USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 40 THR OG1 : rot 91:sc= 0.762 USER MOD Set 1.2: A 67 THR OG1 : rot -81:sc= 0.125 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.043 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 57:sc= 0.877 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= 1.88 (180deg=1.49) USER MOD Single : A 29 SER OG : rot 180:sc= 0.058 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.226 F(o=-0.98,f=-0.23) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.308) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= 1.24 (180deg=0.508) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 70:sc= -4.54! USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0.733 (180deg=0.709) USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= 0.488 (180deg=0.168) USER MOD Single : A 85 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-1.7) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.896 9.534 -3.528 1.00 0.00 N ATOM 34 CA VAL A 3 -3.954 8.421 -3.531 1.00 0.00 C ATOM 35 C VAL A 3 -2.842 8.678 -4.545 1.00 0.00 C ATOM 36 O VAL A 3 -3.120 9.092 -5.678 1.00 0.00 O ATOM 37 CB VAL A 3 -4.740 7.130 -3.836 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.832 5.904 -3.961 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.751 6.899 -2.706 1.00 0.00 C ATOM 0 HA VAL A 3 -3.471 8.314 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.240 7.259 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.437 5.023 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.119 6.060 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.292 5.754 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.317 5.989 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.221 6.797 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.434 7.746 -2.650 1.00 0.00 H new ATOM 49 N LYS A 4 -1.590 8.403 -4.158 1.00 0.00 N ATOM 50 CA LYS A 4 -0.420 8.512 -5.018 1.00 0.00 C ATOM 51 C LYS A 4 0.157 7.114 -5.208 1.00 0.00 C ATOM 52 O LYS A 4 0.951 6.662 -4.389 1.00 0.00 O ATOM 53 CB LYS A 4 0.591 9.495 -4.408 1.00 0.00 C ATOM 54 CG LYS A 4 1.459 10.190 -5.470 1.00 0.00 C ATOM 55 CD LYS A 4 2.496 11.129 -4.831 1.00 0.00 C ATOM 56 CE LYS A 4 3.651 10.340 -4.199 1.00 0.00 C ATOM 57 NZ LYS A 4 4.556 11.206 -3.419 1.00 0.00 N ATOM 0 H LYS A 4 -1.364 8.091 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.684 8.912 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.055 10.250 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.236 8.960 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.970 9.438 -6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.821 10.759 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.889 11.809 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.013 11.743 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.246 9.563 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.218 9.838 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.320 10.631 -3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.964 11.932 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.022 11.666 -2.654 1.00 0.00 H new ATOM 71 N ILE A 5 -0.271 6.412 -6.247 1.00 0.00 N ATOM 72 CA ILE A 5 0.374 5.183 -6.709 1.00 0.00 C ATOM 73 C ILE A 5 1.468 5.571 -7.689 1.00 0.00 C ATOM 74 O ILE A 5 1.250 6.430 -8.554 1.00 0.00 O ATOM 75 CB ILE A 5 -0.640 4.221 -7.370 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.741 3.715 -6.421 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.067 2.967 -7.882 1.00 0.00 C ATOM 78 CD1 ILE A 5 -3.050 3.389 -7.123 1.00 0.00 C ATOM 0 H ILE A 5 -1.084 6.679 -6.802 1.00 0.00 H new ATOM 0 HA ILE A 5 0.798 4.650 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.092 4.813 -8.166 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.383 2.823 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.926 4.471 -5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.662 2.301 -8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.819 3.249 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.549 2.455 -7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.778 3.039 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.432 4.284 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.880 2.611 -7.867 1.00 0.00 H new ATOM 90 N GLU A 6 2.603 4.883 -7.593 1.00 0.00 N ATOM 91 CA GLU A 6 3.602 4.883 -8.659 1.00 0.00 C ATOM 92 C GLU A 6 4.438 3.610 -8.624 1.00 0.00 C ATOM 93 O GLU A 6 4.335 2.845 -7.674 1.00 0.00 O ATOM 94 CB GLU A 6 4.476 6.143 -8.609 1.00 0.00 C ATOM 95 CG GLU A 6 5.070 6.503 -7.240 1.00 0.00 C ATOM 96 CD GLU A 6 5.830 7.834 -7.286 1.00 0.00 C ATOM 97 OE1 GLU A 6 5.280 8.828 -7.817 1.00 0.00 O ATOM 98 OE2 GLU A 6 7.016 7.862 -6.872 1.00 0.00 O ATOM 0 H GLU A 6 2.855 4.316 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 6 3.074 4.900 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.296 6.019 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.880 6.987 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.271 6.565 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.744 5.710 -6.915 1.00 0.00 H new ATOM 105 N LYS A 7 5.289 3.372 -9.633 1.00 0.00 N ATOM 106 CA LYS A 7 6.132 2.170 -9.715 1.00 0.00 C ATOM 107 C LYS A 7 7.611 2.536 -9.918 1.00 0.00 C ATOM 108 O LYS A 7 8.109 2.424 -11.041 1.00 0.00 O ATOM 109 CB LYS A 7 5.610 1.173 -10.760 1.00 0.00 C ATOM 110 CG LYS A 7 4.176 0.716 -10.485 1.00 0.00 C ATOM 111 CD LYS A 7 3.147 1.522 -11.284 1.00 0.00 C ATOM 112 CE LYS A 7 2.505 0.643 -12.359 1.00 0.00 C ATOM 113 NZ LYS A 7 3.466 0.283 -13.422 1.00 0.00 N ATOM 0 H LYS A 7 5.412 4.011 -10.419 1.00 0.00 H new ATOM 0 HA LYS A 7 6.070 1.655 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.656 1.632 -11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.265 0.302 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.080 -0.341 -10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.964 0.813 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.379 1.910 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.629 2.382 -11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.114 -0.265 -11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.657 1.168 -12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.992 -0.313 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.820 1.148 -13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.263 -0.240 -13.007 1.00 0.00 H new ATOM 127 N PRO A 8 8.300 2.997 -8.860 1.00 0.00 N ATOM 128 CA PRO A 8 9.673 3.520 -8.906 1.00 0.00 C ATOM 129 C PRO A 8 10.742 2.461 -9.231 1.00 0.00 C ATOM 130 O PRO A 8 10.455 1.265 -9.297 1.00 0.00 O ATOM 131 CB PRO A 8 9.897 4.136 -7.517 1.00 0.00 C ATOM 132 CG PRO A 8 8.910 3.405 -6.617 1.00 0.00 C ATOM 133 CD PRO A 8 7.738 3.104 -7.522 1.00 0.00 C ATOM 0 HA PRO A 8 9.778 4.240 -9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.924 3.994 -7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.710 5.210 -7.523 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.343 2.492 -6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.611 4.022 -5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.243 2.178 -7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.990 3.895 -7.472 1.00 0.00 H new ATOM 141 N THR A 9 11.991 2.893 -9.444 1.00 0.00 N ATOM 142 CA THR A 9 13.147 2.012 -9.625 1.00 0.00 C ATOM 143 C THR A 9 13.431 1.249 -8.325 1.00 0.00 C ATOM 144 O THR A 9 13.344 1.835 -7.243 1.00 0.00 O ATOM 145 CB THR A 9 14.378 2.796 -10.124 1.00 0.00 C ATOM 146 OG1 THR A 9 15.529 1.974 -10.155 1.00 0.00 O ATOM 147 CG2 THR A 9 14.706 4.000 -9.250 1.00 0.00 C ATOM 0 H THR A 9 12.229 3.884 -9.496 1.00 0.00 H new ATOM 0 HA THR A 9 12.915 1.280 -10.399 1.00 0.00 H new ATOM 0 HB THR A 9 14.114 3.138 -11.125 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.294 2.495 -10.476 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.581 4.512 -9.650 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.858 4.684 -9.240 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.914 3.666 -8.234 1.00 0.00 H new ATOM 155 N PRO A 10 13.872 -0.018 -8.392 1.00 0.00 N ATOM 156 CA PRO A 10 14.239 -0.765 -7.198 1.00 0.00 C ATOM 157 C PRO A 10 15.471 -0.194 -6.493 1.00 0.00 C ATOM 158 O PRO A 10 15.613 -0.393 -5.284 1.00 0.00 O ATOM 159 CB PRO A 10 14.486 -2.189 -7.684 1.00 0.00 C ATOM 160 CG PRO A 10 14.887 -2.019 -9.147 1.00 0.00 C ATOM 161 CD PRO A 10 14.021 -0.844 -9.584 1.00 0.00 C ATOM 0 HA PRO A 10 13.449 -0.713 -6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.274 -2.675 -7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.592 -2.805 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.950 -1.804 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.682 -2.916 -9.732 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.492 -0.287 -10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.053 -1.183 -9.952 1.00 0.00 H new ATOM 169 N GLU A 11 16.345 0.510 -7.220 1.00 0.00 N ATOM 170 CA GLU A 11 17.584 1.056 -6.684 1.00 0.00 C ATOM 171 C GLU A 11 17.254 2.049 -5.565 1.00 0.00 C ATOM 172 O GLU A 11 17.673 1.844 -4.425 1.00 0.00 O ATOM 173 CB GLU A 11 18.421 1.675 -7.815 1.00 0.00 C ATOM 174 CG GLU A 11 19.001 0.591 -8.736 1.00 0.00 C ATOM 175 CD GLU A 11 19.710 1.181 -9.958 1.00 0.00 C ATOM 176 OE1 GLU A 11 19.031 1.388 -10.993 1.00 0.00 O ATOM 177 OE2 GLU A 11 20.933 1.451 -9.905 1.00 0.00 O ATOM 0 H GLU A 11 16.205 0.716 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 11 18.194 0.265 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.802 2.357 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.232 2.266 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.704 -0.022 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.198 -0.067 -9.068 1.00 0.00 H new ATOM 184 N LYS A 12 16.420 3.057 -5.858 1.00 0.00 N ATOM 185 CA LYS A 12 15.951 4.053 -4.886 1.00 0.00 C ATOM 186 C LYS A 12 15.335 3.380 -3.657 1.00 0.00 C ATOM 187 O LYS A 12 15.518 3.841 -2.532 1.00 0.00 O ATOM 188 CB LYS A 12 14.950 5.019 -5.558 1.00 0.00 C ATOM 189 CG LYS A 12 14.687 6.292 -4.724 1.00 0.00 C ATOM 190 CD LYS A 12 14.997 7.589 -5.499 1.00 0.00 C ATOM 191 CE LYS A 12 15.193 8.744 -4.513 1.00 0.00 C ATOM 192 NZ LYS A 12 15.710 9.977 -5.140 1.00 0.00 N ATOM 0 H LYS A 12 16.046 3.205 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 12 16.809 4.631 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.332 5.306 -6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.007 4.499 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.644 6.304 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.295 6.260 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.895 7.457 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.182 7.818 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.241 8.964 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.882 8.429 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.818 10.716 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.633 9.783 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.043 10.302 -5.869 1.00 0.00 H new ATOM 206 N LEU A 13 14.605 2.281 -3.857 1.00 0.00 N ATOM 207 CA LEU A 13 13.896 1.597 -2.779 1.00 0.00 C ATOM 208 C LEU A 13 14.845 0.870 -1.831 1.00 0.00 C ATOM 209 O LEU A 13 14.474 0.647 -0.678 1.00 0.00 O ATOM 210 CB LEU A 13 12.859 0.616 -3.348 1.00 0.00 C ATOM 211 CG LEU A 13 11.469 1.201 -3.644 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.700 1.575 -2.379 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.489 2.403 -4.583 1.00 0.00 C ATOM 0 H LEU A 13 14.490 1.842 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 13 13.382 2.365 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.257 0.192 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.742 -0.207 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 13 10.952 0.386 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.727 1.982 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.562 0.687 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.262 2.323 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.471 2.757 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.086 3.201 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.925 2.111 -5.538 1.00 0.00 H new ATOM 225 N LYS A 14 16.070 0.524 -2.244 1.00 0.00 N ATOM 226 CA LYS A 14 17.060 0.108 -1.256 1.00 0.00 C ATOM 227 C LYS A 14 17.378 1.292 -0.348 1.00 0.00 C ATOM 228 O LYS A 14 17.319 1.157 0.873 1.00 0.00 O ATOM 229 CB LYS A 14 18.334 -0.465 -1.880 1.00 0.00 C ATOM 230 CG LYS A 14 18.256 -1.990 -2.014 1.00 0.00 C ATOM 231 CD LYS A 14 17.358 -2.470 -3.151 1.00 0.00 C ATOM 232 CE LYS A 14 17.423 -4.001 -3.221 1.00 0.00 C ATOM 233 NZ LYS A 14 16.913 -4.533 -4.499 1.00 0.00 N ATOM 0 H LYS A 14 16.387 0.524 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 14 16.629 -0.707 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.491 -0.020 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.194 -0.196 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.261 -2.382 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.891 -2.408 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.332 -2.143 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.682 -2.035 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 14 18.455 -4.324 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.845 -4.423 -2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.979 -5.571 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.920 -4.250 -4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.480 -4.154 -5.284 1.00 0.00 H new ATOM 247 N GLU A 15 17.657 2.452 -0.937 1.00 0.00 N ATOM 248 CA GLU A 15 18.241 3.594 -0.228 1.00 0.00 C ATOM 249 C GLU A 15 17.277 4.158 0.812 1.00 0.00 C ATOM 250 O GLU A 15 17.681 4.483 1.929 1.00 0.00 O ATOM 251 CB GLU A 15 18.676 4.711 -1.188 1.00 0.00 C ATOM 252 CG GLU A 15 19.216 4.167 -2.510 1.00 0.00 C ATOM 253 CD GLU A 15 20.045 5.180 -3.285 1.00 0.00 C ATOM 254 OE1 GLU A 15 19.651 6.373 -3.348 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.065 4.782 -3.879 1.00 0.00 O ATOM 0 H GLU A 15 17.484 2.630 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 15 19.129 3.217 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.828 5.366 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.443 5.320 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.826 3.286 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.380 3.842 -3.130 1.00 0.00 H new ATOM 262 N LEU A 16 15.981 4.182 0.476 1.00 0.00 N ATOM 263 CA LEU A 16 14.889 4.563 1.374 1.00 0.00 C ATOM 264 C LEU A 16 14.857 3.739 2.670 1.00 0.00 C ATOM 265 O LEU A 16 14.199 4.130 3.638 1.00 0.00 O ATOM 266 CB LEU A 16 13.553 4.448 0.617 1.00 0.00 C ATOM 267 CG LEU A 16 13.309 5.554 -0.428 1.00 0.00 C ATOM 268 CD1 LEU A 16 11.920 5.390 -1.054 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.440 6.947 0.188 1.00 0.00 C ATOM 0 H LEU A 16 15.656 3.929 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 16 15.058 5.594 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.516 3.480 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.738 4.464 1.341 1.00 0.00 H new ATOM 0 HG LEU A 16 14.071 5.455 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.758 6.177 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.853 4.417 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.160 5.459 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.262 7.702 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.708 7.061 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.444 7.072 0.594 1.00 0.00 H new ATOM 281 N SER A 17 15.629 2.651 2.715 1.00 0.00 N ATOM 282 CA SER A 17 15.881 1.813 3.871 1.00 0.00 C ATOM 283 C SER A 17 14.578 1.150 4.320 1.00 0.00 C ATOM 284 O SER A 17 14.317 1.002 5.506 1.00 0.00 O ATOM 285 CB SER A 17 16.636 2.620 4.938 1.00 0.00 C ATOM 286 OG SER A 17 17.832 3.180 4.399 1.00 0.00 O ATOM 0 H SER A 17 16.123 2.317 1.887 1.00 0.00 H new ATOM 0 HA SER A 17 16.544 0.981 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.996 3.416 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.880 1.976 5.783 1.00 0.00 H new ATOM 0 HG SER A 17 17.612 3.735 3.622 1.00 0.00 H new ATOM 292 N VAL A 18 13.780 0.733 3.338 1.00 0.00 N ATOM 293 CA VAL A 18 12.552 -0.036 3.441 1.00 0.00 C ATOM 294 C VAL A 18 12.785 -1.313 4.246 1.00 0.00 C ATOM 295 O VAL A 18 11.936 -1.690 5.043 1.00 0.00 O ATOM 296 CB VAL A 18 12.032 -0.324 2.018 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.680 -1.022 2.014 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.901 0.961 1.189 1.00 0.00 C ATOM 0 H VAL A 18 14.001 0.947 2.365 1.00 0.00 H new ATOM 0 HA VAL A 18 11.792 0.532 3.978 1.00 0.00 H new ATOM 0 HB VAL A 18 12.776 -0.985 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.365 -1.199 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.761 -1.975 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.944 -0.393 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.532 0.716 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.202 1.640 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.876 1.442 1.106 1.00 0.00 H new ATOM 308 N GLU A 19 13.954 -1.949 4.133 1.00 0.00 N ATOM 309 CA GLU A 19 14.309 -3.094 4.977 1.00 0.00 C ATOM 310 C GLU A 19 14.361 -2.750 6.485 1.00 0.00 C ATOM 311 O GLU A 19 14.397 -3.654 7.326 1.00 0.00 O ATOM 312 CB GLU A 19 15.626 -3.722 4.492 1.00 0.00 C ATOM 313 CG GLU A 19 16.799 -2.730 4.512 1.00 0.00 C ATOM 314 CD GLU A 19 18.169 -3.364 4.208 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.312 -4.614 4.179 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.130 -2.593 3.981 1.00 0.00 O ATOM 0 H GLU A 19 14.675 -1.688 3.461 1.00 0.00 H new ATOM 0 HA GLU A 19 13.510 -3.828 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.869 -4.578 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.492 -4.099 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.606 -1.942 3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.841 -2.254 5.492 1.00 0.00 H new ATOM 323 N LYS A 20 14.332 -1.461 6.847 1.00 0.00 N ATOM 324 CA LYS A 20 14.308 -0.946 8.219 1.00 0.00 C ATOM 325 C LYS A 20 12.921 -0.468 8.639 1.00 0.00 C ATOM 326 O LYS A 20 12.747 -0.025 9.782 1.00 0.00 O ATOM 327 CB LYS A 20 15.331 0.185 8.404 1.00 0.00 C ATOM 328 CG LYS A 20 16.691 -0.193 7.804 1.00 0.00 C ATOM 329 CD LYS A 20 17.825 0.670 8.354 1.00 0.00 C ATOM 330 CE LYS A 20 19.167 0.078 7.910 1.00 0.00 C ATOM 331 NZ LYS A 20 20.290 0.624 8.693 1.00 0.00 N ATOM 0 H LYS A 20 14.324 -0.712 6.154 1.00 0.00 H new ATOM 0 HA LYS A 20 14.579 -1.781 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.961 1.094 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.447 0.404 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.900 -1.242 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.650 -0.088 6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.728 1.694 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.773 0.710 9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.140 -1.006 8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.325 0.288 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.181 0.200 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.331 1.656 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.152 0.402 9.700 1.00 0.00 H new ATOM 345 N TRP A 21 11.958 -0.501 7.722 1.00 0.00 N ATOM 346 CA TRP A 21 10.577 -0.146 7.985 1.00 0.00 C ATOM 347 C TRP A 21 9.903 -1.351 8.662 1.00 0.00 C ATOM 348 O TRP A 21 10.446 -2.463 8.625 1.00 0.00 O ATOM 349 CB TRP A 21 9.886 0.212 6.665 1.00 0.00 C ATOM 350 CG TRP A 21 10.406 1.408 5.928 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.563 2.071 6.167 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.820 2.050 4.757 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.722 3.069 5.239 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.689 3.095 4.330 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.656 1.828 3.990 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.425 3.875 3.196 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.370 2.613 2.858 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.248 3.639 2.462 1.00 0.00 C ATOM 0 H TRP A 21 12.125 -0.782 6.756 1.00 0.00 H new ATOM 0 HA TRP A 21 10.508 0.721 8.642 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.954 -0.651 6.002 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.828 0.374 6.870 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.255 1.848 6.966 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.512 3.715 5.225 1.00 0.00 H new ATOM 0 HE3 TRP A 21 7.973 1.042 4.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.116 4.647 2.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.471 2.427 2.289 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.019 4.244 1.597 1.00 0.00 H new ATOM 369 N PRO A 22 8.722 -1.185 9.273 1.00 0.00 N ATOM 370 CA PRO A 22 7.945 -2.319 9.744 1.00 0.00 C ATOM 371 C PRO A 22 7.395 -3.151 8.571 1.00 0.00 C ATOM 372 O PRO A 22 6.878 -2.619 7.580 1.00 0.00 O ATOM 373 CB PRO A 22 6.851 -1.709 10.624 1.00 0.00 C ATOM 374 CG PRO A 22 6.665 -0.301 10.061 1.00 0.00 C ATOM 375 CD PRO A 22 8.079 0.073 9.625 1.00 0.00 C ATOM 0 HA PRO A 22 8.543 -3.030 10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.928 -2.286 10.570 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.150 -1.683 11.672 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.966 -0.288 9.225 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.277 0.388 10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.060 0.756 8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.617 0.578 10.428 1.00 0.00 H new ATOM 383 N ILE A 23 7.496 -4.478 8.690 1.00 0.00 N ATOM 384 CA ILE A 23 6.762 -5.423 7.850 1.00 0.00 C ATOM 385 C ILE A 23 5.314 -5.450 8.346 1.00 0.00 C ATOM 386 O ILE A 23 5.064 -5.282 9.546 1.00 0.00 O ATOM 387 CB ILE A 23 7.429 -6.825 7.903 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.811 -6.744 7.219 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.566 -7.925 7.239 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.550 -8.069 7.069 1.00 0.00 C ATOM 0 H ILE A 23 8.097 -4.929 9.380 1.00 0.00 H new ATOM 0 HA ILE A 23 6.778 -5.116 6.804 1.00 0.00 H new ATOM 0 HB ILE A 23 7.535 -7.107 8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.681 -6.307 6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.440 -6.060 7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.082 -8.883 7.306 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.606 -7.993 7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.401 -7.675 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.507 -7.898 6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.721 -8.504 8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.951 -8.754 6.469 1.00 0.00 H new ATOM 402 N TRP A 24 4.374 -5.707 7.434 1.00 0.00 N ATOM 403 CA TRP A 24 3.003 -6.088 7.735 1.00 0.00 C ATOM 404 C TRP A 24 2.525 -7.056 6.650 1.00 0.00 C ATOM 405 O TRP A 24 2.926 -6.934 5.489 1.00 0.00 O ATOM 406 CB TRP A 24 2.160 -4.810 7.774 1.00 0.00 C ATOM 407 CG TRP A 24 0.686 -4.956 7.952 1.00 0.00 C ATOM 408 CD1 TRP A 24 -0.008 -4.633 9.063 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.304 -5.365 6.968 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.350 -4.865 8.853 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.591 -5.287 7.567 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.245 -5.790 5.627 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.755 -5.593 6.858 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.409 -6.060 4.898 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.660 -5.911 5.500 1.00 0.00 C ATOM 0 H TRP A 24 4.559 -5.652 6.432 1.00 0.00 H new ATOM 0 HA TRP A 24 2.917 -6.590 8.699 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.535 -4.185 8.585 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.333 -4.266 6.846 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.422 -4.251 9.977 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.073 -4.740 9.562 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.717 -5.910 5.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.715 -5.584 7.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.339 -6.384 3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.558 -6.042 4.914 1.00 0.00 H new ATOM 426 N GLU A 25 1.641 -7.989 7.006 1.00 0.00 N ATOM 427 CA GLU A 25 1.092 -9.041 6.174 1.00 0.00 C ATOM 428 C GLU A 25 -0.419 -9.185 6.445 1.00 0.00 C ATOM 429 O GLU A 25 -0.874 -8.788 7.527 1.00 0.00 O ATOM 430 CB GLU A 25 1.788 -10.368 6.506 1.00 0.00 C ATOM 431 CG GLU A 25 3.198 -10.335 7.116 1.00 0.00 C ATOM 432 CD GLU A 25 3.112 -10.293 8.643 1.00 0.00 C ATOM 433 OE1 GLU A 25 2.866 -9.210 9.210 1.00 0.00 O ATOM 434 OE2 GLU A 25 3.240 -11.381 9.257 1.00 0.00 O ATOM 0 H GLU A 25 1.268 -8.025 7.955 1.00 0.00 H new ATOM 0 HA GLU A 25 1.252 -8.789 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.144 -10.915 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.840 -10.952 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.760 -11.214 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.740 -9.463 6.751 1.00 0.00 H new ATOM 441 N LYS A 26 -1.191 -9.847 5.566 1.00 0.00 N ATOM 442 CA LYS A 26 -2.583 -10.235 5.857 1.00 0.00 C ATOM 443 C LYS A 26 -2.938 -11.563 5.196 1.00 0.00 C ATOM 444 O LYS A 26 -2.319 -11.929 4.199 1.00 0.00 O ATOM 445 CB LYS A 26 -3.555 -9.154 5.361 1.00 0.00 C ATOM 446 CG LYS A 26 -4.387 -8.513 6.485 1.00 0.00 C ATOM 447 CD LYS A 26 -5.645 -9.312 6.835 1.00 0.00 C ATOM 448 CE LYS A 26 -6.528 -8.506 7.794 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.929 -8.982 7.793 1.00 0.00 N ATOM 0 H LYS A 26 -0.871 -10.127 4.639 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.672 -10.344 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.989 -8.375 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.230 -9.593 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.767 -8.415 7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.676 -7.506 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.200 -9.548 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.367 -10.261 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.123 -8.575 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.503 -7.454 7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.379 -8.739 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.449 -8.529 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.945 -10.014 7.665 1.00 0.00 H new ATOM 463 N GLU A 27 -3.989 -12.196 5.726 1.00 0.00 N ATOM 464 CA GLU A 27 -4.733 -13.280 5.093 1.00 0.00 C ATOM 465 C GLU A 27 -5.376 -12.808 3.791 1.00 0.00 C ATOM 466 O GLU A 27 -5.430 -11.613 3.495 1.00 0.00 O ATOM 467 CB GLU A 27 -5.823 -13.800 6.054 1.00 0.00 C ATOM 468 CG GLU A 27 -6.984 -12.792 6.201 1.00 0.00 C ATOM 469 CD GLU A 27 -7.749 -12.810 7.524 1.00 0.00 C ATOM 470 OE1 GLU A 27 -8.070 -13.881 8.074 1.00 0.00 O ATOM 471 OE2 GLU A 27 -8.063 -11.695 8.009 1.00 0.00 O ATOM 0 H GLU A 27 -4.357 -11.954 6.646 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.037 -14.086 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.210 -14.750 5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.383 -13.994 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.584 -11.789 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.695 -12.973 5.395 1.00 0.00 H new ATOM 478 N VAL A 28 -5.969 -13.756 3.079 1.00 0.00 N ATOM 479 CA VAL A 28 -6.530 -13.596 1.739 1.00 0.00 C ATOM 480 C VAL A 28 -8.017 -13.192 1.837 1.00 0.00 C ATOM 481 O VAL A 28 -8.854 -13.632 1.048 1.00 0.00 O ATOM 482 CB VAL A 28 -6.226 -14.891 0.933 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.571 -14.771 -0.557 1.00 0.00 C ATOM 484 CG2 VAL A 28 -4.731 -15.255 1.025 1.00 0.00 C ATOM 0 H VAL A 28 -6.079 -14.705 3.435 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.069 -12.779 1.184 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.853 -15.661 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.335 -15.708 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.634 -14.556 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.989 -13.963 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.542 -16.164 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.132 -14.440 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.460 -15.419 2.068 1.00 0.00 H new ATOM 494 N SER A 29 -8.390 -12.417 2.860 1.00 0.00 N ATOM 495 CA SER A 29 -9.749 -11.927 3.074 1.00 0.00 C ATOM 496 C SER A 29 -9.812 -10.429 2.758 1.00 0.00 C ATOM 497 O SER A 29 -8.829 -9.798 2.368 1.00 0.00 O ATOM 498 CB SER A 29 -10.240 -12.277 4.492 1.00 0.00 C ATOM 499 OG SER A 29 -11.661 -12.257 4.530 1.00 0.00 O ATOM 0 H SER A 29 -7.736 -12.107 3.579 1.00 0.00 H new ATOM 0 HA SER A 29 -10.436 -12.426 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.874 -13.262 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.838 -11.564 5.212 1.00 0.00 H new ATOM 0 HG SER A 29 -11.967 -12.482 5.433 1.00 0.00 H new ATOM 505 N GLU A 30 -10.988 -9.837 2.927 1.00 0.00 N ATOM 506 CA GLU A 30 -11.299 -8.480 2.521 1.00 0.00 C ATOM 507 C GLU A 30 -11.821 -7.692 3.717 1.00 0.00 C ATOM 508 O GLU A 30 -12.524 -8.242 4.567 1.00 0.00 O ATOM 509 CB GLU A 30 -12.298 -8.523 1.358 1.00 0.00 C ATOM 510 CG GLU A 30 -13.589 -9.318 1.644 1.00 0.00 C ATOM 511 CD GLU A 30 -14.677 -9.114 0.590 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.523 -8.257 -0.319 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.744 -9.758 0.695 1.00 0.00 O ATOM 0 H GLU A 30 -11.777 -10.310 3.367 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.404 -7.967 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.569 -7.501 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.804 -8.959 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.347 -10.379 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.979 -9.024 2.619 1.00 0.00 H new ATOM 520 N PHE A 31 -11.480 -6.407 3.794 1.00 0.00 N ATOM 521 CA PHE A 31 -11.793 -5.542 4.918 1.00 0.00 C ATOM 522 C PHE A 31 -11.791 -4.081 4.445 1.00 0.00 C ATOM 523 O PHE A 31 -11.849 -3.815 3.240 1.00 0.00 O ATOM 524 CB PHE A 31 -10.826 -5.827 6.081 1.00 0.00 C ATOM 525 CG PHE A 31 -9.353 -5.734 5.745 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.680 -4.504 5.854 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.650 -6.885 5.345 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.315 -4.412 5.552 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.273 -6.804 5.089 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.609 -5.568 5.184 1.00 0.00 C ATOM 0 H PHE A 31 -10.965 -5.931 3.054 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.792 -5.744 5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.041 -5.127 6.888 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.031 -6.827 6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.219 -3.624 6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.168 -7.826 5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.810 -3.459 5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.722 -7.693 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.552 -5.508 4.973 1.00 0.00 H new ATOM 540 N ASP A 32 -11.752 -3.127 5.377 1.00 0.00 N ATOM 541 CA ASP A 32 -11.589 -1.696 5.133 1.00 0.00 C ATOM 542 C ASP A 32 -10.511 -1.148 6.044 1.00 0.00 C ATOM 543 O ASP A 32 -10.322 -1.656 7.156 1.00 0.00 O ATOM 544 CB ASP A 32 -12.918 -0.955 5.340 1.00 0.00 C ATOM 545 CG ASP A 32 -12.760 0.551 5.578 1.00 0.00 C ATOM 546 OD1 ASP A 32 -12.509 0.932 6.746 1.00 0.00 O ATOM 547 OD2 ASP A 32 -12.879 1.319 4.598 1.00 0.00 O ATOM 0 H ASP A 32 -11.838 -3.344 6.370 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.285 -1.541 4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.549 -1.110 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.439 -1.394 6.191 1.00 0.00 H new ATOM 552 N TRP A 33 -9.817 -0.107 5.587 1.00 0.00 N ATOM 553 CA TRP A 33 -8.790 0.548 6.376 1.00 0.00 C ATOM 554 C TRP A 33 -8.937 2.068 6.319 1.00 0.00 C ATOM 555 O TRP A 33 -9.232 2.632 5.259 1.00 0.00 O ATOM 556 CB TRP A 33 -7.415 0.080 5.893 1.00 0.00 C ATOM 557 CG TRP A 33 -6.360 0.276 6.926 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.480 1.297 6.958 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.145 -0.474 8.159 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.672 1.172 8.065 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.039 0.104 8.847 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.821 -1.531 8.807 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.585 -0.378 10.080 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -6.388 -2.009 10.060 1.00 0.00 C ATOM 565 CH2 TRP A 33 -5.261 -1.445 10.689 1.00 0.00 C ATOM 0 H TRP A 33 -9.954 0.301 4.662 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.900 0.270 7.424 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.466 -0.975 5.624 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.143 0.627 4.990 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.419 2.090 6.228 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.895 1.797 8.279 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.683 -1.980 8.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.724 0.067 10.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.924 -2.814 10.541 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.919 -1.833 11.637 1.00 0.00 H new ATOM 576 N TYR A 34 -8.676 2.739 7.442 1.00 0.00 N ATOM 577 CA TYR A 34 -8.644 4.191 7.523 1.00 0.00 C ATOM 578 C TYR A 34 -7.186 4.625 7.648 1.00 0.00 C ATOM 579 O TYR A 34 -6.507 4.178 8.575 1.00 0.00 O ATOM 580 CB TYR A 34 -9.491 4.686 8.707 1.00 0.00 C ATOM 581 CG TYR A 34 -9.881 6.152 8.589 1.00 0.00 C ATOM 582 CD1 TYR A 34 -8.907 7.164 8.665 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.226 6.510 8.396 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.247 8.507 8.422 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.583 7.856 8.199 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.588 8.852 8.159 1.00 0.00 C ATOM 587 OH TYR A 34 -10.938 10.116 7.804 1.00 0.00 O ATOM 0 H TYR A 34 -8.479 2.278 8.330 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.075 4.633 6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.394 4.080 8.778 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.934 4.538 9.632 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.888 6.907 8.912 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.990 5.747 8.399 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.484 9.271 8.437 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.622 8.126 8.078 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.907 10.160 7.663 1.00 0.00 H new ATOM 597 N TYR A 35 -6.701 5.505 6.767 1.00 0.00 N ATOM 598 CA TYR A 35 -5.410 6.171 6.938 1.00 0.00 C ATOM 599 C TYR A 35 -5.684 7.600 7.396 1.00 0.00 C ATOM 600 O TYR A 35 -6.165 8.393 6.591 1.00 0.00 O ATOM 601 CB TYR A 35 -4.616 6.135 5.623 1.00 0.00 C ATOM 602 CG TYR A 35 -4.204 4.740 5.197 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.255 4.037 5.958 1.00 0.00 C ATOM 604 CD2 TYR A 35 -4.781 4.126 4.070 1.00 0.00 C ATOM 605 CE1 TYR A 35 -2.882 2.731 5.607 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.405 2.820 3.708 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.452 2.111 4.476 1.00 0.00 C ATOM 608 OH TYR A 35 -3.111 0.828 4.168 1.00 0.00 O ATOM 0 H TYR A 35 -7.194 5.775 5.916 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.803 5.661 7.686 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.218 6.583 4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.723 6.751 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.808 4.507 6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.514 4.659 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.156 2.199 6.205 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.847 2.356 2.839 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.591 0.547 3.361 1.00 0.00 H new ATOM 618 N ASP A 36 -5.439 7.943 8.668 1.00 0.00 N ATOM 619 CA ASP A 36 -5.592 9.324 9.166 1.00 0.00 C ATOM 620 C ASP A 36 -4.237 10.007 9.346 1.00 0.00 C ATOM 621 O ASP A 36 -4.145 11.020 10.036 1.00 0.00 O ATOM 622 CB ASP A 36 -6.456 9.431 10.443 1.00 0.00 C ATOM 623 CG ASP A 36 -7.196 10.780 10.563 1.00 0.00 C ATOM 624 OD1 ASP A 36 -7.167 11.613 9.625 1.00 0.00 O ATOM 625 OD2 ASP A 36 -7.973 10.973 11.531 1.00 0.00 O ATOM 0 H ASP A 36 -5.131 7.279 9.379 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.142 9.859 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.186 8.621 10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.820 9.294 11.317 1.00 0.00 H new ATOM 630 N THR A 37 -3.189 9.464 8.719 1.00 0.00 N ATOM 631 CA THR A 37 -1.900 10.110 8.528 1.00 0.00 C ATOM 632 C THR A 37 -1.240 9.569 7.264 1.00 0.00 C ATOM 633 O THR A 37 -1.713 8.616 6.645 1.00 0.00 O ATOM 634 CB THR A 37 -1.002 10.012 9.787 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.578 9.291 10.868 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.781 11.445 10.264 1.00 0.00 C ATOM 0 H THR A 37 -3.223 8.527 8.318 1.00 0.00 H new ATOM 0 HA THR A 37 -2.056 11.179 8.385 1.00 0.00 H new ATOM 0 HB THR A 37 -0.095 9.478 9.506 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.951 9.273 11.621 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.152 11.439 11.154 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.292 12.019 9.477 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.742 11.901 10.502 1.00 0.00 H new ATOM 644 N ASN A 38 -0.177 10.255 6.850 1.00 0.00 N ATOM 645 CA ASN A 38 0.611 9.983 5.658 1.00 0.00 C ATOM 646 C ASN A 38 1.233 8.612 5.832 1.00 0.00 C ATOM 647 O ASN A 38 1.900 8.367 6.841 1.00 0.00 O ATOM 648 CB ASN A 38 1.717 11.035 5.487 1.00 0.00 C ATOM 649 CG ASN A 38 1.270 12.425 5.889 1.00 0.00 C ATOM 650 OD1 ASN A 38 1.501 12.796 7.137 1.00 0.00 O flip ATOM 651 ND2 ASN A 38 0.661 13.157 5.111 1.00 0.00 N flip ATOM 0 H ASN A 38 0.174 11.060 7.369 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.023 10.018 4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.581 10.748 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.041 11.049 4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.492 12.854 4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.325 14.067 5.425 1.00 0.00 H new ATOM 658 N GLU A 39 1.007 7.715 4.880 1.00 0.00 N ATOM 659 CA GLU A 39 1.535 6.369 4.957 1.00 0.00 C ATOM 660 C GLU A 39 1.987 5.972 3.569 1.00 0.00 C ATOM 661 O GLU A 39 1.158 5.812 2.667 1.00 0.00 O ATOM 662 CB GLU A 39 0.485 5.424 5.554 1.00 0.00 C ATOM 663 CG GLU A 39 1.128 4.132 6.080 1.00 0.00 C ATOM 664 CD GLU A 39 0.187 3.337 6.991 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.586 3.955 7.755 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.225 2.090 6.942 1.00 0.00 O ATOM 0 H GLU A 39 0.457 7.903 4.042 1.00 0.00 H new ATOM 0 HA GLU A 39 2.395 6.311 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.040 5.927 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.259 5.179 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.425 3.508 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.037 4.380 6.629 1.00 0.00 H new ATOM 673 N THR A 40 3.298 5.876 3.372 1.00 0.00 N ATOM 674 CA THR A 40 3.860 5.189 2.224 1.00 0.00 C ATOM 675 C THR A 40 3.768 3.696 2.518 1.00 0.00 C ATOM 676 O THR A 40 3.908 3.263 3.667 1.00 0.00 O ATOM 677 CB THR A 40 5.303 5.647 1.957 1.00 0.00 C ATOM 678 OG1 THR A 40 5.273 6.986 1.516 1.00 0.00 O ATOM 679 CG2 THR A 40 6.044 4.880 0.865 1.00 0.00 C ATOM 0 H THR A 40 3.995 6.272 4.003 1.00 0.00 H new ATOM 0 HA THR A 40 3.308 5.423 1.313 1.00 0.00 H new ATOM 0 HB THR A 40 5.826 5.483 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.346 7.586 2.287 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.051 5.282 0.757 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.101 3.826 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.509 4.983 -0.079 1.00 0.00 H new ATOM 687 N CYS A 41 3.589 2.888 1.479 1.00 0.00 N ATOM 688 CA CYS A 41 3.954 1.497 1.537 1.00 0.00 C ATOM 689 C CYS A 41 4.511 1.083 0.189 1.00 0.00 C ATOM 690 O CYS A 41 4.083 1.585 -0.854 1.00 0.00 O ATOM 691 CB CYS A 41 2.793 0.616 2.011 1.00 0.00 C ATOM 692 SG CYS A 41 1.423 0.551 0.824 1.00 0.00 S ATOM 0 H CYS A 41 3.191 3.184 0.588 1.00 0.00 H new ATOM 0 HA CYS A 41 4.732 1.354 2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.160 -0.395 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.423 0.994 2.964 1.00 0.00 H new ATOM 0 HG CYS A 41 0.480 -0.213 1.291 1.00 0.00 H new ATOM 698 N TYR A 42 5.458 0.156 0.232 1.00 0.00 N ATOM 699 CA TYR A 42 6.006 -0.478 -0.941 1.00 0.00 C ATOM 700 C TYR A 42 5.507 -1.904 -0.940 1.00 0.00 C ATOM 701 O TYR A 42 5.637 -2.583 0.083 1.00 0.00 O ATOM 702 CB TYR A 42 7.528 -0.447 -0.892 1.00 0.00 C ATOM 703 CG TYR A 42 8.137 -0.961 -2.173 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.863 -0.287 -3.379 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.952 -2.106 -2.170 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.437 -0.706 -4.586 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.585 -2.485 -3.375 1.00 0.00 C ATOM 708 CZ TYR A 42 9.316 -1.807 -4.588 1.00 0.00 C ATOM 709 OH TYR A 42 9.886 -2.215 -5.760 1.00 0.00 O ATOM 0 H TYR A 42 5.869 -0.177 1.104 1.00 0.00 H new ATOM 0 HA TYR A 42 5.696 0.041 -1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.866 0.574 -0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.878 -1.051 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.200 0.566 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.091 -2.683 -1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.208 -0.190 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.286 -3.306 -3.370 1.00 0.00 H new ATOM 0 HH TYR A 42 10.467 -2.986 -5.590 1.00 0.00 H new ATOM 719 N ILE A 43 4.936 -2.334 -2.059 1.00 0.00 N ATOM 720 CA ILE A 43 4.448 -3.683 -2.268 1.00 0.00 C ATOM 721 C ILE A 43 5.596 -4.508 -2.873 1.00 0.00 C ATOM 722 O ILE A 43 6.202 -4.078 -3.849 1.00 0.00 O ATOM 723 CB ILE A 43 3.224 -3.636 -3.207 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.148 -2.556 -2.894 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.582 -5.030 -3.260 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.551 -2.604 -1.481 1.00 0.00 C ATOM 0 H ILE A 43 4.798 -1.730 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 43 4.132 -4.146 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 43 3.619 -3.331 -4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.591 -1.572 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.337 -2.657 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.716 -5.007 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.308 -5.751 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.266 -5.323 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.813 -1.809 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.071 -3.569 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.344 -2.467 -0.746 1.00 0.00 H new ATOM 738 N LEU A 44 5.908 -5.678 -2.309 1.00 0.00 N ATOM 739 CA LEU A 44 6.968 -6.575 -2.734 1.00 0.00 C ATOM 740 C LEU A 44 6.445 -7.850 -3.385 1.00 0.00 C ATOM 741 O LEU A 44 7.090 -8.343 -4.303 1.00 0.00 O ATOM 742 CB LEU A 44 7.753 -7.016 -1.489 1.00 0.00 C ATOM 743 CG LEU A 44 8.486 -5.959 -0.657 1.00 0.00 C ATOM 744 CD1 LEU A 44 9.628 -5.366 -1.467 1.00 0.00 C ATOM 745 CD2 LEU A 44 7.630 -4.913 0.038 1.00 0.00 C ATOM 0 H LEU A 44 5.397 -6.037 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 44 7.572 -6.031 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.057 -7.530 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.491 -7.752 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 44 8.889 -6.497 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.146 -4.615 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.327 -6.156 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.231 -4.902 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.271 -4.227 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.060 -4.356 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.944 -5.404 0.728 1.00 0.00 H new ATOM 757 N GLU A 45 5.332 -8.411 -2.898 1.00 0.00 N ATOM 758 CA GLU A 45 4.647 -9.578 -3.445 1.00 0.00 C ATOM 759 C GLU A 45 3.225 -9.658 -2.868 1.00 0.00 C ATOM 760 O GLU A 45 2.951 -9.032 -1.844 1.00 0.00 O ATOM 761 CB GLU A 45 5.453 -10.876 -3.241 1.00 0.00 C ATOM 762 CG GLU A 45 6.073 -11.197 -1.870 1.00 0.00 C ATOM 763 CD GLU A 45 6.982 -12.438 -1.892 1.00 0.00 C ATOM 764 OE1 GLU A 45 7.007 -13.243 -2.858 1.00 0.00 O ATOM 765 OE2 GLU A 45 7.690 -12.645 -0.885 1.00 0.00 O ATOM 0 H GLU A 45 4.865 -8.041 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 45 4.565 -9.462 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.798 -11.707 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.264 -10.870 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.650 -10.338 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.274 -11.352 -1.145 1.00 0.00 H new ATOM 772 N GLY A 46 2.315 -10.403 -3.507 1.00 0.00 N ATOM 773 CA GLY A 46 0.890 -10.487 -3.150 1.00 0.00 C ATOM 774 C GLY A 46 -0.007 -9.985 -4.285 1.00 0.00 C ATOM 775 O GLY A 46 0.457 -9.905 -5.427 1.00 0.00 O ATOM 0 H GLY A 46 2.555 -10.982 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.634 -11.520 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.704 -9.898 -2.252 1.00 0.00 H new ATOM 779 N LYS A 47 -1.284 -9.684 -4.009 1.00 0.00 N ATOM 780 CA LYS A 47 -2.090 -8.769 -4.832 1.00 0.00 C ATOM 781 C LYS A 47 -3.123 -8.104 -3.925 1.00 0.00 C ATOM 782 O LYS A 47 -3.703 -8.763 -3.057 1.00 0.00 O ATOM 783 CB LYS A 47 -2.803 -9.504 -5.989 1.00 0.00 C ATOM 784 CG LYS A 47 -2.672 -8.816 -7.360 1.00 0.00 C ATOM 785 CD LYS A 47 -3.223 -7.394 -7.545 1.00 0.00 C ATOM 786 CE LYS A 47 -4.759 -7.268 -7.625 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.307 -7.573 -8.969 1.00 0.00 N ATOM 0 H LYS A 47 -1.788 -10.068 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.430 -8.029 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.400 -10.514 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.861 -9.600 -5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.612 -8.792 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.162 -9.455 -8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.871 -6.779 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.796 -6.976 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.210 -7.941 -6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.048 -6.255 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.263 -7.172 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.692 -7.157 -9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.351 -8.604 -9.100 1.00 0.00 H new ATOM 801 N VAL A 48 -3.446 -6.839 -4.191 1.00 0.00 N ATOM 802 CA VAL A 48 -4.491 -6.094 -3.494 1.00 0.00 C ATOM 803 C VAL A 48 -5.320 -5.367 -4.554 1.00 0.00 C ATOM 804 O VAL A 48 -4.788 -4.998 -5.600 1.00 0.00 O ATOM 805 CB VAL A 48 -3.852 -5.121 -2.472 1.00 0.00 C ATOM 806 CG1 VAL A 48 -4.875 -4.282 -1.688 1.00 0.00 C ATOM 807 CG2 VAL A 48 -2.984 -5.854 -1.442 1.00 0.00 C ATOM 0 H VAL A 48 -2.977 -6.292 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.144 -6.755 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.246 -4.458 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.351 -3.626 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.461 -3.681 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.539 -4.944 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.557 -5.132 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.597 -6.569 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.181 -6.383 -1.954 1.00 0.00 H new ATOM 817 N GLU A 49 -6.604 -5.143 -4.286 1.00 0.00 N ATOM 818 CA GLU A 49 -7.444 -4.111 -4.894 1.00 0.00 C ATOM 819 C GLU A 49 -7.890 -3.219 -3.727 1.00 0.00 C ATOM 820 O GLU A 49 -8.172 -3.720 -2.635 1.00 0.00 O ATOM 821 CB GLU A 49 -8.683 -4.746 -5.555 1.00 0.00 C ATOM 822 CG GLU A 49 -8.494 -4.833 -7.071 1.00 0.00 C ATOM 823 CD GLU A 49 -9.744 -5.280 -7.834 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.624 -5.974 -7.279 1.00 0.00 O ATOM 825 OE2 GLU A 49 -9.848 -4.941 -9.037 1.00 0.00 O ATOM 0 H GLU A 49 -7.114 -5.704 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.907 -3.558 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.851 -5.742 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.569 -4.154 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.184 -3.857 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.683 -5.529 -7.286 1.00 0.00 H new ATOM 832 N VAL A 50 -7.986 -1.912 -3.949 1.00 0.00 N ATOM 833 CA VAL A 50 -8.482 -0.938 -2.980 1.00 0.00 C ATOM 834 C VAL A 50 -9.696 -0.261 -3.620 1.00 0.00 C ATOM 835 O VAL A 50 -9.535 0.624 -4.462 1.00 0.00 O ATOM 836 CB VAL A 50 -7.339 0.038 -2.601 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.762 1.096 -1.578 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.105 -0.698 -2.048 1.00 0.00 C ATOM 0 H VAL A 50 -7.713 -1.487 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.800 -1.392 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.085 0.536 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.916 1.747 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.580 1.690 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.092 0.605 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.331 0.027 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.384 -1.255 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.725 -1.388 -2.802 1.00 0.00 H new ATOM 848 N THR A 51 -10.909 -0.723 -3.303 1.00 0.00 N ATOM 849 CA THR A 51 -12.142 -0.089 -3.757 1.00 0.00 C ATOM 850 C THR A 51 -12.362 1.129 -2.859 1.00 0.00 C ATOM 851 O THR A 51 -12.734 1.002 -1.685 1.00 0.00 O ATOM 852 CB THR A 51 -13.329 -1.061 -3.713 1.00 0.00 C ATOM 853 OG1 THR A 51 -13.125 -2.146 -4.606 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.637 -0.389 -4.148 1.00 0.00 C ATOM 0 H THR A 51 -11.060 -1.549 -2.723 1.00 0.00 H new ATOM 0 HA THR A 51 -12.061 0.216 -4.800 1.00 0.00 H new ATOM 0 HB THR A 51 -13.399 -1.399 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.892 -2.755 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.451 -1.113 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.856 0.446 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.535 -0.022 -5.169 1.00 0.00 H new ATOM 862 N THR A 52 -12.106 2.319 -3.382 1.00 0.00 N ATOM 863 CA THR A 52 -12.329 3.543 -2.630 1.00 0.00 C ATOM 864 C THR A 52 -13.821 3.870 -2.643 1.00 0.00 C ATOM 865 O THR A 52 -14.606 3.205 -3.327 1.00 0.00 O ATOM 866 CB THR A 52 -11.381 4.660 -3.113 1.00 0.00 C ATOM 867 OG1 THR A 52 -11.763 5.141 -4.392 1.00 0.00 O ATOM 868 CG2 THR A 52 -9.934 4.170 -3.180 1.00 0.00 C ATOM 0 H THR A 52 -11.744 2.462 -4.325 1.00 0.00 H new ATOM 0 HA THR A 52 -12.067 3.422 -1.579 1.00 0.00 H new ATOM 0 HB THR A 52 -11.453 5.470 -2.387 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.437 5.845 -4.289 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.291 4.980 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.613 3.847 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.865 3.333 -3.875 1.00 0.00 H new ATOM 876 N GLU A 53 -14.257 4.866 -1.865 1.00 0.00 N ATOM 877 CA GLU A 53 -15.678 5.195 -1.798 1.00 0.00 C ATOM 878 C GLU A 53 -16.237 5.602 -3.169 1.00 0.00 C ATOM 879 O GLU A 53 -17.379 5.280 -3.503 1.00 0.00 O ATOM 880 CB GLU A 53 -15.961 6.256 -0.737 1.00 0.00 C ATOM 881 CG GLU A 53 -15.086 7.507 -0.789 1.00 0.00 C ATOM 882 CD GLU A 53 -15.681 8.601 0.095 1.00 0.00 C ATOM 883 OE1 GLU A 53 -15.832 8.395 1.322 1.00 0.00 O ATOM 884 OE2 GLU A 53 -16.137 9.620 -0.473 1.00 0.00 O ATOM 0 H GLU A 53 -13.655 5.448 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.201 4.288 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -17.003 6.562 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.847 5.798 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.076 7.268 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.006 7.862 -1.816 1.00 0.00 H new ATOM 891 N ASP A 54 -15.389 6.223 -3.988 1.00 0.00 N ATOM 892 CA ASP A 54 -15.646 6.693 -5.348 1.00 0.00 C ATOM 893 C ASP A 54 -15.938 5.535 -6.299 1.00 0.00 C ATOM 894 O ASP A 54 -16.405 5.762 -7.416 1.00 0.00 O ATOM 895 CB ASP A 54 -14.425 7.448 -5.915 1.00 0.00 C ATOM 896 CG ASP A 54 -13.654 8.223 -4.859 1.00 0.00 C ATOM 897 OD1 ASP A 54 -12.868 7.541 -4.148 1.00 0.00 O ATOM 898 OD2 ASP A 54 -13.857 9.442 -4.702 1.00 0.00 O ATOM 0 H ASP A 54 -14.433 6.426 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.511 7.352 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.755 6.734 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.761 8.138 -6.689 1.00 0.00 H new ATOM 903 N GLY A 55 -15.623 4.300 -5.898 1.00 0.00 N ATOM 904 CA GLY A 55 -15.812 3.099 -6.695 1.00 0.00 C ATOM 905 C GLY A 55 -14.658 2.791 -7.644 1.00 0.00 C ATOM 906 O GLY A 55 -14.693 1.744 -8.299 1.00 0.00 O ATOM 0 H GLY A 55 -15.218 4.110 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.954 2.251 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.728 3.203 -7.276 1.00 0.00 H new ATOM 910 N LYS A 56 -13.643 3.661 -7.695 1.00 0.00 N ATOM 911 CA LYS A 56 -12.344 3.347 -8.276 1.00 0.00 C ATOM 912 C LYS A 56 -11.777 2.170 -7.494 1.00 0.00 C ATOM 913 O LYS A 56 -11.957 2.100 -6.276 1.00 0.00 O ATOM 914 CB LYS A 56 -11.397 4.556 -8.161 1.00 0.00 C ATOM 915 CG LYS A 56 -11.846 5.801 -8.952 1.00 0.00 C ATOM 916 CD LYS A 56 -10.913 6.106 -10.132 1.00 0.00 C ATOM 917 CE LYS A 56 -11.411 7.292 -10.967 1.00 0.00 C ATOM 918 NZ LYS A 56 -11.250 8.595 -10.287 1.00 0.00 N ATOM 0 H LYS A 56 -13.707 4.611 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.447 3.103 -9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.299 4.826 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.407 4.259 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.860 5.648 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.878 6.662 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.913 6.322 -9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.832 5.224 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.870 7.314 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.464 7.142 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.605 9.354 -10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.788 8.591 -9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.243 8.758 -10.082 1.00 0.00 H new ATOM 932 N LYS A 57 -11.101 1.245 -8.167 1.00 0.00 N ATOM 933 CA LYS A 57 -10.557 0.044 -7.587 1.00 0.00 C ATOM 934 C LYS A 57 -9.087 -0.005 -7.922 1.00 0.00 C ATOM 935 O LYS A 57 -8.651 -0.500 -8.958 1.00 0.00 O ATOM 936 CB LYS A 57 -11.323 -1.155 -8.101 1.00 0.00 C ATOM 937 CG LYS A 57 -11.360 -1.310 -9.635 1.00 0.00 C ATOM 938 CD LYS A 57 -12.727 -1.773 -10.123 1.00 0.00 C ATOM 939 CE LYS A 57 -13.031 -3.224 -9.746 1.00 0.00 C ATOM 940 NZ LYS A 57 -12.080 -4.188 -10.343 1.00 0.00 N ATOM 0 H LYS A 57 -10.916 1.323 -9.167 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.659 0.034 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.884 -2.056 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.348 -1.094 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.110 -0.358 -10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.601 -2.027 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.496 -1.125 -9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.776 -1.666 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.008 -3.324 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.042 -3.473 -10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.593 -5.041 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.617 -3.754 -11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.361 -4.448 -9.638 1.00 0.00 H new ATOM 954 N TYR A 58 -8.299 0.499 -7.000 1.00 0.00 N ATOM 955 CA TYR A 58 -6.871 0.620 -7.174 1.00 0.00 C ATOM 956 C TYR A 58 -6.211 -0.643 -6.697 1.00 0.00 C ATOM 957 O TYR A 58 -5.829 -0.826 -5.540 1.00 0.00 O ATOM 958 CB TYR A 58 -6.322 1.845 -6.461 1.00 0.00 C ATOM 959 CG TYR A 58 -6.868 3.179 -6.921 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.248 3.885 -7.967 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.964 3.742 -6.246 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.668 5.189 -8.280 1.00 0.00 C ATOM 963 CE2 TYR A 58 -8.394 5.042 -6.557 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.735 5.779 -7.563 1.00 0.00 C ATOM 965 OH TYR A 58 -8.154 7.041 -7.840 1.00 0.00 O ATOM 0 H TYR A 58 -8.636 0.840 -6.099 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.651 0.758 -8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.522 1.741 -5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.239 1.857 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.449 3.425 -8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.478 3.173 -5.485 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.176 5.740 -9.068 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.228 5.477 -6.027 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.898 7.276 -7.247 1.00 0.00 H new ATOM 975 N VAL A 59 -6.139 -1.550 -7.643 1.00 0.00 N ATOM 976 CA VAL A 59 -5.096 -2.527 -7.724 1.00 0.00 C ATOM 977 C VAL A 59 -3.724 -1.865 -7.735 1.00 0.00 C ATOM 978 O VAL A 59 -3.530 -0.770 -8.266 1.00 0.00 O ATOM 979 CB VAL A 59 -5.423 -3.469 -8.886 1.00 0.00 C ATOM 980 CG1 VAL A 59 -5.915 -2.756 -10.136 1.00 0.00 C ATOM 981 CG2 VAL A 59 -4.257 -4.381 -9.274 1.00 0.00 C ATOM 0 H VAL A 59 -6.826 -1.625 -8.394 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.044 -3.156 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.236 -4.078 -8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.126 -3.490 -10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.824 -2.201 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.148 -2.065 -10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.557 -5.022 -10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.404 -3.773 -9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.978 -4.999 -8.420 1.00 0.00 H new ATOM 991 N ILE A 60 -2.812 -2.564 -7.083 1.00 0.00 N ATOM 992 CA ILE A 60 -1.397 -2.314 -6.933 1.00 0.00 C ATOM 993 C ILE A 60 -0.772 -3.706 -6.930 1.00 0.00 C ATOM 994 O ILE A 60 -1.308 -4.615 -6.279 1.00 0.00 O ATOM 995 CB ILE A 60 -1.108 -1.550 -5.614 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.101 -1.887 -4.470 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.099 -0.041 -5.863 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.823 -1.186 -3.137 1.00 0.00 C ATOM 0 H ILE A 60 -3.081 -3.417 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.991 -1.686 -7.726 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.124 -1.882 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.108 -1.626 -4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.088 -2.964 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.895 0.481 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.325 0.203 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.070 0.270 -6.248 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.572 -1.488 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.832 -1.465 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.867 -0.106 -3.278 1.00 0.00 H new ATOM 1010 N GLU A 61 0.339 -3.877 -7.629 1.00 0.00 N ATOM 1011 CA GLU A 61 1.068 -5.126 -7.764 1.00 0.00 C ATOM 1012 C GLU A 61 2.383 -5.033 -6.990 1.00 0.00 C ATOM 1013 O GLU A 61 2.653 -4.051 -6.297 1.00 0.00 O ATOM 1014 CB GLU A 61 1.317 -5.483 -9.239 1.00 0.00 C ATOM 1015 CG GLU A 61 0.087 -5.394 -10.150 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.067 -4.005 -10.763 1.00 0.00 C ATOM 1017 OE1 GLU A 61 0.839 -3.568 -11.506 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -1.112 -3.353 -10.533 1.00 0.00 O ATOM 0 H GLU A 61 0.777 -3.111 -8.142 1.00 0.00 H new ATOM 0 HA GLU A 61 0.462 -5.929 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.088 -4.820 -9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.713 -6.497 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.170 -6.135 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.807 -5.640 -9.578 1.00 0.00 H new ATOM 1025 N LYS A 62 3.179 -6.097 -7.078 1.00 0.00 N ATOM 1026 CA LYS A 62 4.436 -6.395 -6.394 1.00 0.00 C ATOM 1027 C LYS A 62 5.624 -5.470 -6.710 1.00 0.00 C ATOM 1028 O LYS A 62 6.761 -5.931 -6.838 1.00 0.00 O ATOM 1029 CB LYS A 62 4.722 -7.881 -6.654 1.00 0.00 C ATOM 1030 CG LYS A 62 4.928 -8.273 -8.120 1.00 0.00 C ATOM 1031 CD LYS A 62 5.006 -9.805 -8.239 1.00 0.00 C ATOM 1032 CE LYS A 62 4.545 -10.247 -9.630 1.00 0.00 C ATOM 1033 NZ LYS A 62 4.626 -11.710 -9.812 1.00 0.00 N ATOM 0 H LYS A 62 2.928 -6.861 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 62 4.312 -6.190 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.613 -8.164 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.894 -8.466 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.107 -7.892 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.843 -7.821 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.028 -10.140 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.382 -10.269 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.518 -9.920 -9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.157 -9.755 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.303 -11.959 -10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.610 -12.021 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.021 -12.181 -9.109 1.00 0.00 H new ATOM 1047 N GLY A 63 5.372 -4.170 -6.777 1.00 0.00 N ATOM 1048 CA GLY A 63 6.384 -3.127 -6.843 1.00 0.00 C ATOM 1049 C GLY A 63 5.797 -1.722 -6.899 1.00 0.00 C ATOM 1050 O GLY A 63 6.526 -0.785 -7.226 1.00 0.00 O ATOM 0 H GLY A 63 4.421 -3.800 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.036 -3.207 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.006 -3.289 -7.723 1.00 0.00 H new ATOM 1054 N ASP A 64 4.496 -1.540 -6.645 1.00 0.00 N ATOM 1055 CA ASP A 64 3.919 -0.200 -6.583 1.00 0.00 C ATOM 1056 C ASP A 64 4.362 0.419 -5.249 1.00 0.00 C ATOM 1057 O ASP A 64 4.285 -0.218 -4.192 1.00 0.00 O ATOM 1058 CB ASP A 64 2.380 -0.212 -6.716 1.00 0.00 C ATOM 1059 CG ASP A 64 1.826 -0.513 -8.120 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.896 -1.687 -8.542 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.332 0.416 -8.805 1.00 0.00 O ATOM 0 H ASP A 64 3.832 -2.297 -6.481 1.00 0.00 H new ATOM 0 HA ASP A 64 4.275 0.394 -7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.981 -0.953 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.000 0.759 -6.398 1.00 0.00 H new ATOM 1066 N LEU A 65 4.880 1.652 -5.277 1.00 0.00 N ATOM 1067 CA LEU A 65 5.059 2.511 -4.126 1.00 0.00 C ATOM 1068 C LEU A 65 3.897 3.505 -4.092 1.00 0.00 C ATOM 1069 O LEU A 65 3.910 4.562 -4.719 1.00 0.00 O ATOM 1070 CB LEU A 65 6.392 3.236 -4.265 1.00 0.00 C ATOM 1071 CG LEU A 65 6.691 4.071 -3.013 1.00 0.00 C ATOM 1072 CD1 LEU A 65 7.071 3.208 -1.811 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.860 4.961 -3.370 1.00 0.00 C ATOM 0 H LEU A 65 5.196 2.087 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 65 5.068 1.940 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.191 2.511 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.370 3.883 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 65 5.801 4.631 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.272 3.849 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.250 2.532 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.963 2.627 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.120 5.582 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.716 4.345 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.588 5.599 -4.211 1.00 0.00 H new ATOM 1085 N VAL A 66 2.858 3.112 -3.383 1.00 0.00 N ATOM 1086 CA VAL A 66 1.886 3.951 -2.716 1.00 0.00 C ATOM 1087 C VAL A 66 2.306 4.896 -1.612 1.00 0.00 C ATOM 1088 O VAL A 66 3.164 4.593 -0.795 1.00 0.00 O ATOM 1089 CB VAL A 66 0.491 3.313 -2.625 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.663 3.875 -3.416 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.562 1.811 -2.466 1.00 0.00 C ATOM 0 H VAL A 66 2.657 2.121 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 66 1.795 4.764 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 66 0.119 3.717 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.560 3.289 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.835 4.911 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.430 3.832 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.447 1.403 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.078 1.378 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.107 1.567 -1.554 1.00 0.00 H new ATOM 1101 N THR A 67 1.608 6.028 -1.576 1.00 0.00 N ATOM 1102 CA THR A 67 1.488 6.972 -0.488 1.00 0.00 C ATOM 1103 C THR A 67 0.006 7.321 -0.404 1.00 0.00 C ATOM 1104 O THR A 67 -0.596 7.747 -1.398 1.00 0.00 O ATOM 1105 CB THR A 67 2.383 8.197 -0.740 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.688 7.785 -1.126 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.487 9.066 0.518 1.00 0.00 C ATOM 0 H THR A 67 1.065 6.327 -2.386 1.00 0.00 H new ATOM 0 HA THR A 67 1.827 6.561 0.463 1.00 0.00 H new ATOM 0 HB THR A 67 1.929 8.780 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.206 7.549 -0.328 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.125 9.926 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.494 9.411 0.805 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.916 8.480 1.331 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.592 7.080 0.759 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.935 7.535 1.070 1.00 0.00 C ATOM 1117 C PHE A 68 -1.824 8.891 1.766 1.00 0.00 C ATOM 1118 O PHE A 68 -0.820 9.149 2.441 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.651 6.492 1.933 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.851 5.174 1.204 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.554 5.145 -0.012 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.286 3.991 1.704 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -3.687 3.948 -0.738 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.401 2.791 0.978 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.100 2.770 -0.244 1.00 0.00 C ATOM 0 H PHE A 68 -0.150 6.558 1.516 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.531 7.655 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.074 6.318 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.620 6.884 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.998 6.053 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.762 4.001 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.236 3.934 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.953 1.885 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.185 1.849 -0.802 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.815 9.773 1.576 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.838 11.080 2.203 1.00 0.00 C ATOM 1137 C PRO A 69 -3.280 10.957 3.662 1.00 0.00 C ATOM 1138 O PRO A 69 -3.614 9.879 4.152 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.859 11.856 1.378 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.914 10.795 1.119 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.051 9.567 0.828 1.00 0.00 C ATOM 0 HA PRO A 69 -1.864 11.569 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.262 12.710 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.430 12.242 0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.564 10.644 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.556 11.053 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.552 8.652 1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.852 9.471 -0.239 1.00 0.00 H new ATOM 1149 N LYS A 70 -3.334 12.095 4.344 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.782 12.167 5.727 1.00 0.00 C ATOM 1151 C LYS A 70 -5.302 12.290 5.715 1.00 0.00 C ATOM 1152 O LYS A 70 -5.823 13.393 5.546 1.00 0.00 O ATOM 1153 CB LYS A 70 -3.045 13.318 6.434 1.00 0.00 C ATOM 1154 CG LYS A 70 -3.498 13.492 7.890 1.00 0.00 C ATOM 1155 CD LYS A 70 -2.486 14.300 8.695 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.912 14.446 10.161 1.00 0.00 C ATOM 1157 NZ LYS A 70 -4.050 15.363 10.363 1.00 0.00 N ATOM 0 H LYS A 70 -3.067 12.997 3.950 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.541 11.272 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.972 13.129 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.217 14.246 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.466 13.992 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.633 12.513 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.511 13.814 8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.372 15.288 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.176 13.463 10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.062 14.803 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.281 15.411 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.797 16.312 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.875 15.013 9.836 1.00 0.00 H new ATOM 1171 N GLY A 71 -6.009 11.165 5.822 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.464 11.085 5.825 1.00 0.00 C ATOM 1173 C GLY A 71 -7.942 10.337 4.588 1.00 0.00 C ATOM 1174 O GLY A 71 -8.081 10.959 3.534 1.00 0.00 O ATOM 0 H GLY A 71 -5.564 10.252 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.807 10.575 6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.892 12.087 5.843 1.00 0.00 H new ATOM 1178 N LEU A 72 -8.153 9.021 4.687 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.697 8.175 3.624 1.00 0.00 C ATOM 1180 C LEU A 72 -9.439 7.000 4.259 1.00 0.00 C ATOM 1181 O LEU A 72 -8.869 6.366 5.141 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.527 7.657 2.764 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.020 7.048 1.441 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -6.977 7.285 0.351 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -8.264 5.548 1.440 1.00 0.00 C ATOM 0 H LEU A 72 -7.942 8.500 5.538 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.388 8.740 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.839 8.476 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.968 6.907 3.324 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.977 7.543 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.326 6.853 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.822 8.356 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.037 6.815 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.608 5.236 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.337 5.028 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.022 5.302 2.184 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.659 6.666 3.811 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.499 5.618 4.411 1.00 0.00 C ATOM 1199 C ARG A 73 -12.022 4.655 3.344 1.00 0.00 C ATOM 1200 O ARG A 73 -13.137 4.809 2.832 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.634 6.303 5.175 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.514 5.308 5.941 1.00 0.00 C ATOM 1203 CD ARG A 73 -14.529 6.012 6.846 1.00 0.00 C ATOM 1204 NE ARG A 73 -15.538 5.051 7.305 1.00 0.00 N ATOM 1205 CZ ARG A 73 -16.723 4.813 6.744 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -17.199 5.585 5.773 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -17.418 3.763 7.152 1.00 0.00 N ATOM 0 H ARG A 73 -11.096 7.123 3.010 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.914 5.012 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.212 7.024 5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.252 6.864 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.043 4.672 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.882 4.656 6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.020 6.455 7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.010 6.826 6.304 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.309 4.510 8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.654 6.381 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.109 5.382 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.044 3.156 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.328 3.561 6.737 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.204 3.688 2.950 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.471 2.859 1.777 1.00 0.00 C ATOM 1223 C CYS A 74 -11.176 1.392 2.020 1.00 0.00 C ATOM 1224 O CYS A 74 -10.320 1.017 2.831 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.687 3.375 0.584 1.00 0.00 C ATOM 1226 SG CYS A 74 -11.313 5.038 0.183 1.00 0.00 S ATOM 0 H CYS A 74 -10.336 3.454 3.433 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.538 2.931 1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.622 3.413 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.805 2.707 -0.269 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.960 5.871 1.116 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.863 0.565 1.239 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.806 -0.872 1.385 1.00 0.00 C ATOM 1234 C ARG A 75 -10.441 -1.383 0.944 1.00 0.00 C ATOM 1235 O ARG A 75 -9.781 -0.756 0.122 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.967 -1.519 0.631 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.190 -1.761 1.522 1.00 0.00 C ATOM 1238 CD ARG A 75 -14.948 -0.460 1.815 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.584 0.079 0.599 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.718 -0.371 0.045 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.449 -1.313 0.646 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -17.121 0.119 -1.121 1.00 0.00 N ATOM 0 H ARG A 75 -12.475 0.881 0.487 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.921 -1.151 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.252 -0.881 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.637 -2.468 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.860 -2.470 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.872 -2.215 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.708 -0.644 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.260 0.279 2.225 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.120 0.863 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.146 -1.700 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.310 -1.645 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.568 0.835 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.984 -0.221 -1.546 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.026 -2.510 1.512 1.00 0.00 N ATOM 1257 CA TRP A 76 -8.762 -3.181 1.253 1.00 0.00 C ATOM 1258 C TRP A 76 -9.074 -4.652 1.010 1.00 0.00 C ATOM 1259 O TRP A 76 -9.524 -5.351 1.922 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.768 -2.970 2.409 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.705 -1.965 2.094 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.911 -0.647 1.891 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.294 -2.197 1.802 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.743 -0.061 1.455 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.729 -0.984 1.315 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.447 -3.322 1.849 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.418 -0.923 0.815 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.119 -3.264 1.387 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.615 -2.075 0.836 1.00 0.00 C ATOM 0 H TRP A 76 -10.593 -3.004 2.201 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.273 -2.762 0.374 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.314 -2.647 3.295 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.298 -3.922 2.654 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.847 -0.131 2.046 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.641 0.935 1.260 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.826 -4.251 2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.030 0.003 0.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.486 -4.136 1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.615 -2.046 0.430 1.00 0.00 H new ATOM 1280 N LYS A 77 -8.909 -5.111 -0.231 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.220 -6.471 -0.642 1.00 0.00 C ATOM 1282 C LYS A 77 -7.909 -7.194 -0.894 1.00 0.00 C ATOM 1283 O LYS A 77 -7.223 -6.876 -1.867 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.111 -6.437 -1.890 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.582 -7.846 -2.236 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.498 -7.845 -3.457 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.269 -9.162 -3.484 1.00 0.00 C ATOM 1288 NZ LYS A 77 -13.578 -9.081 -2.804 1.00 0.00 N ATOM 0 H LYS A 77 -8.548 -4.533 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.771 -7.005 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.971 -5.790 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.559 -6.013 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.718 -8.483 -2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.110 -8.274 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.188 -7.003 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.913 -7.730 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.422 -9.465 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.668 -9.938 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.993 -10.032 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.449 -8.690 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.214 -8.464 -3.348 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.534 -8.118 -0.015 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.328 -8.911 -0.170 1.00 0.00 C ATOM 1304 C VAL A 78 -6.732 -10.091 -1.035 1.00 0.00 C ATOM 1305 O VAL A 78 -7.428 -10.992 -0.571 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.768 -9.350 1.197 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.287 -9.714 1.072 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -5.937 -8.231 2.240 1.00 0.00 C ATOM 0 H VAL A 78 -8.064 -8.336 0.829 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.522 -8.344 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.328 -10.226 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.905 -10.022 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.172 -10.532 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.728 -8.847 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.535 -8.562 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.401 -7.342 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.995 -7.996 2.353 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.374 -10.041 -2.314 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.636 -11.163 -3.200 1.00 0.00 C ATOM 1320 C LEU A 79 -5.535 -12.205 -3.080 1.00 0.00 C ATOM 1321 O LEU A 79 -5.782 -13.357 -3.414 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.757 -10.697 -4.650 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.978 -9.809 -4.933 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.983 -9.485 -6.426 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.300 -10.498 -4.579 1.00 0.00 C ATOM 0 H LEU A 79 -5.908 -9.247 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.583 -11.613 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.854 -10.148 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.802 -11.573 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.900 -8.914 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.841 -8.854 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.064 -8.960 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.047 -10.410 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.130 -9.827 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.405 -11.409 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.307 -10.749 -3.518 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.346 -11.829 -2.608 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.257 -12.749 -2.312 1.00 0.00 C ATOM 1339 C GLU A 80 -2.386 -12.124 -1.210 1.00 0.00 C ATOM 1340 O GLU A 80 -2.346 -10.893 -1.118 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.436 -13.000 -3.595 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.826 -14.249 -4.406 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.581 -15.545 -3.630 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.390 -15.904 -3.476 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -3.552 -16.166 -3.143 1.00 0.00 O ATOM 0 H GLU A 80 -4.112 -10.854 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.641 -13.708 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.530 -12.127 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.384 -13.082 -3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.879 -14.187 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.254 -14.270 -5.334 1.00 0.00 H new ATOM 1352 N PRO A 81 -1.703 -12.933 -0.376 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.218 -12.555 0.950 1.00 0.00 C ATOM 1354 C PRO A 81 -0.034 -11.588 0.868 1.00 0.00 C ATOM 1355 O PRO A 81 1.135 -11.975 0.879 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.877 -13.877 1.648 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.476 -14.787 0.491 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.406 -14.337 -0.627 1.00 0.00 C ATOM 0 HA PRO A 81 -1.966 -12.004 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.065 -13.756 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.731 -14.275 2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.572 -14.660 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.617 -15.840 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.933 -14.466 -1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.319 -14.932 -0.635 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.348 -10.301 0.772 1.00 0.00 N ATOM 1367 CA VAL A 82 0.618 -9.249 0.518 1.00 0.00 C ATOM 1368 C VAL A 82 1.475 -9.045 1.758 1.00 0.00 C ATOM 1369 O VAL A 82 0.951 -9.018 2.874 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.126 -7.976 0.067 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.074 -7.436 1.138 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.809 -6.821 -0.293 1.00 0.00 C ATOM 0 H VAL A 82 -1.303 -9.957 0.871 1.00 0.00 H new ATOM 0 HA VAL A 82 1.296 -9.521 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.677 -8.305 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.570 -6.540 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.822 -8.192 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.507 -7.190 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.219 -5.958 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.412 -6.557 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.463 -7.124 -1.110 1.00 0.00 H new ATOM 1382 N ARG A 83 2.778 -8.830 1.574 1.00 0.00 N ATOM 1383 CA ARG A 83 3.707 -8.586 2.679 1.00 0.00 C ATOM 1384 C ARG A 83 4.381 -7.225 2.506 1.00 0.00 C ATOM 1385 O ARG A 83 5.580 -7.119 2.272 1.00 0.00 O ATOM 1386 CB ARG A 83 4.697 -9.760 2.731 1.00 0.00 C ATOM 1387 CG ARG A 83 4.920 -10.238 4.157 1.00 0.00 C ATOM 1388 CD ARG A 83 6.042 -11.271 4.164 1.00 0.00 C ATOM 1389 NE ARG A 83 6.512 -11.531 5.534 1.00 0.00 N ATOM 1390 CZ ARG A 83 7.736 -11.935 5.887 1.00 0.00 C ATOM 1391 NH1 ARG A 83 8.637 -12.268 4.962 1.00 0.00 N ATOM 1392 NH2 ARG A 83 8.049 -11.963 7.175 1.00 0.00 N ATOM 0 H ARG A 83 3.220 -8.820 0.655 1.00 0.00 H new ATOM 0 HA ARG A 83 3.189 -8.540 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.319 -10.583 2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.648 -9.455 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.179 -9.397 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.004 -10.674 4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.689 -12.199 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.872 -10.916 3.552 1.00 0.00 H new ATOM 0 HE ARG A 83 5.839 -11.389 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.395 -12.216 3.972 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.568 -12.575 5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.361 -11.680 7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.977 -12.268 7.468 1.00 0.00 H new ATOM 1406 N LYS A 84 3.606 -6.139 2.458 1.00 0.00 N ATOM 1407 CA LYS A 84 4.180 -4.825 2.131 1.00 0.00 C ATOM 1408 C LYS A 84 5.052 -4.339 3.292 1.00 0.00 C ATOM 1409 O LYS A 84 4.963 -4.823 4.423 1.00 0.00 O ATOM 1410 CB LYS A 84 3.093 -3.835 1.661 1.00 0.00 C ATOM 1411 CG LYS A 84 2.496 -2.886 2.697 1.00 0.00 C ATOM 1412 CD LYS A 84 1.648 -3.576 3.748 1.00 0.00 C ATOM 1413 CE LYS A 84 0.224 -3.806 3.209 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.795 -2.996 3.911 1.00 0.00 N ATOM 0 H LYS A 84 2.602 -6.137 2.636 1.00 0.00 H new ATOM 0 HA LYS A 84 4.847 -4.908 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.515 -3.231 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.277 -4.414 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.305 -2.350 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.887 -2.141 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.100 -4.529 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.610 -2.969 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.201 -3.568 2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.029 -4.862 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.583 -2.792 3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.150 -3.523 4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.369 -2.102 4.230 1.00 0.00 H new ATOM 1428 N HIS A 85 5.908 -3.375 3.005 1.00 0.00 N ATOM 1429 CA HIS A 85 6.639 -2.581 3.987 1.00 0.00 C ATOM 1430 C HIS A 85 5.874 -1.262 4.053 1.00 0.00 C ATOM 1431 O HIS A 85 5.656 -0.669 2.996 1.00 0.00 O ATOM 1432 CB HIS A 85 8.085 -2.376 3.506 1.00 0.00 C ATOM 1433 CG HIS A 85 9.040 -3.386 4.081 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.645 -4.418 3.398 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.462 -3.438 5.384 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.397 -5.089 4.283 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.323 -4.529 5.497 1.00 0.00 N ATOM 0 H HIS A 85 6.124 -3.110 2.044 1.00 0.00 H new ATOM 0 HA HIS A 85 6.703 -3.053 4.968 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.113 -2.435 2.418 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.415 -1.374 3.779 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.180 -2.760 6.176 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.984 -5.964 4.048 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.804 -4.840 6.341 1.00 0.00 H new ATOM 1445 N TYR A 86 5.433 -0.817 5.231 1.00 0.00 N ATOM 1446 CA TYR A 86 4.714 0.453 5.405 1.00 0.00 C ATOM 1447 C TYR A 86 5.553 1.392 6.265 1.00 0.00 C ATOM 1448 O TYR A 86 6.443 0.921 6.968 1.00 0.00 O ATOM 1449 CB TYR A 86 3.321 0.227 6.019 1.00 0.00 C ATOM 1450 CG TYR A 86 3.289 -0.220 7.474 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.696 -1.520 7.831 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.838 0.663 8.477 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.659 -1.925 9.174 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.790 0.258 9.824 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.195 -1.049 10.175 1.00 0.00 C ATOM 1456 OH TYR A 86 3.087 -1.510 11.451 1.00 0.00 O ATOM 0 H TYR A 86 5.565 -1.331 6.102 1.00 0.00 H new ATOM 0 HA TYR A 86 4.559 0.910 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.755 1.155 5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.800 -0.520 5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.037 -2.206 7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.526 1.661 8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.989 -2.918 9.443 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.445 0.943 10.585 1.00 0.00 H new ATOM 0 HH TYR A 86 2.755 -0.793 12.031 1.00 0.00 H new ATOM 1466 N ASN A 87 5.290 2.700 6.233 1.00 0.00 N ATOM 1467 CA ASN A 87 5.948 3.651 7.125 1.00 0.00 C ATOM 1468 C ASN A 87 5.014 4.830 7.380 1.00 0.00 C ATOM 1469 O ASN A 87 4.495 5.409 6.426 1.00 0.00 O ATOM 1470 CB ASN A 87 7.280 4.124 6.517 1.00 0.00 C ATOM 1471 CG ASN A 87 8.116 4.911 7.517 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.021 4.716 8.727 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.976 5.803 7.064 1.00 0.00 N ATOM 0 H ASN A 87 4.620 3.125 5.592 1.00 0.00 H new ATOM 0 HA ASN A 87 6.171 3.165 8.075 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.847 3.260 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.080 4.745 5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.558 6.327 7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.058 5.968 6.061 1.00 0.00 H new ATOM 1480 N LEU A 88 4.784 5.153 8.655 1.00 0.00 N ATOM 1481 CA LEU A 88 3.953 6.262 9.136 1.00 0.00 C ATOM 1482 C LEU A 88 4.836 7.511 9.227 1.00 0.00 C ATOM 1483 O LEU A 88 5.978 7.376 9.687 1.00 0.00 O ATOM 1484 CB LEU A 88 3.428 5.937 10.555 1.00 0.00 C ATOM 1485 CG LEU A 88 2.737 4.568 10.743 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.604 4.247 12.237 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.355 4.556 10.104 1.00 0.00 C ATOM 0 H LEU A 88 5.194 4.620 9.422 1.00 0.00 H new ATOM 0 HA LEU A 88 3.114 6.420 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.267 5.993 11.249 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.723 6.716 10.844 1.00 0.00 H new ATOM 0 HG LEU A 88 3.354 3.814 10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.116 3.280 12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.594 4.214 12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.007 5.019 12.723 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.894 3.580 10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.734 5.324 10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.446 4.755 9.036 1.00 0.00 H new ATOM 1499 N PHE A 89 4.358 8.700 8.834 1.00 0.00 N ATOM 1500 CA PHE A 89 5.124 9.949 8.904 1.00 0.00 C ATOM 1501 C PHE A 89 4.208 11.150 8.666 1.00 0.00 C ATOM 1502 O PHE A 89 4.757 12.268 8.479 1.00 0.00 O ATOM 1503 CB PHE A 89 6.287 9.927 7.890 1.00 0.00 C ATOM 1504 CG PHE A 89 5.870 9.625 6.469 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.366 10.641 5.638 1.00 0.00 C ATOM 1506 CD2 PHE A 89 5.936 8.305 5.999 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.864 10.329 4.365 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.454 7.999 4.722 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.892 9.003 3.916 1.00 0.00 C ATOM 0 H PHE A 89 3.419 8.821 8.455 1.00 0.00 H new ATOM 0 HA PHE A 89 5.551 10.042 9.903 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.789 10.894 7.911 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.016 9.182 8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.365 11.665 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.357 7.528 6.620 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.458 11.107 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.514 6.986 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.481 8.752 2.949 1.00 0.00 H new