A 12 1.508 14.129 8.656 1.00 0.00 C ATOM 143 OE1 GLU A 12 1.121 14.731 7.631 1.00 0.00 O ATOM 144 OE2 GLU A 12 1.743 14.714 9.735 1.00 0.00 O ATOM 0 H GLU A 12 5.168 11.328 6.958 1.00 0.00 H new ATOM 0 HA GLU A 12 3.305 10.288 8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.842 12.706 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.337 12.775 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.014 12.194 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.533 12.190 9.561 1.00 0.00 H new ATOM 151 N VAL A 13 2.131 10.797 5.919 1.00 0.00 N ATOM 152 CA VAL A 13 1.037 10.372 5.046 1.00 0.00 C ATOM 153 C VAL A 13 1.178 8.901 4.654 1.00 0.00 C ATOM 154 O VAL A 13 0.208 8.134 4.678 1.00 0.00 O ATOM 155 CB VAL A 13 0.947 11.248 3.775 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.211 10.807 2.891 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.790 12.709 4.154 1.00 0.00 C ATOM 0 H VAL A 13 2.648 11.610 5.585 1.00 0.00 H new ATOM 0 HA VAL A 13 0.115 10.496 5.614 1.00 0.00 H new ATOM 0 HB VAL A 13 1.872 11.126 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.253 11.439 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.065 9.769 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.146 10.897 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.728 13.315 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.120 12.837 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.649 13.026 4.745 1.00 0.00 H new ATOM 167 N CYS A 14 2.401 8.510 4.336 1.00 0.00 N ATOM 168 CA CYS A 14 2.695 7.140 3.945 1.00 0.00 C ATOM 169 C CYS A 14 2.419 6.155 5.082 1.00 0.00 C ATOM 170 O CYS A 14 1.938 5.046 4.841 1.00 0.00 O ATOM 171 CB CYS A 14 4.147 7.038 3.491 1.00 0.00 C ATOM 172 SG CYS A 14 4.741 5.344 3.198 1.00 0.00 S ATOM 0 H CYS A 14 3.213 9.127 4.341 1.00 0.00 H new ATOM 0 HA CYS A 14 2.036 6.873 3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.267 7.613 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.782 7.505 4.244 1.00 0.00 H new ATOM 177 N LYS A 15 2.686 6.563 6.325 1.00 0.00 N ATOM 178 CA LYS A 15 2.491 5.660 7.453 1.00 0.00 C ATOM 179 C LYS A 15 1.006 5.413 7.660 1.00 0.00 C ATOM 180 O LYS A 15 0.595 4.313 8.026 1.00 0.00 O ATOM 181 CB LYS A 15 3.119 6.192 8.757 1.00 0.00 C ATOM 182 CG LYS A 15 2.301 7.255 9.481 1.00 0.00 C ATOM 183 CD LYS A 15 2.432 7.154 10.995 1.00 0.00 C ATOM 184 CE LYS A 15 3.859 7.364 11.476 1.00 0.00 C ATOM 185 NZ LYS A 15 4.356 8.732 11.178 1.00 0.00 N ATOM 0 H LYS A 15 3.030 7.492 6.569 1.00 0.00 H new ATOM 0 HA LYS A 15 2.999 4.727 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.277 5.353 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.101 6.605 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.625 8.244 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.252 7.156 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.783 7.895 11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.084 6.174 11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.908 7.187 12.550 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.512 6.631 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.313 8.846 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.383 8.875 10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.721 9.434 11.609 1.00 0.00 H new ATOM 199 N GLU A 16 0.212 6.449 7.418 1.00 0.00 N ATOM 200 CA GLU A 16 -1.230 6.348 7.522 1.00 0.00 C ATOM 201 C GLU A 16 -1.731 5.245 6.608 1.00 0.00 C ATOM 202 O GLU A 16 -2.401 4.311 7.051 1.00 0.00 O ATOM 203 CB GLU A 16 -1.895 7.671 7.137 1.00 0.00 C ATOM 204 CG GLU A 16 -1.411 8.867 7.940 1.00 0.00 C ATOM 205 CD GLU A 16 -1.654 8.719 9.424 1.00 0.00 C ATOM 206 OE1 GLU A 16 -2.818 8.498 9.827 1.00 0.00 O ATOM 207 OE2 GLU A 16 -0.681 8.823 10.197 1.00 0.00 O ATOM 0 H GLU A 16 0.550 7.372 7.147 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.487 6.116 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.715 7.861 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.973 7.574 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.345 9.008 7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.914 9.765 7.583 1.00 0.00 H new ATOM 214 N PHE A 17 -1.379 5.346 5.330 1.00 0.00 N ATOM 215 CA PHE A 17 -1.839 4.381 4.344 1.00 0.00 C ATOM 216 C PHE A 17 -1.439 2.957 4.715 1.00 0.00 C ATOM 217 O PHE A 17 -2.302 2.082 4.815 1.00 0.00 O ATOM 218 CB PHE A 17 -1.308 4.706 2.950 1.00 0.00 C ATOM 219 CG PHE A 17 -1.702 3.672 1.935 1.00 0.00 C ATOM 220 CD1 PHE A 17 -2.990 3.637 1.430 1.00 0.00 C ATOM 221 CD2 PHE A 17 -0.791 2.719 1.509 1.00 0.00 C ATOM 222 CE1 PHE A 17 -3.363 2.671 0.519 1.00 0.00 C ATOM 223 CE2 PHE A 17 -1.157 1.753 0.594 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.446 1.727 0.101 1.00 0.00 C ATOM 0 H PHE A 17 -0.780 6.083 4.957 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.927 4.448 4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.685 5.680 2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.221 4.781 2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.711 4.374 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.217 2.732 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.371 2.653 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.437 1.019 0.264 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.737 0.969 -0.611 1.00 0.00 H new ATOM 234 N LEU A 18 -0.143 2.727 4.934 1.00 0.00 N ATOM 235 CA LEU A 18 0.342 1.375 5.161 1.00 0.00 C ATOM 236 C LEU A 18 -0.288 0.771 6.404 1.00 0.00 C ATOM 237 O LEU A 18 -0.644 -0.396 6.394 1.00 0.00 O ATOM 238 CB LEU A 18 1.873 1.331 5.267 1.00 0.00 C ATOM 239 CG LEU A 18 2.633 1.725 4.000 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.121 1.786 4.284 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.359 0.738 2.878 1.00 0.00 C ATOM 0 H LEU A 18 0.576 3.450 4.958 1.00 0.00 H new ATOM 0 HA LEU A 18 0.048 0.780 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.183 1.993 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.171 0.321 5.549 1.00 0.00 H new ATOM 0 HG LEU A 18 2.288 2.710 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.654 2.067 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.313 2.526 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.468 0.809 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.910 1.038 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.679 -0.258 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.292 0.725 2.657 1.00 0.00 H new ATOM 253 N ASN A 19 -0.464 1.570 7.454 1.00 0.00 N ATOM 254 CA ASN A 19 -0.999 1.047 8.708 1.00 0.00 C ATOM 255 C ASN A 19 -2.433 0.552 8.532 1.00 0.00 C ATOM 256 O ASN A 19 -2.725 -0.607 8.835 1.00 0.00 O ATOM 257 CB ASN A 19 -0.931 2.092 9.823 1.00 0.00 C ATOM 258 CG ASN A 19 -1.194 1.479 11.188 1.00 0.00 C ATOM 259 OD1 ASN A 19 -2.326 1.461 11.673 1.00 0.00 O ATOM 260 ND2 ASN A 19 -0.146 0.957 11.810 1.00 0.00 N ATOM 0 H ASN A 19 -0.248 2.567 7.463 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.376 0.201 8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.052 2.564 9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.662 2.877 9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.261 0.520 12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.775 0.992 11.374 1.00 0.00 H new ATOM 267 N ARG A 20 -3.327 1.416 8.037 1.00 0.00 N ATOM 268 CA ARG A 20 -4.704 1.004 7.756 1.00 0.00 C ATOM 269 C ARG A 20 -4.749 -0.222 6.857 1.00 0.00 C ATOM 270 O ARG A 20 -5.349 -1.228 7.216 1.00 0.00 O ATOM 271 CB ARG A 20 -5.516 2.118 7.095 1.00 0.00 C ATOM 272 CG ARG A 20 -6.225 3.030 8.075 1.00 0.00 C ATOM 273 CD ARG A 20 -5.326 4.145 8.559 1.00 0.00 C ATOM 274 NE ARG A 20 -4.886 4.997 7.462 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.630 5.949 6.898 1.00 0.00 C ATOM 276 NH1 ARG A 20 -6.853 6.207 7.349 1.00 0.00 N ATOM 277 NH2 ARG A 20 -5.136 6.646 5.882 1.00 0.00 N ATOM 0 H ARG A 20 -3.124 2.393 7.825 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.146 0.767 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.851 2.717 6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.256 1.670 6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.109 3.456 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.572 2.447 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.857 4.747 9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.457 3.720 9.061 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.943 4.855 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.230 5.675 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.415 6.937 6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.195 6.451 5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.697 7.376 5.444 1.00 0.00 H new ATOM 291 N PHE A 21 -4.105 -0.126 5.698 1.00 0.00 N ATOM 292 CA PHE A 21 -4.095 -1.204 4.708 1.00 0.00 C ATOM 293 C PHE A 21 -3.666 -2.518 5.343 1.00 0.00 C ATOM 294 O PHE A 21 -4.337 -3.544 5.217 1.00 0.00 O ATOM 295 CB PHE A 21 -3.122 -0.828 3.589 1.00 0.00 C ATOM 296 CG PHE A 21 -2.927 -1.882 2.536 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.877 -2.089 1.547 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.779 -2.659 2.529 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.684 -3.053 0.575 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.582 -3.622 1.563 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.534 -3.821 0.584 1.00 0.00 C ATOM 0 H PHE A 21 -3.575 0.699 5.416 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.101 -1.335 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.479 0.083 3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.154 -0.596 4.033 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.776 -1.491 1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.029 -2.508 3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.430 -3.206 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.683 -4.221 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.381 -4.575 -0.174 1.00 0.00 H new ATOM 311 N TYR A 22 -2.552 -2.438 6.037 1.00 0.00 N ATOM 312 CA TYR A 22 -1.931 -3.567 6.700 1.00 0.00 C ATOM 313 C TYR A 22 -2.918 -4.277 7.627 1.00 0.00 C ATOM 314 O TYR A 22 -3.168 -5.472 7.478 1.00 0.00 O ATOM 315 CB TYR A 22 -0.739 -3.016 7.477 1.00 0.00 C ATOM 316 CG TYR A 22 0.204 -4.024 8.081 1.00 0.00 C ATOM 317 CD1 TYR A 22 1.034 -4.791 7.276 1.00 0.00 C ATOM 318 CD2 TYR A 22 0.309 -4.163 9.458 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.943 -5.670 7.825 1.00 0.00 C ATOM 320 CE2 TYR A 22 1.210 -5.048 10.016 1.00 0.00 C ATOM 321 CZ TYR A 22 2.026 -5.796 9.195 1.00 0.00 C ATOM 322 OH TYR A 22 2.943 -6.659 9.745 1.00 0.00 O ATOM 0 H TYR A 22 -2.039 -1.565 6.160 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.608 -4.313 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.166 -2.373 6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.120 -2.384 8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.967 -4.698 6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.323 -3.570 10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.586 -6.256 7.186 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.275 -5.153 11.089 1.00 0.00 H new ATOM 0 HH TYR A 22 3.825 -6.493 9.352 1.00 0.00 H new ATOM 332 N LYS A 23 -3.516 -3.536 8.554 1.00 0.00 N ATOM 333 CA LYS A 23 -4.409 -4.141 9.533 1.00 0.00 C ATOM 334 C LYS A 23 -5.767 -4.483 8.918 1.00 0.00 C ATOM 335 O LYS A 23 -6.371 -5.485 9.281 1.00 0.00 O ATOM 336 CB LYS A 23 -4.553 -3.243 10.776 1.00 0.00 C ATOM 337 CG LYS A 23 -5.047 -1.828 10.501 1.00 0.00 C ATOM 338 CD LYS A 23 -6.568 -1.727 10.481 1.00 0.00 C ATOM 339 CE LYS A 23 -7.174 -1.746 11.884 1.00 0.00 C ATOM 340 NZ LYS A 23 -7.055 -3.077 12.543 1.00 0.00 N ATOM 0 H LYS A 23 -3.400 -2.527 8.647 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.962 -5.081 9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.241 -3.722 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.586 -3.182 11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.653 -1.156 11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.652 -1.490 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.861 -0.808 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.976 -2.555 9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.679 -0.995 12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.226 -1.467 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.761 -3.153 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.219 -3.827 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.102 -3.181 12.945 1.00 0.00 H new ATOM 354 N SER A 24 -6.228 -3.667 7.975 1.00 0.00 N ATOM 355 CA SER A 24 -7.508 -3.904 7.304 1.00 0.00 C ATOM 356 C SER A 24 -7.514 -5.268 6.623 1.00 0.00 C ATOM 357 O SER A 24 -8.460 -6.048 6.758 1.00 0.00 O ATOM 358 CB SER A 24 -7.773 -2.797 6.277 1.00 0.00 C ATOM 359 OG SER A 24 -7.951 -1.544 6.917 1.00 0.00 O ATOM 0 H SER A 24 -5.735 -2.833 7.656 1.00 0.00 H new ATOM 0 HA SER A 24 -8.300 -3.892 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.939 -2.737 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.661 -3.041 5.694 1.00 0.00 H new ATOM 0 HG SER A 24 -7.086 -1.217 7.242 1.00 0.00 H new ATOM 365 N LEU A 25 -6.437 -5.554 5.915 1.00 0.00 N ATOM 366 CA LEU A 25 -6.275 -6.825 5.236 1.00 0.00 C ATOM 367 C LEU A 25 -6.157 -7.966 6.233 1.00 0.00 C ATOM 368 O LEU A 25 -6.802 -8.996 6.072 1.00 0.00 O ATOM 369 CB LEU A 25 -5.048 -6.760 4.338 1.00 0.00 C ATOM 370 CG LEU A 25 -5.360 -6.581 2.857 1.00 0.00 C ATOM 371 CD1 LEU A 25 -6.388 -5.479 2.656 1.00 0.00 C ATOM 372 CD2 LEU A 25 -4.086 -6.285 2.087 1.00 0.00 C ATOM 0 H LEU A 25 -5.652 -4.913 5.795 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.157 -7.017 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.416 -5.935 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.470 -7.675 4.467 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.785 -7.508 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.597 -5.366 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.307 -5.739 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.997 -4.541 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.321 -6.159 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.634 -5.370 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.387 -7.113 2.207 1.00 0.00 H new ATOM 384 N ILE A 26 -5.356 -7.776 7.275 1.00 0.00 N ATOM 385 CA ILE A 26 -5.216 -8.789 8.317 1.00 0.00 C ATOM 386 C ILE A 26 -6.568 -9.071 8.980 1.00 0.00 C ATOM 387 O ILE A 26 -6.893 -10.219 9.285 1.00 0.00 O ATOM 388 CB ILE A 26 -4.187 -8.369 9.395 1.00 0.00 C ATOM 389 CG1 ILE A 26 -2.803 -8.151 8.771 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.107 -9.408 10.508 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.248 -9.367 8.059 1.00 0.00 C ATOM 0 H ILE A 26 -4.796 -6.936 7.422 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.852 -9.696 7.835 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.524 -7.427 9.828 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.861 -7.324 8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.106 -7.852 9.554 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.377 -9.089 11.252 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.084 -9.512 10.980 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.802 -10.367 10.089 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.267 -9.131 7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.155 -10.192 8.766 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.922 -9.655 7.252 1.00 0.00 H new ATOM 403 N ASP A 27 -7.359 -8.019 9.179 1.00 0.00 N ATOM 404 CA ASP A 27 -8.694 -8.152 9.748 1.00 0.00 C ATOM 405 C ASP A 27 -9.598 -8.960 8.827 1.00 0.00 C ATOM 406 O ASP A 27 -10.400 -9.773 9.283 1.00 0.00 O ATOM 407 CB ASP A 27 -9.323 -6.776 9.989 1.00 0.00 C ATOM 408 CG ASP A 27 -8.813 -6.088 11.241 1.00 0.00 C ATOM 409 OD1 ASP A 27 -8.916 -6.678 12.336 1.00 0.00 O ATOM 410 OD2 ASP A 27 -8.331 -4.939 11.142 1.00 0.00 O ATOM 0 H ASP A 27 -7.094 -7.060 8.952 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.594 -8.673 10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.124 -6.139 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.405 -6.887 10.060 1.00 0.00 H new ATOM 415 N ARG A 28 -9.463 -8.731 7.528 1.00 0.00 N ATOM 416 CA ARG A 28 -10.288 -9.420 6.546 1.00 0.00 C ATOM 417 C ARG A 28 -9.736 -10.802 6.199 1.00 0.00 C ATOM 418 O ARG A 28 -10.435 -11.623 5.608 1.00 0.00 O ATOM 419 CB ARG A 28 -10.446 -8.579 5.279 1.00 0.00 C ATOM 420 CG ARG A 28 -11.580 -7.573 5.362 1.00 0.00 C ATOM 421 CD ARG A 28 -11.918 -6.997 3.997 1.00 0.00 C ATOM 422 NE ARG A 28 -10.884 -6.094 3.496 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.434 -6.095 2.243 1.00 0.00 C ATOM 424 NH1 ARG A 28 -10.822 -7.031 1.387 1.00 0.00 N ATOM 425 NH2 ARG A 28 -9.581 -5.162 1.847 1.00 0.00 N ATOM 0 H ARG A 28 -8.791 -8.075 7.130 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.269 -9.561 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.513 -8.049 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.619 -9.242 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.463 -8.053 5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.302 -6.766 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.058 -7.812 3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.865 -6.461 4.057 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.482 -5.420 4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.471 -7.759 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.472 -7.023 0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.270 -4.444 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.235 -5.161 0.887 1.00 0.00 H new ATOM 439 N GLY A 29 -8.487 -11.057 6.567 1.00 0.00 N ATOM 440 CA GLY A 29 -7.857 -12.327 6.247 1.00 0.00 C ATOM 441 C GLY A 29 -7.217 -12.281 4.878 1.00 0.00 C ATOM 442 O GLY A 29 -6.861 -13.306 4.293 1.00 0.00 O ATOM 0 H GLY A 29 -7.896 -10.406 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.103 -12.563 6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.599 -13.124 6.279 1.00 0.00 H new ATOM 446 N VAL A 30 -7.067 -11.067 4.392 1.00 0.00 N ATOM 447 CA VAL A 30 -6.537 -10.789 3.079 1.00 0.00 C ATOM 448 C VAL A 30 -5.042 -10.543 3.163 1.00 0.00 C ATOM 449 O VAL A 30 -4.629 -9.498 3.643 1.00 0.00 O ATOM 450 CB VAL A 30 -7.185 -9.509 2.523 1.00 0.00 C ATOM 451 CG1 VAL A 30 -6.730 -9.239 1.114 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.696 -9.571 2.607 1.00 0.00 C ATOM 0 H VAL A 30 -7.317 -10.227 4.914 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.747 -11.643 2.435 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.856 -8.677 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.204 -8.329 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.647 -9.116 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.009 -10.077 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.121 -8.651 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.058 -10.420 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.998 -9.686 3.648 1.00 0.00 H new ATOM 462 N ASN A 31 -4.218 -11.480 2.728 1.00 0.00 N ATOM 463 CA ASN A 31 -2.793 -11.209 2.741 1.00 0.00 C ATOM 464 C ASN A 31 -1.974 -12.160 1.901 1.00 0.00 C ATOM 465 O ASN A 31 -1.227 -11.736 1.021 1.00 0.00 O ATOM 466 CB ASN A 31 -2.286 -11.190 4.168 1.00 0.00 C ATOM 467 CG ASN A 31 -1.023 -10.367 4.295 1.00 0.00 C ATOM 468 OD1 ASN A 31 -0.213 -10.581 5.194 1.00 0.00 O ATOM 469 ND2 ASN A 31 -0.856 -9.420 3.378 1.00 0.00 N ATOM 0 H ASN A 31 -4.494 -12.397 2.376 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.665 -10.229 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.055 -10.782 4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.092 -12.210 4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.024 -8.830 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.559 -9.283 2.652 1.00 0.00 H new ATOM 476 N PHE A 32 -2.110 -13.427 2.162 1.00 0.00 N ATOM 477 CA PHE A 32 -1.284 -14.420 1.487 1.00 0.00 C ATOM 478 C PHE A 32 -1.811 -14.689 0.079 1.00 0.00 C ATOM 479 O PHE A 32 -2.174 -15.812 -0.271 1.00 0.00 O ATOM 480 CB PHE A 32 -1.209 -15.711 2.301 1.00 0.00 C ATOM 481 CG PHE A 32 -0.033 -16.573 1.934 1.00 0.00 C ATOM 482 CD1 PHE A 32 1.242 -16.230 2.351 1.00 0.00 C ATOM 483 CD2 PHE A 32 -0.199 -17.719 1.174 1.00 0.00 C ATOM 484 CE1 PHE A 32 2.330 -17.012 2.017 1.00 0.00 C ATOM 485 CE2 PHE A 32 0.885 -18.506 0.836 1.00 0.00 C ATOM 486 CZ PHE A 32 2.151 -18.152 1.259 1.00 0.00 C ATOM 0 H PHE A 32 -2.778 -13.809 2.832 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.273 -14.022 1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.153 -15.462 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.128 -16.279 2.155 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.387 -15.340 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.187 -18.001 0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.319 -16.732 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.743 -19.397 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.000 -18.766 0.997 1.00 0.00 H new ATOM 496 N SER A 33 -1.859 -13.633 -0.717 1.00 0.00 N ATOM 497 CA SER A 33 -2.321 -13.696 -2.090 1.00 0.00 C ATOM 498 C SER A 33 -1.754 -12.507 -2.862 1.00 0.00 C ATOM 499 O SER A 33 -2.249 -11.385 -2.742 1.00 0.00 O ATOM 500 CB SER A 33 -3.852 -13.664 -2.134 1.00 0.00 C ATOM 501 OG SER A 33 -4.421 -14.615 -1.247 1.00 0.00 O ATOM 0 H SER A 33 -1.575 -12.699 -0.423 1.00 0.00 H new ATOM 0 HA SER A 33 -1.980 -14.626 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.203 -12.666 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.191 -13.865 -3.150 1.00 0.00 H new ATOM 0 HG SER A 33 -5.398 -14.567 -1.299 1.00 0.00 H new ATOM 507 N LEU A 34 -0.709 -12.764 -3.644 1.00 0.00 N ATOM 508 CA LEU A 34 -0.003 -11.721 -4.391 1.00 0.00 C ATOM 509 C LEU A 34 -0.949 -10.927 -5.288 1.00 0.00 C ATOM 510 O LEU A 34 -0.918 -9.698 -5.302 1.00 0.00 O ATOM 511 CB LEU A 34 1.109 -12.347 -5.239 1.00 0.00 C ATOM 512 CG LEU A 34 2.541 -12.002 -4.815 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.804 -10.515 -4.981 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.797 -12.431 -3.379 1.00 0.00 C ATOM 0 H LEU A 34 -0.326 -13.700 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 34 0.429 -11.031 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.993 -13.431 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.971 -12.035 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 34 3.228 -12.548 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.826 -10.290 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.668 -10.236 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.107 -9.951 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.819 -12.176 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.101 -11.917 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.654 -13.508 -3.290 1.00 0.00 H new ATOM 526 N ASP A 35 -1.797 -11.639 -6.024 1.00 0.00 N ATOM 527 CA ASP A 35 -2.753 -11.003 -6.929 1.00 0.00 C ATOM 528 C ASP A 35 -3.761 -10.179 -6.144 1.00 0.00 C ATOM 529 O ASP A 35 -4.263 -9.159 -6.620 1.00 0.00 O ATOM 530 CB ASP A 35 -3.499 -12.052 -7.760 1.00 0.00 C ATOM 531 CG ASP A 35 -2.604 -12.780 -8.742 1.00 0.00 C ATOM 532 OD1 ASP A 35 -2.459 -12.298 -9.885 1.00 0.00 O ATOM 533 OD2 ASP A 35 -2.064 -13.851 -8.381 1.00 0.00 O ATOM 0 H ASP A 35 -1.843 -12.658 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.193 -10.351 -7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.959 -12.778 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.308 -11.566 -8.306 1.00 0.00 H new ATOM 538 N THR A 36 -4.037 -10.628 -4.934 1.00 0.00 N ATOM 539 CA THR A 36 -5.010 -9.984 -4.074 1.00 0.00 C ATOM 540 C THR A 36 -4.456 -8.707 -3.465 1.00 0.00 C ATOM 541 O THR A 36 -5.121 -7.675 -3.486 1.00 0.00 O ATOM 542 CB THR A 36 -5.474 -10.954 -2.970 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.168 -12.062 -3.559 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.368 -10.272 -1.951 1.00 0.00 C ATOM 0 H THR A 36 -3.593 -11.448 -4.521 1.00 0.00 H new ATOM 0 HA THR A 36 -5.869 -9.711 -4.687 1.00 0.00 H new ATOM 0 HB THR A 36 -4.586 -11.306 -2.446 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.460 -12.677 -2.854 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.671 -10.993 -1.192 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.823 -9.455 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.253 -9.877 -2.450 1.00 0.00 H new ATOM 552 N ILE A 37 -3.235 -8.764 -2.947 1.00 0.00 N ATOM 553 CA ILE A 37 -2.601 -7.572 -2.395 1.00 0.00 C ATOM 554 C ILE A 37 -2.515 -6.506 -3.477 1.00 0.00 C ATOM 555 O ILE A 37 -2.648 -5.311 -3.212 1.00 0.00 O ATOM 556 CB ILE A 37 -1.185 -7.863 -1.848 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.203 -9.083 -0.924 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.642 -6.650 -1.105 1.00 0.00 C ATOM 559 CD1 ILE A 37 -2.161 -8.956 0.240 1.00 0.00 C ATOM 0 H ILE A 37 -2.669 -9.611 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.211 -7.226 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.531 -8.078 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.470 -9.964 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.197 -9.249 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.356 -6.872 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.591 -5.800 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.301 -6.409 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.116 -9.859 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.883 -8.095 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.175 -8.822 -0.136 1.00 0.00 H new ATOM 571 N GLU A 38 -2.324 -6.969 -4.707 1.00 0.00 N ATOM 572 CA GLU A 38 -2.275 -6.100 -5.865 1.00 0.00 C ATOM 573 C GLU A 38 -3.612 -5.390 -6.070 1.00 0.00 C ATOM 574 O GLU A 38 -3.666 -4.164 -6.195 1.00 0.00 O ATOM 575 CB GLU A 38 -1.895 -6.922 -7.100 1.00 0.00 C ATOM 576 CG GLU A 38 -1.730 -6.109 -8.370 1.00 0.00 C ATOM 577 CD GLU A 38 -1.231 -6.952 -9.524 1.00 0.00 C ATOM 578 OE1 GLU A 38 -2.056 -7.618 -10.179 1.00 0.00 O ATOM 579 OE2 GLU A 38 -0.012 -6.953 -9.778 1.00 0.00 O ATOM 0 H GLU A 38 -2.199 -7.958 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.519 -5.332 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.963 -7.449 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.660 -7.680 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.685 -5.658 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.031 -5.292 -8.189 1.00 0.00 H new ATOM 586 N LYS A 39 -4.689 -6.165 -6.075 1.00 0.00 N ATOM 587 CA LYS A 39 -6.027 -5.617 -6.252 1.00 0.00 C ATOM 588 C LYS A 39 -6.417 -4.716 -5.085 1.00 0.00 C ATOM 589 O LYS A 39 -7.044 -3.675 -5.279 1.00 0.00 O ATOM 590 CB LYS A 39 -7.052 -6.742 -6.396 1.00 0.00 C ATOM 591 CG LYS A 39 -7.008 -7.448 -7.741 1.00 0.00 C ATOM 592 CD LYS A 39 -7.386 -6.506 -8.877 1.00 0.00 C ATOM 593 CE LYS A 39 -8.777 -5.918 -8.681 1.00 0.00 C ATOM 594 NZ LYS A 39 -9.833 -6.966 -8.671 1.00 0.00 N ATOM 0 H LYS A 39 -4.661 -7.178 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.018 -5.018 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.885 -7.475 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.050 -6.332 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.007 -7.844 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.690 -8.298 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.655 -5.700 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.348 -7.044 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.807 -5.365 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.984 -5.204 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.770 -6.515 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.747 -7.554 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.722 -7.563 -7.827 1.00 0.00 H new ATOM 608 N GLU A 40 -6.038 -5.118 -3.883 1.00 0.00 N ATOM 609 CA GLU A 40 -6.408 -4.386 -2.679 1.00 0.00 C ATOM 610 C GLU A 40 -5.678 -3.058 -2.595 1.00 0.00 C ATOM 611 O GLU A 40 -6.271 -2.056 -2.206 1.00 0.00 O ATOM 612 CB GLU A 40 -6.141 -5.217 -1.424 1.00 0.00 C ATOM 613 CG GLU A 40 -6.993 -6.471 -1.337 1.00 0.00 C ATOM 614 CD GLU A 40 -8.466 -6.187 -1.549 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.065 -5.475 -0.718 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.036 -6.680 -2.545 1.00 0.00 O ATOM 0 H GLU A 40 -5.472 -5.950 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.478 -4.185 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.089 -5.500 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.324 -4.601 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.654 -7.189 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.852 -6.935 -0.361 1.00 0.00 H new ATOM 623 N LEU A 41 -4.396 -3.049 -2.956 1.00 0.00 N ATOM 624 CA LEU A 41 -3.650 -1.799 -3.028 1.00 0.00 C ATOM 625 C LEU A 41 -4.366 -0.829 -3.948 1.00 0.00 C ATOM 626 O LEU A 41 -4.734 0.267 -3.539 1.00 0.00 O ATOM 627 CB LEU A 41 -2.220 -2.031 -3.531 1.00 0.00 C ATOM 628 CG LEU A 41 -1.206 -2.434 -2.459 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.148 -2.708 -3.088 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.083 -1.341 -1.408 1.00 0.00 C ATOM 0 H LEU A 41 -3.860 -3.882 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.592 -1.380 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.243 -2.807 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.870 -1.119 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.559 -3.346 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.858 -2.994 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.056 -3.518 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.503 -1.810 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.358 -1.643 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.751 -0.417 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.052 -1.179 -0.936 1.00 0.00 H new ATOM 642 N ILE A 42 -4.609 -1.268 -5.173 1.00 0.00 N ATOM 643 CA ILE A 42 -5.310 -0.460 -6.160 1.00 0.00 C ATOM 644 C ILE A 42 -6.666 0.018 -5.631 1.00 0.00 C ATOM 645 O ILE A 42 -6.999 1.202 -5.722 1.00 0.00 O ATOM 646 CB ILE A 42 -5.500 -1.258 -7.470 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.160 -1.407 -8.197 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.539 -0.608 -8.368 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.236 -2.254 -9.451 1.00 0.00 C ATOM 0 H ILE A 42 -4.328 -2.189 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.700 0.420 -6.364 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.868 -2.251 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.788 -0.417 -8.460 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.434 -1.849 -7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.649 -1.194 -9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.495 -0.566 -7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.219 0.403 -8.622 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.249 -2.313 -9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.577 -3.257 -9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.936 -1.802 -10.153 1.00 0.00 H new ATOM 661 N SER A 43 -7.427 -0.900 -5.055 1.00 0.00 N ATOM 662 CA SER A 43 -8.754 -0.582 -4.556 1.00 0.00 C ATOM 663 C SER A 43 -8.695 0.431 -3.415 1.00 0.00 C ATOM 664 O SER A 43 -9.370 1.460 -3.459 1.00 0.00 O ATOM 665 CB SER A 43 -9.460 -1.855 -4.096 1.00 0.00 C ATOM 666 OG SER A 43 -9.567 -2.786 -5.161 1.00 0.00 O ATOM 0 H SER A 43 -7.147 -1.872 -4.922 1.00 0.00 H new ATOM 0 HA SER A 43 -9.320 -0.132 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.909 -2.303 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.453 -1.610 -3.721 1.00 0.00 H new ATOM 0 HG SER A 43 -8.725 -3.280 -5.249 1.00 0.00 H new ATOM 672 N PHE A 44 -7.867 0.151 -2.415 1.00 0.00 N ATOM 673 CA PHE A 44 -7.773 0.994 -1.228 1.00 0.00 C ATOM 674 C PHE A 44 -7.183 2.356 -1.589 1.00 0.00 C ATOM 675 O PHE A 44 -7.578 3.386 -1.039 1.00 0.00 O ATOM 676 CB PHE A 44 -6.909 0.302 -0.167 1.00 0.00 C ATOM 677 CG PHE A 44 -7.126 0.803 1.235 1.00 0.00 C ATOM 678 CD1 PHE A 44 -6.406 1.879 1.727 1.00 0.00 C ATOM 679 CD2 PHE A 44 -8.048 0.183 2.065 1.00 0.00 C ATOM 680 CE1 PHE A 44 -6.603 2.331 3.017 1.00 0.00 C ATOM 681 CE2 PHE A 44 -8.247 0.630 3.357 1.00 0.00 C ATOM 682 CZ PHE A 44 -7.525 1.705 3.834 1.00 0.00 C ATOM 0 H PHE A 44 -7.247 -0.659 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.773 1.149 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.112 -0.769 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.859 0.434 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.682 2.370 1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.617 -0.658 1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.037 3.173 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.968 0.138 3.994 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.680 2.056 4.843 1.00 0.00 H new ATOM 692 N CYS A 45 -6.252 2.352 -2.533 1.00 0.00 N ATOM 693 CA CYS A 45 -5.589 3.572 -2.968 1.00 0.00 C ATOM 694 C CYS A 45 -6.539 4.520 -3.682 1.00 0.00 C ATOM 695 O CYS A 45 -6.374 5.729 -3.606 1.00 0.00 O ATOM 696 CB CYS A 45 -4.409 3.241 -3.873 1.00 0.00 C ATOM 697 SG CYS A 45 -2.984 2.569 -2.970 1.00 0.00 S ATOM 0 H CYS A 45 -5.937 1.510 -3.015 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.230 4.078 -2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.727 2.520 -4.626 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.103 4.142 -4.404 1.00 0.00 H new ATOM 702 N LEU A 46 -7.504 3.978 -4.407 1.00 0.00 N ATOM 703 CA LEU A 46 -8.512 4.810 -5.053 1.00 0.00 C ATOM 704 C LEU A 46 -9.693 5.085 -4.118 1.00 0.00 C ATOM 705 O LEU A 46 -10.441 6.045 -4.309 1.00 0.00 O ATOM 706 CB LEU A 46 -8.994 4.169 -6.355 1.00 0.00 C ATOM 707 CG LEU A 46 -8.173 4.508 -7.607 1.00 0.00 C ATOM 708 CD1 LEU A 46 -8.127 6.012 -7.824 1.00 0.00 C ATOM 709 CD2 LEU A 46 -6.763 3.939 -7.513 1.00 0.00 C ATOM 0 H LEU A 46 -7.613 2.976 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.046 5.766 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.996 3.087 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.027 4.472 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.664 4.047 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.541 6.233 -8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.140 6.392 -7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.667 6.490 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.206 4.196 -8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.258 4.359 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.814 2.855 -7.415 1.00 0.00 H new ATOM 721 N ASP A 47 -9.850 4.239 -3.104 1.00 0.00 N ATOM 722 CA ASP A 47 -10.951 4.363 -2.144 1.00 0.00 C ATOM 723 C ASP A 47 -10.712 5.516 -1.174 1.00 0.00 C ATOM 724 O ASP A 47 -11.654 6.162 -0.709 1.00 0.00 O ATOM 725 CB ASP A 47 -11.117 3.058 -1.360 1.00 0.00 C ATOM 726 CG ASP A 47 -12.200 3.140 -0.302 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.373 2.844 -0.624 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.889 3.493 0.853 1.00 0.00 O ATOM 0 H ASP A 47 -9.225 3.453 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.862 4.569 -2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.354 2.251 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.170 2.802 -0.885 1.00 0.00 H new ATOM 733 N THR A 48 -9.446 5.766 -0.884 1.00 0.00 N ATOM 734 CA THR A 48 -9.044 6.803 0.049 1.00 0.00 C ATOM 735 C THR A 48 -9.304 8.202 -0.508 1.00 0.00 C ATOM 736 O THR A 48 -9.944 8.359 -1.552 1.00 0.00 O ATOM 737 CB THR A 48 -7.554 6.648 0.380 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.864 6.080 -0.741 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.358 5.765 1.604 1.00 0.00 C ATOM 0 H THR A 48 -8.665 5.252 -1.292 1.00 0.00 H new ATOM 0 HA THR A 48 -9.643 6.689 0.953 1.00 0.00 H new ATOM 0 HB THR A 48 -7.147 7.635 0.598 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.003 5.110 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.293 5.671 1.818 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.862 6.213 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.778 4.778 1.412 1.00 0.00 H new ATOM 747 N LYS A 49 -8.798 9.218 0.173 1.00 0.00 N ATOM 748 CA LYS A 49 -9.001 10.590 -0.262 1.00 0.00 C ATOM 749 C LYS A 49 -7.826 11.082 -1.082 1.00 0.00 C ATOM 750 O LYS A 49 -6.797 10.417 -1.150 1.00 0.00 O ATOM 751 CB LYS A 49 -9.224 11.501 0.940 1.00 0.00 C ATOM 752 CG LYS A 49 -10.392 11.078 1.813 1.00 0.00 C ATOM 753 CD LYS A 49 -10.498 11.955 3.051 1.00 0.00 C ATOM 754 CE LYS A 49 -11.709 11.597 3.899 1.00 0.00 C ATOM 755 NZ LYS A 49 -11.645 10.203 4.410 1.00 0.00 N ATOM 0 H LYS A 49 -8.246 9.119 1.025 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.889 10.615 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.317 11.520 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.394 12.519 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.318 11.138 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.269 10.037 2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.593 11.850 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.562 13.001 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.778 12.287 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.615 11.724 3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.407 10.052 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.759 9.538 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.725 10.043 4.867 1.00 0.00 H new ATOM 769 N GLY A 50 -7.985 12.255 -1.681 1.00 0.00 N ATOM 770 CA GLY A 50 -7.037 12.749 -2.665 1.00 0.00 C ATOM 771 C GLY A 50 -5.590 12.704 -2.218 1.00 0.00 C ATOM 772 O GLY A 50 -4.720 12.315 -2.996 1.00 0.00 O ATOM 0 H GLY A 50 -8.767 12.884 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.141 12.163 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.295 13.778 -2.916 1.00 0.00 H new ATOM 776 N LYS A 51 -5.325 13.088 -0.974 1.00 0.00 N ATOM 777 CA LYS A 51 -3.965 13.066 -0.442 1.00 0.00 C ATOM 778 C LYS A 51 -3.422 11.644 -0.438 1.00 0.00 C ATOM 779 O LYS A 51 -2.258 11.399 -0.753 1.00 0.00 O ATOM 780 CB LYS A 51 -3.937 13.612 0.986 1.00 0.00 C ATOM 781 CG LYS A 51 -2.811 14.598 1.246 1.00 0.00 C ATOM 782 CD LYS A 51 -2.907 15.803 0.322 1.00 0.00 C ATOM 783 CE LYS A 51 -1.853 16.846 0.649 1.00 0.00 C ATOM 784 NZ LYS A 51 -1.890 17.987 -0.302 1.00 0.00 N ATOM 0 H LYS A 51 -6.031 13.418 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.344 13.694 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.889 14.099 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.844 12.778 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.847 14.929 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.851 14.103 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.790 15.479 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.898 16.248 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.008 17.214 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.866 16.385 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.156 18.677 -0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.717 17.640 -1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.824 18.443 -0.261 1.00 0.00 H new ATOM 798 N GLU A 52 -4.297 10.716 -0.097 1.00 0.00 N ATOM 799 CA GLU A 52 -3.936 9.319 0.049 1.00 0.00 C ATOM 800 C GLU A 52 -3.886 8.637 -1.318 1.00 0.00 C ATOM 801 O GLU A 52 -3.038 7.777 -1.562 1.00 0.00 O ATOM 802 CB GLU A 52 -4.951 8.638 0.963 1.00 0.00 C ATOM 803 CG GLU A 52 -5.241 9.436 2.227 1.00 0.00 C ATOM 804 CD GLU A 52 -6.364 8.852 3.057 1.00 0.00 C ATOM 805 OE1 GLU A 52 -7.517 8.821 2.576 1.00 0.00 O ATOM 806 OE2 GLU A 52 -6.102 8.438 4.206 1.00 0.00 O ATOM 0 H GLU A 52 -5.281 10.911 0.087 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.944 9.239 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.881 8.485 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.578 7.652 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.337 9.484 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.496 10.460 1.952 1.00 0.00 H new ATOM 813 N ASN A 53 -4.788 9.035 -2.212 1.00 0.00 N ATOM 814 CA ASN A 53 -4.767 8.541 -3.587 1.00 0.00 C ATOM 815 C ASN A 53 -3.468 8.999 -4.246 1.00 0.00 C ATOM 816 O ASN A 53 -2.792 8.228 -4.927 1.00 0.00 O ATOM 817 CB ASN A 53 -5.968 9.053 -4.413 1.00 0.00 C ATOM 818 CG ASN A 53 -7.306 8.982 -3.706 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.172 9.830 -3.920 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.513 7.965 -2.899 1.00 0.00 N ATOM 0 H ASN A 53 -5.539 9.695 -2.011 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.833 7.453 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.779 10.088 -4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.029 8.474 -5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.412 7.862 -2.429 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.774 7.279 -2.743 1.00 0.00 H new ATOM 827 N ARG A 54 -3.119 10.266 -4.005 1.00 0.00 N ATOM 828 CA ARG A 54 -1.880 10.857 -4.513 1.00 0.00 C ATOM 829 C ARG A 54 -0.665 10.146 -3.927 1.00 0.00 C ATOM 830 O ARG A 54 0.344 9.956 -4.603 1.00 0.00 O ATOM 831 CB ARG A 54 -1.824 12.350 -4.165 1.00 0.00 C ATOM 832 CG ARG A 54 -0.528 13.037 -4.571 1.00 0.00 C ATOM 833 CD ARG A 54 -0.352 13.048 -6.078 1.00 0.00 C ATOM 834 NE ARG A 54 0.941 13.602 -6.476 1.00 0.00 N ATOM 835 CZ ARG A 54 1.145 14.280 -7.603 1.00 0.00 C ATOM 836 NH1 ARG A 54 0.124 14.578 -8.400 1.00 0.00 N ATOM 837 NH2 ARG A 54 2.369 14.687 -7.915 1.00 0.00 N ATOM 0 H ARG A 54 -3.687 10.909 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.865 10.740 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.658 12.856 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.963 12.467 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.525 14.060 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.316 12.525 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.444 12.032 -6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.152 13.633 -6.532 1.00 0.00 H new ATOM 0 HE ARG A 54 1.735 13.460 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.821 14.287 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.285 15.098 -9.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.150 14.480 -7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.529 15.207 -8.778 1.00 0.00 H new ATOM 851 N LEU A 55 -0.775 9.769 -2.665 1.00 0.00 N ATOM 852 CA LEU A 55 0.266 9.018 -1.979 1.00 0.00 C ATOM 853 C LEU A 55 0.587 7.734 -2.733 1.00 0.00 C ATOM 854 O LEU A 55 1.753 7.399 -2.960 1.00 0.00 O ATOM 855 CB LEU A 55 -0.209 8.706 -0.562 1.00 0.00 C ATOM 856 CG LEU A 55 0.712 7.838 0.282 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.035 8.538 0.548 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.013 7.492 1.578 1.00 0.00 C ATOM 0 H LEU A 55 -1.589 9.974 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 55 1.179 9.612 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.365 9.649 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.179 8.213 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 55 0.937 6.921 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.672 7.894 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.530 8.752 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.852 9.471 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.667 6.870 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.225 8.408 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.907 6.949 1.362 1.00 0.00 H new ATOM 870 N CYS A 56 -0.453 7.038 -3.152 1.00 0.00 N ATOM 871 CA CYS A 56 -0.295 5.797 -3.888 1.00 0.00 C ATOM 872 C CYS A 56 0.230 6.031 -5.298 1.00 0.00 C ATOM 873 O CYS A 56 0.667 5.094 -5.959 1.00 0.00 O ATOM 874 CB CYS A 56 -1.608 5.041 -3.932 1.00 0.00 C ATOM 875 SG CYS A 56 -2.029 4.242 -2.358 1.00 0.00 S ATOM 0 H CYS A 56 -1.422 7.313 -2.994 1.00 0.00 H new ATOM 0 HA CYS A 56 0.447 5.197 -3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.407 5.730 -4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.557 4.283 -4.714 1.00 0.00 H new ATOM 880 N TYR A 57 0.187 7.273 -5.763 1.00 0.00 N ATOM 881 CA TYR A 57 0.807 7.616 -7.036 1.00 0.00 C ATOM 882 C TYR A 57 2.315 7.442 -6.939 1.00 0.00 C ATOM 883 O TYR A 57 2.972 7.087 -7.916 1.00 0.00 O ATOM 884 CB TYR A 57 0.459 9.047 -7.457 1.00 0.00 C ATOM 885 CG TYR A 57 -0.777 9.136 -8.319 1.00 0.00 C ATOM 886 CD1 TYR A 57 -2.051 9.086 -7.766 1.00 0.00 C ATOM 887 CD2 TYR A 57 -0.666 9.253 -9.694 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.177 9.152 -8.565 1.00 0.00 C ATOM 889 CE2 TYR A 57 -1.784 9.314 -10.497 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.036 9.264 -9.931 1.00 0.00 C ATOM 891 OH TYR A 57 -4.149 9.308 -10.740 1.00 0.00 O ATOM 0 H TYR A 57 -0.265 8.052 -5.284 1.00 0.00 H new ATOM 0 HA TYR A 57 0.417 6.943 -7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.314 9.655 -6.564 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.303 9.473 -8.000 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.163 8.994 -6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.314 9.297 -10.145 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.161 9.116 -8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.677 9.401 -11.568 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.092 8.599 -11.414 1.00 0.00 H new ATOM 901 N TYR A 58 2.853 7.685 -5.751 1.00 0.00 N ATOM 902 CA TYR A 58 4.274 7.492 -5.502 1.00 0.00 C ATOM 903 C TYR A 58 4.551 6.044 -5.123 1.00 0.00 C ATOM 904 O TYR A 58 5.552 5.464 -5.541 1.00 0.00 O ATOM 905 CB TYR A 58 4.755 8.428 -4.396 1.00 0.00 C ATOM 906 CG TYR A 58 4.554 9.890 -4.721 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.421 10.553 -5.580 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.489 10.602 -4.185 1.00 0.00 C ATOM 909 CE1 TYR A 58 5.235 11.884 -5.894 1.00 0.00 C ATOM 910 CE2 TYR A 58 3.292 11.933 -4.498 1.00 0.00 C ATOM 911 CZ TYR A 58 4.169 12.570 -5.351 1.00 0.00 C ATOM 912 OH TYR A 58 3.972 13.895 -5.675 1.00 0.00 O ATOM 0 H TYR A 58 2.325 8.017 -4.944 1.00 0.00 H new ATOM 0 HA TYR A 58 4.820 7.726 -6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.225 8.192 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.814 8.246 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.255 10.018 -6.010 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.804 10.107 -3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.920 12.385 -6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.456 12.472 -4.077 1.00 0.00 H new ATOM 0 HH TYR A 58 4.784 14.254 -6.090 1.00 0.00 H new ATOM 922 N LEU A 59 3.649 5.465 -4.334 1.00 0.00 N ATOM 923 CA LEU A 59 3.758 4.066 -3.929 1.00 0.00 C ATOM 924 C LEU A 59 3.581 3.135 -5.130 1.00 0.00 C ATOM 925 O LEU A 59 3.971 1.970 -5.092 1.00 0.00 O ATOM 926 CB LEU A 59 2.720 3.739 -2.848 1.00 0.00 C ATOM 927 CG LEU A 59 2.892 4.492 -1.522 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.730 4.203 -0.587 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.205 4.111 -0.854 1.00 0.00 C ATOM 0 H LEU A 59 2.831 5.946 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 59 4.755 3.909 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.728 3.956 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.756 2.669 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 59 2.908 5.560 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.871 4.746 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.799 4.522 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.686 3.133 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.307 4.656 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.214 3.039 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.035 4.364 -1.513 1.00 0.00 H new ATOM 941 N GLY A 60 2.974 3.663 -6.189 1.00 0.00 N ATOM 942 CA GLY A 60 2.842 2.922 -7.427 1.00 0.00 C ATOM 943 C GLY A 60 1.609 2.041 -7.462 1.00 0.00 C ATOM 944 O GLY A 60 1.461 1.215 -8.358 1.00 0.00 O ATOM 0 H GLY A 60 2.569 4.599 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.805 3.623 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.728 2.303 -7.570 1.00 0.00 H new ATOM 948 N ALA A 61 0.707 2.239 -6.510 1.00 0.00 N ATOM 949 CA ALA A 61 -0.460 1.375 -6.388 1.00 0.00 C ATOM 950 C ALA A 61 -1.695 1.995 -7.028 1.00 0.00 C ATOM 951 O ALA A 61 -2.825 1.608 -6.733 1.00 0.00 O ATOM 952 CB ALA A 61 -0.721 1.042 -4.928 1.00 0.00 C ATOM 0 H ALA A 61 0.760 2.984 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.245 0.452 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.596 0.396 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.146 0.529 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.900 1.962 -4.371 1.00 0.00 H new ATOM 958 N THR A 62 -1.479 2.962 -7.901 1.00 0.00 N ATOM 959 CA THR A 62 -2.563 3.529 -8.677 1.00 0.00 C ATOM 960 C THR A 62 -2.537 2.961 -10.093 1.00 0.00 C ATOM 961 O THR A 62 -1.513 2.450 -10.551 1.00 0.00 O ATOM 962 CB THR A 62 -2.489 5.068 -8.707 1.00 0.00 C ATOM 963 OG1 THR A 62 -1.147 5.501 -8.961 1.00 0.00 O ATOM 964 CG2 THR A 62 -2.978 5.653 -7.393 1.00 0.00 C ATOM 0 H THR A 62 -0.563 3.370 -8.089 1.00 0.00 H new ATOM 0 HA THR A 62 -3.505 3.257 -8.200 1.00 0.00 H new ATOM 0 HB THR A 62 -3.134 5.422 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.158 6.423 -9.292 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.918 6.741 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.012 5.353 -7.224 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.355 5.286 -6.577 1.00 0.00 H new ATOM 972 N LYS A 63 -3.665 3.063 -10.787 1.00 0.00 N ATOM 973 CA LYS A 63 -3.870 2.350 -12.046 1.00 0.00 C ATOM 974 C LYS A 63 -3.117 2.989 -13.207 1.00 0.00 C ATOM 975 O LYS A 63 -3.130 2.471 -14.323 1.00 0.00 O ATOM 976 CB LYS A 63 -5.361 2.285 -12.368 1.00 0.00 C ATOM 977 CG LYS A 63 -6.165 1.486 -11.356 1.00 0.00 C ATOM 978 CD LYS A 63 -7.648 1.474 -11.698 1.00 0.00 C ATOM 979 CE LYS A 63 -8.262 2.863 -11.611 1.00 0.00 C ATOM 980 NZ LYS A 63 -9.701 2.855 -11.983 1.00 0.00 N ATOM 0 H LYS A 63 -4.458 3.636 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.472 1.344 -11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.759 3.299 -12.417 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.492 1.843 -13.356 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.791 0.463 -11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.024 1.911 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.785 1.079 -12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.172 0.802 -11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.151 3.247 -10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.720 3.542 -12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.083 3.819 -11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.805 2.513 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.223 2.227 -11.339 1.00 0.00 H new ATOM 994 N ASP A 64 -2.481 4.119 -12.953 1.00 0.00 N ATOM 995 CA ASP A 64 -1.677 4.781 -13.970 1.00 0.00 C ATOM 996 C ASP A 64 -0.258 4.995 -13.465 1.00 0.00 C ATOM 997 O ASP A 64 0.483 5.825 -13.986 1.00 0.00 O ATOM 998 CB ASP A 64 -2.305 6.116 -14.386 1.00 0.00 C ATOM 999 CG ASP A 64 -2.397 7.111 -13.247 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -3.355 7.020 -12.445 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -1.529 8.004 -13.160 1.00 0.00 O ATOM 0 H ASP A 64 -2.504 4.598 -12.053 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.643 4.137 -14.849 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.717 6.551 -15.194 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.304 5.933 -14.782 1.00 0.00 H new ATOM 1006 N ALA A 65 0.115 4.235 -12.445 1.00 0.00 N ATOM 1007 CA ALA A 65 1.452 4.324 -11.880 1.00 0.00 C ATOM 1008 C ALA A 65 2.277 3.097 -12.248 1.00 0.00 C ATOM 1009 O ALA A 65 1.809 2.211 -12.968 1.00 0.00 O ATOM 1010 CB ALA A 65 1.384 4.483 -10.371 1.00 0.00 C ATOM 0 H ALA A 65 -0.490 3.550 -11.992 1.00 0.00 H new ATOM 0 HA ALA A 65 1.940 5.204 -12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.394 4.548 -9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.835 5.392 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.874 3.623 -9.937 1.00 0.00 H new ATOM 1016 N ALA A 66 3.505 3.056 -11.755 1.00 0.00 N ATOM 1017 CA ALA A 66 4.413 1.954 -12.035 1.00 0.00 C ATOM 1018 C ALA A 66 4.035 0.702 -11.250 1.00 0.00 C ATOM 1019 O ALA A 66 4.038 0.701 -10.020 1.00 0.00 O ATOM 1020 CB ALA A 66 5.839 2.366 -11.709 1.00 0.00 C ATOM 0 H ALA A 66 3.899 3.780 -11.154 1.00 0.00 H new ATOM 0 HA ALA A 66 4.336 1.715 -13.096 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.515 1.537 -11.920 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.118 3.226 -12.318 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.909 2.631 -10.654 1.00 0.00 H new ATOM 1026 N THR A 67 3.729 -0.367 -11.970 1.00 0.00 N ATOM 1027 CA THR A 67 3.396 -1.641 -11.349 1.00 0.00 C ATOM 1028 C THR A 67 4.645 -2.314 -10.793 1.00 0.00 C ATOM 1029 O THR A 67 4.559 -3.224 -9.971 1.00 0.00 O ATOM 1030 CB THR A 67 2.710 -2.586 -12.351 1.00 0.00 C ATOM 1031 OG1 THR A 67 3.373 -2.506 -13.622 1.00 0.00 O ATOM 1032 CG2 THR A 67 1.239 -2.240 -12.508 1.00 0.00 C ATOM 0 H THR A 67 3.704 -0.377 -12.990 1.00 0.00 H new ATOM 0 HA THR A 67 2.705 -1.434 -10.532 1.00 0.00 H new ATOM 0 HB THR A 67 2.779 -3.604 -11.968 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.935 -3.110 -14.258 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.779 -2.923 -13.222 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.739 -2.331 -11.544 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.143 -1.217 -12.871 1.00 0.00 H new ATOM 1040 N LYS A 68 5.803 -1.859 -11.254 1.00 0.00 N ATOM 1041 CA LYS A 68 7.080 -2.385 -10.794 1.00 0.00 C ATOM 1042 C LYS A 68 7.220 -2.218 -9.286 1.00 0.00 C ATOM 1043 O LYS A 68 7.521 -3.174 -8.568 1.00 0.00 O ATOM 1044 CB LYS A 68 8.220 -1.671 -11.520 1.00 0.00 C ATOM 1045 CG LYS A 68 9.600 -2.199 -11.174 1.00 0.00 C ATOM 1046 CD LYS A 68 10.664 -1.593 -12.073 1.00 0.00 C ATOM 1047 CE LYS A 68 10.442 -1.961 -13.530 1.00 0.00 C ATOM 1048 NZ LYS A 68 10.517 -3.428 -13.751 1.00 0.00 N ATOM 0 H LYS A 68 5.883 -1.120 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 68 7.125 -3.450 -11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.066 -1.763 -12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.179 -0.608 -11.282 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.828 -1.972 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.612 -3.284 -11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.657 -0.508 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.648 -1.938 -11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.467 -1.595 -13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.189 -1.463 -14.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.564 -3.623 -14.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.367 -3.806 -13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.672 -3.883 -13.350 1.00 0.00 H new ATOM 1062 N ILE A 69 6.976 -1.008 -8.803 1.00 0.00 N ATOM 1063 CA ILE A 69 7.054 -0.738 -7.377 1.00 0.00 C ATOM 1064 C ILE A 69 5.826 -1.310 -6.663 1.00 0.00 C ATOM 1065 O ILE A 69 5.918 -1.748 -5.519 1.00 0.00 O ATOM 1066 CB ILE A 69 7.210 0.777 -7.085 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.277 1.032 -5.574 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.079 1.573 -7.720 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.528 2.482 -5.211 1.00 0.00 C ATOM 0 H ILE A 69 6.724 -0.202 -9.375 1.00 0.00 H new ATOM 0 HA ILE A 69 7.946 -1.231 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 69 8.147 1.114 -7.529 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.341 0.709 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.069 0.417 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.212 2.632 -7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.089 1.422 -8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.125 1.235 -7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.562 2.585 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.478 2.804 -5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.724 3.101 -5.609 1.00 0.00 H new ATOM 1081 N LEU A 70 4.692 -1.342 -7.363 1.00 0.00 N ATOM 1082 CA LEU A 70 3.466 -1.936 -6.831 1.00 0.00 C ATOM 1083 C LEU A 70 3.726 -3.386 -6.425 1.00 0.00 C ATOM 1084 O LEU A 70 3.495 -3.775 -5.279 1.00 0.00 O ATOM 1085 CB LEU A 70 2.349 -1.865 -7.887 1.00 0.00 C ATOM 1086 CG LEU A 70 0.907 -1.944 -7.361 1.00 0.00 C ATOM 1087 CD1 LEU A 70 -0.080 -1.696 -8.489 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.623 -3.287 -6.713 1.00 0.00 C ATOM 0 H LEU A 70 4.597 -0.961 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 70 3.149 -1.378 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.460 -0.933 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.499 -2.677 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 70 0.790 -1.171 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.097 -1.755 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.091 -0.706 -8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.057 -2.449 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.406 -3.307 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.767 -4.082 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.304 -3.438 -5.875 1.00 0.00 H new ATOM 1100 N SER A 71 4.227 -4.173 -7.368 1.00 0.00 N ATOM 1101 CA SER A 71 4.522 -5.574 -7.113 1.00 0.00 C ATOM 1102 C SER A 71 5.672 -5.721 -6.117 1.00 0.00 C ATOM 1103 O SER A 71 5.726 -6.683 -5.351 1.00 0.00 O ATOM 1104 CB SER A 71 4.831 -6.297 -8.425 1.00 0.00 C ATOM 1105 OG SER A 71 5.714 -5.538 -9.238 1.00 0.00 O ATOM 0 H SER A 71 4.437 -3.863 -8.317 1.00 0.00 H new ATOM 0 HA SER A 71 3.642 -6.036 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.276 -7.269 -8.211 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.904 -6.483 -8.967 1.00 0.00 H new ATOM 0 HG SER A 71 5.203 -4.869 -9.740 1.00 0.00 H new ATOM 1111 N GLU A 72 6.577 -4.748 -6.111 1.00 0.00 N ATOM 1112 CA GLU A 72 7.685 -4.747 -5.164 1.00 0.00 C ATOM 1113 C GLU A 72 7.165 -4.586 -3.735 1.00 0.00 C ATOM 1114 O GLU A 72 7.838 -4.945 -2.772 1.00 0.00 O ATOM 1115 CB GLU A 72 8.670 -3.626 -5.497 1.00 0.00 C ATOM 1116 CG GLU A 72 9.990 -3.737 -4.752 1.00 0.00 C ATOM 1117 CD GLU A 72 10.707 -5.037 -5.044 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.243 -5.183 -6.160 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.731 -5.924 -4.167 1.00 0.00 O ATOM 0 H GLU A 72 6.565 -3.953 -6.749 1.00 0.00 H new ATOM 0 HA GLU A 72 8.205 -5.702 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.866 -3.632 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.209 -2.667 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.632 -2.901 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.807 -3.658 -3.680 1.00 0.00 H new ATOM 1126 N VAL A 73 5.970 -4.025 -3.605 1.00 0.00 N ATOM 1127 CA VAL A 73 5.322 -3.906 -2.308 1.00 0.00 C ATOM 1128 C VAL A 73 4.547 -5.182 -1.978 1.00 0.00 C ATOM 1129 O VAL A 73 4.704 -5.750 -0.897 1.00 0.00 O ATOM 1130 CB VAL A 73 4.368 -2.687 -2.259 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.666 -2.595 -0.912 1.00 0.00 C ATOM 1132 CG2 VAL A 73 5.128 -1.401 -2.543 1.00 0.00 C ATOM 0 H VAL A 73 5.430 -3.645 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 73 6.104 -3.757 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 73 3.611 -2.825 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.003 -1.730 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.083 -3.501 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.409 -2.488 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.441 -0.556 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.910 -1.268 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.579 -1.456 -3.534 1.00 0.00 H new ATOM 1142 N THR A 74 3.744 -5.646 -2.930 1.00 0.00 N ATOM 1143 CA THR A 74 2.862 -6.796 -2.721 1.00 0.00 C ATOM 1144 C THR A 74 3.633 -8.069 -2.382 1.00 0.00 C ATOM 1145 O THR A 74 3.167 -8.870 -1.568 1.00 0.00 O ATOM 1146 CB THR A 74 1.990 -7.052 -3.966 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.819 -7.185 -5.125 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.003 -5.920 -4.181 1.00 0.00 C ATOM 0 H THR A 74 3.684 -5.240 -3.864 1.00 0.00 H new ATOM 0 HA THR A 74 2.229 -6.545 -1.870 1.00 0.00 H new ATOM 0 HB THR A 74 1.433 -7.975 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.747 -6.979 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.400 -6.126 -5.066 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.352 -5.834 -3.311 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.546 -4.985 -4.321 1.00 0.00 H new ATOM 1156 N ARG A 75 4.802 -8.264 -2.996 1.00 0.00 N ATOM 1157 CA ARG A 75 5.607 -9.454 -2.722 1.00 0.00 C ATOM 1158 C ARG A 75 5.888 -9.611 -1.222 1.00 0.00 C ATOM 1159 O ARG A 75 5.568 -10.652 -0.649 1.00 0.00 O ATOM 1160 CB ARG A 75 6.918 -9.459 -3.523 1.00 0.00 C ATOM 1161 CG ARG A 75 6.854 -10.281 -4.799 1.00 0.00 C ATOM 1162 CD ARG A 75 6.879 -9.406 -6.040 1.00 0.00 C ATOM 1163 NE ARG A 75 8.148 -8.686 -6.187 1.00 0.00 N ATOM 1164 CZ ARG A 75 8.521 -8.058 -7.303 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.744 -8.084 -8.377 1.00 0.00 N ATOM 1166 NH2 ARG A 75 9.678 -7.411 -7.348 1.00 0.00 N ATOM 0 H ARG A 75 5.207 -7.622 -3.677 1.00 0.00 H new ATOM 0 HA ARG A 75 5.018 -10.312 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.182 -8.432 -3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.717 -9.847 -2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.695 -10.974 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.945 -10.883 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.710 -10.025 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.060 -8.688 -5.993 1.00 0.00 H new ATOM 0 HE ARG A 75 8.783 -8.664 -5.389 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.856 -8.586 -8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.034 -7.602 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.285 -7.393 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.961 -6.931 -8.203 1.00 0.00 H new ATOM 1180 N PRO A 76 6.484 -8.601 -0.548 1.00 0.00 N ATOM 1181 CA PRO A 76 6.663 -8.649 0.904 1.00 0.00 C ATOM 1182 C PRO A 76 5.350 -8.475 1.658 1.00 0.00 C ATOM 1183 O PRO A 76 5.132 -9.113 2.687 1.00 0.00 O ATOM 1184 CB PRO A 76 7.605 -7.479 1.213 1.00 0.00 C ATOM 1185 CG PRO A 76 8.117 -7.005 -0.105 1.00 0.00 C ATOM 1186 CD PRO A 76 7.087 -7.391 -1.123 1.00 0.00 C ATOM 0 HA PRO A 76 7.056 -9.616 1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.078 -6.681 1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.424 -7.797 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.270 -5.926 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.080 -7.461 -0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.348 -6.603 -1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.537 -7.589 -2.096 1.00 0.00 H new ATOM 1194 N MET A 77 4.473 -7.622 1.131 1.00 0.00 N ATOM 1195 CA MET A 77 3.197 -7.317 1.779 1.00 0.00 C ATOM 1196 C MET A 77 2.337 -8.552 1.964 1.00 0.00 C ATOM 1197 O MET A 77 1.442 -8.547 2.789 1.00 0.00 O ATOM 1198 CB MET A 77 2.405 -6.287 0.977 1.00 0.00 C ATOM 1199 CG MET A 77 2.614 -4.856 1.430 1.00 0.00 C ATOM 1200 SD MET A 77 2.065 -4.576 3.123 1.00 0.00 S ATOM 1201 CE MET A 77 2.136 -2.792 3.201 1.00 0.00 C ATOM 0 H MET A 77 4.624 -7.127 0.252 1.00 0.00 H new ATOM 0 HA MET A 77 3.445 -6.913 2.760 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.683 -6.368 -0.074 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.344 -6.527 1.045 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.671 -4.604 1.349 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.074 -4.185 0.762 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.511 -2.439 4.021 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.166 -2.476 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.775 -2.372 2.262 1.00 0.00 H new ATOM 1211 N SER A 78 2.610 -9.596 1.191 1.00 0.00 N ATOM 1212 CA SER A 78 1.830 -10.829 1.233 1.00 0.00 C ATOM 1213 C SER A 78 1.867 -11.500 2.611 1.00 0.00 C ATOM 1214 O SER A 78 1.092 -12.423 2.874 1.00 0.00 O ATOM 1215 CB SER A 78 2.341 -11.800 0.170 1.00 0.00 C ATOM 1216 OG SER A 78 1.585 -13.002 0.161 1.00 0.00 O ATOM 0 H SER A 78 3.377 -9.613 0.518 1.00 0.00 H new ATOM 0 HA SER A 78 0.792 -10.563 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.289 -11.328 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.390 -12.029 0.358 1.00 0.00 H new ATOM 0 HG SER A 78 1.934 -13.603 -0.530 1.00 0.00 H new ATOM 1222 N VAL A 79 2.781 -11.070 3.471 1.00 0.00 N ATOM 1223 CA VAL A 79 2.869 -11.610 4.819 1.00 0.00 C ATOM 1224 C VAL A 79 2.826 -10.480 5.843 1.00 0.00 C ATOM 1225 O VAL A 79 2.817 -9.306 5.473 1.00 0.00 O ATOM 1226 CB VAL A 79 4.160 -12.437 5.022 1.00 0.00 C ATOM 1227 CG1 VAL A 79 4.186 -13.637 4.085 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.399 -11.575 4.821 1.00 0.00 C ATOM 0 H VAL A 79 3.471 -10.349 3.258 1.00 0.00 H new ATOM 0 HA VAL A 79 2.014 -12.271 4.961 1.00 0.00 H new ATOM 0 HB VAL A 79 4.165 -12.803 6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.103 -14.204 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.325 -14.275 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.148 -13.293 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.292 -12.182 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.400 -11.170 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.393 -10.756 5.540 1.00 0.00 H new ATOM 1238 N HIS A 80 2.789 -10.838 7.126 1.00 0.00 N ATOM 1239 CA HIS A 80 2.856 -9.854 8.204 1.00 0.00 C ATOM 1240 C HIS A 80 4.224 -9.175 8.157 1.00 0.00 C ATOM 1241 O HIS A 80 5.175 -9.610 8.808 1.00 0.00 O ATOM 1242 CB HIS A 80 2.630 -10.540 9.558 1.00 0.00 C ATOM 1243 CG HIS A 80 2.238 -9.607 10.664 1.00 0.00 C ATOM 1244 ND1 HIS A 80 3.064 -9.294 11.720 1.00 0.00 N ATOM 1245 CD2 HIS A 80 1.087 -8.925 10.878 1.00 0.00 C ATOM 1246 CE1 HIS A 80 2.440 -8.465 12.535 1.00 0.00 C ATOM 1247 NE2 HIS A 80 1.239 -8.224 12.047 1.00 0.00 N ATOM 0 H HIS A 80 2.713 -11.804 7.444 1.00 0.00 H new ATOM 0 HA HIS A 80 2.076 -9.103 8.078 1.00 0.00 H new ATOM 0 HB2 HIS A 80 1.853 -11.296 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.543 -11.062 9.845 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.212 -8.932 10.245 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.845 -8.053 13.448 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.538 -7.616 12.470 1.00 0.00 H new ATOM 1256 N MET A 81 4.306 -8.108 7.376 1.00 0.00 N ATOM 1257 CA MET A 81 5.584 -7.573 6.938 1.00 0.00 C ATOM 1258 C MET A 81 6.002 -6.307 7.703 1.00 0.00 C ATOM 1259 O MET A 81 5.166 -5.539 8.181 1.00 0.00 O ATOM 1260 CB MET A 81 5.501 -7.279 5.429 1.00 0.00 C ATOM 1261 CG MET A 81 6.840 -7.030 4.765 1.00 0.00 C ATOM 1262 SD MET A 81 7.871 -8.503 4.669 1.00 0.00 S ATOM 1263 CE MET A 81 9.435 -7.752 4.231 1.00 0.00 C ATOM 0 H MET A 81 3.496 -7.593 7.031 1.00 0.00 H new ATOM 0 HA MET A 81 6.349 -8.321 7.147 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.014 -8.119 4.934 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.865 -6.407 5.276 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.673 -6.645 3.759 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.374 -6.257 5.317 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.958 -8.390 3.519 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.256 -6.776 3.780 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.044 -7.632 5.127 1.00 0.00 H new ATOM 1273 N PRO A 82 7.334 -6.140 7.835 1.00 0.00 N ATOM 1274 CA PRO A 82 8.056 -4.931 8.298 1.00 0.00 C ATOM 1275 C PRO A 82 7.565 -3.559 7.796 1.00 0.00 C ATOM 1276 O PRO A 82 8.232 -2.569 8.058 1.00 0.00 O ATOM 1277 CB PRO A 82 9.473 -5.177 7.804 1.00 0.00 C ATOM 1278 CG PRO A 82 9.642 -6.638 7.948 1.00 0.00 C ATOM 1279 CD PRO A 82 8.307 -7.235 7.599 1.00 0.00 C ATOM 0 HA PRO A 82 7.915 -4.834 9.374 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.598 -4.859 6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.205 -4.628 8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.423 -7.010 7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.935 -6.901 8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.282 -7.571 6.562 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.086 -8.103 8.221 1.00 0.00 H new ATOM 1287 N ALA A 83 6.468 -3.523 7.024 1.00 0.00 N ATOM 1288 CA ALA A 83 6.028 -2.356 6.217 1.00 0.00 C ATOM 1289 C ALA A 83 6.246 -0.976 6.852 1.00 0.00 C ATOM 1290 O ALA A 83 6.410 0.000 6.118 1.00 0.00 O ATOM 1291 CB ALA A 83 4.554 -2.516 5.884 1.00 0.00 C ATOM 0 H ALA A 83 5.840 -4.322 6.936 1.00 0.00 H new ATOM 0 HA ALA A 83 6.665 -2.366 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.220 -1.664 5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.407 -3.434 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.976 -2.565 6.807 1.00 0.00 H new ATOM 1297 N MET A 84 6.261 -0.882 8.175 1.00 0.00 N ATOM 1298 CA MET A 84 6.643 0.365 8.847 1.00 0.00 C ATOM 1299 C MET A 84 8.003 0.831 8.323 1.00 0.00 C ATOM 1300 O MET A 84 8.185 1.976 7.929 1.00 0.00 O ATOM 1301 CB MET A 84 6.749 0.152 10.358 1.00 0.00 C ATOM 1302 CG MET A 84 5.671 -0.747 10.933 1.00 0.00 C ATOM 1303 SD MET A 84 6.350 -1.945 12.095 1.00 0.00 S ATOM 1304 CE MET A 84 7.654 -2.664 11.091 1.00 0.00 C ATOM 0 H MET A 84 6.016 -1.645 8.805 1.00 0.00 H new ATOM 0 HA MET A 84 5.879 1.115 8.642 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.725 -0.277 10.586 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.702 1.121 10.855 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.920 -0.138 11.436 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.165 -1.272 10.123 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.776 -3.715 11.351 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.390 -2.579 10.037 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.589 -2.134 11.275 1.00 0.00 H new ATOM 1314 N LYS A 85 8.945 -0.094 8.301 1.00 0.00 N ATOM 1315 CA LYS A 85 10.286 0.173 7.811 1.00 0.00 C ATOM 1316 C LYS A 85 10.309 0.280 6.301 1.00 0.00 C ATOM 1317 O LYS A 85 11.117 1.012 5.743 1.00 0.00 O ATOM 1318 CB LYS A 85 11.234 -0.937 8.250 1.00 0.00 C ATOM 1319 CG LYS A 85 11.741 -0.761 9.660 1.00 0.00 C ATOM 1320 CD LYS A 85 12.483 -1.993 10.153 1.00 0.00 C ATOM 1321 CE LYS A 85 11.561 -3.201 10.222 1.00 0.00 C ATOM 1322 NZ LYS A 85 12.215 -4.367 10.868 1.00 0.00 N ATOM 0 H LYS A 85 8.803 -1.052 8.622 1.00 0.00 H new ATOM 0 HA LYS A 85 10.610 1.125 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.722 -1.896 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.083 -0.973 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.404 0.103 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.902 -0.552 10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.319 -2.208 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.904 -1.797 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.660 -2.938 10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.246 -3.474 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.551 -5.167 10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.060 -4.636 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.492 -4.116 11.838 1.00 0.00 H new ATOM 1336 N ILE A 86 9.415 -0.440 5.639 1.00 0.00 N ATOM 1337 CA ILE A 86 9.434 -0.501 4.189 1.00 0.00 C ATOM 1338 C ILE A 86 9.244 0.882 3.584 1.00 0.00 C ATOM 1339 O ILE A 86 9.929 1.245 2.632 1.00 0.00 O ATOM 1340 CB ILE A 86 8.367 -1.468 3.626 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.617 -2.882 4.151 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.372 -1.452 2.101 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.692 -3.928 3.566 1.00 0.00 C ATOM 0 H ILE A 86 8.674 -0.985 6.080 1.00 0.00 H new ATOM 0 HA ILE A 86 10.414 -0.886 3.908 1.00 0.00 H new ATOM 0 HB ILE A 86 7.384 -1.137 3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.648 -3.162 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.508 -2.881 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.613 -2.140 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.154 -0.444 1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.352 -1.760 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.933 -4.904 3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.659 -3.674 3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.817 -3.960 2.484 1.00 0.00 H new ATOM 1355 N CYS A 87 8.338 1.658 4.160 1.00 0.00 N ATOM 1356 CA CYS A 87 8.103 3.021 3.698 1.00 0.00 C ATOM 1357 C CYS A 87 9.344 3.878 3.882 1.00 0.00 C ATOM 1358 O CYS A 87 9.638 4.760 3.075 1.00 0.00 O ATOM 1359 CB CYS A 87 6.923 3.637 4.444 1.00 0.00 C ATOM 1360 SG CYS A 87 6.597 5.373 4.015 1.00 0.00 S ATOM 0 H CYS A 87 7.754 1.370 4.946 1.00 0.00 H new ATOM 0 HA CYS A 87 7.868 2.983 2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.029 3.049 4.237 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.109 3.568 5.516 1.00 0.00 H new ATOM 1365 N GLU A 88 10.088 3.582 4.926 1.00 0.00 N ATOM 1366 CA GLU A 88 11.311 4.295 5.222 1.00 0.00 C ATOM 1367 C GLU A 88 12.415 3.864 4.262 1.00 0.00 C ATOM 1368 O GLU A 88 13.245 4.669 3.839 1.00 0.00 O ATOM 1369 CB GLU A 88 11.704 4.009 6.658 1.00 0.00 C ATOM 1370 CG GLU A 88 10.740 4.588 7.682 1.00 0.00 C ATOM 1371 CD GLU A 88 10.580 6.090 7.553 1.00 0.00 C ATOM 1372 OE1 GLU A 88 11.596 6.809 7.686 1.00 0.00 O ATOM 1373 OE2 GLU A 88 9.441 6.561 7.340 1.00 0.00 O ATOM 0 H GLU A 88 9.863 2.843 5.591 1.00 0.00 H new ATOM 0 HA GLU A 88 11.158 5.367 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.767 2.930 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.700 4.413 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.766 4.112 7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.095 4.350 8.685 1.00 0.00 H new ATOM 1380 N LYS A 89 12.409 2.583 3.911 1.00 0.00 N ATOM 1381 CA LYS A 89 13.345 2.049 2.932 1.00 0.00 C ATOM 1382 C LYS A 89 13.016 2.594 1.542 1.00 0.00 C ATOM 1383 O LYS A 89 13.897 2.750 0.693 1.00 0.00 O ATOM 1384 CB LYS A 89 13.314 0.511 2.935 1.00 0.00 C ATOM 1385 CG LYS A 89 13.650 -0.099 4.291 1.00 0.00 C ATOM 1386 CD LYS A 89 13.812 -1.619 4.245 1.00 0.00 C ATOM 1387 CE LYS A 89 12.497 -2.359 4.021 1.00 0.00 C ATOM 1388 NZ LYS A 89 12.095 -2.385 2.588 1.00 0.00 N ATOM 0 H LYS A 89 11.762 1.893 4.293 1.00 0.00 H new ATOM 0 HA LYS A 89 14.352 2.366 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.323 0.174 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.020 0.139 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.572 0.347 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.863 0.155 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.508 -1.879 3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.257 -1.959 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.592 -3.381 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.711 -1.882 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.670 -3.307 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.401 -1.631 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.932 -2.235 1.990 1.00 0.00 H new ATOM 1402 N LEU A 90 11.741 2.909 1.332 1.00 0.00 N ATOM 1403 CA LEU A 90 11.280 3.494 0.078 1.00 0.00 C ATOM 1404 C LEU A 90 11.757 4.928 -0.070 1.00 0.00 C ATOM 1405 O LEU A 90 11.740 5.487 -1.167 1.00 0.00 O ATOM 1406 CB LEU A 90 9.754 3.444 -0.012 1.00 0.00 C ATOM 1407 CG LEU A 90 9.183 2.088 -0.414 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.663 2.126 -0.416 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.712 1.696 -1.781 1.00 0.00 C ATOM 0 H LEU A 90 11.003 2.767 2.022 1.00 0.00 H new ATOM 0 HA LEU A 90 11.704 2.904 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.337 3.726 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.422 4.191 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 90 9.498 1.341 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.275 1.149 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.304 2.378 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.319 2.878 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.302 0.727 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.415 2.445 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.800 1.634 -1.746 1.00 0.00 H new ATOM 1421 N LYS A 91 12.203 5.521 1.029 1.00 0.00 N ATOM 1422 CA LYS A 91 12.706 6.883 0.993 1.00 0.00 C ATOM 1423 C LYS A 91 14.029 6.938 0.246 1.00 0.00 C ATOM 1424 O LYS A 91 14.482 8.007 -0.158 1.00 0.00 O ATOM 1425 CB LYS A 91 12.886 7.431 2.406 1.00 0.00 C ATOM 1426 CG LYS A 91 11.603 7.468 3.211 1.00 0.00 C ATOM 1427 CD LYS A 91 11.866 7.868 4.651 1.00 0.00 C ATOM 1428 CE LYS A 91 12.459 9.264 4.749 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.754 9.637 6.154 1.00 0.00 N ATOM 0 H LYS A 91 12.226 5.082 1.949 1.00 0.00 H new ATOM 0 HA LYS A 91 11.976 7.500 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.618 6.819 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.297 8.439 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.907 8.173 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.127 6.488 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.934 7.828 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.547 7.151 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.375 9.313 4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.764 9.986 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.157 10.595 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.876 9.615 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.436 8.963 6.556 1.00 0.00 H new ATOM 1443 N LYS A 92 14.644 5.773 0.066 1.00 0.00 N ATOM 1444 CA LYS A 92 15.872 5.674 -0.702 1.00 0.00 C ATOM 1445 C LYS A 92 15.578 5.944 -2.174 1.00 0.00 C ATOM 1446 O LYS A 92 16.452 6.373 -2.926 1.00 0.00 O ATOM 1447 CB LYS A 92 16.507 4.291 -0.527 1.00 0.00 C ATOM 1448 CG LYS A 92 17.864 4.157 -1.194 1.00 0.00 C ATOM 1449 CD LYS A 92 18.489 2.800 -0.929 1.00 0.00 C ATOM 1450 CE LYS A 92 19.860 2.683 -1.577 1.00 0.00 C ATOM 1451 NZ LYS A 92 19.790 2.821 -3.055 1.00 0.00 N ATOM 0 H LYS A 92 14.309 4.887 0.443 1.00 0.00 H new ATOM 0 HA LYS A 92 16.579 6.419 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.612 4.081 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.834 3.537 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.757 4.305 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.528 4.941 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.579 2.643 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.836 2.016 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 92 20.519 3.451 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.300 1.719 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.698 2.536 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.032 2.212 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.590 3.811 -3.302 1.00 0.00 H new ATOM 1465 N LEU A 93 14.334 5.702 -2.570 1.00 0.00 N ATOM 1466 CA LEU A 93 13.893 5.980 -3.928 1.00 0.00 C ATOM 1467 C LEU A 93 13.566 7.460 -4.069 1.00 0.00 C ATOM 1468 O LEU A 93 14.086 8.140 -4.955 1.00 0.00 O ATOM 1469 CB LEU A 93 12.662 5.139 -4.301 1.00 0.00 C ATOM 1470 CG LEU A 93 12.898 3.633 -4.484 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.181 2.947 -3.156 1.00 0.00 C ATOM 1472 CD2 LEU A 93 11.701 2.993 -5.168 1.00 0.00 C ATOM 0 H LEU A 93 13.611 5.312 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 93 14.703 5.714 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.907 5.276 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.245 5.535 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 93 13.777 3.506 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.343 1.882 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.072 3.383 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.331 3.084 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.881 1.925 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.810 3.143 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.552 3.452 -6.146 1.00 0.00 H new ATOM 1484 N ASP A 94 12.707 7.949 -3.182 1.00 0.00 N ATOM 1485 CA ASP A 94 12.314 9.353 -3.179 1.00 0.00 C ATOM 1486 C ASP A 94 11.640 9.699 -1.856 1.00 0.00 C ATOM 1487 O ASP A 94 10.915 8.884 -1.286 1.00 0.00 O ATOM 1488 CB ASP A 94 11.371 9.647 -4.349 1.00 0.00 C ATOM 1489 CG ASP A 94 11.022 11.115 -4.455 1.00 0.00 C ATOM 1490 OD1 ASP A 94 11.815 11.881 -5.042 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.954 11.509 -3.961 1.00 0.00 O ATOM 0 H ASP A 94 12.267 7.390 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 94 13.206 9.969 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.837 9.319 -5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.456 9.067 -4.229 1.00 0.00 H new ATOM 1496 N SER A 95 11.895 10.905 -1.370 1.00 0.00 N ATOM 1497 CA SER A 95 11.437 11.327 -0.054 1.00 0.00 C ATOM 1498 C SER A 95 9.964 11.739 -0.049 1.00 0.00 C ATOM 1499 O SER A 95 9.310 11.706 0.998 1.00 0.00 O ATOM 1500 CB SER A 95 12.309 12.482 0.436 1.00 0.00 C ATOM 1501 OG SER A 95 12.477 13.456 -0.579 1.00 0.00 O ATOM 0 H SER A 95 12.423 11.617 -1.875 1.00 0.00 H new ATOM 0 HA SER A 95 11.527 10.474 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.853 12.940 1.313 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.283 12.102 0.745 1.00 0.00 H new ATOM 0 HG SER A 95 13.037 14.186 -0.242 1.00 0.00 H new ATOM 1507 N GLN A 96 9.438 12.112 -1.210 1.00 0.00 N ATOM 1508 CA GLN A 96 8.055 12.569 -1.308 1.00 0.00 C ATOM 1509 C GLN A 96 7.101 11.393 -1.163 1.00 0.00 C ATOM 1510 O GLN A 96 5.928 11.567 -0.837 1.00 0.00 O ATOM 1511 CB GLN A 96 7.809 13.261 -2.650 1.00 0.00 C ATOM 1512 CG GLN A 96 8.798 14.371 -2.959 1.00 0.00 C ATOM 1513 CD GLN A 96 8.650 14.891 -4.374 1.00 0.00 C ATOM 1514 OE1 GLN A 96 7.918 15.847 -4.627 1.00 0.00 O ATOM 1515 NE2 GLN A 96 9.329 14.246 -5.310 1.00 0.00 N ATOM 0 H GLN A 96 9.946 12.107 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 96 7.876 13.282 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.853 12.517 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.800 13.674 -2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.653 15.191 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.813 14.002 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.925 13.458 -5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.256 14.537 -6.285 1.00 0.00 H new ATOM 1524 N ILE A 97 7.624 10.197 -1.399 1.00 0.00 N ATOM 1525 CA ILE A 97 6.834 8.975 -1.335 1.00 0.00 C ATOM 1526 C ILE A 97 6.294 8.740 0.075 1.00 0.00 C ATOM 1527 O ILE A 97 5.199 8.211 0.254 1.00 0.00 O ATOM 1528 CB ILE A 97 7.666 7.749 -1.776 1.00 0.00 C ATOM 1529 CG1 ILE A 97 8.298 8.008 -3.150 1.00 0.00 C ATOM 1530 CG2 ILE A 97 6.806 6.490 -1.798 1.00 0.00 C ATOM 1531 CD1 ILE A 97 8.898 6.778 -3.795 1.00 0.00 C ATOM 0 H ILE A 97 8.604 10.047 -1.639 1.00 0.00 H new ATOM 0 HA ILE A 97 5.995 9.099 -2.020 1.00 0.00 H new ATOM 0 HB ILE A 97 8.466 7.591 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.539 8.421 -3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.075 8.765 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.413 5.640 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.408 6.304 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.982 6.625 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 97 9.324 7.045 -4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.681 6.376 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.122 6.026 -3.936 1.00 0.00 H new ATOM 1543 N CYS A 98 7.060 9.147 1.077 1.00 0.00 N ATOM 1544 CA CYS A 98 6.655 8.936 2.458 1.00 0.00 C ATOM 1545 C CYS A 98 6.161 10.236 3.086 1.00 0.00 C ATOM 1546 O CYS A 98 5.319 10.223 3.992 1.00 0.00 O ATOM 1547 CB CYS A 98 7.822 8.385 3.280 1.00 0.00 C ATOM 1548 SG CYS A 98 9.053 9.644 3.754 1.00 0.00 S ATOM 0 H CYS A 98 7.956 9.620 0.961 1.00 0.00 H new ATOM 0 HA CYS A 98 5.840 8.212 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 98 7.429 7.918 4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.319 7.603 2.707 1.00 0.00 H new ATOM 1553 N GLU A 99 6.686 11.352 2.595 1.00 0.00 N ATOM 1554 CA GLU A 99 6.460 12.649 3.213 1.00 0.00 C ATOM 1555 C GLU A 99 5.061 13.173 2.899 1.00 0.00 C ATOM 1556 O GLU A 99 4.105 12.828 3.598 1.00 0.00 O ATOM 1557 CB GLU A 99 7.530 13.633 2.737 1.00 0.00 C ATOM 1558 CG GLU A 99 7.617 14.906 3.557 1.00 0.00 C ATOM 1559 CD GLU A 99 8.741 15.803 3.089 1.00 0.00 C ATOM 1560 OE1 GLU A 99 9.910 15.528 3.436 1.00 0.00 O ATOM 1561 OE2 GLU A 99 8.465 16.781 2.365 1.00 0.00 O ATOM 0 H GLU A 99 7.276 11.382 1.763 1.00 0.00 H new ATOM 0 HA GLU A 99 6.531 12.540 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.499 13.135 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.328 13.897 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.672 15.445 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.768 14.652 4.606 1.00 0.00 H new ATOM 1568 N LEU A 100 4.956 13.992 1.845 1.00 0.00 N ATOM 1569 CA LEU A 100 3.696 14.628 1.441 1.00 0.00 C ATOM 1570 C LEU A 100 3.199 15.625 2.486 1.00 0.00 C ATOM 1571 O LEU A 100 3.116 16.823 2.206 1.00 0.00 O ATOM 1572 CB LEU A 100 2.614 13.586 1.152 1.00 0.00 C ATOM 1573 CG LEU A 100 2.815 12.779 -0.129 1.00 0.00 C ATOM 1574 CD1 LEU A 100 1.594 11.927 -0.410 1.00 0.00 C ATOM 1575 CD2 LEU A 100 3.099 13.700 -1.304 1.00 0.00 C ATOM 0 H LEU A 100 5.746 14.233 1.246 1.00 0.00 H new ATOM 0 HA LEU A 100 3.904 15.178 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.563 12.895 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.650 14.092 1.096 1.00 0.00 H new ATOM 0 HG LEU A 100 3.675 12.124 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.751 11.357 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.430 11.241 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.721 12.569 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.239 13.105 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.259 14.380 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.003 14.276 -1.105 1.00 0.00 H new ATOM 1587 N LYS A 101 2.881 15.117 3.678 1.00 0.00 N ATOM 1588 CA LYS A 101 2.361 15.916 4.787 1.00 0.00 C ATOM 1589 C LYS A 101 0.933 16.376 4.513 1.00 0.00 C ATOM 1590 O LYS A 101 0.650 17.008 3.492 1.00 0.00 O ATOM 1591 CB LYS A 101 3.263 17.119 5.077 1.00 0.00 C ATOM 1592 CG LYS A 101 4.675 16.734 5.486 1.00 0.00 C ATOM 1593 CD LYS A 101 4.683 15.904 6.760 1.00 0.00 C ATOM 1594 CE LYS A 101 6.103 15.631 7.226 1.00 0.00 C ATOM 1595 NZ LYS A 101 6.140 15.023 8.581 1.00 0.00 N ATOM 0 H LYS A 101 2.979 14.127 3.902 1.00 0.00 H new ATOM 0 HA LYS A 101 2.351 15.278 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.310 17.750 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.814 17.717 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.146 16.170 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.270 17.635 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.135 16.428 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.166 14.960 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.595 14.965 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.668 16.563 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.128 14.854 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.694 15.669 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.624 14.120 8.571 1.00 0.00 H new ATOM 1609 N TYR A 102 0.030 16.034 5.425 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.355 16.479 5.331 1.00 0.00 C ATOM 1611 C TYR A 102 -1.416 17.993 5.430 1.00 0.00 C ATOM 1612 O TYR A 102 -0.522 18.616 6.004 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.211 15.836 6.422 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.510 14.378 6.160 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.607 14.006 5.393 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -1.695 13.379 6.666 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.882 12.677 5.141 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -1.962 12.049 6.420 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.057 11.702 5.655 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.329 10.375 5.404 1.00 0.00 O ATOM 0 H TYR A 102 0.232 15.451 6.237 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.755 16.169 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.698 15.929 7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.150 16.383 6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.255 14.769 4.987 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.836 13.646 7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.739 12.404 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.317 11.282 6.824 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.491 9.866 5.390 1.00 0.00 H new ATOM 1630 N GLU A 103 -2.469 18.568 4.863 1.00 0.00 N ATOM 1631 CA GLU A 103 -2.586 20.014 4.726 1.00 0.00 C ATOM 1632 C GLU A 103 -2.605 20.705 6.082 1.00 0.00 C ATOM 1633 O GLU A 103 -3.649 20.835 6.719 1.00 0.00 O ATOM 1634 CB GLU A 103 -3.840 20.371 3.935 1.00 0.00 C ATOM 1635 CG GLU A 103 -3.942 19.630 2.612 1.00 0.00 C ATOM 1636 CD GLU A 103 -5.222 19.935 1.867 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -6.299 19.505 2.331 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -5.158 20.586 0.805 1.00 0.00 O ATOM 0 H GLU A 103 -3.262 18.048 4.487 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.709 20.368 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.719 20.147 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.849 21.444 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.090 19.895 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.881 18.557 2.796 1.00 0.00 H new ATOM 1645 N LYS A 104 -1.434 21.153 6.498 1.00 0.00 N ATOM 1646 CA LYS A 104 -1.259 21.843 7.767 1.00 0.00 C ATOM 1647 C LYS A 104 -1.370 23.348 7.560 1.00 0.00 C ATOM 1648 O LYS A 104 -1.235 24.136 8.497 1.00 0.00 O ATOM 1649 CB LYS A 104 0.099 21.482 8.400 1.00 0.00 C ATOM 1650 CG LYS A 104 1.334 21.987 7.645 1.00 0.00 C ATOM 1651 CD LYS A 104 1.475 21.363 6.262 1.00 0.00 C ATOM 1652 CE LYS A 104 2.805 21.718 5.618 1.00 0.00 C ATOM 1653 NZ LYS A 104 2.842 21.371 4.171 1.00 0.00 N ATOM 0 H LYS A 104 -0.572 21.049 5.963 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.046 21.523 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.126 21.882 9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.164 20.397 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.276 23.071 7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.227 21.768 8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.387 20.279 6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.659 21.704 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.991 22.785 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.608 21.194 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.768 21.631 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.691 20.349 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.093 21.890 3.670 1.00 0.00 H new ATOM 1667 N THR A 105 -1.608 23.730 6.315 1.00 0.00 N ATOM 1668 CA THR A 105 -1.775 25.120 5.950 1.00 0.00 C ATOM 1669 C THR A 105 -2.661 25.233 4.707 1.00 0.00 C ATOM 1670 O THR A 105 -2.155 25.071 3.576 1.00 0.00 O ATOM 1671 CB THR A 105 -0.403 25.809 5.730 1.00 0.00 C ATOM 1672 OG1 THR A 105 -0.576 27.115 5.161 1.00 0.00 O ATOM 1673 CG2 THR A 105 0.506 24.969 4.843 1.00 0.00 C ATOM 1674 OXT THR A 105 -3.877 25.466 4.872 1.00 0.00 O ATOM 0 H THR A 105 -1.690 23.082 5.532 1.00 0.00 H new ATOM 0 HA THR A 105 -2.268 25.639 6.772 1.00 0.00 H new ATOM 0 HB THR A 105 0.073 25.909 6.706 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.300 27.534 5.031 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.459 25.481 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.678 24.000 5.312 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.033 24.823 3.872 1.00 0.00 H new TER 1682 THR A 105