USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 378 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 35 TYR OH : rot 167:sc= 0.883 USER MOD Set 1.2: A 46 TYR OH : rot 156:sc= 1.85! USER MOD Single : A 1 LYS N :NH3+ 160:sc= 0.84 (180deg=0.524) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -111:sc= -1.45 (180deg=-4.43!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.28! C(o=-2.3!,f=-7.8!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -1.56! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -113:sc= -1.69! (180deg=-3.29!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 45:sc= -4.34! USER MOD Single : A 44 TYR OH : rot 165:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.72! C(o=-1.7!,f=-8!) USER MOD Single : A 52 SER OG : rot -147:sc= -1.33! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= 0.0765 (180deg=0.00597) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.072 13.692 1.740 1.00 0.00 N ATOM 2 CA LYS A 1 4.896 12.238 1.458 1.00 0.00 C ATOM 3 C LYS A 1 4.252 11.565 2.670 1.00 0.00 C ATOM 4 O LYS A 1 3.947 12.208 3.655 1.00 0.00 O ATOM 5 CB LYS A 1 6.263 11.602 1.195 1.00 0.00 C ATOM 6 CG LYS A 1 7.100 11.663 2.473 1.00 0.00 C ATOM 7 CD LYS A 1 8.464 12.280 2.164 1.00 0.00 C ATOM 8 CE LYS A 1 9.413 12.028 3.337 1.00 0.00 C ATOM 9 NZ LYS A 1 9.426 13.221 4.230 1.00 0.00 N ATOM 0 H1 LYS A 1 5.790 14.086 1.099 1.00 0.00 H new ATOM 0 H2 LYS A 1 4.169 14.186 1.593 1.00 0.00 H new ATOM 0 H3 LYS A 1 5.380 13.820 2.725 1.00 0.00 H new ATOM 0 HA LYS A 1 4.259 12.109 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.141 10.567 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.772 12.127 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.585 12.255 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.227 10.662 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 1 8.873 11.847 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.360 13.351 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 1 9.094 11.147 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 1 10.419 11.825 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 10.071 13.050 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.750 14.052 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.466 13.394 4.592 1.00 0.00 H new ATOM 25 N LYS A 2 4.038 10.279 2.609 1.00 0.00 N ATOM 26 CA LYS A 2 3.412 9.581 3.766 1.00 0.00 C ATOM 27 C LYS A 2 3.468 8.066 3.553 1.00 0.00 C ATOM 28 O LYS A 2 3.164 7.563 2.490 1.00 0.00 O ATOM 29 CB LYS A 2 1.953 10.039 3.897 1.00 0.00 C ATOM 30 CG LYS A 2 1.145 9.015 4.703 1.00 0.00 C ATOM 31 CD LYS A 2 0.332 8.142 3.743 1.00 0.00 C ATOM 32 CE LYS A 2 -0.848 8.948 3.192 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.117 8.544 1.780 1.00 0.00 N ATOM 0 H LYS A 2 4.268 9.685 1.813 1.00 0.00 H new ATOM 0 HA LYS A 2 3.955 9.826 4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.913 11.012 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.513 10.162 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.814 8.394 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.480 9.526 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.964 7.797 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.031 7.254 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.734 8.779 3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.627 10.014 3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.866 9.326 1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.547 7.707 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.126 8.318 1.670 1.00 0.00 H new ATOM 47 N ASP A 3 3.829 7.340 4.572 1.00 0.00 N ATOM 48 CA ASP A 3 3.884 5.859 4.464 1.00 0.00 C ATOM 49 C ASP A 3 2.458 5.324 4.610 1.00 0.00 C ATOM 50 O ASP A 3 1.580 6.026 5.071 1.00 0.00 O ATOM 51 CB ASP A 3 4.740 5.323 5.607 1.00 0.00 C ATOM 52 CG ASP A 3 5.883 6.301 5.877 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.583 6.638 4.935 1.00 0.00 O ATOM 54 OD2 ASP A 3 6.041 6.696 7.020 1.00 0.00 O ATOM 0 H ASP A 3 4.091 7.714 5.484 1.00 0.00 H new ATOM 0 HA ASP A 3 4.309 5.551 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.133 5.197 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.138 4.341 5.350 1.00 0.00 H new ATOM 59 N GLY A 4 2.206 4.100 4.242 1.00 0.00 N ATOM 60 CA GLY A 4 0.815 3.575 4.395 1.00 0.00 C ATOM 61 C GLY A 4 0.531 2.483 3.366 1.00 0.00 C ATOM 62 O GLY A 4 1.398 2.072 2.623 1.00 0.00 O ATOM 0 H GLY A 4 2.886 3.449 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.680 3.177 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.099 4.388 4.276 1.00 0.00 H new ATOM 66 N TYR A 5 -0.692 2.019 3.321 1.00 0.00 N ATOM 67 CA TYR A 5 -1.069 0.960 2.340 1.00 0.00 C ATOM 68 C TYR A 5 -1.712 1.629 1.112 1.00 0.00 C ATOM 69 O TYR A 5 -2.830 2.097 1.190 1.00 0.00 O ATOM 70 CB TYR A 5 -2.091 0.011 2.975 1.00 0.00 C ATOM 71 CG TYR A 5 -1.524 -0.617 4.229 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.393 -1.439 4.157 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.142 -0.384 5.464 1.00 0.00 C ATOM 74 CE1 TYR A 5 0.121 -2.027 5.320 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.628 -0.973 6.626 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.497 -1.794 6.554 1.00 0.00 C ATOM 77 OH TYR A 5 0.008 -2.372 7.700 1.00 0.00 O ATOM 0 H TYR A 5 -1.450 2.332 3.927 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.181 0.400 2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.003 0.557 3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.364 -0.768 2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.083 -1.620 3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.015 0.250 5.520 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.994 -2.660 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.105 -0.793 7.578 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.539 -2.106 8.469 1.00 0.00 H new ATOM 87 N PRO A 6 -0.992 1.658 0.017 1.00 0.00 N ATOM 88 CA PRO A 6 -1.486 2.271 -1.233 1.00 0.00 C ATOM 89 C PRO A 6 -2.646 1.460 -1.823 1.00 0.00 C ATOM 90 O PRO A 6 -2.506 0.293 -2.131 1.00 0.00 O ATOM 91 CB PRO A 6 -0.283 2.235 -2.185 1.00 0.00 C ATOM 92 CG PRO A 6 0.852 1.451 -1.480 1.00 0.00 C ATOM 93 CD PRO A 6 0.365 1.093 -0.068 1.00 0.00 C ATOM 0 HA PRO A 6 -1.863 3.280 -1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.553 1.754 -3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.044 3.246 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.098 0.549 -2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.759 2.053 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.354 0.014 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.018 1.517 0.695 1.00 0.00 H new ATOM 101 N VAL A 7 -3.787 2.073 -1.995 1.00 0.00 N ATOM 102 CA VAL A 7 -4.946 1.337 -2.581 1.00 0.00 C ATOM 103 C VAL A 7 -5.211 1.852 -3.995 1.00 0.00 C ATOM 104 O VAL A 7 -5.127 3.034 -4.261 1.00 0.00 O ATOM 105 CB VAL A 7 -6.189 1.548 -1.715 1.00 0.00 C ATOM 106 CG1 VAL A 7 -5.907 1.044 -0.301 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.540 3.038 -1.666 1.00 0.00 C ATOM 0 H VAL A 7 -3.967 3.048 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.715 0.272 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.027 0.997 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.790 1.192 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.661 -0.017 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.068 1.597 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.426 3.183 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.705 3.595 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.739 3.398 -2.675 1.00 0.00 H new ATOM 117 N ASP A 8 -5.528 0.979 -4.909 1.00 0.00 N ATOM 118 CA ASP A 8 -5.794 1.443 -6.297 1.00 0.00 C ATOM 119 C ASP A 8 -7.016 2.366 -6.286 1.00 0.00 C ATOM 120 O ASP A 8 -7.452 2.814 -5.244 1.00 0.00 O ATOM 121 CB ASP A 8 -6.034 0.234 -7.213 1.00 0.00 C ATOM 122 CG ASP A 8 -7.449 -0.308 -7.015 1.00 0.00 C ATOM 123 OD1 ASP A 8 -7.962 -0.182 -5.918 1.00 0.00 O ATOM 124 OD2 ASP A 8 -7.997 -0.838 -7.967 1.00 0.00 O ATOM 0 H ASP A 8 -5.614 -0.026 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.934 1.994 -6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.890 0.524 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.305 -0.546 -6.996 1.00 0.00 H new ATOM 129 N SER A 9 -7.563 2.672 -7.430 1.00 0.00 N ATOM 130 CA SER A 9 -8.745 3.583 -7.473 1.00 0.00 C ATOM 131 C SER A 9 -9.944 2.931 -6.777 1.00 0.00 C ATOM 132 O SER A 9 -10.832 3.604 -6.292 1.00 0.00 O ATOM 133 CB SER A 9 -9.106 3.876 -8.930 1.00 0.00 C ATOM 134 OG SER A 9 -9.535 2.675 -9.557 1.00 0.00 O ATOM 0 H SER A 9 -7.244 2.332 -8.337 1.00 0.00 H new ATOM 0 HA SER A 9 -8.496 4.510 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.895 4.627 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.243 4.286 -9.455 1.00 0.00 H new ATOM 0 HG SER A 9 -9.769 2.859 -10.491 1.00 0.00 H new ATOM 140 N GLY A 10 -9.987 1.629 -6.736 1.00 0.00 N ATOM 141 CA GLY A 10 -11.139 0.940 -6.087 1.00 0.00 C ATOM 142 C GLY A 10 -10.911 0.810 -4.576 1.00 0.00 C ATOM 143 O GLY A 10 -11.740 0.273 -3.868 1.00 0.00 O ATOM 0 H GLY A 10 -9.274 1.011 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.056 1.499 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.272 -0.049 -6.526 1.00 0.00 H new ATOM 147 N ASN A 11 -9.800 1.285 -4.071 1.00 0.00 N ATOM 148 CA ASN A 11 -9.543 1.169 -2.606 1.00 0.00 C ATOM 149 C ASN A 11 -9.103 -0.258 -2.292 1.00 0.00 C ATOM 150 O ASN A 11 -9.543 -0.864 -1.336 1.00 0.00 O ATOM 151 CB ASN A 11 -10.821 1.497 -1.826 1.00 0.00 C ATOM 152 CG ASN A 11 -10.484 2.382 -0.625 1.00 0.00 C ATOM 153 OD1 ASN A 11 -9.330 2.654 -0.361 1.00 0.00 O ATOM 154 ND2 ASN A 11 -11.451 2.847 0.118 1.00 0.00 N ATOM 0 H ASN A 11 -9.065 1.745 -4.608 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.761 1.870 -2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.533 2.006 -2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.298 0.577 -1.489 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.238 3.439 0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.420 2.618 -0.104 1.00 0.00 H new ATOM 161 N CYS A 12 -8.233 -0.792 -3.097 1.00 0.00 N ATOM 162 CA CYS A 12 -7.743 -2.177 -2.867 1.00 0.00 C ATOM 163 C CYS A 12 -6.269 -2.118 -2.470 1.00 0.00 C ATOM 164 O CYS A 12 -5.408 -1.842 -3.283 1.00 0.00 O ATOM 165 CB CYS A 12 -7.891 -2.993 -4.151 1.00 0.00 C ATOM 166 SG CYS A 12 -9.377 -4.019 -4.042 1.00 0.00 S ATOM 0 H CYS A 12 -7.836 -0.325 -3.912 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.324 -2.648 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.957 -2.328 -5.012 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.012 -3.621 -4.300 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.507 -4.712 -5.134 1.00 0.00 H new ATOM 171 N LYS A 13 -5.975 -2.365 -1.225 1.00 0.00 N ATOM 172 CA LYS A 13 -4.559 -2.316 -0.769 1.00 0.00 C ATOM 173 C LYS A 13 -3.735 -3.360 -1.526 1.00 0.00 C ATOM 174 O LYS A 13 -3.997 -4.544 -1.450 1.00 0.00 O ATOM 175 CB LYS A 13 -4.505 -2.613 0.730 1.00 0.00 C ATOM 176 CG LYS A 13 -5.149 -3.976 1.002 1.00 0.00 C ATOM 177 CD LYS A 13 -5.263 -4.199 2.512 1.00 0.00 C ATOM 178 CE LYS A 13 -6.714 -4.015 2.960 1.00 0.00 C ATOM 179 NZ LYS A 13 -6.741 -3.678 4.412 1.00 0.00 N ATOM 0 H LYS A 13 -6.656 -2.599 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.148 -1.326 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.471 -2.612 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.028 -1.834 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.136 -4.021 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.551 -4.768 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.919 -5.202 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.619 -3.497 3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.188 -3.222 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.282 -4.927 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.726 -3.552 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.304 -4.449 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.212 -2.797 4.574 1.00 0.00 H new ATOM 193 N TYR A 14 -2.737 -2.934 -2.254 1.00 0.00 N ATOM 194 CA TYR A 14 -1.900 -3.911 -3.004 1.00 0.00 C ATOM 195 C TYR A 14 -1.365 -4.955 -2.026 1.00 0.00 C ATOM 196 O TYR A 14 -0.536 -4.667 -1.185 1.00 0.00 O ATOM 197 CB TYR A 14 -0.733 -3.188 -3.678 1.00 0.00 C ATOM 198 CG TYR A 14 -1.269 -2.213 -4.700 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.337 -2.581 -5.529 1.00 0.00 C ATOM 200 CD2 TYR A 14 -0.698 -0.940 -4.819 1.00 0.00 C ATOM 201 CE1 TYR A 14 -2.832 -1.676 -6.477 1.00 0.00 C ATOM 202 CE2 TYR A 14 -1.193 -0.037 -5.766 1.00 0.00 C ATOM 203 CZ TYR A 14 -2.259 -0.404 -6.595 1.00 0.00 C ATOM 204 OH TYR A 14 -2.745 0.488 -7.529 1.00 0.00 O ATOM 0 H TYR A 14 -2.467 -1.956 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.502 -4.397 -3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.139 -2.660 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.073 -3.910 -4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.779 -3.562 -5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.125 -0.655 -4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.655 -1.959 -7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.752 0.945 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.236 1.324 -7.478 1.00 0.00 H new ATOM 214 N GLU A 15 -1.842 -6.162 -2.121 1.00 0.00 N ATOM 215 CA GLU A 15 -1.377 -7.224 -1.190 1.00 0.00 C ATOM 216 C GLU A 15 -0.062 -7.820 -1.696 1.00 0.00 C ATOM 217 O GLU A 15 0.181 -7.896 -2.884 1.00 0.00 O ATOM 218 CB GLU A 15 -2.436 -8.319 -1.121 1.00 0.00 C ATOM 219 CG GLU A 15 -2.449 -8.937 0.277 1.00 0.00 C ATOM 220 CD GLU A 15 -3.480 -10.066 0.323 1.00 0.00 C ATOM 221 OE1 GLU A 15 -4.634 -9.801 0.029 1.00 0.00 O ATOM 222 OE2 GLU A 15 -3.098 -11.178 0.649 1.00 0.00 O ATOM 0 H GLU A 15 -2.537 -6.460 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.217 -6.797 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.417 -7.905 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.228 -9.087 -1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.460 -9.322 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.691 -8.178 1.020 1.00 0.00 H new ATOM 229 N CYS A 16 0.785 -8.248 -0.802 1.00 0.00 N ATOM 230 CA CYS A 16 2.079 -8.842 -1.228 1.00 0.00 C ATOM 231 C CYS A 16 2.624 -9.718 -0.098 1.00 0.00 C ATOM 232 O CYS A 16 2.260 -9.568 1.052 1.00 0.00 O ATOM 233 CB CYS A 16 3.058 -7.704 -1.599 1.00 0.00 C ATOM 234 SG CYS A 16 4.527 -7.679 -0.526 1.00 0.00 S ATOM 0 H CYS A 16 0.635 -8.211 0.206 1.00 0.00 H new ATOM 0 HA CYS A 16 1.946 -9.472 -2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.371 -7.821 -2.637 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.542 -6.746 -1.527 1.00 0.00 H new ATOM 239 N LEU A 17 3.504 -10.622 -0.419 1.00 0.00 N ATOM 240 CA LEU A 17 4.088 -11.500 0.628 1.00 0.00 C ATOM 241 C LEU A 17 5.611 -11.510 0.474 1.00 0.00 C ATOM 242 O LEU A 17 6.309 -12.263 1.122 1.00 0.00 O ATOM 243 CB LEU A 17 3.537 -12.916 0.472 1.00 0.00 C ATOM 244 CG LEU A 17 2.034 -12.852 0.196 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.548 -14.218 -0.290 1.00 0.00 C ATOM 246 CD2 LEU A 17 1.294 -12.476 1.481 1.00 0.00 C ATOM 0 H LEU A 17 3.845 -10.791 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 17 3.825 -11.126 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.046 -13.428 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.727 -13.493 1.377 1.00 0.00 H new ATOM 0 HG LEU A 17 1.837 -12.101 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.477 -14.174 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.075 -14.487 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.745 -14.968 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.223 -12.430 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.491 -13.226 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.641 -11.503 1.829 1.00 0.00 H new ATOM 258 N LYS A 18 6.131 -10.669 -0.381 1.00 0.00 N ATOM 259 CA LYS A 18 7.605 -10.615 -0.578 1.00 0.00 C ATOM 260 C LYS A 18 8.068 -9.159 -0.470 1.00 0.00 C ATOM 261 O LYS A 18 7.663 -8.310 -1.238 1.00 0.00 O ATOM 262 CB LYS A 18 7.954 -11.177 -1.959 1.00 0.00 C ATOM 263 CG LYS A 18 7.561 -12.656 -2.013 1.00 0.00 C ATOM 264 CD LYS A 18 7.100 -13.016 -3.427 1.00 0.00 C ATOM 265 CE LYS A 18 5.679 -12.497 -3.648 1.00 0.00 C ATOM 266 NZ LYS A 18 4.707 -13.606 -3.433 1.00 0.00 N ATOM 0 H LYS A 18 5.594 -10.016 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 18 8.107 -11.212 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.429 -10.620 -2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.021 -11.064 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.409 -13.278 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.763 -12.857 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.776 -12.581 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.130 -14.097 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.469 -11.677 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.578 -12.101 -4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.740 -13.254 -3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.904 -14.375 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.798 -13.964 -2.461 1.00 0.00 H new ATOM 280 N ASP A 19 8.900 -8.863 0.494 1.00 0.00 N ATOM 281 CA ASP A 19 9.380 -7.460 0.675 1.00 0.00 C ATOM 282 C ASP A 19 9.847 -6.877 -0.661 1.00 0.00 C ATOM 283 O ASP A 19 9.882 -5.676 -0.841 1.00 0.00 O ATOM 284 CB ASP A 19 10.543 -7.446 1.667 1.00 0.00 C ATOM 285 CG ASP A 19 10.242 -6.453 2.792 1.00 0.00 C ATOM 286 OD1 ASP A 19 9.423 -6.777 3.637 1.00 0.00 O ATOM 287 OD2 ASP A 19 10.834 -5.386 2.788 1.00 0.00 O ATOM 0 H ASP A 19 9.269 -9.535 1.167 1.00 0.00 H new ATOM 0 HA ASP A 19 8.558 -6.854 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.696 -8.444 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.466 -7.167 1.158 1.00 0.00 H new ATOM 292 N ASP A 20 10.208 -7.709 -1.598 1.00 0.00 N ATOM 293 CA ASP A 20 10.672 -7.186 -2.914 1.00 0.00 C ATOM 294 C ASP A 20 9.473 -6.590 -3.667 1.00 0.00 C ATOM 295 O ASP A 20 9.457 -5.419 -3.988 1.00 0.00 O ATOM 296 CB ASP A 20 11.332 -8.342 -3.699 1.00 0.00 C ATOM 297 CG ASP A 20 10.607 -8.611 -5.026 1.00 0.00 C ATOM 298 OD1 ASP A 20 10.878 -7.904 -5.982 1.00 0.00 O ATOM 299 OD2 ASP A 20 9.797 -9.522 -5.060 1.00 0.00 O ATOM 0 H ASP A 20 10.202 -8.725 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 20 11.411 -6.395 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.376 -8.099 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.325 -9.246 -3.090 1.00 0.00 H new ATOM 304 N TYR A 21 8.468 -7.378 -3.942 1.00 0.00 N ATOM 305 CA TYR A 21 7.280 -6.833 -4.660 1.00 0.00 C ATOM 306 C TYR A 21 6.823 -5.565 -3.944 1.00 0.00 C ATOM 307 O TYR A 21 6.250 -4.671 -4.536 1.00 0.00 O ATOM 308 CB TYR A 21 6.151 -7.865 -4.643 1.00 0.00 C ATOM 309 CG TYR A 21 4.872 -7.228 -5.132 1.00 0.00 C ATOM 310 CD1 TYR A 21 4.138 -6.387 -4.286 1.00 0.00 C ATOM 311 CD2 TYR A 21 4.416 -7.482 -6.431 1.00 0.00 C ATOM 312 CE1 TYR A 21 2.949 -5.801 -4.740 1.00 0.00 C ATOM 313 CE2 TYR A 21 3.227 -6.896 -6.884 1.00 0.00 C ATOM 314 CZ TYR A 21 2.494 -6.056 -6.039 1.00 0.00 C ATOM 315 OH TYR A 21 1.323 -5.480 -6.486 1.00 0.00 O ATOM 0 H TYR A 21 8.418 -8.368 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 21 7.539 -6.608 -5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.411 -8.713 -5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.013 -8.251 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.489 -6.190 -3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.981 -8.130 -7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.383 -5.152 -4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.876 -7.093 -7.886 1.00 0.00 H new ATOM 0 HH TYR A 21 1.152 -5.760 -7.410 1.00 0.00 H new ATOM 325 N CYS A 22 7.084 -5.485 -2.671 1.00 0.00 N ATOM 326 CA CYS A 22 6.683 -4.283 -1.896 1.00 0.00 C ATOM 327 C CYS A 22 7.593 -3.114 -2.242 1.00 0.00 C ATOM 328 O CYS A 22 7.139 -2.011 -2.418 1.00 0.00 O ATOM 329 CB CYS A 22 6.789 -4.586 -0.407 1.00 0.00 C ATOM 330 SG CYS A 22 5.198 -4.340 0.431 1.00 0.00 S ATOM 0 H CYS A 22 7.562 -6.207 -2.131 1.00 0.00 H new ATOM 0 HA CYS A 22 5.655 -4.020 -2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.122 -5.614 -0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.544 -3.942 0.045 1.00 0.00 H new ATOM 335 N ASN A 23 8.866 -3.340 -2.355 1.00 0.00 N ATOM 336 CA ASN A 23 9.780 -2.225 -2.706 1.00 0.00 C ATOM 337 C ASN A 23 9.442 -1.765 -4.108 1.00 0.00 C ATOM 338 O ASN A 23 9.062 -0.644 -4.332 1.00 0.00 O ATOM 339 CB ASN A 23 11.217 -2.737 -2.690 1.00 0.00 C ATOM 340 CG ASN A 23 12.145 -1.696 -3.312 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.338 -0.628 -2.766 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.733 -1.970 -4.440 1.00 0.00 N ATOM 0 H ASN A 23 9.314 -4.247 -2.220 1.00 0.00 H new ATOM 0 HA ASN A 23 9.673 -1.406 -1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.526 -2.947 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.285 -3.674 -3.242 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.358 -1.287 -4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.569 -2.868 -4.896 1.00 0.00 H new ATOM 349 N ASP A 24 9.583 -2.643 -5.046 1.00 0.00 N ATOM 350 CA ASP A 24 9.273 -2.297 -6.461 1.00 0.00 C ATOM 351 C ASP A 24 7.898 -1.625 -6.542 1.00 0.00 C ATOM 352 O ASP A 24 7.783 -0.463 -6.870 1.00 0.00 O ATOM 353 CB ASP A 24 9.259 -3.582 -7.283 1.00 0.00 C ATOM 354 CG ASP A 24 9.370 -3.242 -8.770 1.00 0.00 C ATOM 355 OD1 ASP A 24 8.405 -2.731 -9.314 1.00 0.00 O ATOM 356 OD2 ASP A 24 10.419 -3.497 -9.338 1.00 0.00 O ATOM 0 H ASP A 24 9.904 -3.600 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 24 10.026 -1.611 -6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.086 -4.226 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.340 -4.136 -7.094 1.00 0.00 H new ATOM 361 N LEU A 25 6.856 -2.352 -6.252 1.00 0.00 N ATOM 362 CA LEU A 25 5.487 -1.759 -6.311 1.00 0.00 C ATOM 363 C LEU A 25 5.497 -0.403 -5.594 1.00 0.00 C ATOM 364 O LEU A 25 4.854 0.544 -6.008 1.00 0.00 O ATOM 365 CB LEU A 25 4.500 -2.711 -5.616 1.00 0.00 C ATOM 366 CG LEU A 25 3.145 -2.025 -5.393 1.00 0.00 C ATOM 367 CD1 LEU A 25 2.180 -2.408 -6.520 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.567 -2.490 -4.053 1.00 0.00 C ATOM 0 H LEU A 25 6.891 -3.333 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 25 5.183 -1.616 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.364 -3.607 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.911 -3.033 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 25 3.280 -0.943 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.219 -1.919 -6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.593 -2.089 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.040 -3.489 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.604 -2.008 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.433 -3.572 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.252 -2.222 -3.249 1.00 0.00 H new ATOM 380 N CYS A 26 6.221 -0.315 -4.512 1.00 0.00 N ATOM 381 CA CYS A 26 6.292 0.940 -3.735 1.00 0.00 C ATOM 382 C CYS A 26 6.935 2.053 -4.571 1.00 0.00 C ATOM 383 O CYS A 26 6.517 3.190 -4.530 1.00 0.00 O ATOM 384 CB CYS A 26 7.131 0.658 -2.486 1.00 0.00 C ATOM 385 SG CYS A 26 6.065 0.113 -1.116 1.00 0.00 S ATOM 0 H CYS A 26 6.776 -1.081 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 26 5.292 1.274 -3.458 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.874 -0.109 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.676 1.556 -2.196 1.00 0.00 H new ATOM 390 N LEU A 27 7.945 1.734 -5.327 1.00 0.00 N ATOM 391 CA LEU A 27 8.618 2.757 -6.163 1.00 0.00 C ATOM 392 C LEU A 27 7.675 3.203 -7.279 1.00 0.00 C ATOM 393 O LEU A 27 7.672 4.349 -7.684 1.00 0.00 O ATOM 394 CB LEU A 27 9.885 2.146 -6.771 1.00 0.00 C ATOM 395 CG LEU A 27 10.783 1.604 -5.656 1.00 0.00 C ATOM 396 CD1 LEU A 27 12.185 1.341 -6.208 1.00 0.00 C ATOM 397 CD2 LEU A 27 10.866 2.626 -4.520 1.00 0.00 C ATOM 0 H LEU A 27 8.336 0.795 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 27 8.883 3.620 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.619 1.344 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.421 2.898 -7.350 1.00 0.00 H new ATOM 0 HG LEU A 27 10.362 0.673 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.823 0.955 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.127 0.609 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.605 2.271 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.506 2.238 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.284 3.559 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.868 2.810 -4.123 1.00 0.00 H new ATOM 409 N GLU A 28 6.875 2.303 -7.783 1.00 0.00 N ATOM 410 CA GLU A 28 5.934 2.669 -8.868 1.00 0.00 C ATOM 411 C GLU A 28 4.930 3.683 -8.333 1.00 0.00 C ATOM 412 O GLU A 28 4.478 4.567 -9.034 1.00 0.00 O ATOM 413 CB GLU A 28 5.199 1.417 -9.354 1.00 0.00 C ATOM 414 CG GLU A 28 5.424 1.246 -10.858 1.00 0.00 C ATOM 415 CD GLU A 28 4.085 0.982 -11.553 1.00 0.00 C ATOM 416 OE1 GLU A 28 3.106 0.778 -10.856 1.00 0.00 O ATOM 417 OE2 GLU A 28 4.063 0.991 -12.773 1.00 0.00 O ATOM 0 H GLU A 28 6.836 1.328 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 28 6.483 3.104 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.561 0.539 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.133 1.503 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.888 2.142 -11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.109 0.418 -11.041 1.00 0.00 H new ATOM 424 N ARG A 29 4.582 3.551 -7.091 1.00 0.00 N ATOM 425 CA ARG A 29 3.608 4.488 -6.481 1.00 0.00 C ATOM 426 C ARG A 29 4.287 5.823 -6.168 1.00 0.00 C ATOM 427 O ARG A 29 3.628 6.781 -5.835 1.00 0.00 O ATOM 428 CB ARG A 29 3.062 3.882 -5.187 1.00 0.00 C ATOM 429 CG ARG A 29 1.535 3.973 -5.181 1.00 0.00 C ATOM 430 CD ARG A 29 0.953 2.621 -5.584 1.00 0.00 C ATOM 431 NE ARG A 29 1.382 2.298 -6.981 1.00 0.00 N ATOM 432 CZ ARG A 29 1.139 3.116 -7.968 1.00 0.00 C ATOM 433 NH1 ARG A 29 0.320 4.119 -7.808 1.00 0.00 N ATOM 434 NH2 ARG A 29 1.669 2.892 -9.139 1.00 0.00 N ATOM 0 H ARG A 29 4.934 2.827 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 29 2.792 4.659 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.375 2.841 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.471 4.410 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.179 4.255 -4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.202 4.747 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.294 1.846 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.135 2.647 -5.521 1.00 0.00 H new ATOM 0 HE ARG A 29 1.873 1.423 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.135 4.267 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.135 4.755 -8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.270 2.080 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.482 3.529 -9.914 1.00 0.00 H new ATOM 448 N LYS A 30 5.598 5.867 -6.270 1.00 0.00 N ATOM 449 CA LYS A 30 6.388 7.115 -5.981 1.00 0.00 C ATOM 450 C LYS A 30 6.990 7.025 -4.576 1.00 0.00 C ATOM 451 O LYS A 30 7.656 7.930 -4.116 1.00 0.00 O ATOM 452 CB LYS A 30 5.510 8.380 -6.102 1.00 0.00 C ATOM 453 CG LYS A 30 4.829 8.715 -4.760 1.00 0.00 C ATOM 454 CD LYS A 30 5.521 9.915 -4.102 1.00 0.00 C ATOM 455 CE LYS A 30 5.502 11.109 -5.059 1.00 0.00 C ATOM 456 NZ LYS A 30 6.825 11.232 -5.733 1.00 0.00 N ATOM 0 H LYS A 30 6.169 5.069 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 30 7.186 7.194 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.123 9.222 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.752 8.228 -6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.775 8.938 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.872 7.852 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.015 10.174 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.549 9.659 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.715 10.980 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.276 12.024 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.296 12.104 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.416 10.412 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.688 11.266 -6.763 1.00 0.00 H new ATOM 470 N ALA A 31 6.758 5.943 -3.889 1.00 0.00 N ATOM 471 CA ALA A 31 7.309 5.805 -2.515 1.00 0.00 C ATOM 472 C ALA A 31 8.818 5.585 -2.575 1.00 0.00 C ATOM 473 O ALA A 31 9.342 5.016 -3.512 1.00 0.00 O ATOM 474 CB ALA A 31 6.656 4.612 -1.821 1.00 0.00 C ATOM 0 H ALA A 31 6.211 5.149 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 31 7.100 6.718 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.060 4.511 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.579 4.768 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.862 3.704 -2.387 1.00 0.00 H new ATOM 480 N ASP A 32 9.515 6.029 -1.571 1.00 0.00 N ATOM 481 CA ASP A 32 10.982 5.853 -1.534 1.00 0.00 C ATOM 482 C ASP A 32 11.298 4.375 -1.342 1.00 0.00 C ATOM 483 O ASP A 32 12.105 3.796 -2.042 1.00 0.00 O ATOM 484 CB ASP A 32 11.531 6.641 -0.351 1.00 0.00 C ATOM 485 CG ASP A 32 12.983 7.043 -0.621 1.00 0.00 C ATOM 486 OD1 ASP A 32 13.781 6.161 -0.888 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.270 8.227 -0.554 1.00 0.00 O ATOM 0 H ASP A 32 9.121 6.513 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 32 11.431 6.206 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.924 7.530 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.474 6.039 0.556 1.00 0.00 H new ATOM 492 N LYS A 33 10.658 3.767 -0.388 1.00 0.00 N ATOM 493 CA LYS A 33 10.894 2.322 -0.117 1.00 0.00 C ATOM 494 C LYS A 33 9.688 1.760 0.633 1.00 0.00 C ATOM 495 O LYS A 33 8.863 2.500 1.128 1.00 0.00 O ATOM 496 CB LYS A 33 12.152 2.156 0.738 1.00 0.00 C ATOM 497 CG LYS A 33 12.186 3.230 1.829 1.00 0.00 C ATOM 498 CD LYS A 33 11.833 2.600 3.178 1.00 0.00 C ATOM 499 CE LYS A 33 12.989 2.809 4.156 1.00 0.00 C ATOM 500 NZ LYS A 33 12.954 1.751 5.205 1.00 0.00 N ATOM 0 H LYS A 33 9.974 4.212 0.223 1.00 0.00 H new ATOM 0 HA LYS A 33 11.030 1.787 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.166 1.165 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.041 2.233 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.176 3.684 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.481 4.026 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.922 3.049 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.636 1.535 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.940 2.776 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.916 3.794 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.741 1.895 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.052 1.803 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.044 0.816 4.758 1.00 0.00 H new ATOM 514 N GLY A 34 9.565 0.463 0.723 1.00 0.00 N ATOM 515 CA GLY A 34 8.394 -0.103 1.444 1.00 0.00 C ATOM 516 C GLY A 34 8.549 -1.607 1.638 1.00 0.00 C ATOM 517 O GLY A 34 9.033 -2.312 0.776 1.00 0.00 O ATOM 0 H GLY A 34 10.216 -0.219 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.289 0.384 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.482 0.103 0.883 1.00 0.00 H new ATOM 521 N TYR A 35 8.107 -2.104 2.760 1.00 0.00 N ATOM 522 CA TYR A 35 8.192 -3.566 3.007 1.00 0.00 C ATOM 523 C TYR A 35 6.788 -4.128 3.020 1.00 0.00 C ATOM 524 O TYR A 35 5.825 -3.408 2.891 1.00 0.00 O ATOM 525 CB TYR A 35 8.826 -3.859 4.364 1.00 0.00 C ATOM 526 CG TYR A 35 8.087 -3.109 5.450 1.00 0.00 C ATOM 527 CD1 TYR A 35 6.780 -3.483 5.797 1.00 0.00 C ATOM 528 CD2 TYR A 35 8.710 -2.049 6.120 1.00 0.00 C ATOM 529 CE1 TYR A 35 6.100 -2.796 6.809 1.00 0.00 C ATOM 530 CE2 TYR A 35 8.030 -1.365 7.134 1.00 0.00 C ATOM 531 CZ TYR A 35 6.724 -1.738 7.478 1.00 0.00 C ATOM 532 OH TYR A 35 6.055 -1.064 8.480 1.00 0.00 O ATOM 0 H TYR A 35 7.691 -1.559 3.515 1.00 0.00 H new ATOM 0 HA TYR A 35 8.802 -4.016 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.797 -4.930 4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.875 -3.565 4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.298 -4.302 5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.716 -1.759 5.854 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.093 -3.083 7.074 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.512 -0.549 7.652 1.00 0.00 H new ATOM 0 HH TYR A 35 6.688 -0.506 8.978 1.00 0.00 H new ATOM 542 N CYS A 36 6.666 -5.401 3.209 1.00 0.00 N ATOM 543 CA CYS A 36 5.308 -6.011 3.259 1.00 0.00 C ATOM 544 C CYS A 36 4.995 -6.392 4.704 1.00 0.00 C ATOM 545 O CYS A 36 5.725 -7.132 5.331 1.00 0.00 O ATOM 546 CB CYS A 36 5.260 -7.253 2.367 1.00 0.00 C ATOM 547 SG CYS A 36 3.809 -7.169 1.290 1.00 0.00 S ATOM 0 H CYS A 36 7.442 -6.051 3.332 1.00 0.00 H new ATOM 0 HA CYS A 36 4.568 -5.297 2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.168 -7.318 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.219 -8.153 2.981 1.00 0.00 H new ATOM 552 N TYR A 37 3.924 -5.881 5.243 1.00 0.00 N ATOM 553 CA TYR A 37 3.578 -6.208 6.656 1.00 0.00 C ATOM 554 C TYR A 37 2.602 -7.390 6.679 1.00 0.00 C ATOM 555 O TYR A 37 1.739 -7.506 5.831 1.00 0.00 O ATOM 556 CB TYR A 37 2.950 -4.975 7.317 1.00 0.00 C ATOM 557 CG TYR A 37 3.081 -5.082 8.820 1.00 0.00 C ATOM 558 CD1 TYR A 37 2.099 -5.746 9.562 1.00 0.00 C ATOM 559 CD2 TYR A 37 4.185 -4.517 9.470 1.00 0.00 C ATOM 560 CE1 TYR A 37 2.217 -5.846 10.953 1.00 0.00 C ATOM 561 CE2 TYR A 37 4.305 -4.617 10.863 1.00 0.00 C ATOM 562 CZ TYR A 37 3.321 -5.282 11.604 1.00 0.00 C ATOM 563 OH TYR A 37 3.437 -5.382 12.975 1.00 0.00 O ATOM 0 H TYR A 37 3.275 -5.253 4.769 1.00 0.00 H new ATOM 0 HA TYR A 37 4.475 -6.486 7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.443 -4.070 6.963 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.899 -4.896 7.038 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.248 -6.183 9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.944 -4.004 8.898 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.457 -6.358 11.524 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.156 -4.181 11.364 1.00 0.00 H new ATOM 0 HH TYR A 37 4.261 -4.939 13.267 1.00 0.00 H new ATOM 573 N TRP A 38 2.743 -8.286 7.626 1.00 0.00 N ATOM 574 CA TRP A 38 1.829 -9.468 7.664 1.00 0.00 C ATOM 575 C TRP A 38 0.654 -9.227 8.619 1.00 0.00 C ATOM 576 O TRP A 38 -0.469 -9.580 8.306 1.00 0.00 O ATOM 577 CB TRP A 38 2.605 -10.715 8.094 1.00 0.00 C ATOM 578 CG TRP A 38 2.595 -11.699 6.967 1.00 0.00 C ATOM 579 CD1 TRP A 38 3.588 -11.854 6.061 1.00 0.00 C ATOM 580 CD2 TRP A 38 1.559 -12.659 6.604 1.00 0.00 C ATOM 581 NE1 TRP A 38 3.228 -12.847 5.166 1.00 0.00 N ATOM 582 CE2 TRP A 38 1.985 -13.373 5.460 1.00 0.00 C ATOM 583 CE3 TRP A 38 0.304 -12.976 7.153 1.00 0.00 C ATOM 584 CZ2 TRP A 38 1.195 -14.365 4.878 1.00 0.00 C ATOM 585 CZ3 TRP A 38 -0.495 -13.973 6.572 1.00 0.00 C ATOM 586 CH2 TRP A 38 -0.051 -14.665 5.436 1.00 0.00 C ATOM 0 H TRP A 38 3.444 -8.250 8.366 1.00 0.00 H new ATOM 0 HA TRP A 38 1.427 -9.620 6.662 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.630 -10.451 8.356 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.152 -11.154 8.983 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.511 -11.294 6.040 1.00 0.00 H new ATOM 0 HE1 TRP A 38 3.809 -13.153 4.385 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.048 -12.449 8.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.543 -14.896 4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.457 -14.209 7.002 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.672 -15.430 4.992 1.00 0.00 H new ATOM 642 N SER A 42 -0.477 -6.915 3.530 1.00 0.00 N ATOM 643 CA SER A 42 -0.609 -5.828 2.530 1.00 0.00 C ATOM 644 C SER A 42 0.767 -5.209 2.302 1.00 0.00 C ATOM 645 O SER A 42 1.729 -5.548 2.970 1.00 0.00 O ATOM 646 CB SER A 42 -1.572 -4.766 3.052 1.00 0.00 C ATOM 647 OG SER A 42 -2.840 -4.953 2.442 1.00 0.00 O ATOM 0 HA SER A 42 -0.998 -6.227 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.661 -4.839 4.136 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.190 -3.770 2.830 1.00 0.00 H new ATOM 0 HG SER A 42 -3.071 -5.905 2.452 1.00 0.00 H new ATOM 653 N CYS A 43 0.882 -4.319 1.361 1.00 0.00 N ATOM 654 CA CYS A 43 2.210 -3.707 1.094 1.00 0.00 C ATOM 655 C CYS A 43 2.314 -2.337 1.767 1.00 0.00 C ATOM 656 O CYS A 43 1.547 -1.435 1.494 1.00 0.00 O ATOM 657 CB CYS A 43 2.411 -3.564 -0.415 1.00 0.00 C ATOM 658 SG CYS A 43 3.750 -4.662 -0.941 1.00 0.00 S ATOM 0 H CYS A 43 0.120 -3.990 0.768 1.00 0.00 H new ATOM 0 HA CYS A 43 2.986 -4.353 1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.490 -3.814 -0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.651 -2.531 -0.666 1.00 0.00 H new ATOM 663 N TYR A 44 3.267 -2.184 2.647 1.00 0.00 N ATOM 664 CA TYR A 44 3.446 -0.884 3.354 1.00 0.00 C ATOM 665 C TYR A 44 4.561 -0.071 2.684 1.00 0.00 C ATOM 666 O TYR A 44 5.723 -0.429 2.743 1.00 0.00 O ATOM 667 CB TYR A 44 3.820 -1.145 4.814 1.00 0.00 C ATOM 668 CG TYR A 44 3.539 0.097 5.618 1.00 0.00 C ATOM 669 CD1 TYR A 44 2.216 0.475 5.841 1.00 0.00 C ATOM 670 CD2 TYR A 44 4.587 0.871 6.135 1.00 0.00 C ATOM 671 CE1 TYR A 44 1.931 1.620 6.579 1.00 0.00 C ATOM 672 CE2 TYR A 44 4.304 2.021 6.876 1.00 0.00 C ATOM 673 CZ TYR A 44 2.973 2.398 7.100 1.00 0.00 C ATOM 674 OH TYR A 44 2.690 3.534 7.832 1.00 0.00 O ATOM 0 H TYR A 44 3.934 -2.910 2.908 1.00 0.00 H new ATOM 0 HA TYR A 44 2.513 -0.322 3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.247 -1.985 5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.873 -1.414 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.410 -0.122 5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.612 0.579 5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.905 1.909 6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.110 2.619 7.276 1.00 0.00 H new ATOM 0 HH TYR A 44 3.493 3.820 8.316 1.00 0.00 H new ATOM 684 N CYS A 45 4.216 1.026 2.056 1.00 0.00 N ATOM 685 CA CYS A 45 5.258 1.865 1.390 1.00 0.00 C ATOM 686 C CYS A 45 5.729 2.972 2.334 1.00 0.00 C ATOM 687 O CYS A 45 5.215 3.152 3.423 1.00 0.00 O ATOM 688 CB CYS A 45 4.688 2.523 0.129 1.00 0.00 C ATOM 689 SG CYS A 45 4.418 1.286 -1.167 1.00 0.00 S ATOM 0 H CYS A 45 3.261 1.375 1.976 1.00 0.00 H new ATOM 0 HA CYS A 45 6.093 1.216 1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.748 3.022 0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.374 3.290 -0.230 1.00 0.00 H new ATOM 694 N TYR A 46 6.697 3.720 1.891 1.00 0.00 N ATOM 695 CA TYR A 46 7.247 4.848 2.695 1.00 0.00 C ATOM 696 C TYR A 46 7.625 5.964 1.719 1.00 0.00 C ATOM 697 O TYR A 46 8.694 5.953 1.138 1.00 0.00 O ATOM 698 CB TYR A 46 8.503 4.385 3.442 1.00 0.00 C ATOM 699 CG TYR A 46 8.126 3.540 4.639 1.00 0.00 C ATOM 700 CD1 TYR A 46 7.829 4.146 5.863 1.00 0.00 C ATOM 701 CD2 TYR A 46 8.075 2.151 4.522 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.478 3.365 6.970 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.728 1.366 5.626 1.00 0.00 C ATOM 704 CZ TYR A 46 7.427 1.972 6.852 1.00 0.00 C ATOM 705 OH TYR A 46 7.075 1.195 7.940 1.00 0.00 O ATOM 0 H TYR A 46 7.142 3.595 0.982 1.00 0.00 H new ATOM 0 HA TYR A 46 6.513 5.195 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.142 3.811 2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.080 5.251 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.871 5.221 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.304 1.681 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.247 3.837 7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.692 0.291 5.533 1.00 0.00 H new ATOM 0 HH TYR A 46 6.714 0.339 7.628 1.00 0.00 H new ATOM 715 N GLY A 47 6.753 6.913 1.518 1.00 0.00 N ATOM 716 CA GLY A 47 7.056 8.019 0.559 1.00 0.00 C ATOM 717 C GLY A 47 5.874 8.218 -0.398 1.00 0.00 C ATOM 718 O GLY A 47 6.009 8.822 -1.444 1.00 0.00 O ATOM 0 H GLY A 47 5.843 6.973 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.253 8.942 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.958 7.785 -0.007 1.00 0.00 H new ATOM 722 N LEU A 48 4.717 7.722 -0.050 1.00 0.00 N ATOM 723 CA LEU A 48 3.533 7.889 -0.936 1.00 0.00 C ATOM 724 C LEU A 48 3.142 9.368 -0.977 1.00 0.00 C ATOM 725 O LEU A 48 3.556 10.137 -0.133 1.00 0.00 O ATOM 726 CB LEU A 48 2.370 7.072 -0.369 1.00 0.00 C ATOM 727 CG LEU A 48 2.736 5.589 -0.383 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.961 4.868 0.715 1.00 0.00 C ATOM 729 CD2 LEU A 48 2.369 4.981 -1.737 1.00 0.00 C ATOM 0 H LEU A 48 4.542 7.207 0.813 1.00 0.00 H new ATOM 0 HA LEU A 48 3.769 7.545 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.148 7.393 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.470 7.241 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 48 3.807 5.480 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.220 3.809 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.217 5.298 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.891 4.981 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.631 3.923 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.298 5.090 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.916 5.496 -2.527 1.00 0.00 H new ATOM 741 N PRO A 49 2.356 9.723 -1.958 1.00 0.00 N ATOM 742 CA PRO A 49 1.899 11.111 -2.121 1.00 0.00 C ATOM 743 C PRO A 49 1.113 11.544 -0.883 1.00 0.00 C ATOM 744 O PRO A 49 0.480 10.742 -0.227 1.00 0.00 O ATOM 745 CB PRO A 49 0.998 11.084 -3.364 1.00 0.00 C ATOM 746 CG PRO A 49 1.059 9.651 -3.956 1.00 0.00 C ATOM 747 CD PRO A 49 1.863 8.778 -2.979 1.00 0.00 C ATOM 0 HA PRO A 49 2.721 11.817 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.027 11.346 -3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.335 11.816 -4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.055 9.249 -4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.532 9.662 -4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.239 8.003 -2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.687 8.273 -3.484 1.00 0.00 H new ATOM 755 N ASP A 50 1.157 12.802 -0.554 1.00 0.00 N ATOM 756 CA ASP A 50 0.420 13.284 0.637 1.00 0.00 C ATOM 757 C ASP A 50 -1.027 12.803 0.578 1.00 0.00 C ATOM 758 O ASP A 50 -1.473 12.024 1.396 1.00 0.00 O ATOM 759 CB ASP A 50 0.463 14.809 0.660 1.00 0.00 C ATOM 760 CG ASP A 50 1.323 15.278 1.835 1.00 0.00 C ATOM 761 OD1 ASP A 50 2.499 14.952 1.850 1.00 0.00 O ATOM 762 OD2 ASP A 50 0.791 15.956 2.699 1.00 0.00 O ATOM 0 H ASP A 50 1.675 13.518 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 50 0.882 12.891 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.872 15.186 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.546 15.210 0.751 1.00 0.00 H new ATOM 767 N ASN A 51 -1.757 13.275 -0.382 1.00 0.00 N ATOM 768 CA ASN A 51 -3.172 12.888 -0.528 1.00 0.00 C ATOM 769 C ASN A 51 -3.289 11.494 -1.159 1.00 0.00 C ATOM 770 O ASN A 51 -4.371 11.041 -1.476 1.00 0.00 O ATOM 771 CB ASN A 51 -3.844 13.914 -1.430 1.00 0.00 C ATOM 772 CG ASN A 51 -3.343 13.737 -2.864 1.00 0.00 C ATOM 773 OD1 ASN A 51 -2.467 12.935 -3.121 1.00 0.00 O ATOM 774 ND2 ASN A 51 -3.865 14.459 -3.817 1.00 0.00 N ATOM 0 H ASN A 51 -1.421 13.930 -1.088 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.651 12.858 0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.927 13.792 -1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.625 14.922 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.538 14.350 -4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.600 15.132 -3.602 1.00 0.00 H new ATOM 781 N SER A 52 -2.187 10.819 -1.349 1.00 0.00 N ATOM 782 CA SER A 52 -2.231 9.458 -1.965 1.00 0.00 C ATOM 783 C SER A 52 -3.432 8.672 -1.415 1.00 0.00 C ATOM 784 O SER A 52 -3.549 8.494 -0.219 1.00 0.00 O ATOM 785 CB SER A 52 -0.943 8.710 -1.626 1.00 0.00 C ATOM 786 OG SER A 52 -0.841 7.555 -2.449 1.00 0.00 O ATOM 0 H SER A 52 -1.254 11.152 -1.104 1.00 0.00 H new ATOM 0 HA SER A 52 -2.330 9.557 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.081 9.358 -1.781 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.941 8.423 -0.574 1.00 0.00 H new ATOM 0 HG SER A 52 -0.391 6.839 -1.954 1.00 0.00 H new ATOM 792 N PRO A 53 -4.289 8.222 -2.304 1.00 0.00 N ATOM 793 CA PRO A 53 -5.487 7.451 -1.921 1.00 0.00 C ATOM 794 C PRO A 53 -5.083 6.138 -1.244 1.00 0.00 C ATOM 795 O PRO A 53 -4.726 5.175 -1.896 1.00 0.00 O ATOM 796 CB PRO A 53 -6.214 7.170 -3.242 1.00 0.00 C ATOM 797 CG PRO A 53 -5.368 7.784 -4.386 1.00 0.00 C ATOM 798 CD PRO A 53 -4.135 8.444 -3.753 1.00 0.00 C ATOM 0 HA PRO A 53 -6.115 7.991 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.336 6.097 -3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.213 7.606 -3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.067 7.013 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.952 8.518 -4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.213 7.998 -4.125 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.092 9.508 -3.988 1.00 0.00 H new ATOM 806 N THR A 54 -5.133 6.089 0.058 1.00 0.00 N ATOM 807 CA THR A 54 -4.749 4.838 0.767 1.00 0.00 C ATOM 808 C THR A 54 -5.982 4.200 1.406 1.00 0.00 C ATOM 809 O THR A 54 -7.038 4.796 1.481 1.00 0.00 O ATOM 810 CB THR A 54 -3.714 5.168 1.838 1.00 0.00 C ATOM 811 OG1 THR A 54 -4.235 6.156 2.718 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.456 5.698 1.154 1.00 0.00 C ATOM 0 H THR A 54 -5.423 6.860 0.660 1.00 0.00 H new ATOM 0 HA THR A 54 -4.322 4.131 0.055 1.00 0.00 H new ATOM 0 HB THR A 54 -3.475 4.274 2.413 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.569 6.365 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.706 5.939 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.061 4.939 0.479 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.701 6.596 0.587 1.00 0.00 H new ATOM 820 N LYS A 55 -5.856 2.980 1.853 1.00 0.00 N ATOM 821 CA LYS A 55 -7.016 2.284 2.472 1.00 0.00 C ATOM 822 C LYS A 55 -7.716 3.218 3.458 1.00 0.00 C ATOM 823 O LYS A 55 -7.169 3.584 4.479 1.00 0.00 O ATOM 824 CB LYS A 55 -6.529 1.035 3.211 1.00 0.00 C ATOM 825 CG LYS A 55 -7.721 0.328 3.862 1.00 0.00 C ATOM 826 CD LYS A 55 -8.806 0.076 2.812 1.00 0.00 C ATOM 827 CE LYS A 55 -9.306 -1.365 2.934 1.00 0.00 C ATOM 828 NZ LYS A 55 -10.049 -1.742 1.698 1.00 0.00 N ATOM 0 H LYS A 55 -4.995 2.435 1.815 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.718 1.995 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.028 0.361 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.798 1.311 3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.400 -0.616 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.120 0.938 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.633 0.773 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.408 0.251 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.465 -2.041 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.954 -1.463 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.006 -2.773 1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.042 -1.445 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.618 -1.271 0.877 1.00 0.00 H new