USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 570 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 26 TYR OH : rot 19:sc= 0.418 USER MOD Set 1.2: A 49 SER OG : rot 91:sc= 1.59 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -123:sc= 1.24 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0.965 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.13) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -13:sc= 0.735 USER MOD Single : A 18 ASN : amide:sc= -0.732! C(o=-0.73!,f=-10!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.669 K(o=0.67,f=-6.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 105:sc= 1.29 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.21) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0789 X(o=-0.079,f=-0.079) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.898 (180deg=0.897) USER MOD Single : A 64 TYR OH : rot -24:sc= 0.0568 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -3.826 -13.715 -6.684 1.00 0.00 N ATOM 12 CA VAL A 2 -3.233 -12.383 -6.706 1.00 0.00 C ATOM 13 C VAL A 2 -2.594 -12.086 -8.056 1.00 0.00 C ATOM 14 O VAL A 2 -1.522 -12.601 -8.373 1.00 0.00 O ATOM 15 CB VAL A 2 -2.171 -12.253 -5.598 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.561 -10.859 -5.606 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.793 -12.560 -4.245 1.00 0.00 C ATOM 0 HA VAL A 2 -4.032 -11.662 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.374 -12.972 -5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.813 -10.785 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.090 -10.674 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.343 -10.119 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.036 -12.466 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.604 -11.858 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.186 -13.577 -4.248 1.00 0.00 H new ATOM 27 N LYS A 3 -3.259 -11.252 -8.849 1.00 0.00 N ATOM 28 CA LYS A 3 -2.785 -10.927 -10.189 1.00 0.00 C ATOM 29 C LYS A 3 -1.564 -10.017 -10.136 1.00 0.00 C ATOM 30 O LYS A 3 -0.487 -10.377 -10.610 1.00 0.00 O ATOM 31 CB LYS A 3 -3.897 -10.269 -11.006 1.00 0.00 C ATOM 32 CG LYS A 3 -3.506 -9.924 -12.438 1.00 0.00 C ATOM 33 CD LYS A 3 -4.684 -9.349 -13.208 1.00 0.00 C ATOM 34 CE LYS A 3 -4.273 -8.921 -14.610 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.417 -8.357 -15.376 1.00 0.00 N ATOM 0 H LYS A 3 -4.129 -10.789 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.494 -11.859 -10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.758 -10.936 -11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.213 -9.357 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.687 -9.204 -12.431 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.140 -10.818 -12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.478 -10.093 -13.271 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.091 -8.493 -12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.478 -8.178 -14.544 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.864 -9.778 -15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.074 -7.970 -16.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.113 -9.107 -15.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.866 -7.599 -14.823 1.00 0.00 H new ATOM 49 N GLU A 4 -1.741 -8.834 -9.555 1.00 0.00 N ATOM 50 CA GLU A 4 -0.661 -7.858 -9.462 1.00 0.00 C ATOM 51 C GLU A 4 -0.176 -7.708 -8.026 1.00 0.00 C ATOM 52 O GLU A 4 -0.953 -7.851 -7.081 1.00 0.00 O ATOM 53 CB GLU A 4 -1.123 -6.501 -9.999 1.00 0.00 C ATOM 54 CG GLU A 4 -1.448 -6.492 -11.486 1.00 0.00 C ATOM 55 CD GLU A 4 -1.860 -5.134 -11.986 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.963 -4.234 -11.187 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.071 -4.997 -13.167 1.00 0.00 O ATOM 0 H GLU A 4 -2.622 -8.528 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 4 0.169 -8.220 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.007 -6.186 -9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.345 -5.763 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.576 -6.831 -12.046 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.249 -7.205 -11.682 1.00 0.00 H new ATOM 64 N THR A 5 1.110 -7.419 -7.869 1.00 0.00 N ATOM 65 CA THR A 5 1.706 -7.273 -6.546 1.00 0.00 C ATOM 66 C THR A 5 2.316 -5.887 -6.367 1.00 0.00 C ATOM 67 O THR A 5 3.032 -5.634 -5.399 1.00 0.00 O ATOM 68 CB THR A 5 2.781 -8.346 -6.300 1.00 0.00 C ATOM 69 OG1 THR A 5 3.807 -8.237 -7.296 1.00 0.00 O ATOM 70 CG2 THR A 5 2.171 -9.737 -6.358 1.00 0.00 C ATOM 0 H THR A 5 1.761 -7.281 -8.642 1.00 0.00 H new ATOM 0 HA THR A 5 0.907 -7.402 -5.816 1.00 0.00 H new ATOM 0 HB THR A 5 3.208 -8.189 -5.309 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.491 -8.920 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.947 -10.482 -6.182 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.400 -9.828 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.728 -9.900 -7.341 1.00 0.00 H new ATOM 78 N LYS A 6 2.027 -4.994 -7.307 1.00 0.00 N ATOM 79 CA LYS A 6 2.629 -3.667 -7.314 1.00 0.00 C ATOM 80 C LYS A 6 2.361 -2.933 -6.006 1.00 0.00 C ATOM 81 O LYS A 6 3.282 -2.429 -5.365 1.00 0.00 O ATOM 82 CB LYS A 6 2.106 -2.847 -8.495 1.00 0.00 C ATOM 83 CG LYS A 6 2.694 -1.445 -8.597 1.00 0.00 C ATOM 84 CD LYS A 6 2.192 -0.725 -9.839 1.00 0.00 C ATOM 85 CE LYS A 6 2.767 0.682 -9.934 1.00 0.00 C ATOM 86 NZ LYS A 6 2.336 1.375 -11.177 1.00 0.00 N ATOM 0 H LYS A 6 1.378 -5.166 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 6 3.707 -3.791 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.319 -3.385 -9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.022 -2.768 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.428 -0.871 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.782 -1.506 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.467 -1.293 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.103 -0.674 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.451 1.262 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.855 0.632 -9.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.749 2.329 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.659 0.835 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.299 1.446 -11.193 1.00 0.00 H new ATOM 100 N LEU A 7 1.091 -2.877 -5.617 1.00 0.00 N ATOM 101 CA LEU A 7 0.686 -2.127 -4.434 1.00 0.00 C ATOM 102 C LEU A 7 1.209 -2.781 -3.162 1.00 0.00 C ATOM 103 O LEU A 7 1.529 -2.099 -2.187 1.00 0.00 O ATOM 104 CB LEU A 7 -0.843 -2.022 -4.371 1.00 0.00 C ATOM 105 CG LEU A 7 -1.504 -1.246 -5.517 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.008 -1.185 -5.287 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.906 0.149 -5.597 1.00 0.00 C ATOM 0 H LEU A 7 0.325 -3.342 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 7 1.115 -1.128 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.258 -3.030 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.118 -1.547 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.321 -1.753 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.478 -0.634 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.412 -2.197 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.211 -0.681 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.376 0.700 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.079 0.673 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.166 0.075 -5.780 1.00 0.00 H new ATOM 119 N TYR A 8 1.295 -4.107 -3.177 1.00 0.00 N ATOM 120 CA TYR A 8 1.831 -4.852 -2.044 1.00 0.00 C ATOM 121 C TYR A 8 3.323 -4.597 -1.872 1.00 0.00 C ATOM 122 O TYR A 8 3.828 -4.540 -0.752 1.00 0.00 O ATOM 123 CB TYR A 8 1.566 -6.350 -2.215 1.00 0.00 C ATOM 124 CG TYR A 8 0.100 -6.720 -2.164 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.508 -7.296 -3.269 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.636 -6.483 -1.012 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.847 -7.635 -3.224 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.974 -6.821 -0.966 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.580 -7.394 -2.066 1.00 0.00 C ATOM 130 OH TYR A 8 -3.913 -7.731 -2.021 1.00 0.00 O ATOM 0 H TYR A 8 1.000 -4.688 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 8 1.323 -4.504 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.981 -6.676 -3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.096 -6.895 -1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.065 -7.480 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.162 -6.034 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.322 -8.085 -4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.547 -6.637 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.231 -7.931 -2.926 1.00 0.00 H new ATOM 140 N ASP A 9 4.023 -4.443 -2.990 1.00 0.00 N ATOM 141 CA ASP A 9 5.451 -4.147 -2.965 1.00 0.00 C ATOM 142 C ASP A 9 5.710 -2.730 -2.470 1.00 0.00 C ATOM 143 O ASP A 9 6.695 -2.474 -1.775 1.00 0.00 O ATOM 144 CB ASP A 9 6.062 -4.327 -4.357 1.00 0.00 C ATOM 145 CG ASP A 9 6.165 -5.789 -4.773 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.075 -6.638 -3.917 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.336 -6.043 -5.941 1.00 0.00 O ATOM 0 H ASP A 9 3.625 -4.518 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 9 5.922 -4.847 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.457 -3.788 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.055 -3.879 -4.373 1.00 0.00 H new ATOM 152 N LEU A 10 4.823 -1.810 -2.834 1.00 0.00 N ATOM 153 CA LEU A 10 4.916 -0.429 -2.371 1.00 0.00 C ATOM 154 C LEU A 10 4.806 -0.348 -0.854 1.00 0.00 C ATOM 155 O LEU A 10 5.528 0.413 -0.210 1.00 0.00 O ATOM 156 CB LEU A 10 3.815 0.420 -3.016 1.00 0.00 C ATOM 157 CG LEU A 10 3.989 0.712 -4.512 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.743 1.408 -5.044 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.227 1.571 -4.721 1.00 0.00 C ATOM 0 H LEU A 10 4.031 -1.995 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 10 5.891 -0.042 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.860 -0.086 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.756 1.369 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 10 4.121 -0.221 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.868 1.615 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.876 0.763 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.592 2.345 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.351 1.778 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.114 2.510 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.104 1.041 -4.350 1.00 0.00 H new ATOM 171 N LEU A 11 3.900 -1.138 -0.289 1.00 0.00 N ATOM 172 CA LEU A 11 3.717 -1.182 1.157 1.00 0.00 C ATOM 173 C LEU A 11 4.774 -2.056 1.819 1.00 0.00 C ATOM 174 O LEU A 11 5.140 -1.838 2.973 1.00 0.00 O ATOM 175 CB LEU A 11 2.319 -1.713 1.499 1.00 0.00 C ATOM 176 CG LEU A 11 1.146 -0.836 1.045 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.166 -1.481 1.470 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.289 0.556 1.643 1.00 0.00 C ATOM 0 H LEU A 11 3.280 -1.757 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 11 3.822 -0.166 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.206 -2.700 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.254 -1.844 2.579 1.00 0.00 H new ATOM 0 HG LEU A 11 1.149 -0.745 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.999 -0.857 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.252 -2.467 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.187 -1.582 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.455 1.178 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.289 0.486 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.225 1.002 1.308 1.00 0.00 H new ATOM 190 N GLY A 12 5.261 -3.048 1.082 1.00 0.00 N ATOM 191 CA GLY A 12 6.262 -3.972 1.603 1.00 0.00 C ATOM 192 C GLY A 12 5.616 -5.063 2.450 1.00 0.00 C ATOM 193 O GLY A 12 6.122 -5.416 3.514 1.00 0.00 O ATOM 0 H GLY A 12 4.978 -3.233 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.808 -4.425 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.989 -3.425 2.203 1.00 0.00 H new ATOM 197 N VAL A 13 4.495 -5.592 1.969 1.00 0.00 N ATOM 198 CA VAL A 13 3.719 -6.561 2.732 1.00 0.00 C ATOM 199 C VAL A 13 3.161 -7.652 1.827 1.00 0.00 C ATOM 200 O VAL A 13 2.762 -7.388 0.692 1.00 0.00 O ATOM 201 CB VAL A 13 2.558 -5.861 3.462 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.609 -5.220 2.462 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.822 -6.860 4.341 1.00 0.00 C ATOM 0 H VAL A 13 4.105 -5.365 1.054 1.00 0.00 H new ATOM 0 HA VAL A 13 4.386 -7.019 3.462 1.00 0.00 H new ATOM 0 HB VAL A 13 2.963 -5.072 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.795 -4.730 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.150 -4.483 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.201 -5.987 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.002 -6.358 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.424 -7.665 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.511 -7.274 5.077 1.00 0.00 H new ATOM 213 N SER A 14 3.134 -8.879 2.335 1.00 0.00 N ATOM 214 CA SER A 14 2.664 -10.021 1.558 1.00 0.00 C ATOM 215 C SER A 14 1.216 -9.834 1.126 1.00 0.00 C ATOM 216 O SER A 14 0.381 -9.364 1.900 1.00 0.00 O ATOM 217 CB SER A 14 2.798 -11.296 2.369 1.00 0.00 C ATOM 218 OG SER A 14 2.229 -12.382 1.693 1.00 0.00 O ATOM 0 H SER A 14 3.432 -9.109 3.283 1.00 0.00 H new ATOM 0 HA SER A 14 3.282 -10.095 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.851 -11.497 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.311 -11.169 3.336 1.00 0.00 H new ATOM 0 HG SER A 14 1.548 -12.800 2.260 1.00 0.00 H new ATOM 224 N PRO A 15 0.922 -10.204 -0.116 1.00 0.00 N ATOM 225 CA PRO A 15 -0.444 -10.162 -0.626 1.00 0.00 C ATOM 226 C PRO A 15 -1.384 -10.981 0.248 1.00 0.00 C ATOM 227 O PRO A 15 -2.586 -10.718 0.300 1.00 0.00 O ATOM 228 CB PRO A 15 -0.306 -10.764 -2.028 1.00 0.00 C ATOM 229 CG PRO A 15 1.111 -10.500 -2.403 1.00 0.00 C ATOM 230 CD PRO A 15 1.879 -10.684 -1.121 1.00 0.00 C ATOM 0 HA PRO A 15 -0.871 -9.159 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.525 -11.832 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.997 -10.298 -2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.453 -11.191 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.236 -9.492 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.154 -11.726 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.803 -10.105 -1.113 1.00 0.00 H new ATOM 238 N SER A 16 -0.831 -11.975 0.934 1.00 0.00 N ATOM 239 CA SER A 16 -1.630 -12.881 1.749 1.00 0.00 C ATOM 240 C SER A 16 -2.034 -12.226 3.065 1.00 0.00 C ATOM 241 O SER A 16 -2.860 -12.759 3.807 1.00 0.00 O ATOM 242 CB SER A 16 -0.856 -14.156 2.024 1.00 0.00 C ATOM 243 OG SER A 16 0.242 -13.907 2.859 1.00 0.00 O ATOM 0 H SER A 16 0.169 -12.174 0.941 1.00 0.00 H new ATOM 0 HA SER A 16 -2.537 -13.122 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.513 -14.891 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.512 -14.587 1.084 1.00 0.00 H new ATOM 0 HG SER A 16 0.725 -14.744 3.023 1.00 0.00 H new ATOM 249 N ALA A 17 -1.446 -11.069 3.348 1.00 0.00 N ATOM 250 CA ALA A 17 -1.733 -10.347 4.582 1.00 0.00 C ATOM 251 C ALA A 17 -3.167 -9.832 4.598 1.00 0.00 C ATOM 252 O ALA A 17 -3.708 -9.444 3.564 1.00 0.00 O ATOM 253 CB ALA A 17 -0.755 -9.195 4.761 1.00 0.00 C ATOM 0 H ALA A 17 -0.768 -10.611 2.740 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.615 -11.042 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.982 -8.666 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.262 -9.585 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.844 -8.508 3.919 1.00 0.00 H new ATOM 259 N ASN A 18 -3.776 -9.831 5.778 1.00 0.00 N ATOM 260 CA ASN A 18 -5.141 -9.342 5.935 1.00 0.00 C ATOM 261 C ASN A 18 -5.171 -7.829 6.091 1.00 0.00 C ATOM 262 O ASN A 18 -4.129 -7.173 6.072 1.00 0.00 O ATOM 263 CB ASN A 18 -5.816 -10.014 7.117 1.00 0.00 C ATOM 264 CG ASN A 18 -5.197 -9.629 8.432 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.676 -8.518 8.585 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.241 -10.525 9.384 1.00 0.00 N ATOM 0 H ASN A 18 -3.346 -10.164 6.641 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.693 -9.595 5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.873 -9.749 7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.760 -11.096 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.835 -10.319 10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.681 -11.429 9.213 1.00 0.00 H new ATOM 273 N GLU A 19 -6.369 -7.276 6.246 1.00 0.00 N ATOM 274 CA GLU A 19 -6.554 -5.831 6.246 1.00 0.00 C ATOM 275 C GLU A 19 -5.672 -5.164 7.294 1.00 0.00 C ATOM 276 O GLU A 19 -5.000 -4.171 7.014 1.00 0.00 O ATOM 277 CB GLU A 19 -8.020 -5.479 6.503 1.00 0.00 C ATOM 278 CG GLU A 19 -8.327 -3.990 6.463 1.00 0.00 C ATOM 279 CD GLU A 19 -9.777 -3.684 6.711 1.00 0.00 C ATOM 280 OE1 GLU A 19 -10.531 -4.602 6.930 1.00 0.00 O ATOM 281 OE2 GLU A 19 -10.135 -2.529 6.681 1.00 0.00 O ATOM 0 H GLU A 19 -7.229 -7.810 6.374 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.264 -5.459 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.638 -5.985 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.309 -5.871 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.720 -3.479 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.038 -3.591 5.491 1.00 0.00 H new ATOM 288 N GLN A 20 -5.678 -5.715 8.504 1.00 0.00 N ATOM 289 CA GLN A 20 -4.942 -5.129 9.617 1.00 0.00 C ATOM 290 C GLN A 20 -3.440 -5.174 9.369 1.00 0.00 C ATOM 291 O GLN A 20 -2.722 -4.219 9.666 1.00 0.00 O ATOM 292 CB GLN A 20 -5.278 -5.853 10.923 1.00 0.00 C ATOM 293 CG GLN A 20 -6.695 -5.618 11.418 1.00 0.00 C ATOM 294 CD GLN A 20 -7.005 -6.402 12.679 1.00 0.00 C ATOM 295 OE1 GLN A 20 -6.326 -7.382 13.001 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.034 -5.977 13.401 1.00 0.00 N ATOM 0 H GLN A 20 -6.186 -6.568 8.738 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.244 -4.085 9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.127 -6.923 10.781 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.578 -5.532 11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.838 -4.555 11.610 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.401 -5.898 10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.568 -5.163 13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.291 -6.465 14.259 1.00 0.00 H new ATOM 305 N GLU A 21 -2.969 -6.289 8.822 1.00 0.00 N ATOM 306 CA GLU A 21 -1.551 -6.459 8.527 1.00 0.00 C ATOM 307 C GLU A 21 -1.124 -5.584 7.357 1.00 0.00 C ATOM 308 O GLU A 21 0.006 -5.098 7.312 1.00 0.00 O ATOM 309 CB GLU A 21 -1.242 -7.926 8.220 1.00 0.00 C ATOM 310 CG GLU A 21 -1.378 -8.861 9.414 1.00 0.00 C ATOM 311 CD GLU A 21 -0.446 -8.511 10.540 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.714 -8.294 10.281 1.00 0.00 O ATOM 313 OE2 GLU A 21 -0.894 -8.461 11.662 1.00 0.00 O ATOM 0 H GLU A 21 -3.550 -7.090 8.573 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.988 -6.152 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.910 -8.267 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.226 -7.997 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.405 -8.832 9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.183 -9.884 9.092 1.00 0.00 H new ATOM 320 N LEU A 22 -2.035 -5.386 6.409 1.00 0.00 N ATOM 321 CA LEU A 22 -1.800 -4.467 5.302 1.00 0.00 C ATOM 322 C LEU A 22 -1.667 -3.033 5.794 1.00 0.00 C ATOM 323 O LEU A 22 -0.845 -2.267 5.291 1.00 0.00 O ATOM 324 CB LEU A 22 -2.945 -4.561 4.285 1.00 0.00 C ATOM 325 CG LEU A 22 -3.022 -5.869 3.487 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.308 -5.892 2.671 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.802 -5.985 2.584 1.00 0.00 C ATOM 0 H LEU A 22 -2.943 -5.850 6.386 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.864 -4.753 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.888 -4.424 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.851 -3.733 3.582 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.030 -6.720 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.363 -6.821 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.165 -5.825 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.318 -5.046 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.856 -6.914 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.777 -5.140 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.898 -5.984 3.192 1.00 0.00 H new ATOM 339 N LYS A 23 -2.480 -2.674 6.782 1.00 0.00 N ATOM 340 CA LYS A 23 -2.379 -1.367 7.422 1.00 0.00 C ATOM 341 C LYS A 23 -1.022 -1.184 8.089 1.00 0.00 C ATOM 342 O LYS A 23 -0.404 -0.125 7.983 1.00 0.00 O ATOM 343 CB LYS A 23 -3.498 -1.185 8.447 1.00 0.00 C ATOM 344 CG LYS A 23 -3.500 0.170 9.143 1.00 0.00 C ATOM 345 CD LYS A 23 -4.692 0.310 10.077 1.00 0.00 C ATOM 346 CE LYS A 23 -4.686 1.658 10.783 1.00 0.00 C ATOM 347 NZ LYS A 23 -5.849 1.811 11.700 1.00 0.00 N ATOM 0 H LYS A 23 -3.217 -3.271 7.157 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.483 -0.607 6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.457 -1.325 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.414 -1.967 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.576 0.292 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.525 0.964 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.616 0.198 9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.673 -0.490 10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.761 1.767 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.702 2.456 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.807 2.742 12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.732 1.733 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.821 1.065 12.424 1.00 0.00 H new ATOM 361 N LYS A 24 -0.562 -2.224 8.777 1.00 0.00 N ATOM 362 CA LYS A 24 0.752 -2.204 9.410 1.00 0.00 C ATOM 363 C LYS A 24 1.850 -1.932 8.390 1.00 0.00 C ATOM 364 O LYS A 24 2.790 -1.184 8.659 1.00 0.00 O ATOM 365 CB LYS A 24 1.019 -3.525 10.133 1.00 0.00 C ATOM 366 CG LYS A 24 0.174 -3.742 11.380 1.00 0.00 C ATOM 367 CD LYS A 24 0.454 -5.098 12.009 1.00 0.00 C ATOM 368 CE LYS A 24 -0.458 -5.357 13.199 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.242 -6.709 13.782 1.00 0.00 N ATOM 0 H LYS A 24 -1.080 -3.092 8.911 1.00 0.00 H new ATOM 0 HA LYS A 24 0.758 -1.395 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.840 -4.347 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.072 -3.566 10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.381 -2.954 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.883 -3.669 11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.315 -5.882 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.495 -5.144 12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.281 -4.600 13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.498 -5.258 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.858 -6.832 14.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.468 -7.434 13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.752 -6.807 14.072 1.00 0.00 H new ATOM 383 N GLY A 25 1.727 -2.546 7.217 1.00 0.00 N ATOM 384 CA GLY A 25 2.657 -2.300 6.122 1.00 0.00 C ATOM 385 C GLY A 25 2.681 -0.826 5.740 1.00 0.00 C ATOM 386 O GLY A 25 3.747 -0.240 5.555 1.00 0.00 O ATOM 0 H GLY A 25 0.991 -3.218 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.658 -2.619 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.370 -2.898 5.257 1.00 0.00 H new ATOM 390 N TYR A 26 1.498 -0.231 5.623 1.00 0.00 N ATOM 391 CA TYR A 26 1.382 1.186 5.305 1.00 0.00 C ATOM 392 C TYR A 26 2.025 2.048 6.385 1.00 0.00 C ATOM 393 O TYR A 26 2.762 2.987 6.085 1.00 0.00 O ATOM 394 CB TYR A 26 -0.087 1.575 5.121 1.00 0.00 C ATOM 395 CG TYR A 26 -0.303 3.056 4.896 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.248 3.675 3.783 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.052 3.792 5.801 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.051 5.028 3.577 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.249 5.145 5.594 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.700 5.760 4.488 1.00 0.00 C ATOM 401 OH TYR A 26 -0.897 7.107 4.283 1.00 0.00 O ATOM 0 H TYR A 26 0.606 -0.710 5.744 1.00 0.00 H new ATOM 0 HA TYR A 26 1.913 1.363 4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.495 1.025 4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.648 1.265 6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.830 3.100 3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.481 3.309 6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.479 5.513 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.832 5.720 6.298 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.726 7.323 3.343 1.00 0.00 H new ATOM 411 N ARG A 27 1.741 1.723 7.641 1.00 0.00 N ATOM 412 CA ARG A 27 2.274 2.479 8.768 1.00 0.00 C ATOM 413 C ARG A 27 3.796 2.528 8.729 1.00 0.00 C ATOM 414 O ARG A 27 4.400 3.571 8.978 1.00 0.00 O ATOM 415 CB ARG A 27 1.822 1.867 10.085 1.00 0.00 C ATOM 416 CG ARG A 27 0.345 2.043 10.399 1.00 0.00 C ATOM 417 CD ARG A 27 -0.042 1.332 11.645 1.00 0.00 C ATOM 418 NE ARG A 27 0.579 1.922 12.820 1.00 0.00 N ATOM 419 CZ ARG A 27 0.595 1.356 14.042 1.00 0.00 C ATOM 420 NH1 ARG A 27 0.023 0.188 14.233 1.00 0.00 N ATOM 421 NH2 ARG A 27 1.187 1.974 15.050 1.00 0.00 N ATOM 0 H ARG A 27 1.143 0.940 7.905 1.00 0.00 H new ATOM 0 HA ARG A 27 1.889 3.496 8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.051 0.801 10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.405 2.308 10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.119 3.104 10.501 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.251 1.669 9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.126 1.357 11.756 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.246 0.284 11.569 1.00 0.00 H new ATOM 0 HE ARG A 27 1.034 2.828 12.711 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.433 -0.290 13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.035 -0.241 15.159 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.632 2.880 14.902 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.199 1.545 15.975 1.00 0.00 H new ATOM 435 N LYS A 28 4.410 1.392 8.416 1.00 0.00 N ATOM 436 CA LYS A 28 5.862 1.313 8.306 1.00 0.00 C ATOM 437 C LYS A 28 6.371 2.136 7.128 1.00 0.00 C ATOM 438 O LYS A 28 7.331 2.895 7.259 1.00 0.00 O ATOM 439 CB LYS A 28 6.311 -0.143 8.162 1.00 0.00 C ATOM 440 CG LYS A 28 6.132 -0.982 9.419 1.00 0.00 C ATOM 441 CD LYS A 28 6.559 -2.424 9.187 1.00 0.00 C ATOM 442 CE LYS A 28 6.359 -3.270 10.436 1.00 0.00 C ATOM 443 NZ LYS A 28 6.750 -4.688 10.215 1.00 0.00 N ATOM 0 H LYS A 28 3.925 0.513 8.234 1.00 0.00 H new ATOM 0 HA LYS A 28 6.288 1.726 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.751 -0.605 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.362 -0.160 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.718 -0.553 10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.088 -0.955 9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.984 -2.847 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.608 -2.451 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.948 -2.854 11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.314 -3.225 10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.599 -5.230 11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.171 -5.093 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.754 -4.734 9.949 1.00 0.00 H new ATOM 457 N ALA A 29 5.721 1.980 5.981 1.00 0.00 N ATOM 458 CA ALA A 29 6.100 2.716 4.780 1.00 0.00 C ATOM 459 C ALA A 29 5.851 4.209 4.948 1.00 0.00 C ATOM 460 O ALA A 29 6.611 5.037 4.444 1.00 0.00 O ATOM 461 CB ALA A 29 5.342 2.186 3.571 1.00 0.00 C ATOM 0 H ALA A 29 4.928 1.350 5.857 1.00 0.00 H new ATOM 0 HA ALA A 29 7.168 2.568 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.636 2.746 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.576 1.131 3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.270 2.301 3.734 1.00 0.00 H new ATOM 467 N ALA A 30 4.781 4.550 5.658 1.00 0.00 N ATOM 468 CA ALA A 30 4.434 5.944 5.903 1.00 0.00 C ATOM 469 C ALA A 30 5.515 6.646 6.717 1.00 0.00 C ATOM 470 O ALA A 30 5.855 7.798 6.452 1.00 0.00 O ATOM 471 CB ALA A 30 3.093 6.041 6.615 1.00 0.00 C ATOM 0 H ALA A 30 4.138 3.877 6.075 1.00 0.00 H new ATOM 0 HA ALA A 30 4.358 6.444 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.849 7.089 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.319 5.587 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.149 5.517 7.569 1.00 0.00 H new ATOM 477 N LEU A 31 6.052 5.942 7.708 1.00 0.00 N ATOM 478 CA LEU A 31 7.185 6.443 8.478 1.00 0.00 C ATOM 479 C LEU A 31 8.432 6.559 7.612 1.00 0.00 C ATOM 480 O LEU A 31 9.185 7.527 7.718 1.00 0.00 O ATOM 481 CB LEU A 31 7.465 5.520 9.670 1.00 0.00 C ATOM 482 CG LEU A 31 6.413 5.533 10.786 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.727 4.435 11.794 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.397 6.899 11.453 1.00 0.00 C ATOM 0 H LEU A 31 5.720 5.022 7.997 1.00 0.00 H new ATOM 0 HA LEU A 31 6.928 7.437 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.562 4.499 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.428 5.796 10.101 1.00 0.00 H new ATOM 0 HG LEU A 31 5.424 5.343 10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.979 4.444 12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.713 3.467 11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.714 4.607 12.224 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.649 6.908 12.246 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.379 7.108 11.878 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.151 7.662 10.714 1.00 0.00 H new ATOM 496 N LYS A 32 8.645 5.567 6.754 1.00 0.00 N ATOM 497 CA LYS A 32 9.796 5.561 5.861 1.00 0.00 C ATOM 498 C LYS A 32 9.820 6.808 4.984 1.00 0.00 C ATOM 499 O LYS A 32 10.866 7.435 4.811 1.00 0.00 O ATOM 500 CB LYS A 32 9.790 4.305 4.988 1.00 0.00 C ATOM 501 CG LYS A 32 10.982 4.187 4.047 1.00 0.00 C ATOM 502 CD LYS A 32 10.943 2.880 3.268 1.00 0.00 C ATOM 503 CE LYS A 32 12.134 2.762 2.327 1.00 0.00 C ATOM 504 NZ LYS A 32 12.116 1.483 1.566 1.00 0.00 N ATOM 0 H LYS A 32 8.034 4.756 6.659 1.00 0.00 H new ATOM 0 HA LYS A 32 10.695 5.560 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.765 3.428 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.874 4.292 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.985 5.027 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.908 4.244 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.941 2.040 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.017 2.823 2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.130 3.600 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.058 2.830 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.943 1.442 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.146 0.683 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.246 1.429 0.998 1.00 0.00 H new ATOM 518 N TYR A 33 8.664 7.160 4.434 1.00 0.00 N ATOM 519 CA TYR A 33 8.562 8.298 3.527 1.00 0.00 C ATOM 520 C TYR A 33 7.844 9.467 4.189 1.00 0.00 C ATOM 521 O TYR A 33 7.257 10.310 3.511 1.00 0.00 O ATOM 522 CB TYR A 33 7.842 7.892 2.239 1.00 0.00 C ATOM 523 CG TYR A 33 8.522 6.772 1.486 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.896 5.540 1.360 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.772 6.974 0.921 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.517 4.516 0.672 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.394 5.950 0.233 1.00 0.00 C ATOM 528 CZ TYR A 33 9.770 4.726 0.107 1.00 0.00 C ATOM 529 OH TYR A 33 10.390 3.706 -0.578 1.00 0.00 O ATOM 0 H TYR A 33 7.783 6.674 4.600 1.00 0.00 H new ATOM 0 HA TYR A 33 9.573 8.620 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.824 7.587 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.766 8.762 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.923 5.382 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.260 7.933 1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.031 3.556 0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.368 6.108 -0.206 1.00 0.00 H new ATOM 0 HH TYR A 33 11.258 4.016 -0.911 1.00 0.00 H new ATOM 539 N HIS A 34 7.895 9.512 5.516 1.00 0.00 N ATOM 540 CA HIS A 34 7.190 10.536 6.276 1.00 0.00 C ATOM 541 C HIS A 34 7.756 11.921 5.991 1.00 0.00 C ATOM 542 O HIS A 34 8.971 12.122 6.012 1.00 0.00 O ATOM 543 CB HIS A 34 7.266 10.245 7.778 1.00 0.00 C ATOM 544 CG HIS A 34 6.253 10.994 8.587 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.351 12.346 8.836 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.122 10.577 9.206 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.322 12.730 9.571 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.563 11.676 9.809 1.00 0.00 N ATOM 0 H HIS A 34 8.419 8.849 6.088 1.00 0.00 H new ATOM 0 HA HIS A 34 6.146 10.517 5.962 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.129 9.176 7.940 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.264 10.496 8.138 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.734 9.569 9.222 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.134 13.735 9.918 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.700 11.678 10.353 1.00 0.00 H new ATOM 556 N PRO A 35 6.870 12.875 5.726 1.00 0.00 N ATOM 557 CA PRO A 35 7.283 14.214 5.321 1.00 0.00 C ATOM 558 C PRO A 35 8.252 14.820 6.329 1.00 0.00 C ATOM 559 O PRO A 35 9.157 15.569 5.962 1.00 0.00 O ATOM 560 CB PRO A 35 5.960 14.984 5.276 1.00 0.00 C ATOM 561 CG PRO A 35 4.952 13.957 4.885 1.00 0.00 C ATOM 562 CD PRO A 35 5.385 12.711 5.611 1.00 0.00 C ATOM 0 HA PRO A 35 7.817 14.232 4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.723 15.426 6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.998 15.800 4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.945 14.257 5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.939 13.804 3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.912 12.632 6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.122 11.811 5.056 1.00 0.00 H new ATOM 570 N ASP A 36 8.055 14.491 7.602 1.00 0.00 N ATOM 571 CA ASP A 36 8.777 15.150 8.684 1.00 0.00 C ATOM 572 C ASP A 36 10.046 14.388 9.041 1.00 0.00 C ATOM 573 O ASP A 36 10.699 14.686 10.043 1.00 0.00 O ATOM 574 CB ASP A 36 7.887 15.281 9.922 1.00 0.00 C ATOM 575 CG ASP A 36 6.716 16.230 9.710 1.00 0.00 C ATOM 576 OD1 ASP A 36 6.818 17.092 8.871 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.728 16.082 10.391 1.00 0.00 O ATOM 0 H ASP A 36 7.401 13.771 7.909 1.00 0.00 H new ATOM 0 HA ASP A 36 9.056 16.145 8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.506 14.297 10.196 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.488 15.634 10.760 1.00 0.00 H new ATOM 582 N LYS A 37 10.393 13.405 8.220 1.00 0.00 N ATOM 583 CA LYS A 37 11.622 12.641 8.411 1.00 0.00 C ATOM 584 C LYS A 37 12.647 12.968 7.332 1.00 0.00 C ATOM 585 O LYS A 37 12.296 13.438 6.251 1.00 0.00 O ATOM 586 CB LYS A 37 11.325 11.141 8.417 1.00 0.00 C ATOM 587 CG LYS A 37 10.408 10.686 9.544 1.00 0.00 C ATOM 588 CD LYS A 37 11.066 10.871 10.903 1.00 0.00 C ATOM 589 CE LYS A 37 10.190 10.330 12.022 1.00 0.00 C ATOM 590 NZ LYS A 37 10.796 10.558 13.363 1.00 0.00 N ATOM 0 H LYS A 37 9.840 13.116 7.413 1.00 0.00 H new ATOM 0 HA LYS A 37 12.042 12.922 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.872 10.869 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.267 10.597 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.477 11.252 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.149 9.637 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.030 10.362 10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.263 11.930 11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.211 10.808 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.030 9.262 11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.168 10.175 14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.719 10.080 13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.926 11.578 13.516 1.00 0.00 H new ATOM 604 N PRO A 38 13.916 12.716 7.636 1.00 0.00 N ATOM 605 CA PRO A 38 14.996 12.999 6.698 1.00 0.00 C ATOM 606 C PRO A 38 14.770 12.295 5.368 1.00 0.00 C ATOM 607 O PRO A 38 15.169 12.793 4.315 1.00 0.00 O ATOM 608 CB PRO A 38 16.231 12.454 7.423 1.00 0.00 C ATOM 609 CG PRO A 38 15.889 12.571 8.869 1.00 0.00 C ATOM 610 CD PRO A 38 14.425 12.227 8.935 1.00 0.00 C ATOM 0 HA PRO A 38 15.083 14.056 6.445 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.432 11.420 7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.123 13.030 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.485 11.889 9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.078 13.578 9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.266 11.155 9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.931 12.718 9.774 1.00 0.00 H new ATOM 618 N THR A 39 14.127 11.133 5.420 1.00 0.00 N ATOM 619 CA THR A 39 13.914 10.321 4.228 1.00 0.00 C ATOM 620 C THR A 39 12.511 10.522 3.669 1.00 0.00 C ATOM 621 O THR A 39 12.009 9.692 2.912 1.00 0.00 O ATOM 622 CB THR A 39 14.142 8.827 4.527 1.00 0.00 C ATOM 623 OG1 THR A 39 13.246 8.403 5.562 1.00 0.00 O ATOM 624 CG2 THR A 39 15.577 8.585 4.971 1.00 0.00 C ATOM 0 H THR A 39 13.744 10.732 6.276 1.00 0.00 H new ATOM 0 HA THR A 39 14.639 10.646 3.482 1.00 0.00 H new ATOM 0 HB THR A 39 13.954 8.256 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.520 7.874 5.170 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.720 7.524 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.260 8.896 4.180 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.781 9.161 5.873 1.00 0.00 H new ATOM 632 N GLY A 40 11.883 11.631 4.046 1.00 0.00 N ATOM 633 CA GLY A 40 10.533 11.939 3.589 1.00 0.00 C ATOM 634 C GLY A 40 10.482 12.072 2.072 1.00 0.00 C ATOM 635 O GLY A 40 11.407 12.598 1.453 1.00 0.00 O ATOM 0 H GLY A 40 12.288 12.332 4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.849 11.154 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.193 12.866 4.050 1.00 0.00 H new ATOM 639 N ASP A 41 9.395 11.591 1.477 1.00 0.00 N ATOM 640 CA ASP A 41 9.231 11.634 0.030 1.00 0.00 C ATOM 641 C ASP A 41 7.757 11.655 -0.357 1.00 0.00 C ATOM 642 O ASP A 41 7.077 10.630 -0.302 1.00 0.00 O ATOM 643 CB ASP A 41 9.920 10.436 -0.626 1.00 0.00 C ATOM 644 CG ASP A 41 9.871 10.482 -2.146 1.00 0.00 C ATOM 645 OD1 ASP A 41 8.912 10.993 -2.674 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.792 10.005 -2.765 1.00 0.00 O ATOM 0 H ASP A 41 8.614 11.166 1.977 1.00 0.00 H new ATOM 0 HA ASP A 41 9.696 12.553 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.960 10.400 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.446 9.517 -0.280 1.00 0.00 H new ATOM 651 N THR A 42 7.270 12.826 -0.750 1.00 0.00 N ATOM 652 CA THR A 42 5.848 13.016 -1.013 1.00 0.00 C ATOM 653 C THR A 42 5.366 12.088 -2.121 1.00 0.00 C ATOM 654 O THR A 42 4.287 11.503 -2.029 1.00 0.00 O ATOM 655 CB THR A 42 5.544 14.476 -1.393 1.00 0.00 C ATOM 656 OG1 THR A 42 5.886 15.338 -0.300 1.00 0.00 O ATOM 657 CG2 THR A 42 4.069 14.645 -1.725 1.00 0.00 C ATOM 0 H THR A 42 7.840 13.660 -0.894 1.00 0.00 H new ATOM 0 HA THR A 42 5.314 12.774 -0.094 1.00 0.00 H new ATOM 0 HB THR A 42 6.135 14.738 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.694 16.267 -0.544 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.873 15.684 -1.991 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.809 14.000 -2.564 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.467 14.373 -0.858 1.00 0.00 H new ATOM 665 N GLU A 43 6.171 11.959 -3.171 1.00 0.00 N ATOM 666 CA GLU A 43 5.815 11.122 -4.310 1.00 0.00 C ATOM 667 C GLU A 43 5.596 9.676 -3.885 1.00 0.00 C ATOM 668 O GLU A 43 4.568 9.075 -4.199 1.00 0.00 O ATOM 669 CB GLU A 43 6.907 11.188 -5.381 1.00 0.00 C ATOM 670 CG GLU A 43 6.620 10.355 -6.623 1.00 0.00 C ATOM 671 CD GLU A 43 7.681 10.496 -7.679 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.582 11.276 -7.488 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.589 9.821 -8.678 1.00 0.00 O ATOM 0 H GLU A 43 7.075 12.424 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 43 4.881 11.503 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.044 12.227 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.848 10.855 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.534 9.306 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.658 10.652 -7.040 1.00 0.00 H new ATOM 680 N LYS A 44 6.567 9.121 -3.168 1.00 0.00 N ATOM 681 CA LYS A 44 6.488 7.740 -2.709 1.00 0.00 C ATOM 682 C LYS A 44 5.428 7.579 -1.626 1.00 0.00 C ATOM 683 O LYS A 44 4.779 6.538 -1.528 1.00 0.00 O ATOM 684 CB LYS A 44 7.846 7.268 -2.189 1.00 0.00 C ATOM 685 CG LYS A 44 8.946 7.233 -3.243 1.00 0.00 C ATOM 686 CD LYS A 44 8.565 6.333 -4.408 1.00 0.00 C ATOM 687 CE LYS A 44 8.631 4.863 -4.018 1.00 0.00 C ATOM 688 NZ LYS A 44 8.342 3.968 -5.170 1.00 0.00 N ATOM 0 H LYS A 44 7.420 9.608 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 44 6.202 7.123 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.159 7.924 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.733 6.270 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.136 8.243 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.873 6.877 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.557 6.577 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.235 6.519 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.621 4.637 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.916 4.667 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.414 2.976 -4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.381 4.154 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.029 4.148 -5.930 1.00 0.00 H new ATOM 702 N PHE A 45 5.258 8.617 -0.814 1.00 0.00 N ATOM 703 CA PHE A 45 4.224 8.623 0.213 1.00 0.00 C ATOM 704 C PHE A 45 2.833 8.546 -0.405 1.00 0.00 C ATOM 705 O PHE A 45 1.955 7.851 0.106 1.00 0.00 O ATOM 706 CB PHE A 45 4.334 9.884 1.074 1.00 0.00 C ATOM 707 CG PHE A 45 3.489 9.846 2.315 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.215 10.396 2.321 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.964 9.261 3.478 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.436 10.361 3.461 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.187 9.223 4.621 1.00 0.00 C ATOM 712 CZ PHE A 45 1.921 9.776 4.611 1.00 0.00 C ATOM 0 H PHE A 45 5.824 9.465 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 45 4.374 7.744 0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.376 10.028 1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.045 10.748 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.828 10.857 1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.954 8.829 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.446 10.792 3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.569 8.762 5.520 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.312 9.750 5.503 1.00 0.00 H new ATOM 722 N LYS A 46 2.640 9.263 -1.507 1.00 0.00 N ATOM 723 CA LYS A 46 1.387 9.203 -2.249 1.00 0.00 C ATOM 724 C LYS A 46 1.138 7.802 -2.797 1.00 0.00 C ATOM 725 O LYS A 46 0.023 7.287 -2.728 1.00 0.00 O ATOM 726 CB LYS A 46 1.392 10.220 -3.391 1.00 0.00 C ATOM 727 CG LYS A 46 0.105 10.259 -4.205 1.00 0.00 C ATOM 728 CD LYS A 46 0.160 11.339 -5.275 1.00 0.00 C ATOM 729 CE LYS A 46 -1.112 11.357 -6.111 1.00 0.00 C ATOM 730 NZ LYS A 46 -1.072 12.408 -7.162 1.00 0.00 N ATOM 0 H LYS A 46 3.336 9.893 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 46 0.579 9.448 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.576 11.212 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.223 9.994 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.061 9.289 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.741 10.443 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.302 12.312 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.020 11.169 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.253 10.382 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.971 11.526 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.957 12.386 -7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.963 13.341 -6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.268 12.233 -7.798 1.00 0.00 H new ATOM 744 N GLU A 47 2.186 7.190 -3.340 1.00 0.00 N ATOM 745 CA GLU A 47 2.072 5.866 -3.940 1.00 0.00 C ATOM 746 C GLU A 47 1.584 4.841 -2.925 1.00 0.00 C ATOM 747 O GLU A 47 0.687 4.048 -3.211 1.00 0.00 O ATOM 748 CB GLU A 47 3.420 5.424 -4.517 1.00 0.00 C ATOM 749 CG GLU A 47 3.839 6.172 -5.775 1.00 0.00 C ATOM 750 CD GLU A 47 5.175 5.726 -6.301 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.769 4.861 -5.704 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.604 6.253 -7.301 1.00 0.00 O ATOM 0 H GLU A 47 3.124 7.590 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 47 1.340 5.928 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.189 5.557 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.374 4.358 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.083 6.027 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.876 7.240 -5.562 1.00 0.00 H new ATOM 759 N ILE A 48 2.179 4.862 -1.737 1.00 0.00 N ATOM 760 CA ILE A 48 1.835 3.909 -0.690 1.00 0.00 C ATOM 761 C ILE A 48 0.487 4.243 -0.063 1.00 0.00 C ATOM 762 O ILE A 48 -0.187 3.371 0.486 1.00 0.00 O ATOM 763 CB ILE A 48 2.917 3.879 0.404 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.012 5.240 1.099 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.262 3.485 -0.189 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.883 5.235 2.334 1.00 0.00 C ATOM 0 H ILE A 48 2.904 5.531 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 48 1.772 2.925 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 48 2.638 3.132 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.404 5.972 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.010 5.568 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.016 3.469 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.185 2.495 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.549 4.209 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.901 6.234 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.481 4.529 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.897 4.939 2.063 1.00 0.00 H new ATOM 778 N SER A 49 0.098 5.511 -0.148 1.00 0.00 N ATOM 779 CA SER A 49 -1.211 5.945 0.325 1.00 0.00 C ATOM 780 C SER A 49 -2.321 5.438 -0.586 1.00 0.00 C ATOM 781 O SER A 49 -3.390 5.043 -0.119 1.00 0.00 O ATOM 782 CB SER A 49 -1.260 7.457 0.406 1.00 0.00 C ATOM 783 OG SER A 49 -0.410 7.936 1.413 1.00 0.00 O ATOM 0 H SER A 49 0.672 6.257 -0.541 1.00 0.00 H new ATOM 0 HA SER A 49 -1.367 5.525 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.970 7.885 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.282 7.781 0.604 1.00 0.00 H new ATOM 0 HG SER A 49 0.477 8.113 1.036 1.00 0.00 H new ATOM 789 N GLU A 50 -2.063 5.454 -1.890 1.00 0.00 N ATOM 790 CA GLU A 50 -2.953 4.820 -2.855 1.00 0.00 C ATOM 791 C GLU A 50 -3.012 3.312 -2.643 1.00 0.00 C ATOM 792 O GLU A 50 -4.087 2.713 -2.671 1.00 0.00 O ATOM 793 CB GLU A 50 -2.499 5.127 -4.282 1.00 0.00 C ATOM 794 CG GLU A 50 -2.814 6.540 -4.754 1.00 0.00 C ATOM 795 CD GLU A 50 -2.345 6.808 -6.157 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.406 6.176 -6.579 1.00 0.00 O ATOM 797 OE2 GLU A 50 -2.926 7.645 -6.806 1.00 0.00 O ATOM 0 H GLU A 50 -1.244 5.900 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.953 5.227 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.423 4.966 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.971 4.417 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.890 6.704 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.347 7.256 -4.078 1.00 0.00 H new ATOM 804 N ALA A 51 -1.850 2.704 -2.431 1.00 0.00 N ATOM 805 CA ALA A 51 -1.772 1.277 -2.144 1.00 0.00 C ATOM 806 C ALA A 51 -2.601 0.918 -0.916 1.00 0.00 C ATOM 807 O ALA A 51 -3.352 -0.057 -0.927 1.00 0.00 O ATOM 808 CB ALA A 51 -0.323 0.854 -1.947 1.00 0.00 C ATOM 0 H ALA A 51 -0.947 3.179 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.182 0.738 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.282 -0.214 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.244 1.065 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.107 1.408 -1.113 1.00 0.00 H new ATOM 814 N PHE A 52 -2.458 1.711 0.141 1.00 0.00 N ATOM 815 CA PHE A 52 -3.221 1.502 1.364 1.00 0.00 C ATOM 816 C PHE A 52 -4.719 1.596 1.101 1.00 0.00 C ATOM 817 O PHE A 52 -5.471 0.666 1.390 1.00 0.00 O ATOM 818 CB PHE A 52 -2.819 2.526 2.428 1.00 0.00 C ATOM 819 CG PHE A 52 -3.674 2.484 3.662 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.637 1.390 4.514 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.518 3.540 3.974 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.423 1.352 5.649 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.304 3.505 5.109 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.257 2.409 5.947 1.00 0.00 C ATOM 0 H PHE A 52 -1.819 2.505 0.174 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.996 0.499 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.780 2.354 2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.870 3.525 1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.986 0.558 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.561 4.400 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.384 0.494 6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.955 4.335 5.341 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.872 2.379 6.834 1.00 0.00 H new ATOM 834 N GLU A 53 -5.148 2.729 0.552 1.00 0.00 N ATOM 835 CA GLU A 53 -6.564 2.978 0.316 1.00 0.00 C ATOM 836 C GLU A 53 -7.192 1.857 -0.502 1.00 0.00 C ATOM 837 O GLU A 53 -8.261 1.349 -0.160 1.00 0.00 O ATOM 838 CB GLU A 53 -6.759 4.316 -0.399 1.00 0.00 C ATOM 839 CG GLU A 53 -8.171 4.554 -0.916 1.00 0.00 C ATOM 840 CD GLU A 53 -9.185 4.672 0.188 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.805 5.006 1.285 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.341 4.428 -0.066 1.00 0.00 O ATOM 0 H GLU A 53 -4.533 3.489 0.262 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.061 3.015 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.496 5.122 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.064 4.371 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.185 5.465 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.454 3.734 -1.577 1.00 0.00 H new ATOM 849 N ILE A 54 -6.523 1.475 -1.584 1.00 0.00 N ATOM 850 CA ILE A 54 -7.030 0.437 -2.473 1.00 0.00 C ATOM 851 C ILE A 54 -7.054 -0.920 -1.779 1.00 0.00 C ATOM 852 O ILE A 54 -8.001 -1.689 -1.930 1.00 0.00 O ATOM 853 CB ILE A 54 -6.181 0.345 -3.753 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.350 1.611 -4.598 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.560 -0.891 -4.556 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.322 1.753 -5.696 1.00 0.00 C ATOM 0 H ILE A 54 -5.626 1.870 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.050 0.712 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.132 0.259 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.345 1.610 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.294 2.482 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.950 -0.940 -5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.389 -1.783 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.613 -0.836 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.507 2.673 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.324 1.787 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.392 0.901 -6.372 1.00 0.00 H new ATOM 868 N LEU A 55 -6.004 -1.207 -1.016 1.00 0.00 N ATOM 869 CA LEU A 55 -5.862 -2.502 -0.362 1.00 0.00 C ATOM 870 C LEU A 55 -6.556 -2.511 0.993 1.00 0.00 C ATOM 871 O LEU A 55 -6.662 -3.554 1.640 1.00 0.00 O ATOM 872 CB LEU A 55 -4.378 -2.848 -0.188 1.00 0.00 C ATOM 873 CG LEU A 55 -3.573 -3.001 -1.484 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.107 -3.235 -1.148 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.138 -4.154 -2.299 1.00 0.00 C ATOM 0 H LEU A 55 -5.238 -0.558 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.335 -3.252 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.912 -2.071 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.305 -3.778 0.375 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.648 -2.090 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.535 -3.344 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.724 -2.387 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.011 -4.143 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.566 -4.263 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.072 -5.075 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.181 -3.951 -2.541 1.00 0.00 H new ATOM 887 N ASN A 56 -7.029 -1.344 1.419 1.00 0.00 N ATOM 888 CA ASN A 56 -7.806 -1.236 2.649 1.00 0.00 C ATOM 889 C ASN A 56 -9.261 -1.623 2.416 1.00 0.00 C ATOM 890 O ASN A 56 -9.780 -2.538 3.054 1.00 0.00 O ATOM 891 CB ASN A 56 -7.711 0.168 3.217 1.00 0.00 C ATOM 892 CG ASN A 56 -8.375 0.294 4.559 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.917 -0.286 5.550 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.449 1.040 4.612 1.00 0.00 N ATOM 0 H ASN A 56 -6.888 -0.460 0.931 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.386 -1.933 3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.662 0.449 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.171 0.870 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.943 1.161 5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.792 1.501 3.769 1.00 0.00 H new ATOM 901 N ASP A 57 -9.915 -0.919 1.499 1.00 0.00 N ATOM 902 CA ASP A 57 -11.283 -1.247 1.112 1.00 0.00 C ATOM 903 C ASP A 57 -11.359 -2.630 0.478 1.00 0.00 C ATOM 904 O ASP A 57 -10.766 -2.875 -0.573 1.00 0.00 O ATOM 905 CB ASP A 57 -11.831 -0.202 0.138 1.00 0.00 C ATOM 906 CG ASP A 57 -13.295 -0.428 -0.211 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.783 -1.509 0.024 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.914 0.482 -0.709 1.00 0.00 O ATOM 0 H ASP A 57 -9.520 -0.116 1.009 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.891 -1.247 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.716 0.790 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.238 -0.219 -0.776 1.00 0.00 H new ATOM 913 N PRO A 58 -12.093 -3.531 1.122 1.00 0.00 N ATOM 914 CA PRO A 58 -12.208 -4.906 0.649 1.00 0.00 C ATOM 915 C PRO A 58 -12.623 -4.950 -0.816 1.00 0.00 C ATOM 916 O PRO A 58 -12.181 -5.817 -1.570 1.00 0.00 O ATOM 917 CB PRO A 58 -13.288 -5.495 1.561 1.00 0.00 C ATOM 918 CG PRO A 58 -13.125 -4.757 2.846 1.00 0.00 C ATOM 919 CD PRO A 58 -12.799 -3.348 2.429 1.00 0.00 C ATOM 0 HA PRO A 58 -11.269 -5.459 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.284 -5.351 1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.152 -6.568 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -14.036 -4.794 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.328 -5.187 3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.699 -2.743 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.166 -2.848 3.162 1.00 0.00 H new ATOM 927 N GLN A 59 -13.476 -4.011 -1.213 1.00 0.00 N ATOM 928 CA GLN A 59 -13.973 -3.957 -2.582 1.00 0.00 C ATOM 929 C GLN A 59 -12.868 -3.573 -3.556 1.00 0.00 C ATOM 930 O GLN A 59 -12.735 -4.168 -4.626 1.00 0.00 O ATOM 931 CB GLN A 59 -15.134 -2.966 -2.691 1.00 0.00 C ATOM 932 CG GLN A 59 -15.789 -2.923 -4.062 1.00 0.00 C ATOM 933 CD GLN A 59 -16.458 -4.235 -4.424 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.314 -4.736 -3.690 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.072 -4.799 -5.564 1.00 0.00 N ATOM 0 H GLN A 59 -13.837 -3.276 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.329 -4.953 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.889 -3.224 -1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.771 -1.969 -2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.529 -2.123 -4.083 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.037 -2.682 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.360 -4.349 -6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.487 -5.681 -5.863 1.00 0.00 H new ATOM 944 N LYS A 60 -12.075 -2.576 -3.179 1.00 0.00 N ATOM 945 CA LYS A 60 -10.991 -2.096 -4.028 1.00 0.00 C ATOM 946 C LYS A 60 -9.852 -3.105 -4.092 1.00 0.00 C ATOM 947 O LYS A 60 -9.234 -3.293 -5.138 1.00 0.00 O ATOM 948 CB LYS A 60 -10.471 -0.749 -3.525 1.00 0.00 C ATOM 949 CG LYS A 60 -11.453 0.405 -3.688 1.00 0.00 C ATOM 950 CD LYS A 60 -10.869 1.706 -3.156 1.00 0.00 C ATOM 951 CE LYS A 60 -11.874 2.844 -3.253 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.308 4.129 -2.760 1.00 0.00 N ATOM 0 H LYS A 60 -12.163 -2.084 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.390 -1.968 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.212 -0.844 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.552 -0.506 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.708 0.522 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.378 0.176 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.566 1.573 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.972 1.962 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.191 2.961 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.763 2.593 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.035 4.871 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.998 4.016 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.495 4.399 -3.350 1.00 0.00 H new ATOM 966 N ARG A 61 -9.582 -3.754 -2.963 1.00 0.00 N ATOM 967 CA ARG A 61 -8.558 -4.792 -2.904 1.00 0.00 C ATOM 968 C ARG A 61 -8.927 -5.980 -3.784 1.00 0.00 C ATOM 969 O ARG A 61 -8.090 -6.503 -4.518 1.00 0.00 O ATOM 970 CB ARG A 61 -8.361 -5.268 -1.472 1.00 0.00 C ATOM 971 CG ARG A 61 -7.252 -6.290 -1.284 1.00 0.00 C ATOM 972 CD ARG A 61 -7.004 -6.575 0.153 1.00 0.00 C ATOM 973 NE ARG A 61 -8.147 -7.216 0.783 1.00 0.00 N ATOM 974 CZ ARG A 61 -8.941 -6.634 1.702 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.705 -5.398 2.085 1.00 0.00 N ATOM 976 NH2 ARG A 61 -9.957 -7.303 2.218 1.00 0.00 N ATOM 0 H ARG A 61 -10.058 -3.580 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.629 -4.357 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.149 -4.403 -0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.297 -5.699 -1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.518 -7.214 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.336 -5.921 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.128 -7.217 0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.777 -5.645 0.674 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.363 -8.175 0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.921 -4.881 1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.306 -4.956 2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.141 -8.261 1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.558 -6.861 2.914 1.00 0.00 H new ATOM 990 N GLU A 62 -10.185 -6.399 -3.706 1.00 0.00 N ATOM 991 CA GLU A 62 -10.689 -7.470 -4.559 1.00 0.00 C ATOM 992 C GLU A 62 -10.502 -7.134 -6.033 1.00 0.00 C ATOM 993 O GLU A 62 -10.007 -7.954 -6.808 1.00 0.00 O ATOM 994 CB GLU A 62 -12.170 -7.729 -4.269 1.00 0.00 C ATOM 995 CG GLU A 62 -12.784 -8.852 -5.092 1.00 0.00 C ATOM 996 CD GLU A 62 -14.224 -9.109 -4.748 1.00 0.00 C ATOM 997 OE1 GLU A 62 -14.741 -8.433 -3.891 1.00 0.00 O ATOM 998 OE2 GLU A 62 -14.810 -9.982 -5.345 1.00 0.00 O ATOM 0 H GLU A 62 -10.875 -6.014 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.117 -8.371 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.285 -7.965 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.730 -6.812 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.707 -8.604 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.210 -9.765 -4.936 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.903 -5.926 -6.414 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.771 -5.477 -7.795 1.00 0.00 C ATOM 1007 C ILE A 63 -9.314 -5.487 -8.243 1.00 0.00 C ATOM 1008 O ILE A 63 -8.999 -5.918 -9.352 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.352 -4.062 -7.971 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.871 -4.082 -7.781 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.989 -3.504 -9.338 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.485 -2.709 -7.629 1.00 0.00 C ATOM 0 H ILE A 63 -11.322 -5.240 -5.786 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.334 -6.174 -8.416 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.919 -3.412 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.328 -4.582 -8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.110 -4.676 -6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.408 -2.503 -9.445 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.904 -3.456 -9.435 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.394 -4.152 -10.115 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.563 -2.805 -7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.057 -2.213 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.279 -2.117 -8.521 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.431 -5.012 -7.372 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.000 -5.013 -7.656 1.00 0.00 C ATOM 1026 C TYR A 64 -6.484 -6.427 -7.884 1.00 0.00 C ATOM 1027 O TYR A 64 -5.808 -6.699 -8.877 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.228 -4.343 -6.516 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.726 -4.408 -6.676 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.100 -3.653 -7.657 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.974 -5.222 -5.842 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.727 -3.711 -7.802 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.602 -5.280 -5.987 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.978 -4.530 -6.963 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.612 -4.588 -7.109 1.00 0.00 O ATOM 0 H TYR A 64 -8.680 -4.621 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.840 -4.444 -8.572 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.532 -3.298 -6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.505 -4.817 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.686 -3.020 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.462 -5.811 -5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.237 -3.123 -8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.017 -5.913 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.370 -4.335 -8.024 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.806 -7.325 -6.960 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.313 -8.697 -7.018 1.00 0.00 C ATOM 1047 C ASP A 65 -6.820 -9.411 -8.265 1.00 0.00 C ATOM 1048 O ASP A 65 -6.104 -10.210 -8.867 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.738 -9.473 -5.769 1.00 0.00 C ATOM 1050 CG ASP A 65 -6.003 -9.023 -4.514 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.003 -8.357 -4.640 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.449 -9.350 -3.440 1.00 0.00 O ATOM 0 H ASP A 65 -7.407 -7.128 -6.160 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.225 -8.657 -7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.811 -9.351 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.557 -10.536 -5.929 1.00 0.00 H new ATOM 1057 N GLN A 66 -8.058 -9.118 -8.647 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.711 -9.826 -9.740 1.00 0.00 C ATOM 1059 C GLN A 66 -8.353 -9.211 -11.087 1.00 0.00 C ATOM 1060 O GLN A 66 -8.130 -9.923 -12.066 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.230 -9.823 -9.551 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.714 -10.668 -8.386 1.00 0.00 C ATOM 1063 CD GLN A 66 -12.219 -10.597 -8.206 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -12.876 -9.682 -8.707 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -12.773 -11.566 -7.486 1.00 0.00 N ATOM 0 H GLN A 66 -8.630 -8.393 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.354 -10.856 -9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.565 -8.796 -9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.699 -10.183 -10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.418 -11.705 -8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.225 -10.334 -7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.191 -12.304 -7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.781 -11.572 -7.329 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.300 -7.884 -11.129 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.230 -7.160 -12.394 1.00 0.00 C ATOM 1076 C TYR A 67 -6.928 -6.377 -12.507 1.00 0.00 C ATOM 1077 O TYR A 67 -6.269 -6.397 -13.547 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.429 -6.221 -12.541 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.765 -6.930 -12.519 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.198 -7.628 -13.638 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.557 -6.882 -11.382 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.418 -8.275 -13.618 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.777 -7.529 -11.363 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.208 -8.222 -12.475 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.423 -8.867 -12.455 1.00 0.00 O ATOM 0 H TYR A 67 -8.304 -7.287 -10.302 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.257 -7.892 -13.201 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.404 -5.487 -11.736 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.335 -5.671 -13.477 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.581 -7.665 -14.524 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.220 -6.339 -10.511 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.757 -8.820 -14.487 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.394 -7.492 -10.477 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.850 -8.734 -11.583 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.564 -5.685 -11.433 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.288 -4.982 -11.370 1.00 0.00 C ATOM 1097 C GLY A 68 -5.482 -3.521 -10.988 1.00 0.00 C ATOM 1098 O GLY A 68 -6.603 -3.079 -10.736 1.00 0.00 O ATOM 0 H GLY A 68 -7.136 -5.596 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.638 -5.468 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.787 -5.045 -12.336 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.384 -2.774 -10.946 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.414 -1.394 -10.477 1.00 0.00 C ATOM 1104 C LEU A 69 -5.267 -0.521 -11.389 1.00 0.00 C ATOM 1105 O LEU A 69 -6.125 0.228 -10.921 1.00 0.00 O ATOM 1106 CB LEU A 69 -2.990 -0.829 -10.405 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.880 0.647 -10.000 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.501 0.844 -8.623 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.416 1.067 -10.003 1.00 0.00 C ATOM 0 H LEU A 69 -3.461 -3.102 -11.232 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.858 -1.388 -9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.418 -1.425 -9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.519 -0.955 -11.380 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.419 1.270 -10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.423 1.892 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.551 0.553 -8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.974 0.228 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.338 2.115 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.860 0.454 -9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.001 0.933 -11.002 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.027 -0.623 -12.691 1.00 0.00 N ATOM 1122 CA GLU A 70 -5.761 0.172 -13.670 1.00 0.00 C ATOM 1123 C GLU A 70 -7.264 0.066 -13.452 1.00 0.00 C ATOM 1124 O GLU A 70 -7.972 1.072 -13.433 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.407 -0.273 -15.091 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.098 0.524 -16.189 1.00 0.00 C ATOM 1127 CD GLU A 70 -5.712 0.071 -17.570 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -4.917 -0.830 -17.678 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -6.212 0.631 -18.518 1.00 0.00 O ATOM 0 H GLU A 70 -4.330 -1.249 -13.094 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.470 1.214 -13.538 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.328 -0.194 -15.225 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.666 -1.326 -15.205 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.178 0.435 -16.071 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.851 1.580 -16.076 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.746 -1.162 -13.286 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.161 -1.401 -13.033 1.00 0.00 C ATOM 1138 C ALA A 71 -9.594 -0.797 -11.704 1.00 0.00 C ATOM 1139 O ALA A 71 -10.660 -0.190 -11.603 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.460 -2.893 -13.058 1.00 0.00 C ATOM 0 H ALA A 71 -7.176 -2.007 -13.322 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.730 -0.914 -13.825 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.521 -3.055 -12.867 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.201 -3.300 -14.036 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.873 -3.395 -12.289 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.760 -0.967 -10.684 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.057 -0.442 -9.356 1.00 0.00 C ATOM 1148 C ALA A 72 -9.194 1.074 -9.380 1.00 0.00 C ATOM 1149 O ALA A 72 -10.037 1.643 -8.685 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.977 -0.860 -8.369 1.00 0.00 C ATOM 0 H ALA A 72 -7.872 -1.465 -10.751 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.011 -0.860 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.212 -0.461 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.931 -1.948 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.013 -0.471 -8.698 1.00 0.00 H new