USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -127:sc= 1.08 USER MOD Set 1.2: A 65 TYR OH : rot 146:sc= 2.28 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.336 USER MOD Set 2.2: A 51 GLN : amide:sc= 0.352 K(o=0.69,f=-0.15) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0188 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -60:sc= 0.334 USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= -0.0536 (180deg=-1.06) USER MOD Single : A 17 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 19 THR OG1 : rot -74:sc= 0.862 USER MOD Single : A 20 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.9!) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00798) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.787 X(o=-0.79,f=-0.59) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.139 X(o=0.14,f=-0.0018) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= 1.28 (180deg=0.394) USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 1.28 (180deg=-0.039) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 72:sc= 1.05 USER MOD Single : A 60 LYS NZ :NH3+ 136:sc= 0.718 (180deg=-0.0742) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.960 2.784 13.592 1.00 0.00 N ATOM 2 CA GLY A 1 13.170 2.324 12.903 1.00 0.00 C ATOM 3 C GLY A 1 13.375 3.111 11.623 1.00 0.00 C ATOM 4 O GLY A 1 12.421 3.432 10.915 1.00 0.00 O ATOM 0 H1 GLY A 1 11.426 1.963 13.941 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.226 3.390 14.394 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.369 3.326 12.930 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.036 2.443 13.554 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.086 1.261 12.676 1.00 0.00 H new ATOM 8 N MET A 2 14.632 3.382 11.279 1.00 0.00 N ATOM 9 CA MET A 2 15.081 4.002 10.030 1.00 0.00 C ATOM 10 C MET A 2 15.037 2.990 8.889 1.00 0.00 C ATOM 11 O MET A 2 15.864 3.009 7.978 1.00 0.00 O ATOM 12 CB MET A 2 16.474 4.633 10.219 1.00 0.00 C ATOM 13 CG MET A 2 16.604 5.528 11.462 1.00 0.00 C ATOM 14 SD MET A 2 16.847 4.645 13.034 1.00 0.00 S ATOM 15 CE MET A 2 16.882 6.013 14.222 1.00 0.00 C ATOM 0 H MET A 2 15.411 3.163 11.899 1.00 0.00 H new ATOM 0 HA MET A 2 14.402 4.810 9.758 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.215 3.836 10.282 1.00 0.00 H new ATOM 0 HB3 MET A 2 16.715 5.223 9.335 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.442 6.209 11.313 1.00 0.00 H new ATOM 0 HG3 MET A 2 15.706 6.141 11.544 1.00 0.00 H new ATOM 0 HE1 MET A 2 17.025 5.618 15.228 1.00 0.00 H new ATOM 0 HE2 MET A 2 17.703 6.687 13.977 1.00 0.00 H new ATOM 0 HE3 MET A 2 15.939 6.558 14.177 1.00 0.00 H new ATOM 25 N VAL A 3 14.055 2.102 8.936 1.00 0.00 N ATOM 26 CA VAL A 3 13.668 1.252 7.844 1.00 0.00 C ATOM 27 C VAL A 3 12.923 2.161 6.873 1.00 0.00 C ATOM 28 O VAL A 3 11.928 2.803 7.229 1.00 0.00 O ATOM 29 CB VAL A 3 12.847 0.059 8.381 1.00 0.00 C ATOM 30 CG1 VAL A 3 13.600 -0.628 9.535 1.00 0.00 C ATOM 31 CG2 VAL A 3 11.453 0.431 8.896 1.00 0.00 C ATOM 0 H VAL A 3 13.490 1.956 9.773 1.00 0.00 H new ATOM 0 HA VAL A 3 14.504 0.789 7.320 1.00 0.00 H new ATOM 0 HB VAL A 3 12.718 -0.602 7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.011 -1.467 9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.563 -0.991 9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.760 0.087 10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.946 -0.465 9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.546 1.146 9.713 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.874 0.877 8.088 1.00 0.00 H new ATOM 41 N LYS A 4 13.433 2.291 5.656 1.00 0.00 N ATOM 42 CA LYS A 4 12.643 2.753 4.513 1.00 0.00 C ATOM 43 C LYS A 4 12.740 1.750 3.363 1.00 0.00 C ATOM 44 O LYS A 4 12.517 2.108 2.206 1.00 0.00 O ATOM 45 CB LYS A 4 13.005 4.187 4.085 1.00 0.00 C ATOM 46 CG LYS A 4 12.942 5.273 5.175 1.00 0.00 C ATOM 47 CD LYS A 4 14.261 5.422 5.941 1.00 0.00 C ATOM 48 CE LYS A 4 14.374 6.791 6.617 1.00 0.00 C ATOM 49 NZ LYS A 4 15.782 7.217 6.704 1.00 0.00 N ATOM 0 H LYS A 4 14.405 2.080 5.429 1.00 0.00 H new ATOM 0 HA LYS A 4 11.599 2.803 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.015 4.175 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.336 4.479 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.684 6.227 4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.144 5.031 5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.335 4.637 6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.097 5.285 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.801 7.528 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.941 6.745 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.835 8.147 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.321 6.523 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.185 7.282 5.747 1.00 0.00 H new ATOM 63 N GLU A 5 13.101 0.506 3.674 1.00 0.00 N ATOM 64 CA GLU A 5 13.358 -0.571 2.722 1.00 0.00 C ATOM 65 C GLU A 5 12.490 -1.794 3.029 1.00 0.00 C ATOM 66 O GLU A 5 12.801 -2.930 2.672 1.00 0.00 O ATOM 67 CB GLU A 5 14.873 -0.840 2.683 1.00 0.00 C ATOM 68 CG GLU A 5 15.453 -1.444 3.968 1.00 0.00 C ATOM 69 CD GLU A 5 16.910 -1.924 3.853 1.00 0.00 C ATOM 70 OE1 GLU A 5 17.698 -1.382 3.037 1.00 0.00 O ATOM 71 OE2 GLU A 5 17.299 -2.804 4.655 1.00 0.00 O ATOM 0 H GLU A 5 13.228 0.209 4.641 1.00 0.00 H new ATOM 0 HA GLU A 5 13.064 -0.283 1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.087 -1.514 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.389 0.097 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.392 -0.700 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.830 -2.286 4.271 1.00 0.00 H new ATOM 78 N THR A 6 11.371 -1.537 3.696 1.00 0.00 N ATOM 79 CA THR A 6 10.352 -2.525 3.999 1.00 0.00 C ATOM 80 C THR A 6 9.387 -2.564 2.818 1.00 0.00 C ATOM 81 O THR A 6 9.152 -1.542 2.162 1.00 0.00 O ATOM 82 CB THR A 6 9.633 -2.199 5.319 1.00 0.00 C ATOM 83 OG1 THR A 6 10.445 -1.443 6.200 1.00 0.00 O ATOM 84 CG2 THR A 6 9.245 -3.501 6.029 1.00 0.00 C ATOM 0 H THR A 6 11.145 -0.607 4.050 1.00 0.00 H new ATOM 0 HA THR A 6 10.803 -3.507 4.140 1.00 0.00 H new ATOM 0 HB THR A 6 8.752 -1.609 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.948 -1.257 7.024 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.736 -3.268 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.580 -4.081 5.388 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.143 -4.082 6.240 1.00 0.00 H new ATOM 92 N THR A 7 8.846 -3.752 2.558 1.00 0.00 N ATOM 93 CA THR A 7 8.065 -4.051 1.375 1.00 0.00 C ATOM 94 C THR A 7 6.756 -3.264 1.350 1.00 0.00 C ATOM 95 O THR A 7 6.364 -2.584 2.304 1.00 0.00 O ATOM 96 CB THR A 7 7.847 -5.573 1.314 1.00 0.00 C ATOM 97 OG1 THR A 7 7.582 -6.033 0.009 1.00 0.00 O ATOM 98 CG2 THR A 7 6.728 -6.063 2.233 1.00 0.00 C ATOM 0 H THR A 7 8.945 -4.550 3.185 1.00 0.00 H new ATOM 0 HA THR A 7 8.605 -3.737 0.482 1.00 0.00 H new ATOM 0 HB THR A 7 8.793 -5.989 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.759 -6.564 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.628 -7.144 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.967 -5.808 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.790 -5.587 1.950 1.00 0.00 H new ATOM 106 N TYR A 8 6.028 -3.476 0.262 1.00 0.00 N ATOM 107 CA TYR A 8 4.757 -2.843 -0.075 1.00 0.00 C ATOM 108 C TYR A 8 3.612 -3.124 0.904 1.00 0.00 C ATOM 109 O TYR A 8 2.525 -2.609 0.690 1.00 0.00 O ATOM 110 CB TYR A 8 4.341 -3.254 -1.498 1.00 0.00 C ATOM 111 CG TYR A 8 5.221 -2.732 -2.618 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.591 -1.372 -2.673 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.611 -3.604 -3.649 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.300 -0.875 -3.782 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.317 -3.113 -4.765 1.00 0.00 C ATOM 116 CZ TYR A 8 6.647 -1.738 -4.846 1.00 0.00 C ATOM 117 OH TYR A 8 7.283 -1.216 -5.934 1.00 0.00 O ATOM 0 H TYR A 8 6.327 -4.137 -0.455 1.00 0.00 H new ATOM 0 HA TYR A 8 4.935 -1.770 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.324 -4.343 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.321 -2.910 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.329 -0.710 -1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.369 -4.655 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.579 0.168 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.607 -3.785 -5.559 1.00 0.00 H new ATOM 0 HH TYR A 8 7.459 -1.929 -6.583 1.00 0.00 H new ATOM 127 N TYR A 9 3.807 -3.889 1.975 1.00 0.00 N ATOM 128 CA TYR A 9 2.794 -4.072 3.003 1.00 0.00 C ATOM 129 C TYR A 9 2.932 -3.000 4.091 1.00 0.00 C ATOM 130 O TYR A 9 1.957 -2.307 4.394 1.00 0.00 O ATOM 131 CB TYR A 9 2.896 -5.495 3.556 1.00 0.00 C ATOM 132 CG TYR A 9 2.322 -6.579 2.653 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.959 -6.566 2.294 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.122 -7.661 2.243 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.385 -7.654 1.611 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.559 -8.745 1.551 1.00 0.00 C ATOM 137 CZ TYR A 9 1.183 -8.755 1.242 1.00 0.00 C ATOM 138 OH TYR A 9 0.633 -9.835 0.623 1.00 0.00 O ATOM 0 H TYR A 9 4.673 -4.398 2.152 1.00 0.00 H new ATOM 0 HA TYR A 9 1.798 -3.949 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.945 -5.720 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.382 -5.533 4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.349 -5.711 2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.179 -7.658 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.668 -7.645 1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.183 -9.575 1.254 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.051 -10.231 1.203 1.00 0.00 H new ATOM 148 N ASP A 10 4.138 -2.808 4.644 1.00 0.00 N ATOM 149 CA ASP A 10 4.357 -1.928 5.806 1.00 0.00 C ATOM 150 C ASP A 10 4.016 -0.469 5.474 1.00 0.00 C ATOM 151 O ASP A 10 3.606 0.305 6.343 1.00 0.00 O ATOM 152 CB ASP A 10 5.808 -2.024 6.309 1.00 0.00 C ATOM 153 CG ASP A 10 5.867 -2.249 7.829 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.776 -3.409 8.273 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.069 -1.255 8.577 1.00 0.00 O ATOM 0 H ASP A 10 4.988 -3.256 4.301 1.00 0.00 H new ATOM 0 HA ASP A 10 3.689 -2.268 6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.317 -2.842 5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.343 -1.109 6.055 1.00 0.00 H new ATOM 160 N VAL A 11 4.102 -0.111 4.188 1.00 0.00 N ATOM 161 CA VAL A 11 3.730 1.191 3.649 1.00 0.00 C ATOM 162 C VAL A 11 2.277 1.545 4.005 1.00 0.00 C ATOM 163 O VAL A 11 1.958 2.707 4.280 1.00 0.00 O ATOM 164 CB VAL A 11 3.956 1.182 2.117 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.433 2.453 1.431 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.444 1.008 1.771 1.00 0.00 C ATOM 0 H VAL A 11 4.447 -0.749 3.471 1.00 0.00 H new ATOM 0 HA VAL A 11 4.357 1.962 4.096 1.00 0.00 H new ATOM 0 HB VAL A 11 3.387 0.331 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.619 2.390 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.362 2.548 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.947 3.324 1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.568 1.006 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.016 1.831 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.804 0.064 2.179 1.00 0.00 H new ATOM 176 N LEU A 12 1.387 0.549 4.017 1.00 0.00 N ATOM 177 CA LEU A 12 -0.031 0.706 4.343 1.00 0.00 C ATOM 178 C LEU A 12 -0.289 0.303 5.800 1.00 0.00 C ATOM 179 O LEU A 12 -1.438 0.143 6.223 1.00 0.00 O ATOM 180 CB LEU A 12 -0.893 -0.107 3.364 1.00 0.00 C ATOM 181 CG LEU A 12 -0.626 0.291 1.896 1.00 0.00 C ATOM 182 CD1 LEU A 12 0.021 -0.870 1.157 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.871 0.728 1.141 1.00 0.00 C ATOM 0 H LEU A 12 1.641 -0.414 3.794 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.311 1.754 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.688 -1.169 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.947 0.045 3.596 1.00 0.00 H new ATOM 0 HG LEU A 12 0.040 1.153 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.207 -0.584 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.965 -1.127 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.645 -1.733 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.602 0.992 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.594 -0.088 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.311 1.594 1.635 1.00 0.00 H new ATOM 195 N GLY A 13 0.779 0.098 6.572 1.00 0.00 N ATOM 196 CA GLY A 13 0.729 -0.295 7.963 1.00 0.00 C ATOM 197 C GLY A 13 0.061 -1.645 8.140 1.00 0.00 C ATOM 198 O GLY A 13 -0.498 -1.883 9.212 1.00 0.00 O ATOM 0 H GLY A 13 1.732 0.207 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.741 -0.334 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.186 0.458 8.535 1.00 0.00 H new ATOM 202 N VAL A 14 0.028 -2.494 7.111 1.00 0.00 N ATOM 203 CA VAL A 14 -0.425 -3.868 7.242 1.00 0.00 C ATOM 204 C VAL A 14 0.834 -4.722 7.363 1.00 0.00 C ATOM 205 O VAL A 14 1.856 -4.426 6.741 1.00 0.00 O ATOM 206 CB VAL A 14 -1.345 -4.284 6.073 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.572 -3.380 5.941 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.680 -4.325 4.695 1.00 0.00 C ATOM 0 H VAL A 14 0.316 -2.242 6.166 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.048 -4.003 8.126 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.623 -5.300 6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.184 -3.717 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.157 -3.424 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.250 -2.354 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.412 -4.628 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.296 -3.336 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.142 -5.041 4.709 1.00 0.00 H new ATOM 218 N LYS A 15 0.772 -5.787 8.160 1.00 0.00 N ATOM 219 CA LYS A 15 1.907 -6.690 8.291 1.00 0.00 C ATOM 220 C LYS A 15 2.267 -7.318 6.945 1.00 0.00 C ATOM 221 O LYS A 15 1.378 -7.501 6.112 1.00 0.00 O ATOM 222 CB LYS A 15 1.694 -7.737 9.393 1.00 0.00 C ATOM 223 CG LYS A 15 0.260 -8.168 9.726 1.00 0.00 C ATOM 224 CD LYS A 15 -0.507 -8.823 8.574 1.00 0.00 C ATOM 225 CE LYS A 15 -1.828 -9.425 9.101 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.585 -10.221 8.102 1.00 0.00 N ATOM 0 H LYS A 15 -0.043 -6.042 8.718 1.00 0.00 H new ATOM 0 HA LYS A 15 2.764 -6.096 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.252 -8.631 9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.145 -7.352 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.292 -8.865 10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.297 -7.293 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.716 -8.086 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.102 -9.603 8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.606 -10.059 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.464 -8.615 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.213 -10.888 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.154 -9.583 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.919 -10.749 7.503 1.00 0.00 H new ATOM 240 N PRO A 16 3.514 -7.781 6.749 1.00 0.00 N ATOM 241 CA PRO A 16 3.900 -8.463 5.520 1.00 0.00 C ATOM 242 C PRO A 16 3.126 -9.770 5.286 1.00 0.00 C ATOM 243 O PRO A 16 3.132 -10.297 4.176 1.00 0.00 O ATOM 244 CB PRO A 16 5.416 -8.659 5.598 1.00 0.00 C ATOM 245 CG PRO A 16 5.705 -8.621 7.096 1.00 0.00 C ATOM 246 CD PRO A 16 4.661 -7.642 7.635 1.00 0.00 C ATOM 0 HA PRO A 16 3.639 -7.863 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.721 -9.607 5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.950 -7.872 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.603 -9.607 7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.720 -8.279 7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.394 -7.879 8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.040 -6.620 7.631 1.00 0.00 H new ATOM 254 N ASN A 17 2.413 -10.283 6.293 1.00 0.00 N ATOM 255 CA ASN A 17 1.499 -11.413 6.161 1.00 0.00 C ATOM 256 C ASN A 17 0.072 -10.976 5.757 1.00 0.00 C ATOM 257 O ASN A 17 -0.888 -11.695 6.038 1.00 0.00 O ATOM 258 CB ASN A 17 1.520 -12.232 7.466 1.00 0.00 C ATOM 259 CG ASN A 17 0.933 -13.622 7.256 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.133 -13.944 7.769 1.00 0.00 O ATOM 261 ND2 ASN A 17 1.621 -14.477 6.521 1.00 0.00 N ATOM 0 H ASN A 17 2.459 -9.913 7.243 1.00 0.00 H new ATOM 0 HA ASN A 17 1.841 -12.048 5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.545 -12.318 7.827 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.954 -11.708 8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.267 -15.422 6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.506 -14.192 6.102 1.00 0.00 H new ATOM 268 N ALA A 18 -0.138 -9.778 5.195 1.00 0.00 N ATOM 269 CA ALA A 18 -1.479 -9.295 4.848 1.00 0.00 C ATOM 270 C ALA A 18 -2.047 -9.950 3.581 1.00 0.00 C ATOM 271 O ALA A 18 -1.317 -10.582 2.816 1.00 0.00 O ATOM 272 CB ALA A 18 -1.502 -7.770 4.745 1.00 0.00 C ATOM 0 H ALA A 18 0.610 -9.122 4.970 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.137 -9.595 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.508 -7.438 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.211 -7.336 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.804 -7.447 3.973 1.00 0.00 H new ATOM 278 N THR A 19 -3.353 -9.793 3.368 1.00 0.00 N ATOM 279 CA THR A 19 -4.157 -10.383 2.297 1.00 0.00 C ATOM 280 C THR A 19 -4.721 -9.291 1.375 1.00 0.00 C ATOM 281 O THR A 19 -4.734 -8.113 1.737 1.00 0.00 O ATOM 282 CB THR A 19 -5.293 -11.223 2.920 1.00 0.00 C ATOM 283 OG1 THR A 19 -5.930 -10.574 3.979 1.00 0.00 O ATOM 284 CG2 THR A 19 -4.830 -12.589 3.423 1.00 0.00 C ATOM 0 H THR A 19 -3.918 -9.208 3.984 1.00 0.00 H new ATOM 0 HA THR A 19 -3.527 -11.032 1.688 1.00 0.00 H new ATOM 0 HB THR A 19 -5.994 -11.361 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.346 -10.581 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.678 -13.127 3.848 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.417 -13.162 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.065 -12.455 4.188 1.00 0.00 H new ATOM 292 N GLN A 20 -5.252 -9.656 0.199 1.00 0.00 N ATOM 293 CA GLN A 20 -5.859 -8.702 -0.737 1.00 0.00 C ATOM 294 C GLN A 20 -7.086 -8.022 -0.112 1.00 0.00 C ATOM 295 O GLN A 20 -7.408 -6.876 -0.433 1.00 0.00 O ATOM 296 CB GLN A 20 -6.277 -9.377 -2.053 1.00 0.00 C ATOM 297 CG GLN A 20 -5.315 -10.414 -2.650 1.00 0.00 C ATOM 298 CD GLN A 20 -4.119 -9.821 -3.374 1.00 0.00 C ATOM 299 OE1 GLN A 20 -3.820 -10.215 -4.494 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.380 -8.917 -2.754 1.00 0.00 N ATOM 0 H GLN A 20 -5.272 -10.622 -0.129 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.097 -7.953 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.239 -9.863 -1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.435 -8.596 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.955 -11.060 -1.849 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.868 -11.046 -3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.641 -8.598 -1.821 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.549 -8.539 -3.209 1.00 0.00 H new ATOM 309 N GLU A 21 -7.800 -8.718 0.775 1.00 0.00 N ATOM 310 CA GLU A 21 -8.937 -8.141 1.475 1.00 0.00 C ATOM 311 C GLU A 21 -8.486 -7.096 2.487 1.00 0.00 C ATOM 312 O GLU A 21 -9.156 -6.069 2.646 1.00 0.00 O ATOM 313 CB GLU A 21 -9.738 -9.233 2.180 1.00 0.00 C ATOM 314 CG GLU A 21 -10.390 -10.177 1.181 1.00 0.00 C ATOM 315 CD GLU A 21 -11.664 -10.766 1.754 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.574 -11.721 2.563 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.737 -10.220 1.429 1.00 0.00 O ATOM 0 H GLU A 21 -7.605 -9.688 1.023 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.571 -7.653 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.081 -9.798 2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.505 -8.777 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.614 -9.641 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.697 -10.978 0.924 1.00 0.00 H new ATOM 324 N GLU A 22 -7.357 -7.351 3.145 1.00 0.00 N ATOM 325 CA GLU A 22 -6.736 -6.427 4.076 1.00 0.00 C ATOM 326 C GLU A 22 -6.195 -5.223 3.319 1.00 0.00 C ATOM 327 O GLU A 22 -6.391 -4.115 3.805 1.00 0.00 O ATOM 328 CB GLU A 22 -5.637 -7.122 4.884 1.00 0.00 C ATOM 329 CG GLU A 22 -6.243 -8.142 5.851 1.00 0.00 C ATOM 330 CD GLU A 22 -5.139 -8.895 6.589 1.00 0.00 C ATOM 331 OE1 GLU A 22 -4.425 -9.691 5.944 1.00 0.00 O ATOM 332 OE2 GLU A 22 -4.963 -8.706 7.808 1.00 0.00 O ATOM 0 H GLU A 22 -6.842 -8.225 3.040 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.486 -6.079 4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.942 -7.621 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.064 -6.381 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.888 -7.634 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.868 -8.846 5.302 1.00 0.00 H new ATOM 339 N LEU A 23 -5.621 -5.368 2.108 1.00 0.00 N ATOM 340 CA LEU A 23 -5.270 -4.210 1.303 1.00 0.00 C ATOM 341 C LEU A 23 -6.451 -3.258 1.191 1.00 0.00 C ATOM 342 O LEU A 23 -6.279 -2.078 1.472 1.00 0.00 O ATOM 343 CB LEU A 23 -4.788 -4.597 -0.101 1.00 0.00 C ATOM 344 CG LEU A 23 -3.283 -4.834 -0.256 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.424 -3.643 0.197 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.775 -6.109 0.400 1.00 0.00 C ATOM 0 H LEU A 23 -5.398 -6.267 1.682 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.445 -3.714 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.311 -5.504 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.084 -3.810 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.166 -4.953 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.369 -3.882 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.678 -2.765 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.614 -3.437 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.700 -6.197 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.982 -6.075 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.278 -6.970 -0.040 1.00 0.00 H new ATOM 358 N LYS A 24 -7.643 -3.744 0.836 1.00 0.00 N ATOM 359 CA LYS A 24 -8.826 -2.895 0.711 1.00 0.00 C ATOM 360 C LYS A 24 -9.206 -2.285 2.066 1.00 0.00 C ATOM 361 O LYS A 24 -9.288 -1.061 2.199 1.00 0.00 O ATOM 362 CB LYS A 24 -9.966 -3.716 0.079 1.00 0.00 C ATOM 363 CG LYS A 24 -11.086 -2.867 -0.539 1.00 0.00 C ATOM 364 CD LYS A 24 -10.674 -2.276 -1.901 1.00 0.00 C ATOM 365 CE LYS A 24 -11.825 -1.536 -2.596 1.00 0.00 C ATOM 366 NZ LYS A 24 -12.273 -0.360 -1.826 1.00 0.00 N ATOM 0 H LYS A 24 -7.813 -4.728 0.629 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.616 -2.052 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.548 -4.363 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.396 -4.366 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.979 -3.480 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.347 -2.058 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.840 -1.589 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.319 -3.078 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.505 -1.219 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.663 -2.219 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.016 0.139 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.650 -0.670 -0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.469 0.281 -1.671 1.00 0.00 H new ATOM 380 N LYS A 25 -9.456 -3.118 3.086 1.00 0.00 N ATOM 381 CA LYS A 25 -9.951 -2.637 4.382 1.00 0.00 C ATOM 382 C LYS A 25 -8.935 -1.752 5.107 1.00 0.00 C ATOM 383 O LYS A 25 -9.372 -0.896 5.870 1.00 0.00 O ATOM 384 CB LYS A 25 -10.375 -3.796 5.307 1.00 0.00 C ATOM 385 CG LYS A 25 -11.717 -4.459 4.925 1.00 0.00 C ATOM 386 CD LYS A 25 -12.301 -5.206 6.136 1.00 0.00 C ATOM 387 CE LYS A 25 -13.712 -5.787 5.946 1.00 0.00 C ATOM 388 NZ LYS A 25 -13.751 -7.225 5.595 1.00 0.00 N ATOM 0 H LYS A 25 -9.323 -4.128 3.038 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.828 -2.032 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.593 -4.556 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.446 -3.422 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.421 -3.701 4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.566 -5.153 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.625 -6.020 6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.321 -4.523 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.278 -5.637 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.219 -5.223 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.740 -7.529 5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.242 -7.378 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.299 -7.779 6.350 1.00 0.00 H new ATOM 402 N ALA A 26 -7.627 -1.880 4.881 1.00 0.00 N ATOM 403 CA ALA A 26 -6.641 -1.005 5.497 1.00 0.00 C ATOM 404 C ALA A 26 -6.424 0.265 4.675 1.00 0.00 C ATOM 405 O ALA A 26 -6.311 1.347 5.249 1.00 0.00 O ATOM 406 CB ALA A 26 -5.336 -1.753 5.728 1.00 0.00 C ATOM 0 H ALA A 26 -7.227 -2.591 4.268 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.027 -0.691 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.610 -1.084 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.515 -2.603 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.947 -2.109 4.774 1.00 0.00 H new ATOM 412 N TYR A 27 -6.422 0.162 3.346 1.00 0.00 N ATOM 413 CA TYR A 27 -6.135 1.272 2.438 1.00 0.00 C ATOM 414 C TYR A 27 -7.134 2.388 2.685 1.00 0.00 C ATOM 415 O TYR A 27 -6.744 3.532 2.915 1.00 0.00 O ATOM 416 CB TYR A 27 -6.182 0.829 0.966 1.00 0.00 C ATOM 417 CG TYR A 27 -6.152 1.979 -0.019 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.925 2.515 -0.442 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.359 2.535 -0.478 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.898 3.615 -1.319 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.344 3.619 -1.368 1.00 0.00 C ATOM 422 CZ TYR A 27 -6.112 4.162 -1.792 1.00 0.00 C ATOM 423 OH TYR A 27 -6.097 5.207 -2.658 1.00 0.00 O ATOM 0 H TYR A 27 -6.624 -0.712 2.861 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.124 1.628 2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.337 0.170 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.087 0.245 0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.999 2.082 -0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.301 2.126 -0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.954 4.039 -1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.273 4.037 -1.728 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.017 5.459 -2.883 1.00 0.00 H new ATOM 433 N ARG A 28 -8.432 2.058 2.698 1.00 0.00 N ATOM 434 CA ARG A 28 -9.496 3.038 2.882 1.00 0.00 C ATOM 435 C ARG A 28 -9.323 3.861 4.164 1.00 0.00 C ATOM 436 O ARG A 28 -9.692 5.032 4.178 1.00 0.00 O ATOM 437 CB ARG A 28 -10.863 2.327 2.817 1.00 0.00 C ATOM 438 CG ARG A 28 -11.662 2.730 1.575 1.00 0.00 C ATOM 439 CD ARG A 28 -13.158 2.451 1.785 1.00 0.00 C ATOM 440 NE ARG A 28 -13.977 2.761 0.597 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.395 3.971 0.203 1.00 0.00 C ATOM 442 NH1 ARG A 28 -13.959 5.071 0.808 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.255 4.104 -0.799 1.00 0.00 N ATOM 0 H ARG A 28 -8.768 1.102 2.581 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.443 3.763 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.710 1.248 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.439 2.566 3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.509 3.789 1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.301 2.177 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.292 1.402 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.516 3.040 2.630 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.254 1.971 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.298 5.000 1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.285 5.987 0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.608 3.277 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.563 5.033 -1.087 1.00 0.00 H new ATOM 457 N LYS A 29 -8.718 3.300 5.218 1.00 0.00 N ATOM 458 CA LYS A 29 -8.403 4.024 6.455 1.00 0.00 C ATOM 459 C LYS A 29 -7.467 5.187 6.126 1.00 0.00 C ATOM 460 O LYS A 29 -7.733 6.337 6.481 1.00 0.00 O ATOM 461 CB LYS A 29 -7.722 3.114 7.506 1.00 0.00 C ATOM 462 CG LYS A 29 -8.375 1.736 7.694 1.00 0.00 C ATOM 463 CD LYS A 29 -7.615 0.771 8.624 1.00 0.00 C ATOM 464 CE LYS A 29 -6.079 0.818 8.525 1.00 0.00 C ATOM 465 NZ LYS A 29 -5.421 -0.209 9.359 1.00 0.00 N ATOM 0 H LYS A 29 -8.431 2.321 5.236 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.341 4.383 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.681 2.969 7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.719 3.632 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.381 1.879 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.481 1.265 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.901 0.987 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.944 -0.246 8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.782 0.681 7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.730 1.805 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.389 -0.132 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.680 -0.065 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.730 -1.154 9.054 1.00 0.00 H new ATOM 479 N LEU A 30 -6.342 4.867 5.488 1.00 0.00 N ATOM 480 CA LEU A 30 -5.214 5.759 5.283 1.00 0.00 C ATOM 481 C LEU A 30 -5.496 6.730 4.145 1.00 0.00 C ATOM 482 O LEU A 30 -5.141 7.898 4.254 1.00 0.00 O ATOM 483 CB LEU A 30 -3.946 4.937 5.032 1.00 0.00 C ATOM 484 CG LEU A 30 -3.512 4.117 6.265 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.505 3.048 5.859 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.898 4.989 7.364 1.00 0.00 C ATOM 0 H LEU A 30 -6.191 3.942 5.086 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.058 6.357 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.116 4.262 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.136 5.606 4.743 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.414 3.656 6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.207 2.476 6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.959 2.379 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.627 3.523 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.610 4.362 8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.017 5.499 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.629 5.728 7.693 1.00 0.00 H new ATOM 498 N ALA A 31 -6.188 6.296 3.091 1.00 0.00 N ATOM 499 CA ALA A 31 -6.608 7.169 2.003 1.00 0.00 C ATOM 500 C ALA A 31 -7.464 8.329 2.522 1.00 0.00 C ATOM 501 O ALA A 31 -7.376 9.429 1.989 1.00 0.00 O ATOM 502 CB ALA A 31 -7.373 6.349 0.962 1.00 0.00 C ATOM 0 H ALA A 31 -6.472 5.324 2.971 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.723 7.603 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.689 7.000 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.726 5.564 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.250 5.898 1.427 1.00 0.00 H new ATOM 508 N LEU A 32 -8.265 8.102 3.570 1.00 0.00 N ATOM 509 CA LEU A 32 -9.070 9.137 4.209 1.00 0.00 C ATOM 510 C LEU A 32 -8.255 10.010 5.174 1.00 0.00 C ATOM 511 O LEU A 32 -8.724 11.095 5.511 1.00 0.00 O ATOM 512 CB LEU A 32 -10.254 8.477 4.940 1.00 0.00 C ATOM 513 CG LEU A 32 -11.313 7.872 3.993 1.00 0.00 C ATOM 514 CD1 LEU A 32 -12.329 7.031 4.777 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.084 8.951 3.229 1.00 0.00 C ATOM 0 H LEU A 32 -8.370 7.183 3.999 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.438 9.804 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.873 7.692 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.733 9.219 5.579 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.768 7.249 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.065 6.615 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.812 6.220 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.833 7.660 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.818 8.480 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.595 9.603 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.389 9.539 2.630 1.00 0.00 H new ATOM 527 N LYS A 33 -7.069 9.574 5.619 1.00 0.00 N ATOM 528 CA LYS A 33 -6.138 10.379 6.417 1.00 0.00 C ATOM 529 C LYS A 33 -5.356 11.292 5.477 1.00 0.00 C ATOM 530 O LYS A 33 -5.471 12.508 5.574 1.00 0.00 O ATOM 531 CB LYS A 33 -5.219 9.462 7.262 1.00 0.00 C ATOM 532 CG LYS A 33 -3.985 10.138 7.898 1.00 0.00 C ATOM 533 CD LYS A 33 -4.309 11.227 8.931 1.00 0.00 C ATOM 534 CE LYS A 33 -4.710 10.663 10.305 1.00 0.00 C ATOM 535 NZ LYS A 33 -5.863 11.384 10.890 1.00 0.00 N ATOM 0 H LYS A 33 -6.724 8.633 5.430 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.681 11.004 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.816 9.018 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.874 8.644 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.375 9.372 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.380 10.577 7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.440 11.874 9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.119 11.849 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.958 9.606 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.860 10.728 10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.098 10.970 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.619 12.388 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.683 11.301 10.255 1.00 0.00 H new ATOM 549 N TYR A 34 -4.570 10.708 4.573 1.00 0.00 N ATOM 550 CA TYR A 34 -3.635 11.410 3.697 1.00 0.00 C ATOM 551 C TYR A 34 -4.333 12.096 2.516 1.00 0.00 C ATOM 552 O TYR A 34 -3.651 12.507 1.577 1.00 0.00 O ATOM 553 CB TYR A 34 -2.555 10.425 3.208 1.00 0.00 C ATOM 554 CG TYR A 34 -1.750 9.806 4.336 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.763 10.563 4.996 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.988 8.480 4.745 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.057 10.017 6.082 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.280 7.928 5.818 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.347 8.711 6.527 1.00 0.00 C ATOM 560 OH TYR A 34 0.217 8.232 7.666 1.00 0.00 O ATOM 0 H TYR A 34 -4.567 9.699 4.426 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.167 12.207 4.275 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.031 9.631 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.878 10.946 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.547 11.568 4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.724 7.884 4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.708 10.598 6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.449 6.900 6.103 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.093 7.316 7.825 1.00 0.00 H new ATOM 570 N HIS A 35 -5.669 12.193 2.510 1.00 0.00 N ATOM 571 CA HIS A 35 -6.382 12.728 1.361 1.00 0.00 C ATOM 572 C HIS A 35 -5.920 14.177 1.145 1.00 0.00 C ATOM 573 O HIS A 35 -5.812 14.920 2.125 1.00 0.00 O ATOM 574 CB HIS A 35 -7.900 12.657 1.628 1.00 0.00 C ATOM 575 CG HIS A 35 -8.710 12.462 0.374 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.659 13.320 -0.133 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.600 11.403 -0.487 1.00 0.00 C ATOM 578 CE1 HIS A 35 -10.072 12.812 -1.305 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.468 11.638 -1.561 1.00 0.00 N ATOM 0 H HIS A 35 -6.267 11.908 3.286 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.171 12.149 0.462 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.104 11.837 2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.220 13.575 2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.960 10.542 -0.361 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.793 13.283 -1.956 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.613 11.039 -2.374 1.00 0.00 H new ATOM 587 N PRO A 36 -5.770 14.647 -0.104 1.00 0.00 N ATOM 588 CA PRO A 36 -5.106 15.918 -0.371 1.00 0.00 C ATOM 589 C PRO A 36 -5.946 17.081 0.152 1.00 0.00 C ATOM 590 O PRO A 36 -5.417 17.980 0.792 1.00 0.00 O ATOM 591 CB PRO A 36 -4.911 15.970 -1.888 1.00 0.00 C ATOM 592 CG PRO A 36 -5.921 14.970 -2.444 1.00 0.00 C ATOM 593 CD PRO A 36 -5.996 13.925 -1.342 1.00 0.00 C ATOM 0 HA PRO A 36 -4.146 16.001 0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.092 16.972 -2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.892 15.700 -2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.890 15.433 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.587 14.540 -3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.968 13.431 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.244 13.149 -1.486 1.00 0.00 H new ATOM 601 N ASP A 37 -7.262 16.998 -0.058 1.00 0.00 N ATOM 602 CA ASP A 37 -8.295 17.944 0.355 1.00 0.00 C ATOM 603 C ASP A 37 -8.193 18.351 1.827 1.00 0.00 C ATOM 604 O ASP A 37 -8.491 19.490 2.190 1.00 0.00 O ATOM 605 CB ASP A 37 -9.633 17.248 0.099 1.00 0.00 C ATOM 606 CG ASP A 37 -10.844 18.080 0.516 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.119 19.100 -0.145 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.598 17.625 1.407 1.00 0.00 O ATOM 0 H ASP A 37 -7.661 16.205 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.184 18.869 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.713 17.012 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.650 16.301 0.639 1.00 0.00 H new ATOM 613 N LYS A 38 -7.760 17.429 2.693 1.00 0.00 N ATOM 614 CA LYS A 38 -7.673 17.643 4.131 1.00 0.00 C ATOM 615 C LYS A 38 -6.259 17.489 4.678 1.00 0.00 C ATOM 616 O LYS A 38 -6.108 17.658 5.891 1.00 0.00 O ATOM 617 CB LYS A 38 -8.648 16.689 4.839 1.00 0.00 C ATOM 618 CG LYS A 38 -10.124 17.009 4.574 1.00 0.00 C ATOM 619 CD LYS A 38 -10.490 18.435 5.014 1.00 0.00 C ATOM 620 CE LYS A 38 -11.980 18.562 5.318 1.00 0.00 C ATOM 621 NZ LYS A 38 -12.340 19.952 5.653 1.00 0.00 N ATOM 0 H LYS A 38 -7.456 16.499 2.404 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.951 18.678 4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.443 15.668 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.464 16.727 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.336 16.892 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.752 16.293 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.913 18.703 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.216 19.140 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.559 18.231 4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.242 17.906 6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.359 20.008 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.804 20.257 6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.112 20.573 4.850 1.00 0.00 H new ATOM 635 N ASN A 39 -5.255 17.175 3.858 1.00 0.00 N ATOM 636 CA ASN A 39 -3.873 17.093 4.312 1.00 0.00 C ATOM 637 C ASN A 39 -2.893 17.349 3.158 1.00 0.00 C ATOM 638 O ASN A 39 -2.048 16.497 2.863 1.00 0.00 O ATOM 639 CB ASN A 39 -3.621 15.740 4.998 1.00 0.00 C ATOM 640 CG ASN A 39 -2.540 15.874 6.051 1.00 0.00 C ATOM 641 OD1 ASN A 39 -2.816 15.904 7.246 1.00 0.00 O ATOM 642 ND2 ASN A 39 -1.298 15.975 5.637 1.00 0.00 N ATOM 0 H ASN A 39 -5.379 16.972 2.866 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.698 17.877 5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.542 15.381 5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.325 14.999 4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.542 16.081 6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.089 15.948 4.639 1.00 0.00 H new ATOM 649 N PRO A 40 -2.925 18.529 2.512 1.00 0.00 N ATOM 650 CA PRO A 40 -2.170 18.804 1.291 1.00 0.00 C ATOM 651 C PRO A 40 -0.653 18.732 1.486 1.00 0.00 C ATOM 652 O PRO A 40 0.092 18.613 0.513 1.00 0.00 O ATOM 653 CB PRO A 40 -2.601 20.205 0.844 1.00 0.00 C ATOM 654 CG PRO A 40 -3.168 20.860 2.099 1.00 0.00 C ATOM 655 CD PRO A 40 -3.702 19.687 2.911 1.00 0.00 C ATOM 0 HA PRO A 40 -2.386 18.044 0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.757 20.771 0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.349 20.155 0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.401 21.409 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.957 21.572 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.599 19.875 3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.763 19.530 2.716 1.00 0.00 H new ATOM 663 N ASN A 41 -0.176 18.764 2.736 1.00 0.00 N ATOM 664 CA ASN A 41 1.242 18.593 3.035 1.00 0.00 C ATOM 665 C ASN A 41 1.751 17.182 2.740 1.00 0.00 C ATOM 666 O ASN A 41 2.959 16.966 2.713 1.00 0.00 O ATOM 667 CB ASN A 41 1.530 18.910 4.507 1.00 0.00 C ATOM 668 CG ASN A 41 2.799 19.732 4.601 1.00 0.00 C ATOM 669 OD1 ASN A 41 3.883 19.190 4.758 1.00 0.00 O ATOM 670 ND2 ASN A 41 2.683 21.042 4.450 1.00 0.00 N ATOM 0 H ASN A 41 -0.760 18.908 3.559 1.00 0.00 H new ATOM 0 HA ASN A 41 1.766 19.290 2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.695 19.458 4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.638 17.986 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.515 21.632 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.762 21.461 4.321 1.00 0.00 H new ATOM 677 N GLU A 42 0.848 16.216 2.563 1.00 0.00 N ATOM 678 CA GLU A 42 1.159 14.792 2.485 1.00 0.00 C ATOM 679 C GLU A 42 0.613 14.200 1.180 1.00 0.00 C ATOM 680 O GLU A 42 0.575 12.981 1.023 1.00 0.00 O ATOM 681 CB GLU A 42 0.666 14.089 3.777 1.00 0.00 C ATOM 682 CG GLU A 42 1.493 14.601 4.977 1.00 0.00 C ATOM 683 CD GLU A 42 1.186 13.978 6.342 1.00 0.00 C ATOM 684 OE1 GLU A 42 1.574 12.809 6.585 1.00 0.00 O ATOM 685 OE2 GLU A 42 0.628 14.686 7.210 1.00 0.00 O ATOM 0 H GLU A 42 -0.149 16.411 2.467 1.00 0.00 H new ATOM 0 HA GLU A 42 2.236 14.626 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.393 14.293 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.772 13.008 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.548 14.436 4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.348 15.679 5.055 1.00 0.00 H new ATOM 692 N GLY A 43 0.230 15.056 0.224 1.00 0.00 N ATOM 693 CA GLY A 43 -0.356 14.637 -1.038 1.00 0.00 C ATOM 694 C GLY A 43 0.601 13.800 -1.894 1.00 0.00 C ATOM 695 O GLY A 43 0.124 12.914 -2.602 1.00 0.00 O ATOM 0 H GLY A 43 0.323 16.068 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.258 14.058 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.661 15.519 -1.601 1.00 0.00 H new ATOM 699 N GLU A 44 1.926 14.001 -1.824 1.00 0.00 N ATOM 700 CA GLU A 44 2.856 13.119 -2.506 1.00 0.00 C ATOM 701 C GLU A 44 3.098 11.854 -1.672 1.00 0.00 C ATOM 702 O GLU A 44 3.234 10.786 -2.254 1.00 0.00 O ATOM 703 CB GLU A 44 4.141 13.871 -2.889 1.00 0.00 C ATOM 704 CG GLU A 44 5.118 12.910 -3.571 1.00 0.00 C ATOM 705 CD GLU A 44 6.132 13.569 -4.512 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.776 14.584 -4.146 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.328 13.068 -5.639 1.00 0.00 O ATOM 0 H GLU A 44 2.364 14.762 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 44 2.421 12.784 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.904 14.699 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.601 14.301 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.663 12.364 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.545 12.176 -4.137 1.00 0.00 H new ATOM 714 N LYS A 45 3.025 11.904 -0.333 1.00 0.00 N ATOM 715 CA LYS A 45 3.100 10.694 0.502 1.00 0.00 C ATOM 716 C LYS A 45 1.954 9.724 0.194 1.00 0.00 C ATOM 717 O LYS A 45 2.073 8.522 0.434 1.00 0.00 O ATOM 718 CB LYS A 45 3.073 11.063 1.991 1.00 0.00 C ATOM 719 CG LYS A 45 3.758 9.980 2.841 1.00 0.00 C ATOM 720 CD LYS A 45 3.395 10.053 4.327 1.00 0.00 C ATOM 721 CE LYS A 45 4.011 11.294 4.970 1.00 0.00 C ATOM 722 NZ LYS A 45 3.859 11.291 6.432 1.00 0.00 N ATOM 0 H LYS A 45 2.914 12.769 0.195 1.00 0.00 H new ATOM 0 HA LYS A 45 4.042 10.198 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.574 12.019 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.041 11.189 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.483 8.998 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.839 10.074 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.311 10.077 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.750 9.158 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.070 11.346 4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.540 12.187 4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.647 11.815 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.959 11.745 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.863 10.311 6.779 1.00 0.00 H new ATOM 736 N PHE A 46 0.841 10.229 -0.336 1.00 0.00 N ATOM 737 CA PHE A 46 -0.226 9.410 -0.888 1.00 0.00 C ATOM 738 C PHE A 46 0.327 8.457 -1.953 1.00 0.00 C ATOM 739 O PHE A 46 -0.053 7.292 -1.980 1.00 0.00 O ATOM 740 CB PHE A 46 -1.324 10.303 -1.481 1.00 0.00 C ATOM 741 CG PHE A 46 -2.759 9.806 -1.365 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.083 8.434 -1.325 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.801 10.749 -1.386 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.422 8.014 -1.285 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.142 10.328 -1.378 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.455 8.962 -1.305 1.00 0.00 C ATOM 0 H PHE A 46 0.657 11.231 -0.393 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.659 8.812 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.264 11.279 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.103 10.455 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.292 7.698 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.570 11.804 -1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.656 6.961 -1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.935 11.059 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.486 8.643 -1.264 1.00 0.00 H new ATOM 756 N LYS A 47 1.239 8.923 -2.806 1.00 0.00 N ATOM 757 CA LYS A 47 1.802 8.158 -3.912 1.00 0.00 C ATOM 758 C LYS A 47 2.513 6.885 -3.464 1.00 0.00 C ATOM 759 O LYS A 47 2.501 5.900 -4.205 1.00 0.00 O ATOM 760 CB LYS A 47 2.760 9.052 -4.714 1.00 0.00 C ATOM 761 CG LYS A 47 2.708 8.744 -6.214 1.00 0.00 C ATOM 762 CD LYS A 47 3.927 9.284 -6.965 1.00 0.00 C ATOM 763 CE LYS A 47 4.029 10.787 -6.753 1.00 0.00 C ATOM 764 NZ LYS A 47 5.155 11.373 -7.497 1.00 0.00 N ATOM 0 H LYS A 47 1.615 9.869 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 47 0.970 7.836 -4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.504 10.098 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.778 8.912 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.645 7.665 -6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.802 9.176 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.833 8.794 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.840 9.061 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.100 11.262 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.149 10.996 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.692 12.007 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.779 10.614 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.792 11.913 -8.308 1.00 0.00 H new ATOM 778 N GLN A 48 3.117 6.864 -2.271 1.00 0.00 N ATOM 779 CA GLN A 48 3.644 5.626 -1.703 1.00 0.00 C ATOM 780 C GLN A 48 2.510 4.620 -1.504 1.00 0.00 C ATOM 781 O GLN A 48 2.676 3.441 -1.831 1.00 0.00 O ATOM 782 CB GLN A 48 4.355 5.901 -0.364 1.00 0.00 C ATOM 783 CG GLN A 48 5.856 6.171 -0.538 1.00 0.00 C ATOM 784 CD GLN A 48 6.725 5.182 0.236 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.251 5.513 1.295 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.900 3.958 -0.241 1.00 0.00 N ATOM 0 H GLN A 48 3.251 7.688 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 48 4.373 5.207 -2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.889 6.759 0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.218 5.046 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.110 6.121 -1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.080 7.184 -0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.462 3.686 -1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.473 3.288 0.272 1.00 0.00 H new ATOM 795 N ILE A 49 1.371 5.090 -0.992 1.00 0.00 N ATOM 796 CA ILE A 49 0.200 4.274 -0.711 1.00 0.00 C ATOM 797 C ILE A 49 -0.305 3.708 -2.041 1.00 0.00 C ATOM 798 O ILE A 49 -0.563 2.510 -2.115 1.00 0.00 O ATOM 799 CB ILE A 49 -0.902 5.062 0.050 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.353 6.028 1.117 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.867 4.091 0.741 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.439 6.859 1.809 1.00 0.00 C ATOM 0 H ILE A 49 1.239 6.074 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 49 0.474 3.458 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.409 5.658 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.189 5.455 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.366 6.701 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.634 4.656 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.338 3.452 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.316 3.474 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.979 7.516 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.966 7.459 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.145 6.194 2.305 1.00 0.00 H new ATOM 814 N SER A 50 -0.436 4.537 -3.086 1.00 0.00 N ATOM 815 CA SER A 50 -0.856 4.108 -4.402 1.00 0.00 C ATOM 816 C SER A 50 0.080 3.067 -5.007 1.00 0.00 C ATOM 817 O SER A 50 -0.402 2.004 -5.382 1.00 0.00 O ATOM 818 CB SER A 50 -1.060 5.300 -5.330 1.00 0.00 C ATOM 819 OG SER A 50 -1.156 6.558 -4.686 1.00 0.00 O ATOM 0 H SER A 50 -0.247 5.538 -3.026 1.00 0.00 H new ATOM 0 HA SER A 50 -1.820 3.613 -4.282 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.232 5.335 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.968 5.137 -5.910 1.00 0.00 H new ATOM 0 HG SER A 50 -1.284 7.260 -5.357 1.00 0.00 H new ATOM 825 N GLN A 51 1.391 3.334 -5.080 1.00 0.00 N ATOM 826 CA GLN A 51 2.366 2.411 -5.655 1.00 0.00 C ATOM 827 C GLN A 51 2.246 1.043 -4.981 1.00 0.00 C ATOM 828 O GLN A 51 2.208 0.015 -5.651 1.00 0.00 O ATOM 829 CB GLN A 51 3.779 3.014 -5.500 1.00 0.00 C ATOM 830 CG GLN A 51 4.943 2.085 -5.900 1.00 0.00 C ATOM 831 CD GLN A 51 4.943 1.697 -7.380 1.00 0.00 C ATOM 832 OE1 GLN A 51 4.353 2.383 -8.205 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.586 0.603 -7.751 1.00 0.00 N ATOM 0 H GLN A 51 1.802 4.203 -4.739 1.00 0.00 H new ATOM 0 HA GLN A 51 2.174 2.265 -6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.837 3.920 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.916 3.313 -4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.886 2.577 -5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.896 1.179 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.075 0.038 -7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.594 0.324 -8.732 1.00 0.00 H new ATOM 842 N ALA A 52 2.190 1.034 -3.649 1.00 0.00 N ATOM 843 CA ALA A 52 2.127 -0.194 -2.885 1.00 0.00 C ATOM 844 C ALA A 52 0.804 -0.930 -3.110 1.00 0.00 C ATOM 845 O ALA A 52 0.801 -2.129 -3.391 1.00 0.00 O ATOM 846 CB ALA A 52 2.370 0.148 -1.415 1.00 0.00 C ATOM 0 H ALA A 52 2.187 1.880 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 52 2.901 -0.885 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.327 -0.763 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.352 0.608 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.604 0.843 -1.072 1.00 0.00 H new ATOM 852 N TYR A 53 -0.318 -0.215 -3.011 1.00 0.00 N ATOM 853 CA TYR A 53 -1.642 -0.775 -3.225 1.00 0.00 C ATOM 854 C TYR A 53 -1.818 -1.274 -4.665 1.00 0.00 C ATOM 855 O TYR A 53 -2.607 -2.186 -4.878 1.00 0.00 O ATOM 856 CB TYR A 53 -2.693 0.287 -2.866 1.00 0.00 C ATOM 857 CG TYR A 53 -4.129 -0.139 -3.095 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.792 -0.957 -2.159 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.782 0.245 -4.283 1.00 0.00 C ATOM 860 CE1 TYR A 53 -6.104 -1.398 -2.414 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.089 -0.195 -4.545 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.750 -1.034 -3.617 1.00 0.00 C ATOM 863 OH TYR A 53 -7.993 -1.510 -3.899 1.00 0.00 O ATOM 0 H TYR A 53 -0.327 0.778 -2.778 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.772 -1.644 -2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.572 0.558 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.497 1.185 -3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.293 -1.246 -1.246 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.275 0.880 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.617 -2.014 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.589 0.106 -5.453 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.289 -1.160 -4.765 1.00 0.00 H new ATOM 873 N GLU A 54 -1.114 -0.706 -5.649 1.00 0.00 N ATOM 874 CA GLU A 54 -1.248 -1.060 -7.063 1.00 0.00 C ATOM 875 C GLU A 54 -0.605 -2.426 -7.292 1.00 0.00 C ATOM 876 O GLU A 54 -1.277 -3.319 -7.803 1.00 0.00 O ATOM 877 CB GLU A 54 -0.613 0.028 -7.947 1.00 0.00 C ATOM 878 CG GLU A 54 -0.534 -0.310 -9.451 1.00 0.00 C ATOM 879 CD GLU A 54 -1.811 -0.127 -10.279 1.00 0.00 C ATOM 880 OE1 GLU A 54 -2.874 0.286 -9.753 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.714 -0.297 -11.524 1.00 0.00 O ATOM 0 H GLU A 54 -0.423 0.025 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.301 -1.122 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.183 0.949 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.395 0.227 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.248 0.307 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.215 -1.348 -9.548 1.00 0.00 H new ATOM 888 N VAL A 55 0.657 -2.609 -6.884 1.00 0.00 N ATOM 889 CA VAL A 55 1.383 -3.870 -7.042 1.00 0.00 C ATOM 890 C VAL A 55 0.627 -5.017 -6.361 1.00 0.00 C ATOM 891 O VAL A 55 0.655 -6.155 -6.832 1.00 0.00 O ATOM 892 CB VAL A 55 2.835 -3.714 -6.524 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.621 -5.027 -6.612 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.605 -2.648 -7.319 1.00 0.00 C ATOM 0 H VAL A 55 1.205 -1.878 -6.431 1.00 0.00 H new ATOM 0 HA VAL A 55 1.445 -4.126 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 55 2.747 -3.411 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.633 -4.871 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.125 -5.789 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.664 -5.356 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.619 -2.565 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.643 -2.935 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.100 -1.687 -7.223 1.00 0.00 H new ATOM 904 N LEU A 56 -0.086 -4.721 -5.275 1.00 0.00 N ATOM 905 CA LEU A 56 -0.800 -5.712 -4.487 1.00 0.00 C ATOM 906 C LEU A 56 -2.289 -5.783 -4.839 1.00 0.00 C ATOM 907 O LEU A 56 -2.993 -6.592 -4.235 1.00 0.00 O ATOM 908 CB LEU A 56 -0.583 -5.402 -2.998 1.00 0.00 C ATOM 909 CG LEU A 56 0.901 -5.478 -2.567 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.049 -5.087 -1.095 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.494 -6.877 -2.772 1.00 0.00 C ATOM 0 H LEU A 56 -0.182 -3.771 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.400 -6.699 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.966 -4.405 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.164 -6.103 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 56 1.448 -4.779 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.099 -5.145 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.689 -4.068 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.465 -5.769 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.537 -6.880 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.933 -7.600 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.434 -7.147 -3.826 1.00 0.00 H new ATOM 923 N SER A 57 -2.788 -4.963 -5.767 1.00 0.00 N ATOM 924 CA SER A 57 -4.192 -4.969 -6.152 1.00 0.00 C ATOM 925 C SER A 57 -4.510 -6.099 -7.121 1.00 0.00 C ATOM 926 O SER A 57 -5.634 -6.602 -7.078 1.00 0.00 O ATOM 927 CB SER A 57 -4.566 -3.633 -6.797 1.00 0.00 C ATOM 928 OG SER A 57 -5.058 -2.742 -5.826 1.00 0.00 O ATOM 0 H SER A 57 -2.225 -4.277 -6.270 1.00 0.00 H new ATOM 0 HA SER A 57 -4.776 -5.123 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.693 -3.201 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.319 -3.792 -7.569 1.00 0.00 H new ATOM 0 HG SER A 57 -4.320 -2.438 -5.257 1.00 0.00 H new ATOM 934 N ASP A 58 -3.576 -6.476 -8.000 1.00 0.00 N ATOM 935 CA ASP A 58 -3.857 -7.441 -9.059 1.00 0.00 C ATOM 936 C ASP A 58 -3.205 -8.768 -8.750 1.00 0.00 C ATOM 937 O ASP A 58 -2.075 -8.798 -8.266 1.00 0.00 O ATOM 938 CB ASP A 58 -3.330 -6.999 -10.423 1.00 0.00 C ATOM 939 CG ASP A 58 -4.014 -7.852 -11.495 1.00 0.00 C ATOM 940 OD1 ASP A 58 -5.248 -7.773 -11.668 1.00 0.00 O ATOM 941 OD2 ASP A 58 -3.341 -8.753 -12.039 1.00 0.00 O ATOM 0 H ASP A 58 -2.618 -6.125 -7.996 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.943 -7.521 -9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.538 -5.942 -10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.248 -7.122 -10.471 1.00 0.00 H new ATOM 946 N ALA A 59 -3.872 -9.860 -9.115 1.00 0.00 N ATOM 947 CA ALA A 59 -3.333 -11.190 -8.936 1.00 0.00 C ATOM 948 C ALA A 59 -2.052 -11.411 -9.741 1.00 0.00 C ATOM 949 O ALA A 59 -1.193 -12.139 -9.259 1.00 0.00 O ATOM 950 CB ALA A 59 -4.390 -12.220 -9.340 1.00 0.00 C ATOM 0 H ALA A 59 -4.798 -9.840 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.073 -11.307 -7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.989 -13.225 -9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.275 -12.097 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.660 -12.073 -10.386 1.00 0.00 H new ATOM 956 N LYS A 60 -1.890 -10.827 -10.936 1.00 0.00 N ATOM 957 CA LYS A 60 -0.715 -11.011 -11.769 1.00 0.00 C ATOM 958 C LYS A 60 0.424 -10.111 -11.326 1.00 0.00 C ATOM 959 O LYS A 60 1.570 -10.560 -11.348 1.00 0.00 O ATOM 960 CB LYS A 60 -1.048 -10.717 -13.235 1.00 0.00 C ATOM 961 CG LYS A 60 -1.451 -11.960 -14.021 1.00 0.00 C ATOM 962 CD LYS A 60 -2.880 -12.449 -13.761 1.00 0.00 C ATOM 963 CE LYS A 60 -3.928 -11.626 -14.523 1.00 0.00 C ATOM 964 NZ LYS A 60 -4.458 -10.466 -13.773 1.00 0.00 N ATOM 0 H LYS A 60 -2.587 -10.207 -11.348 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.400 -12.049 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.859 -9.989 -13.278 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.182 -10.258 -13.712 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.341 -11.751 -15.085 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.757 -12.765 -13.781 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.962 -13.496 -14.053 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.089 -12.399 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.486 -11.270 -15.454 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.758 -12.278 -14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.502 -9.638 -14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.412 -10.686 -13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.833 -10.258 -12.968 1.00 0.00 H new ATOM 978 N LYS A 61 0.156 -8.861 -10.928 1.00 0.00 N ATOM 979 CA LYS A 61 1.208 -8.069 -10.294 1.00 0.00 C ATOM 980 C LYS A 61 1.659 -8.791 -9.032 1.00 0.00 C ATOM 981 O LYS A 61 2.861 -9.006 -8.845 1.00 0.00 O ATOM 982 CB LYS A 61 0.769 -6.632 -9.985 1.00 0.00 C ATOM 983 CG LYS A 61 0.640 -5.771 -11.253 1.00 0.00 C ATOM 984 CD LYS A 61 0.920 -4.288 -10.954 1.00 0.00 C ATOM 985 CE LYS A 61 2.418 -4.021 -10.728 1.00 0.00 C ATOM 986 NZ LYS A 61 3.096 -3.517 -11.936 1.00 0.00 N ATOM 0 H LYS A 61 -0.745 -8.393 -11.029 1.00 0.00 H new ATOM 0 HA LYS A 61 2.039 -7.976 -10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.188 -6.652 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.490 -6.172 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.337 -6.129 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.363 -5.878 -11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.563 -3.677 -11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.360 -3.984 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.536 -3.297 -9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.902 -4.942 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.102 -3.354 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.010 -4.217 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.655 -2.623 -12.234 1.00 0.00 H new ATOM 1000 N ARG A 62 0.697 -9.223 -8.207 1.00 0.00 N ATOM 1001 CA ARG A 62 1.044 -9.977 -7.006 1.00 0.00 C ATOM 1002 C ARG A 62 1.768 -11.294 -7.313 1.00 0.00 C ATOM 1003 O ARG A 62 2.626 -11.681 -6.525 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.152 -10.189 -6.068 1.00 0.00 C ATOM 1005 CG ARG A 62 0.357 -10.817 -4.754 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.566 -10.574 -3.561 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.687 -11.785 -2.734 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.474 -12.840 -2.986 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.494 -12.750 -3.837 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.261 -13.973 -2.329 1.00 0.00 N ATOM 0 H ARG A 62 -0.301 -9.067 -8.347 1.00 0.00 H new ATOM 0 HA ARG A 62 1.756 -9.350 -6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.647 -9.239 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.890 -10.840 -6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.477 -11.891 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.344 -10.414 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.178 -9.754 -2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.551 -10.271 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.118 -11.825 -1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.687 -11.867 -4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.082 -13.564 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.507 -14.031 -1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.851 -14.785 -2.509 1.00 0.00 H new ATOM 1024 N GLU A 63 1.472 -11.967 -8.430 1.00 0.00 N ATOM 1025 CA GLU A 63 2.054 -13.265 -8.770 1.00 0.00 C ATOM 1026 C GLU A 63 3.579 -13.206 -8.691 1.00 0.00 C ATOM 1027 O GLU A 63 4.204 -14.131 -8.170 1.00 0.00 O ATOM 1028 CB GLU A 63 1.599 -13.720 -10.172 1.00 0.00 C ATOM 1029 CG GLU A 63 2.069 -15.139 -10.534 1.00 0.00 C ATOM 1030 CD GLU A 63 1.748 -15.530 -11.981 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.742 -15.078 -12.560 1.00 0.00 O ATOM 1032 OE2 GLU A 63 2.529 -16.326 -12.560 1.00 0.00 O ATOM 0 H GLU A 63 0.815 -11.620 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 63 1.700 -13.998 -8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.511 -13.681 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.979 -13.019 -10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.145 -15.210 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.599 -15.854 -9.858 1.00 0.00 H new ATOM 1039 N LEU A 64 4.168 -12.118 -9.201 1.00 0.00 N ATOM 1040 CA LEU A 64 5.607 -11.916 -9.176 1.00 0.00 C ATOM 1041 C LEU A 64 6.033 -11.402 -7.814 1.00 0.00 C ATOM 1042 O LEU A 64 7.021 -11.898 -7.288 1.00 0.00 O ATOM 1043 CB LEU A 64 6.060 -10.939 -10.271 1.00 0.00 C ATOM 1044 CG LEU A 64 6.171 -11.556 -11.679 1.00 0.00 C ATOM 1045 CD1 LEU A 64 7.298 -12.590 -11.757 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.875 -12.200 -12.193 1.00 0.00 C ATOM 0 H LEU A 64 3.652 -11.356 -9.642 1.00 0.00 H new ATOM 0 HA LEU A 64 6.083 -12.877 -9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.358 -10.106 -10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.030 -10.527 -9.992 1.00 0.00 H new ATOM 0 HG LEU A 64 6.391 -10.706 -12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.344 -13.002 -12.765 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.248 -12.112 -11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.105 -13.393 -11.045 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.042 -12.609 -13.189 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.574 -13.001 -11.518 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.087 -11.448 -12.237 1.00 0.00 H new ATOM 1058 N TYR A 65 5.326 -10.432 -7.233 1.00 0.00 N ATOM 1059 CA TYR A 65 5.590 -9.906 -5.895 1.00 0.00 C ATOM 1060 C TYR A 65 5.820 -11.020 -4.865 1.00 0.00 C ATOM 1061 O TYR A 65 6.735 -10.937 -4.044 1.00 0.00 O ATOM 1062 CB TYR A 65 4.453 -8.981 -5.469 1.00 0.00 C ATOM 1063 CG TYR A 65 4.567 -8.548 -4.031 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.421 -7.489 -3.691 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.905 -9.276 -3.025 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.636 -7.161 -2.347 1.00 0.00 C ATOM 1067 CE2 TYR A 65 4.101 -8.943 -1.677 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.985 -7.895 -1.333 1.00 0.00 C ATOM 1069 OH TYR A 65 5.249 -7.613 -0.034 1.00 0.00 O ATOM 0 H TYR A 65 4.535 -9.980 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 65 6.516 -9.333 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.447 -8.100 -6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.501 -9.490 -5.617 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.914 -6.925 -4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.247 -10.090 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.298 -6.348 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.578 -9.486 -0.904 1.00 0.00 H new ATOM 0 HH TYR A 65 4.439 -7.747 0.501 1.00 0.00 H new ATOM 1079 N ASP A 66 5.013 -12.075 -4.938 1.00 0.00 N ATOM 1080 CA ASP A 66 5.023 -13.234 -4.053 1.00 0.00 C ATOM 1081 C ASP A 66 6.376 -13.938 -3.983 1.00 0.00 C ATOM 1082 O ASP A 66 6.755 -14.426 -2.918 1.00 0.00 O ATOM 1083 CB ASP A 66 4.000 -14.232 -4.595 1.00 0.00 C ATOM 1084 CG ASP A 66 3.771 -15.429 -3.674 1.00 0.00 C ATOM 1085 OD1 ASP A 66 3.439 -15.220 -2.493 1.00 0.00 O ATOM 1086 OD2 ASP A 66 3.836 -16.579 -4.189 1.00 0.00 O ATOM 0 H ASP A 66 4.294 -12.147 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 66 4.792 -12.883 -3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.052 -13.719 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.335 -14.591 -5.568 1.00 0.00 H new ATOM 1091 N LYS A 67 7.098 -14.007 -5.108 1.00 0.00 N ATOM 1092 CA LYS A 67 8.236 -14.921 -5.264 1.00 0.00 C ATOM 1093 C LYS A 67 9.408 -14.371 -6.091 1.00 0.00 C ATOM 1094 O LYS A 67 10.379 -15.091 -6.350 1.00 0.00 O ATOM 1095 CB LYS A 67 7.711 -16.230 -5.871 1.00 0.00 C ATOM 1096 CG LYS A 67 7.059 -16.029 -7.254 1.00 0.00 C ATOM 1097 CD LYS A 67 7.130 -17.307 -8.090 1.00 0.00 C ATOM 1098 CE LYS A 67 7.050 -16.989 -9.587 1.00 0.00 C ATOM 1099 NZ LYS A 67 7.599 -18.097 -10.392 1.00 0.00 N ATOM 0 H LYS A 67 6.911 -13.434 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 67 8.661 -15.075 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.534 -16.939 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.983 -16.673 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.018 -15.731 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.561 -15.218 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.059 -17.835 -7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.314 -17.974 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.013 -16.809 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.602 -16.073 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.534 -17.858 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.595 -18.251 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.056 -18.964 -10.206 1.00 0.00 H new ATOM 1113 N GLY A 68 9.329 -13.130 -6.553 1.00 0.00 N ATOM 1114 CA GLY A 68 10.266 -12.503 -7.470 1.00 0.00 C ATOM 1115 C GLY A 68 10.410 -11.031 -7.116 1.00 0.00 C ATOM 1116 O GLY A 68 11.506 -10.601 -6.773 1.00 0.00 O ATOM 0 H GLY A 68 8.571 -12.504 -6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.235 -12.999 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.914 -12.609 -8.496 1.00 0.00 H new ATOM 1120 N GLY A 69 9.325 -10.257 -7.154 1.00 0.00 N ATOM 1121 CA GLY A 69 9.303 -8.924 -6.567 1.00 0.00 C ATOM 1122 C GLY A 69 9.659 -7.794 -7.522 1.00 0.00 C ATOM 1123 O GLY A 69 9.267 -6.660 -7.246 1.00 0.00 O ATOM 0 H GLY A 69 8.446 -10.536 -7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.308 -8.738 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.997 -8.902 -5.727 1.00 0.00 H new ATOM 1127 N GLU A 70 10.302 -8.059 -8.663 1.00 0.00 N ATOM 1128 CA GLU A 70 10.887 -6.994 -9.482 1.00 0.00 C ATOM 1129 C GLU A 70 10.649 -7.213 -10.981 1.00 0.00 C ATOM 1130 O GLU A 70 11.499 -6.916 -11.823 1.00 0.00 O ATOM 1131 CB GLU A 70 12.362 -6.828 -9.087 1.00 0.00 C ATOM 1132 CG GLU A 70 12.792 -5.357 -8.972 1.00 0.00 C ATOM 1133 CD GLU A 70 11.926 -4.556 -7.990 1.00 0.00 C ATOM 1134 OE1 GLU A 70 11.938 -4.834 -6.777 1.00 0.00 O ATOM 1135 OE2 GLU A 70 11.206 -3.631 -8.448 1.00 0.00 O ATOM 0 H GLU A 70 10.430 -8.998 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 70 10.383 -6.048 -9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.535 -7.327 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.989 -7.327 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.833 -5.312 -8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.742 -4.891 -9.956 1.00 0.00 H new ATOM 1142 N GLN A 71 9.480 -7.761 -11.317 1.00 0.00 N ATOM 1143 CA GLN A 71 9.002 -7.932 -12.679 1.00 0.00 C ATOM 1144 C GLN A 71 7.533 -7.539 -12.686 1.00 0.00 C ATOM 1145 O GLN A 71 7.177 -6.546 -13.350 1.00 0.00 O ATOM 1146 CB GLN A 71 9.258 -9.378 -13.155 1.00 0.00 C ATOM 1147 CG GLN A 71 10.763 -9.690 -13.256 1.00 0.00 C ATOM 1148 CD GLN A 71 11.063 -11.122 -13.685 1.00 0.00 C ATOM 1149 OE1 GLN A 71 10.910 -11.486 -14.850 1.00 0.00 O ATOM 1150 NE2 GLN A 71 11.522 -11.960 -12.770 1.00 0.00 N ATOM 0 H GLN A 71 8.821 -8.108 -10.620 1.00 0.00 H new ATOM 0 HA GLN A 71 9.536 -7.297 -13.386 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.788 -10.077 -12.463 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.790 -9.529 -14.128 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.221 -9.003 -13.968 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.230 -9.504 -12.289 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.645 -11.647 -11.807 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.753 -12.920 -13.027 1.00 0.00 H new TER 1159 GLN A 71