USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 363 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 6 CYS SG : rot 70:sc= -0.146! USER MOD Set 1.2: A 9 CYS SG : rot -139:sc= 0.233 USER MOD Set 1.3: A 39 CYS SG : rot 152:sc= 0.0947 USER MOD Set 1.4: A 42 CYS SG : rot -142:sc= -0.843 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.943) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 166:sc= 0.895 USER MOD Single : A 14 ASN : amide:sc= -1.33 K(o=-1.3,f=-7.7!) USER MOD Single : A 22 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.63) USER MOD Single : A 25 ASN : amide:sc=-0.00975 X(o=-0.0098,f=0) USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.0804 (180deg=-0.931!) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= 2.39 (180deg=1.62) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -2.483 -0.066 10.623 1.00 0.00 N ATOM 21 CA LYS A 2 -1.259 -0.848 10.589 1.00 0.00 C ATOM 22 C LYS A 2 -0.664 -0.951 9.186 1.00 0.00 C ATOM 23 O LYS A 2 -1.288 -0.594 8.188 1.00 0.00 O ATOM 24 CB LYS A 2 -1.489 -2.241 11.147 1.00 0.00 C ATOM 25 CG LYS A 2 -2.246 -2.234 12.475 1.00 0.00 C ATOM 26 CD LYS A 2 -2.375 -3.713 12.813 1.00 0.00 C ATOM 27 CE LYS A 2 -3.301 -4.039 13.980 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.817 -3.453 15.243 1.00 0.00 N ATOM 0 HA LYS A 2 -0.542 -0.318 11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.047 -2.830 10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.527 -2.734 11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.700 -1.691 13.246 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.221 -1.757 12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.733 -4.240 11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.383 -4.105 13.038 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.302 -3.664 13.765 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.382 -5.121 14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.473 -3.697 16.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.872 -3.830 15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.764 -2.419 15.148 1.00 0.00 H new ATOM 42 N LYS A 3 0.574 -1.431 9.123 1.00 0.00 N ATOM 43 CA LYS A 3 1.325 -1.537 7.892 1.00 0.00 C ATOM 44 C LYS A 3 0.883 -2.792 7.153 1.00 0.00 C ATOM 45 O LYS A 3 0.219 -3.648 7.735 1.00 0.00 O ATOM 46 CB LYS A 3 2.819 -1.503 8.233 1.00 0.00 C ATOM 47 CG LYS A 3 3.117 -0.195 8.978 1.00 0.00 C ATOM 48 CD LYS A 3 4.593 -0.007 9.342 1.00 0.00 C ATOM 49 CE LYS A 3 4.705 1.093 10.411 1.00 0.00 C ATOM 50 NZ LYS A 3 6.105 1.441 10.710 1.00 0.00 N ATOM 0 H LYS A 3 1.085 -1.760 9.942 1.00 0.00 H new ATOM 0 HA LYS A 3 1.136 -0.702 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.086 -2.360 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.417 -1.566 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.796 0.644 8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.522 -0.165 9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.011 -0.941 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.168 0.267 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.176 1.983 10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.212 0.760 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.173 1.803 11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.701 0.594 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.431 2.172 10.045 1.00 0.00 H new ATOM 64 N TYR A 4 1.234 -2.895 5.873 1.00 0.00 N ATOM 65 CA TYR A 4 0.899 -4.055 5.043 1.00 0.00 C ATOM 66 C TYR A 4 2.053 -4.412 4.106 1.00 0.00 C ATOM 67 O TYR A 4 2.675 -3.506 3.555 1.00 0.00 O ATOM 68 CB TYR A 4 -0.375 -3.817 4.211 1.00 0.00 C ATOM 69 CG TYR A 4 -1.683 -4.013 4.954 1.00 0.00 C ATOM 70 CD1 TYR A 4 -2.111 -3.102 5.934 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.456 -5.156 4.692 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.247 -3.390 6.707 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.604 -5.433 5.449 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.992 -4.553 6.471 1.00 0.00 C ATOM 75 OH TYR A 4 -5.129 -4.783 7.185 1.00 0.00 O ATOM 0 H TYR A 4 1.761 -2.175 5.379 1.00 0.00 H new ATOM 0 HA TYR A 4 0.717 -4.885 5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.348 -2.800 3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.359 -4.490 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.567 -2.182 6.092 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.163 -5.829 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.549 -2.710 7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.187 -6.319 5.246 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.528 -5.631 6.900 1.00 0.00 H new ATOM 85 N THR A 5 2.323 -5.709 3.895 1.00 0.00 N ATOM 86 CA THR A 5 3.345 -6.151 2.933 1.00 0.00 C ATOM 87 C THR A 5 2.752 -6.590 1.581 1.00 0.00 C ATOM 88 O THR A 5 1.719 -7.266 1.543 1.00 0.00 O ATOM 89 CB THR A 5 4.268 -7.217 3.547 1.00 0.00 C ATOM 90 OG1 THR A 5 5.327 -7.466 2.647 1.00 0.00 O ATOM 91 CG2 THR A 5 3.555 -8.527 3.881 1.00 0.00 C ATOM 0 H THR A 5 1.847 -6.471 4.378 1.00 0.00 H new ATOM 0 HA THR A 5 3.961 -5.280 2.708 1.00 0.00 H new ATOM 0 HB THR A 5 4.635 -6.823 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.926 -8.143 3.026 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.269 -9.231 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.758 -8.335 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.129 -8.951 2.972 1.00 0.00 H new ATOM 99 N CYS A 6 3.436 -6.246 0.477 1.00 0.00 N ATOM 100 CA CYS A 6 3.101 -6.593 -0.911 1.00 0.00 C ATOM 101 C CYS A 6 3.530 -8.044 -1.193 1.00 0.00 C ATOM 102 O CYS A 6 4.183 -8.372 -2.183 1.00 0.00 O ATOM 103 CB CYS A 6 3.715 -5.548 -1.830 1.00 0.00 C ATOM 104 SG CYS A 6 3.324 -5.725 -3.616 1.00 0.00 S ATOM 0 H CYS A 6 4.286 -5.686 0.535 1.00 0.00 H new ATOM 0 HA CYS A 6 2.027 -6.570 -1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.384 -4.563 -1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.798 -5.577 -1.710 1.00 0.00 H new ATOM 0 HG CYS A 6 2.071 -5.444 -3.816 1.00 0.00 H new ATOM 109 N THR A 7 3.124 -8.960 -0.313 1.00 0.00 N ATOM 110 CA THR A 7 3.338 -10.392 -0.464 1.00 0.00 C ATOM 111 C THR A 7 4.825 -10.746 -0.699 1.00 0.00 C ATOM 112 O THR A 7 5.574 -10.909 0.260 1.00 0.00 O ATOM 113 CB THR A 7 2.362 -10.928 -1.531 1.00 0.00 C ATOM 114 OG1 THR A 7 1.072 -10.378 -1.336 1.00 0.00 O ATOM 115 CG2 THR A 7 2.235 -12.450 -1.463 1.00 0.00 C ATOM 0 H THR A 7 2.626 -8.717 0.543 1.00 0.00 H new ATOM 0 HA THR A 7 3.109 -10.906 0.470 1.00 0.00 H new ATOM 0 HB THR A 7 2.764 -10.640 -2.502 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.462 -10.724 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.539 -12.792 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.211 -12.904 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.864 -12.741 -0.480 1.00 0.00 H new ATOM 123 N VAL A 8 5.259 -10.882 -1.960 1.00 0.00 N ATOM 124 CA VAL A 8 6.630 -11.208 -2.350 1.00 0.00 C ATOM 125 C VAL A 8 7.478 -9.933 -2.486 1.00 0.00 C ATOM 126 O VAL A 8 8.698 -9.981 -2.329 1.00 0.00 O ATOM 127 CB VAL A 8 6.595 -12.010 -3.672 1.00 0.00 C ATOM 128 CG1 VAL A 8 7.987 -12.220 -4.289 1.00 0.00 C ATOM 129 CG2 VAL A 8 5.967 -13.392 -3.455 1.00 0.00 C ATOM 0 H VAL A 8 4.640 -10.763 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 8 7.097 -11.818 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 8 5.997 -11.411 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.893 -12.789 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.440 -11.252 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.617 -12.768 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.953 -13.938 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.554 -13.947 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.947 -13.275 -3.089 1.00 0.00 H new ATOM 139 N CYS A 9 6.852 -8.808 -2.831 1.00 0.00 N ATOM 140 CA CYS A 9 7.525 -7.578 -3.217 1.00 0.00 C ATOM 141 C CYS A 9 8.032 -6.856 -1.959 1.00 0.00 C ATOM 142 O CYS A 9 7.290 -6.601 -1.007 1.00 0.00 O ATOM 143 CB CYS A 9 6.535 -6.778 -4.014 1.00 0.00 C ATOM 144 SG CYS A 9 7.137 -5.194 -4.643 1.00 0.00 S ATOM 0 H CYS A 9 5.835 -8.730 -2.849 1.00 0.00 H new ATOM 0 HA CYS A 9 8.407 -7.753 -3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.203 -7.382 -4.859 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.660 -6.592 -3.392 1.00 0.00 H new ATOM 0 HG CYS A 9 6.208 -4.294 -4.512 1.00 0.00 H new ATOM 149 N GLY A 10 9.333 -6.568 -1.929 1.00 0.00 N ATOM 150 CA GLY A 10 10.007 -6.065 -0.745 1.00 0.00 C ATOM 151 C GLY A 10 9.903 -4.548 -0.652 1.00 0.00 C ATOM 152 O GLY A 10 10.873 -3.859 -0.967 1.00 0.00 O ATOM 0 H GLY A 10 9.948 -6.680 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.569 -6.517 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.056 -6.359 -0.769 1.00 0.00 H new ATOM 156 N TYR A 11 8.754 -4.027 -0.201 1.00 0.00 N ATOM 157 CA TYR A 11 8.574 -2.587 -0.007 1.00 0.00 C ATOM 158 C TYR A 11 7.899 -2.245 1.325 1.00 0.00 C ATOM 159 O TYR A 11 8.472 -1.504 2.119 1.00 0.00 O ATOM 160 CB TYR A 11 7.843 -1.969 -1.208 1.00 0.00 C ATOM 161 CG TYR A 11 8.278 -0.544 -1.495 1.00 0.00 C ATOM 162 CD1 TYR A 11 7.887 0.507 -0.644 1.00 0.00 C ATOM 163 CD2 TYR A 11 9.137 -0.280 -2.579 1.00 0.00 C ATOM 164 CE1 TYR A 11 8.325 1.819 -0.899 1.00 0.00 C ATOM 165 CE2 TYR A 11 9.590 1.027 -2.820 1.00 0.00 C ATOM 166 CZ TYR A 11 9.170 2.079 -1.989 1.00 0.00 C ATOM 167 OH TYR A 11 9.584 3.353 -2.240 1.00 0.00 O ATOM 0 H TYR A 11 7.934 -4.586 0.036 1.00 0.00 H new ATOM 0 HA TYR A 11 9.566 -2.140 0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.022 -2.583 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.769 -1.985 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.250 0.306 0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.449 -1.086 -3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.011 2.627 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.261 1.223 -3.643 1.00 0.00 H new ATOM 0 HH TYR A 11 10.165 3.359 -3.030 1.00 0.00 H new ATOM 177 N ILE A 12 6.693 -2.781 1.553 1.00 0.00 N ATOM 178 CA ILE A 12 5.809 -2.496 2.688 1.00 0.00 C ATOM 179 C ILE A 12 5.122 -1.134 2.549 1.00 0.00 C ATOM 180 O ILE A 12 5.772 -0.095 2.481 1.00 0.00 O ATOM 181 CB ILE A 12 6.467 -2.735 4.072 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.536 -4.259 4.279 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.689 -2.049 5.218 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.429 -4.697 5.442 1.00 0.00 C ATOM 0 H ILE A 12 6.286 -3.464 0.914 1.00 0.00 H new ATOM 0 HA ILE A 12 5.013 -3.240 2.650 1.00 0.00 H new ATOM 0 HB ILE A 12 7.463 -2.293 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.528 -4.637 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.900 -4.722 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.189 -2.246 6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.655 -0.974 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.673 -2.443 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.421 -5.784 5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.448 -4.353 5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.054 -4.266 6.371 1.00 0.00 H new ATOM 196 N TYR A 13 3.787 -1.154 2.542 1.00 0.00 N ATOM 197 CA TYR A 13 2.956 0.032 2.640 1.00 0.00 C ATOM 198 C TYR A 13 2.814 0.402 4.117 1.00 0.00 C ATOM 199 O TYR A 13 2.598 -0.472 4.961 1.00 0.00 O ATOM 200 CB TYR A 13 1.580 -0.244 2.023 1.00 0.00 C ATOM 201 CG TYR A 13 0.607 0.899 2.238 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.613 2.001 1.374 1.00 0.00 C ATOM 203 CD2 TYR A 13 -0.191 0.925 3.392 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.113 3.159 1.700 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.949 2.073 3.705 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.894 3.208 2.867 1.00 0.00 C ATOM 207 OH TYR A 13 -1.727 4.284 3.043 1.00 0.00 O ATOM 0 H TYR A 13 3.249 -2.017 2.466 1.00 0.00 H new ATOM 0 HA TYR A 13 3.414 0.859 2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.694 -0.423 0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.167 -1.155 2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.177 1.961 0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.225 0.064 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.070 4.019 1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.572 2.084 4.587 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.364 4.090 3.762 1.00 0.00 H new ATOM 217 N ASN A 14 2.897 1.702 4.417 1.00 0.00 N ATOM 218 CA ASN A 14 2.774 2.249 5.759 1.00 0.00 C ATOM 219 C ASN A 14 1.737 3.366 5.759 1.00 0.00 C ATOM 220 O ASN A 14 1.955 4.384 5.113 1.00 0.00 O ATOM 221 CB ASN A 14 4.149 2.745 6.214 1.00 0.00 C ATOM 222 CG ASN A 14 4.116 3.357 7.609 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.067 3.470 8.237 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.275 3.738 8.120 1.00 0.00 N ATOM 0 H ASN A 14 3.056 2.418 3.708 1.00 0.00 H new ATOM 0 HA ASN A 14 2.435 1.486 6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.854 1.914 6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.518 3.486 5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.312 4.137 9.058 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.131 3.633 7.576 1.00 0.00 H new ATOM 231 N PRO A 15 0.606 3.215 6.465 1.00 0.00 N ATOM 232 CA PRO A 15 -0.479 4.172 6.382 1.00 0.00 C ATOM 233 C PRO A 15 -0.098 5.518 6.945 1.00 0.00 C ATOM 234 O PRO A 15 -0.470 6.528 6.361 1.00 0.00 O ATOM 235 CB PRO A 15 -1.656 3.576 7.142 1.00 0.00 C ATOM 236 CG PRO A 15 -1.000 2.576 8.087 1.00 0.00 C ATOM 237 CD PRO A 15 0.296 2.152 7.402 1.00 0.00 C ATOM 0 HA PRO A 15 -0.735 4.351 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.210 4.340 7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.363 3.089 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.800 3.028 9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.649 1.718 8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.099 2.022 8.128 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.174 1.199 6.888 1.00 0.00 H new ATOM 245 N GLU A 16 0.647 5.546 8.047 1.00 0.00 N ATOM 246 CA GLU A 16 1.093 6.788 8.647 1.00 0.00 C ATOM 247 C GLU A 16 1.849 7.641 7.628 1.00 0.00 C ATOM 248 O GLU A 16 1.754 8.868 7.648 1.00 0.00 O ATOM 249 CB GLU A 16 1.945 6.450 9.869 1.00 0.00 C ATOM 250 CG GLU A 16 1.072 5.776 10.940 1.00 0.00 C ATOM 251 CD GLU A 16 1.680 5.907 12.328 1.00 0.00 C ATOM 252 OE1 GLU A 16 1.561 7.016 12.891 1.00 0.00 O ATOM 253 OE2 GLU A 16 2.240 4.894 12.800 1.00 0.00 O ATOM 0 H GLU A 16 0.954 4.709 8.543 1.00 0.00 H new ATOM 0 HA GLU A 16 0.239 7.384 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.762 5.788 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.396 7.357 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.079 6.225 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.947 4.721 10.696 1.00 0.00 H new ATOM 260 N ASP A 17 2.553 6.977 6.711 1.00 0.00 N ATOM 261 CA ASP A 17 3.366 7.629 5.695 1.00 0.00 C ATOM 262 C ASP A 17 2.561 7.776 4.397 1.00 0.00 C ATOM 263 O ASP A 17 2.804 8.682 3.601 1.00 0.00 O ATOM 264 CB ASP A 17 4.645 6.810 5.492 1.00 0.00 C ATOM 265 CG ASP A 17 5.588 6.864 6.692 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.177 6.407 7.782 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.731 7.326 6.495 1.00 0.00 O ATOM 0 H ASP A 17 2.572 5.959 6.656 1.00 0.00 H new ATOM 0 HA ASP A 17 3.647 8.633 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.377 5.772 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.168 7.178 4.609 1.00 0.00 H new ATOM 272 N GLY A 18 1.579 6.895 4.193 1.00 0.00 N ATOM 273 CA GLY A 18 0.848 6.750 2.954 1.00 0.00 C ATOM 274 C GLY A 18 1.777 6.332 1.817 1.00 0.00 C ATOM 275 O GLY A 18 2.851 5.781 2.050 1.00 0.00 O ATOM 0 H GLY A 18 1.268 6.246 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.060 6.007 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.361 7.692 2.703 1.00 0.00 H new ATOM 279 N ASP A 19 1.348 6.614 0.586 1.00 0.00 N ATOM 280 CA ASP A 19 2.147 6.496 -0.626 1.00 0.00 C ATOM 281 C ASP A 19 1.772 7.662 -1.556 1.00 0.00 C ATOM 282 O ASP A 19 1.232 7.454 -2.650 1.00 0.00 O ATOM 283 CB ASP A 19 1.958 5.095 -1.249 1.00 0.00 C ATOM 284 CG ASP A 19 3.205 4.232 -1.085 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.275 4.698 -1.531 1.00 0.00 O ATOM 286 OD2 ASP A 19 3.058 3.107 -0.561 1.00 0.00 O ATOM 0 H ASP A 19 0.400 6.942 0.403 1.00 0.00 H new ATOM 0 HA ASP A 19 3.215 6.575 -0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.108 4.600 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.722 5.197 -2.308 1.00 0.00 H new ATOM 291 N PRO A 20 2.007 8.916 -1.127 1.00 0.00 N ATOM 292 CA PRO A 20 1.509 10.092 -1.825 1.00 0.00 C ATOM 293 C PRO A 20 2.094 10.188 -3.229 1.00 0.00 C ATOM 294 O PRO A 20 1.400 10.614 -4.149 1.00 0.00 O ATOM 295 CB PRO A 20 1.877 11.299 -0.961 1.00 0.00 C ATOM 296 CG PRO A 20 3.012 10.789 -0.075 1.00 0.00 C ATOM 297 CD PRO A 20 2.691 9.306 0.097 1.00 0.00 C ATOM 0 HA PRO A 20 0.429 10.043 -1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.196 12.144 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.028 11.638 -0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.985 10.937 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.037 11.308 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.599 8.721 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.060 9.139 0.970 1.00 0.00 H new ATOM 305 N ASP A 21 3.340 9.741 -3.406 1.00 0.00 N ATOM 306 CA ASP A 21 4.037 9.725 -4.676 1.00 0.00 C ATOM 307 C ASP A 21 3.244 8.935 -5.719 1.00 0.00 C ATOM 308 O ASP A 21 3.328 9.204 -6.914 1.00 0.00 O ATOM 309 CB ASP A 21 5.413 9.093 -4.439 1.00 0.00 C ATOM 310 CG ASP A 21 6.242 9.919 -3.469 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.876 9.889 -2.273 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.196 10.575 -3.939 1.00 0.00 O ATOM 0 H ASP A 21 3.901 9.370 -2.639 1.00 0.00 H new ATOM 0 HA ASP A 21 4.149 10.738 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.289 8.084 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.942 9.003 -5.388 1.00 0.00 H new ATOM 317 N ASN A 22 2.481 7.946 -5.247 1.00 0.00 N ATOM 318 CA ASN A 22 1.690 7.035 -6.059 1.00 0.00 C ATOM 319 C ASN A 22 0.234 7.476 -6.095 1.00 0.00 C ATOM 320 O ASN A 22 -0.459 7.247 -7.083 1.00 0.00 O ATOM 321 CB ASN A 22 1.803 5.619 -5.496 1.00 0.00 C ATOM 322 CG ASN A 22 3.246 5.193 -5.261 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.863 4.549 -6.103 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.778 5.552 -4.099 1.00 0.00 N ATOM 0 H ASN A 22 2.398 7.755 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 22 2.073 7.047 -7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.254 5.561 -4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.330 4.920 -6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.739 5.292 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.226 6.088 -3.429 1.00 0.00 H new ATOM 331 N GLY A 23 -0.221 8.106 -5.010 1.00 0.00 N ATOM 332 CA GLY A 23 -1.508 8.780 -4.944 1.00 0.00 C ATOM 333 C GLY A 23 -2.247 8.586 -3.617 1.00 0.00 C ATOM 334 O GLY A 23 -3.401 8.993 -3.502 1.00 0.00 O ATOM 0 H GLY A 23 0.308 8.160 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.357 9.846 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.139 8.417 -5.755 1.00 0.00 H new ATOM 338 N VAL A 24 -1.616 7.974 -2.610 1.00 0.00 N ATOM 339 CA VAL A 24 -2.246 7.674 -1.329 1.00 0.00 C ATOM 340 C VAL A 24 -1.702 8.626 -0.273 1.00 0.00 C ATOM 341 O VAL A 24 -0.532 8.563 0.084 1.00 0.00 O ATOM 342 CB VAL A 24 -1.979 6.207 -0.984 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.337 5.868 0.459 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.843 5.322 -1.884 1.00 0.00 C ATOM 0 H VAL A 24 -0.643 7.672 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.326 7.817 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.913 6.034 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.127 4.815 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.744 6.483 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.396 6.063 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.661 4.274 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.895 5.554 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.589 5.507 -2.928 1.00 0.00 H new ATOM 354 N ASN A 25 -2.545 9.518 0.234 1.00 0.00 N ATOM 355 CA ASN A 25 -2.134 10.495 1.232 1.00 0.00 C ATOM 356 C ASN A 25 -1.707 9.795 2.528 1.00 0.00 C ATOM 357 O ASN A 25 -2.181 8.693 2.810 1.00 0.00 O ATOM 358 CB ASN A 25 -3.292 11.467 1.500 1.00 0.00 C ATOM 359 CG ASN A 25 -3.348 12.586 0.464 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.126 13.748 0.788 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.630 12.256 -0.794 1.00 0.00 N ATOM 0 H ASN A 25 -3.527 9.584 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.278 11.054 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.234 10.919 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.181 11.899 2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.665 12.977 -1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.811 11.282 -1.038 1.00 0.00 H new ATOM 368 N PRO A 26 -0.838 10.412 3.341 1.00 0.00 N ATOM 369 CA PRO A 26 -0.547 9.897 4.664 1.00 0.00 C ATOM 370 C PRO A 26 -1.815 9.827 5.508 1.00 0.00 C ATOM 371 O PRO A 26 -2.739 10.622 5.345 1.00 0.00 O ATOM 372 CB PRO A 26 0.504 10.817 5.279 1.00 0.00 C ATOM 373 CG PRO A 26 0.438 12.092 4.438 1.00 0.00 C ATOM 374 CD PRO A 26 -0.127 11.651 3.087 1.00 0.00 C ATOM 0 HA PRO A 26 -0.163 8.878 4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.287 11.022 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.496 10.367 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.201 12.841 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.425 12.541 4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.795 12.408 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.671 11.502 2.359 1.00 0.00 H new ATOM 382 N GLY A 27 -1.846 8.839 6.394 1.00 0.00 N ATOM 383 CA GLY A 27 -2.967 8.537 7.254 1.00 0.00 C ATOM 384 C GLY A 27 -4.082 7.797 6.523 1.00 0.00 C ATOM 385 O GLY A 27 -5.185 7.719 7.060 1.00 0.00 O ATOM 0 H GLY A 27 -1.058 8.207 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.624 7.932 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.362 9.464 7.669 1.00 0.00 H new ATOM 389 N THR A 28 -3.834 7.229 5.334 1.00 0.00 N ATOM 390 CA THR A 28 -4.863 6.488 4.648 1.00 0.00 C ATOM 391 C THR A 28 -4.775 5.050 5.113 1.00 0.00 C ATOM 392 O THR A 28 -3.762 4.383 4.896 1.00 0.00 O ATOM 393 CB THR A 28 -4.659 6.585 3.139 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.754 7.928 2.717 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.744 5.798 2.419 1.00 0.00 C ATOM 0 H THR A 28 -2.939 7.276 4.846 1.00 0.00 H new ATOM 0 HA THR A 28 -5.850 6.894 4.872 1.00 0.00 H new ATOM 0 HB THR A 28 -3.673 6.185 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.875 8.355 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.593 5.871 1.342 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.696 4.752 2.722 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.721 6.206 2.677 1.00 0.00 H new ATOM 403 N ASP A 29 -5.854 4.573 5.724 1.00 0.00 N ATOM 404 CA ASP A 29 -5.991 3.182 6.072 1.00 0.00 C ATOM 405 C ASP A 29 -5.883 2.344 4.813 1.00 0.00 C ATOM 406 O ASP A 29 -6.531 2.645 3.815 1.00 0.00 O ATOM 407 CB ASP A 29 -7.349 2.946 6.719 1.00 0.00 C ATOM 408 CG ASP A 29 -7.401 1.615 7.435 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.826 0.632 6.914 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.894 1.573 8.582 1.00 0.00 O ATOM 0 H ASP A 29 -6.654 5.149 5.988 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.205 2.902 6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.560 3.748 7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.127 2.980 5.956 1.00 0.00 H new ATOM 415 N PHE A 30 -5.118 1.261 4.889 1.00 0.00 N ATOM 416 CA PHE A 30 -5.053 0.263 3.844 1.00 0.00 C ATOM 417 C PHE A 30 -6.432 -0.133 3.332 1.00 0.00 C ATOM 418 O PHE A 30 -6.593 -0.406 2.140 1.00 0.00 O ATOM 419 CB PHE A 30 -4.331 -0.974 4.371 1.00 0.00 C ATOM 420 CG PHE A 30 -3.678 -1.734 3.250 1.00 0.00 C ATOM 421 CD1 PHE A 30 -2.597 -1.119 2.606 1.00 0.00 C ATOM 422 CD2 PHE A 30 -4.234 -2.911 2.722 1.00 0.00 C ATOM 423 CE1 PHE A 30 -1.962 -1.735 1.531 1.00 0.00 C ATOM 424 CE2 PHE A 30 -3.631 -3.510 1.606 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.456 -2.953 1.068 1.00 0.00 C ATOM 0 H PHE A 30 -4.521 1.055 5.690 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.507 0.698 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.578 -0.677 5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.040 -1.620 4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.252 -0.154 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.114 -3.349 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.102 -1.277 1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.066 -4.393 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.929 -3.477 0.284 1.00 0.00 H new ATOM 435 N LYS A 31 -7.448 -0.164 4.201 1.00 0.00 N ATOM 436 CA LYS A 31 -8.762 -0.536 3.704 1.00 0.00 C ATOM 437 C LYS A 31 -9.281 0.533 2.739 1.00 0.00 C ATOM 438 O LYS A 31 -9.842 0.212 1.695 1.00 0.00 O ATOM 439 CB LYS A 31 -9.703 -0.854 4.862 1.00 0.00 C ATOM 440 CG LYS A 31 -10.088 0.439 5.565 1.00 0.00 C ATOM 441 CD LYS A 31 -10.770 0.149 6.894 1.00 0.00 C ATOM 442 CE LYS A 31 -11.131 1.456 7.622 1.00 0.00 C ATOM 443 NZ LYS A 31 -12.024 2.334 6.835 1.00 0.00 N ATOM 0 H LYS A 31 -7.389 0.052 5.196 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.698 -1.456 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.595 -1.360 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.219 -1.533 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.198 1.046 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.755 1.020 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.672 -0.438 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.112 -0.452 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.612 1.215 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.215 1.998 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.912 3.318 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.777 2.266 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.011 2.036 6.970 1.00 0.00 H new ATOM 457 N ASP A 32 -9.034 1.797 3.089 1.00 0.00 N ATOM 458 CA ASP A 32 -9.561 2.979 2.432 1.00 0.00 C ATOM 459 C ASP A 32 -8.753 3.301 1.177 1.00 0.00 C ATOM 460 O ASP A 32 -9.192 4.108 0.360 1.00 0.00 O ATOM 461 CB ASP A 32 -9.569 4.150 3.433 1.00 0.00 C ATOM 462 CG ASP A 32 -10.543 3.917 4.585 1.00 0.00 C ATOM 463 OD1 ASP A 32 -11.562 3.219 4.394 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.250 4.315 5.730 1.00 0.00 O ATOM 0 H ASP A 32 -8.430 2.028 3.878 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.586 2.798 2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.565 4.292 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.838 5.069 2.912 1.00 0.00 H new ATOM 469 N ILE A 33 -7.583 2.676 0.985 1.00 0.00 N ATOM 470 CA ILE A 33 -6.839 2.813 -0.242 1.00 0.00 C ATOM 471 C ILE A 33 -7.727 2.378 -1.410 1.00 0.00 C ATOM 472 O ILE A 33 -8.316 1.296 -1.331 1.00 0.00 O ATOM 473 CB ILE A 33 -5.601 1.933 -0.156 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.705 2.437 0.965 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.788 1.899 -1.427 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.333 1.775 0.976 1.00 0.00 C ATOM 0 H ILE A 33 -7.142 2.071 1.678 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.534 3.848 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.959 0.920 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.581 3.515 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.195 2.259 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.922 1.251 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.402 1.514 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.452 2.907 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.742 2.177 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.449 0.699 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.825 1.975 0.032 1.00 0.00 H new ATOM 488 N PRO A 34 -7.788 3.170 -2.488 1.00 0.00 N ATOM 489 CA PRO A 34 -8.561 2.841 -3.666 1.00 0.00 C ATOM 490 C PRO A 34 -8.032 1.550 -4.292 1.00 0.00 C ATOM 491 O PRO A 34 -6.823 1.358 -4.397 1.00 0.00 O ATOM 492 CB PRO A 34 -8.390 4.015 -4.633 1.00 0.00 C ATOM 493 CG PRO A 34 -7.416 4.999 -3.982 1.00 0.00 C ATOM 494 CD PRO A 34 -6.945 4.331 -2.693 1.00 0.00 C ATOM 0 HA PRO A 34 -9.612 2.682 -3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.005 3.670 -5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.349 4.495 -4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.575 5.210 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.904 5.951 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.898 4.039 -2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.023 5.019 -1.851 1.00 0.00 H new ATOM 502 N ASP A 35 -8.924 0.673 -4.747 1.00 0.00 N ATOM 503 CA ASP A 35 -8.550 -0.584 -5.368 1.00 0.00 C ATOM 504 C ASP A 35 -7.792 -0.372 -6.685 1.00 0.00 C ATOM 505 O ASP A 35 -7.099 -1.278 -7.141 1.00 0.00 O ATOM 506 CB ASP A 35 -9.819 -1.435 -5.516 1.00 0.00 C ATOM 507 CG ASP A 35 -9.942 -2.491 -4.420 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.686 -2.140 -3.245 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.307 -3.631 -4.774 1.00 0.00 O ATOM 0 H ASP A 35 -9.932 0.821 -4.692 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.843 -1.123 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.694 -0.785 -5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.813 -1.925 -6.490 1.00 0.00 H new ATOM 514 N ASP A 36 -7.878 0.825 -7.279 1.00 0.00 N ATOM 515 CA ASP A 36 -7.104 1.203 -8.449 1.00 0.00 C ATOM 516 C ASP A 36 -5.640 1.513 -8.115 1.00 0.00 C ATOM 517 O ASP A 36 -4.806 1.567 -9.018 1.00 0.00 O ATOM 518 CB ASP A 36 -7.788 2.384 -9.149 1.00 0.00 C ATOM 519 CG ASP A 36 -7.852 3.629 -8.281 1.00 0.00 C ATOM 520 OD1 ASP A 36 -6.797 4.272 -8.105 1.00 0.00 O ATOM 521 OD2 ASP A 36 -8.965 3.893 -7.776 1.00 0.00 O ATOM 0 H ASP A 36 -8.499 1.563 -6.949 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.075 0.350 -9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.251 2.616 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.799 2.094 -9.435 1.00 0.00 H new ATOM 526 N TRP A 37 -5.307 1.704 -6.835 1.00 0.00 N ATOM 527 CA TRP A 37 -3.945 2.024 -6.433 1.00 0.00 C ATOM 528 C TRP A 37 -3.016 0.823 -6.621 1.00 0.00 C ATOM 529 O TRP A 37 -3.431 -0.331 -6.509 1.00 0.00 O ATOM 530 CB TRP A 37 -3.929 2.500 -4.984 1.00 0.00 C ATOM 531 CG TRP A 37 -2.575 2.711 -4.382 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.791 3.806 -4.483 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.811 1.750 -3.604 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.659 3.626 -3.708 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.616 2.367 -3.148 1.00 0.00 C ATOM 536 CE3 TRP A 37 -2.014 0.404 -3.257 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.302 1.695 -2.331 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.094 -0.292 -2.451 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.059 0.358 -1.977 1.00 0.00 C ATOM 0 H TRP A 37 -5.969 1.641 -6.061 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.577 2.827 -7.072 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.483 3.437 -4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.466 1.772 -4.376 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.012 4.682 -5.074 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.057 4.339 -3.568 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.895 -0.107 -3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.188 2.200 -1.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.274 -1.326 -2.196 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.756 -0.169 -1.342 1.00 0.00 H new ATOM 550 N VAL A 38 -1.740 1.120 -6.880 1.00 0.00 N ATOM 551 CA VAL A 38 -0.699 0.163 -7.220 1.00 0.00 C ATOM 552 C VAL A 38 0.479 0.304 -6.247 1.00 0.00 C ATOM 553 O VAL A 38 0.725 1.384 -5.714 1.00 0.00 O ATOM 554 CB VAL A 38 -0.290 0.401 -8.685 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.920 -0.438 -9.098 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.460 0.065 -9.621 1.00 0.00 C ATOM 0 H VAL A 38 -1.395 2.080 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.059 -0.862 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.020 1.454 -8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.167 -0.232 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.771 -0.184 -8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.685 -1.496 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.160 0.237 -10.655 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.739 -0.981 -9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.312 0.700 -9.380 1.00 0.00 H new ATOM 566 N CYS A 39 1.188 -0.807 -6.021 1.00 0.00 N ATOM 567 CA CYS A 39 2.347 -0.916 -5.145 1.00 0.00 C ATOM 568 C CYS A 39 3.463 0.055 -5.561 1.00 0.00 C ATOM 569 O CYS A 39 3.773 0.160 -6.751 1.00 0.00 O ATOM 570 CB CYS A 39 2.837 -2.342 -5.218 1.00 0.00 C ATOM 571 SG CYS A 39 4.296 -2.635 -4.187 1.00 0.00 S ATOM 0 H CYS A 39 0.954 -1.694 -6.468 1.00 0.00 H new ATOM 0 HA CYS A 39 2.064 -0.653 -4.126 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.037 -3.013 -4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.074 -2.588 -6.253 1.00 0.00 H new ATOM 0 HG CYS A 39 4.314 -3.877 -3.804 1.00 0.00 H new ATOM 576 N PRO A 40 4.110 0.750 -4.610 1.00 0.00 N ATOM 577 CA PRO A 40 5.262 1.579 -4.917 1.00 0.00 C ATOM 578 C PRO A 40 6.370 0.730 -5.544 1.00 0.00 C ATOM 579 O PRO A 40 6.825 -0.245 -4.952 1.00 0.00 O ATOM 580 CB PRO A 40 5.692 2.198 -3.584 1.00 0.00 C ATOM 581 CG PRO A 40 5.200 1.185 -2.553 1.00 0.00 C ATOM 582 CD PRO A 40 3.895 0.694 -3.171 1.00 0.00 C ATOM 0 HA PRO A 40 5.033 2.359 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.772 2.332 -3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.241 3.179 -3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.912 0.373 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.040 1.644 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.663 -0.320 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.057 1.324 -2.873 1.00 0.00 H new ATOM 590 N LEU A 41 6.816 1.113 -6.745 1.00 0.00 N ATOM 591 CA LEU A 41 7.881 0.443 -7.490 1.00 0.00 C ATOM 592 C LEU A 41 7.485 -0.969 -7.950 1.00 0.00 C ATOM 593 O LEU A 41 8.361 -1.764 -8.291 1.00 0.00 O ATOM 594 CB LEU A 41 9.217 0.469 -6.704 1.00 0.00 C ATOM 595 CG LEU A 41 10.104 1.698 -6.964 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.810 1.588 -8.322 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.344 3.022 -6.842 1.00 0.00 C ATOM 0 H LEU A 41 6.434 1.920 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 41 8.040 1.010 -8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.994 0.420 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.784 -0.428 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 41 10.860 1.706 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.431 2.469 -8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.436 0.696 -8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.065 1.520 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.024 3.851 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.530 3.042 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.936 3.116 -5.836 1.00 0.00 H new ATOM 609 N CYS A 42 6.187 -1.276 -8.050 1.00 0.00 N ATOM 610 CA CYS A 42 5.720 -2.566 -8.546 1.00 0.00 C ATOM 611 C CYS A 42 4.403 -2.331 -9.298 1.00 0.00 C ATOM 612 O CYS A 42 3.990 -1.186 -9.467 1.00 0.00 O ATOM 613 CB CYS A 42 5.765 -3.553 -7.393 1.00 0.00 C ATOM 614 SG CYS A 42 4.521 -4.875 -7.317 1.00 0.00 S ATOM 0 H CYS A 42 5.436 -0.636 -7.789 1.00 0.00 H new ATOM 0 HA CYS A 42 6.348 -3.044 -9.298 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.747 -4.025 -7.402 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.695 -2.981 -6.468 1.00 0.00 H new ATOM 0 HG CYS A 42 4.174 -5.074 -6.080 1.00 0.00 H new ATOM 619 N GLY A 43 3.815 -3.379 -9.879 1.00 0.00 N ATOM 620 CA GLY A 43 2.743 -3.271 -10.855 1.00 0.00 C ATOM 621 C GLY A 43 1.782 -4.444 -10.717 1.00 0.00 C ATOM 622 O GLY A 43 1.843 -5.384 -11.506 1.00 0.00 O ATOM 0 H GLY A 43 4.080 -4.343 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.206 -2.333 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.160 -3.250 -11.862 1.00 0.00 H new ATOM 626 N VAL A 44 0.898 -4.380 -9.720 1.00 0.00 N ATOM 627 CA VAL A 44 -0.100 -5.409 -9.462 1.00 0.00 C ATOM 628 C VAL A 44 -1.404 -4.763 -8.980 1.00 0.00 C ATOM 629 O VAL A 44 -2.355 -4.668 -9.751 1.00 0.00 O ATOM 630 CB VAL A 44 0.505 -6.510 -8.562 1.00 0.00 C ATOM 631 CG1 VAL A 44 1.047 -6.039 -7.203 1.00 0.00 C ATOM 632 CG2 VAL A 44 -0.472 -7.672 -8.358 1.00 0.00 C ATOM 0 H VAL A 44 0.858 -3.601 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.386 -5.935 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 44 1.377 -6.846 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.447 -6.892 -6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.838 -5.306 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.241 -5.584 -6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.012 -8.427 -7.720 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.382 -7.303 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.718 -8.114 -9.323 1.00 0.00 H new ATOM 642 N GLY A 45 -1.438 -4.269 -7.740 1.00 0.00 N ATOM 643 CA GLY A 45 -2.633 -3.749 -7.092 1.00 0.00 C ATOM 644 C GLY A 45 -2.542 -4.084 -5.606 1.00 0.00 C ATOM 645 O GLY A 45 -1.726 -4.920 -5.232 1.00 0.00 O ATOM 0 H GLY A 45 -0.609 -4.221 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.707 -2.671 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.528 -4.192 -7.529 1.00 0.00 H new ATOM 649 N LYS A 46 -3.331 -3.428 -4.747 1.00 0.00 N ATOM 650 CA LYS A 46 -3.358 -3.730 -3.310 1.00 0.00 C ATOM 651 C LYS A 46 -3.922 -5.123 -2.991 1.00 0.00 C ATOM 652 O LYS A 46 -3.749 -5.611 -1.870 1.00 0.00 O ATOM 653 CB LYS A 46 -4.174 -2.677 -2.546 1.00 0.00 C ATOM 654 CG LYS A 46 -5.621 -2.565 -3.046 1.00 0.00 C ATOM 655 CD LYS A 46 -6.406 -1.479 -2.319 1.00 0.00 C ATOM 656 CE LYS A 46 -6.399 -1.664 -0.803 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.638 -1.102 -0.218 1.00 0.00 N ATOM 0 H LYS A 46 -3.964 -2.678 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.317 -3.712 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.180 -2.928 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.686 -1.707 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.617 -2.353 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.123 -3.523 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.984 -0.505 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.436 -1.479 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.319 -2.723 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.528 -1.171 -0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.492 -0.919 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.876 -0.212 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.417 -1.780 -0.338 1.00 0.00 H new ATOM 671 N ASP A 47 -4.651 -5.700 -3.955 1.00 0.00 N ATOM 672 CA ASP A 47 -5.366 -6.965 -3.943 1.00 0.00 C ATOM 673 C ASP A 47 -5.860 -7.328 -2.546 1.00 0.00 C ATOM 674 O ASP A 47 -6.925 -6.877 -2.127 1.00 0.00 O ATOM 675 CB ASP A 47 -4.504 -8.044 -4.620 1.00 0.00 C ATOM 676 CG ASP A 47 -4.152 -7.702 -6.068 1.00 0.00 C ATOM 677 OD1 ASP A 47 -4.377 -6.537 -6.470 1.00 0.00 O ATOM 678 OD2 ASP A 47 -3.652 -8.623 -6.746 1.00 0.00 O ATOM 0 H ASP A 47 -4.760 -5.234 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.281 -6.878 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.585 -8.178 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.036 -8.995 -4.596 1.00 0.00 H new ATOM 683 N GLN A 48 -5.072 -8.110 -1.807 1.00 0.00 N ATOM 684 CA GLN A 48 -5.281 -8.279 -0.381 1.00 0.00 C ATOM 685 C GLN A 48 -3.937 -8.558 0.298 1.00 0.00 C ATOM 686 O GLN A 48 -3.712 -9.640 0.837 1.00 0.00 O ATOM 687 CB GLN A 48 -6.366 -9.340 -0.114 1.00 0.00 C ATOM 688 CG GLN A 48 -7.315 -8.867 0.996 1.00 0.00 C ATOM 689 CD GLN A 48 -7.859 -10.028 1.815 1.00 0.00 C ATOM 690 OE1 GLN A 48 -9.034 -10.373 1.731 1.00 0.00 O ATOM 691 NE2 GLN A 48 -7.002 -10.627 2.636 1.00 0.00 N ATOM 0 H GLN A 48 -4.282 -8.636 -2.181 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.667 -7.362 0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.930 -9.530 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.899 -10.282 0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.788 -8.176 1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.145 -8.316 0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.033 -10.313 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.314 -11.401 3.223 1.00 0.00 H new ATOM 700 N PHE A 49 -3.046 -7.562 0.249 1.00 0.00 N ATOM 701 CA PHE A 49 -1.748 -7.557 0.933 1.00 0.00 C ATOM 702 C PHE A 49 -1.873 -8.031 2.387 1.00 0.00 C ATOM 703 O PHE A 49 -2.944 -7.932 2.990 1.00 0.00 O ATOM 704 CB PHE A 49 -1.170 -6.134 0.846 1.00 0.00 C ATOM 705 CG PHE A 49 -0.620 -5.713 -0.508 1.00 0.00 C ATOM 706 CD1 PHE A 49 -0.835 -6.490 -1.665 1.00 0.00 C ATOM 707 CD2 PHE A 49 0.183 -4.556 -0.598 1.00 0.00 C ATOM 708 CE1 PHE A 49 -0.356 -6.051 -2.905 1.00 0.00 C ATOM 709 CE2 PHE A 49 0.589 -4.074 -1.853 1.00 0.00 C ATOM 710 CZ PHE A 49 0.296 -4.815 -3.008 1.00 0.00 C ATOM 0 H PHE A 49 -3.214 -6.709 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.071 -8.259 0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.951 -5.429 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.372 -6.043 1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.370 -7.425 -1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.486 -4.040 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.489 -6.666 -3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.124 -3.139 -1.929 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.574 -4.432 -3.979 1.00 0.00 H new ATOM 720 N GLU A 50 -0.776 -8.536 2.960 1.00 0.00 N ATOM 721 CA GLU A 50 -0.791 -9.103 4.304 1.00 0.00 C ATOM 722 C GLU A 50 -0.523 -7.979 5.293 1.00 0.00 C ATOM 723 O GLU A 50 0.201 -7.049 4.958 1.00 0.00 O ATOM 724 CB GLU A 50 0.275 -10.196 4.423 1.00 0.00 C ATOM 725 CG GLU A 50 -0.155 -11.489 3.723 1.00 0.00 C ATOM 726 CD GLU A 50 0.920 -12.559 3.861 1.00 0.00 C ATOM 727 OE1 GLU A 50 1.095 -13.034 5.003 1.00 0.00 O ATOM 728 OE2 GLU A 50 1.553 -12.868 2.829 1.00 0.00 O ATOM 0 H GLU A 50 0.137 -8.562 2.507 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.759 -9.557 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.210 -9.841 3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.470 -10.400 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.090 -11.848 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.345 -11.291 2.668 1.00 0.00 H new ATOM 735 N GLU A 51 -1.088 -8.040 6.497 1.00 0.00 N ATOM 736 CA GLU A 51 -0.867 -7.046 7.518 1.00 0.00 C ATOM 737 C GLU A 51 0.536 -7.251 8.098 1.00 0.00 C ATOM 738 O GLU A 51 0.988 -8.383 8.260 1.00 0.00 O ATOM 739 CB GLU A 51 -1.988 -7.223 8.547 1.00 0.00 C ATOM 740 CG GLU A 51 -1.816 -6.329 9.767 1.00 0.00 C ATOM 741 CD GLU A 51 -3.002 -6.439 10.717 1.00 0.00 C ATOM 742 OE1 GLU A 51 -4.140 -6.285 10.226 1.00 0.00 O ATOM 743 OE2 GLU A 51 -2.753 -6.628 11.928 1.00 0.00 O ATOM 0 H GLU A 51 -1.716 -8.791 6.783 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.901 -6.022 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.946 -7.005 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.020 -8.264 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.902 -6.603 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.701 -5.294 9.446 1.00 0.00 H new ATOM 750 N VAL A 52 1.228 -6.151 8.393 1.00 0.00 N ATOM 751 CA VAL A 52 2.518 -6.107 9.033 1.00 0.00 C ATOM 752 C VAL A 52 2.256 -5.628 10.459 1.00 0.00 C ATOM 753 O VAL A 52 1.835 -4.488 10.661 1.00 0.00 O ATOM 754 CB VAL A 52 3.402 -5.138 8.231 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.610 -4.677 9.038 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.882 -5.777 6.936 1.00 0.00 C ATOM 0 H VAL A 52 0.873 -5.220 8.174 1.00 0.00 H new ATOM 0 HA VAL A 52 3.035 -7.066 9.067 1.00 0.00 H new ATOM 0 HB VAL A 52 2.784 -4.271 7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.210 -3.994 8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.272 -4.166 9.939 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.213 -5.541 9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.505 -5.069 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.463 -6.670 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.022 -6.051 6.325 1.00 0.00 H new ATOM 766 N GLU A 53 2.497 -6.502 11.437 1.00 0.00 N ATOM 767 CA GLU A 53 2.290 -6.262 12.852 1.00 0.00 C ATOM 768 C GLU A 53 3.342 -5.329 13.474 1.00 0.00 C ATOM 769 O GLU A 53 3.986 -5.652 14.470 1.00 0.00 O ATOM 770 CB GLU A 53 2.193 -7.618 13.554 1.00 0.00 C ATOM 771 CG GLU A 53 3.417 -8.543 13.404 1.00 0.00 C ATOM 772 CD GLU A 53 3.189 -9.897 14.070 1.00 0.00 C ATOM 773 OE1 GLU A 53 2.480 -9.920 15.099 1.00 0.00 O ATOM 774 OE2 GLU A 53 3.730 -10.886 13.533 1.00 0.00 O ATOM 0 H GLU A 53 2.858 -7.437 11.248 1.00 0.00 H new ATOM 0 HA GLU A 53 1.356 -5.718 12.990 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.021 -7.444 14.616 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.317 -8.142 13.171 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.634 -8.690 12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.291 -8.064 13.845 1.00 0.00 H new ATOM 781 N GLU A 54 3.456 -4.137 12.897 1.00 0.00 N ATOM 782 CA GLU A 54 4.020 -2.966 13.549 1.00 0.00 C ATOM 783 C GLU A 54 2.864 -2.154 14.147 1.00 0.00 C ATOM 784 O GLU A 54 1.708 -2.377 13.714 1.00 0.00 O ATOM 785 CB GLU A 54 4.814 -2.114 12.547 1.00 0.00 C ATOM 786 CG GLU A 54 6.050 -2.827 11.965 1.00 0.00 C ATOM 787 CD GLU A 54 7.290 -1.942 11.974 1.00 0.00 C ATOM 788 OE1 GLU A 54 7.201 -0.849 11.369 1.00 0.00 O ATOM 789 OE2 GLU A 54 8.301 -2.359 12.573 1.00 0.00 O ATOM 790 OXT GLU A 54 3.154 -1.304 15.016 1.00 0.00 O ATOM 0 H GLU A 54 3.151 -3.957 11.941 1.00 0.00 H new ATOM 0 HA GLU A 54 4.710 -3.274 14.334 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.155 -1.824 11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.134 -1.196 13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.248 -3.731 12.540 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.838 -3.140 10.943 1.00 0.00 H new