USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 509 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 Single : A 1 GLY N :NH3+ -120:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 1.18 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0252 K(o=-0.025,f=-0.93) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.217 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc= -0.096 USER MOD Single : A 48 TYR OH : rot -46:sc= 1.13 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.29 USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= -1.02 (180deg=-2.85!) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= 0.00427 (180deg=0) USER MOD Single : A 58 MET CE :methyl -111:sc= -0.193 (180deg=-0.632) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.759 -23.055 6.501 1.00 0.00 N ATOM 2 CA GLY A 1 -4.006 -23.535 7.067 1.00 0.00 C ATOM 3 C GLY A 1 -5.136 -22.536 6.909 1.00 0.00 C ATOM 4 O GLY A 1 -4.964 -21.486 6.292 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.444 -23.706 5.753 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.903 -22.107 6.097 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.035 -23.007 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.284 -24.472 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.862 -23.752 8.125 1.00 0.00 H new ATOM 8 N SER A 2 -6.296 -22.865 7.468 1.00 0.00 N ATOM 9 CA SER A 2 -7.461 -21.992 7.383 1.00 0.00 C ATOM 10 C SER A 2 -7.766 -21.359 8.737 1.00 0.00 C ATOM 11 O SER A 2 -8.928 -21.187 9.107 1.00 0.00 O ATOM 12 CB SER A 2 -8.678 -22.777 6.888 1.00 0.00 C ATOM 13 OG SER A 2 -9.219 -22.192 5.715 1.00 0.00 O ATOM 0 H SER A 2 -6.454 -23.730 7.985 1.00 0.00 H new ATOM 0 HA SER A 2 -7.237 -21.197 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.391 -23.809 6.685 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.439 -22.805 7.668 1.00 0.00 H new ATOM 0 HG SER A 2 -9.994 -22.713 5.417 1.00 0.00 H new ATOM 19 N SER A 3 -6.715 -21.014 9.472 1.00 0.00 N ATOM 20 CA SER A 3 -6.869 -20.403 10.788 1.00 0.00 C ATOM 21 C SER A 3 -6.342 -18.971 10.787 1.00 0.00 C ATOM 22 O SER A 3 -5.139 -18.740 10.677 1.00 0.00 O ATOM 23 CB SER A 3 -6.134 -21.228 11.846 1.00 0.00 C ATOM 24 OG SER A 3 -6.593 -20.911 13.148 1.00 0.00 O ATOM 0 H SER A 3 -5.747 -21.147 9.179 1.00 0.00 H new ATOM 0 HA SER A 3 -7.932 -20.381 11.029 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.284 -22.290 11.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.062 -21.040 11.779 1.00 0.00 H new ATOM 0 HG SER A 3 -6.109 -21.452 13.806 1.00 0.00 H new ATOM 30 N GLY A 4 -7.255 -18.011 10.909 1.00 0.00 N ATOM 31 CA GLY A 4 -6.864 -16.614 10.920 1.00 0.00 C ATOM 32 C GLY A 4 -7.890 -15.720 10.251 1.00 0.00 C ATOM 33 O GLY A 4 -8.093 -15.796 9.039 1.00 0.00 O ATOM 0 H GLY A 4 -8.257 -18.176 11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.719 -16.288 11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.905 -16.504 10.413 1.00 0.00 H new ATOM 37 N SER A 5 -8.539 -14.872 11.042 1.00 0.00 N ATOM 38 CA SER A 5 -9.554 -13.964 10.519 1.00 0.00 C ATOM 39 C SER A 5 -8.994 -13.124 9.373 1.00 0.00 C ATOM 40 O SER A 5 -7.861 -12.648 9.435 1.00 0.00 O ATOM 41 CB SER A 5 -10.071 -13.048 11.631 1.00 0.00 C ATOM 42 OG SER A 5 -11.080 -13.690 12.391 1.00 0.00 O ATOM 0 H SER A 5 -8.381 -14.794 12.047 1.00 0.00 H new ATOM 0 HA SER A 5 -10.380 -14.564 10.137 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.246 -12.762 12.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.467 -12.130 11.196 1.00 0.00 H new ATOM 0 HG SER A 5 -11.393 -13.086 13.096 1.00 0.00 H new ATOM 48 N SER A 6 -9.797 -12.950 8.330 1.00 0.00 N ATOM 49 CA SER A 6 -9.382 -12.173 7.168 1.00 0.00 C ATOM 50 C SER A 6 -10.577 -11.474 6.526 1.00 0.00 C ATOM 51 O SER A 6 -11.352 -12.092 5.795 1.00 0.00 O ATOM 52 CB SER A 6 -8.693 -13.075 6.143 1.00 0.00 C ATOM 53 OG SER A 6 -9.607 -14.005 5.587 1.00 0.00 O ATOM 0 H SER A 6 -10.739 -13.336 8.265 1.00 0.00 H new ATOM 0 HA SER A 6 -8.676 -11.413 7.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.261 -12.465 5.349 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.870 -13.609 6.618 1.00 0.00 H new ATOM 0 HG SER A 6 -10.463 -13.560 5.416 1.00 0.00 H new ATOM 59 N GLY A 7 -10.720 -10.183 6.804 1.00 0.00 N ATOM 60 CA GLY A 7 -11.823 -9.421 6.247 1.00 0.00 C ATOM 61 C GLY A 7 -11.491 -7.951 6.089 1.00 0.00 C ATOM 62 O GLY A 7 -10.324 -7.581 5.949 1.00 0.00 O ATOM 0 H GLY A 7 -10.092 -9.650 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.093 -9.836 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.695 -9.526 6.892 1.00 0.00 H new ATOM 66 N VAL A 8 -12.519 -7.107 6.110 1.00 0.00 N ATOM 67 CA VAL A 8 -12.330 -5.669 5.968 1.00 0.00 C ATOM 68 C VAL A 8 -11.517 -5.103 7.127 1.00 0.00 C ATOM 69 O VAL A 8 -11.074 -3.956 7.087 1.00 0.00 O ATOM 70 CB VAL A 8 -13.680 -4.931 5.893 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.299 -5.089 4.513 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.624 -5.439 6.971 1.00 0.00 C ATOM 0 H VAL A 8 -13.491 -7.395 6.224 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.786 -5.512 5.037 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.505 -3.869 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.252 -4.561 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.627 -4.673 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.463 -6.147 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.573 -4.907 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.796 -6.506 6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.181 -5.268 7.952 1.00 0.00 H new ATOM 82 N GLY A 9 -11.325 -5.918 8.160 1.00 0.00 N ATOM 83 CA GLY A 9 -10.564 -5.482 9.317 1.00 0.00 C ATOM 84 C GLY A 9 -9.165 -5.027 8.953 1.00 0.00 C ATOM 85 O GLY A 9 -8.642 -4.076 9.534 1.00 0.00 O ATOM 0 H GLY A 9 -11.682 -6.872 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.092 -4.665 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.501 -6.299 10.036 1.00 0.00 H new ATOM 89 N THR A 10 -8.554 -5.709 7.989 1.00 0.00 N ATOM 90 CA THR A 10 -7.206 -5.371 7.551 1.00 0.00 C ATOM 91 C THR A 10 -7.183 -4.031 6.827 1.00 0.00 C ATOM 92 O THR A 10 -6.391 -3.148 7.162 1.00 0.00 O ATOM 93 CB THR A 10 -6.631 -6.456 6.619 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.619 -7.721 7.288 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.221 -6.096 6.176 1.00 0.00 C ATOM 0 H THR A 10 -8.972 -6.499 7.497 1.00 0.00 H new ATOM 0 HA THR A 10 -6.589 -5.307 8.447 1.00 0.00 H new ATOM 0 HB THR A 10 -7.267 -6.520 5.736 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.254 -8.405 6.688 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.836 -6.876 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.239 -5.147 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.576 -6.007 7.050 1.00 0.00 H new ATOM 103 N ILE A 11 -8.053 -3.883 5.835 1.00 0.00 N ATOM 104 CA ILE A 11 -8.133 -2.648 5.065 1.00 0.00 C ATOM 105 C ILE A 11 -8.310 -1.441 5.979 1.00 0.00 C ATOM 106 O ILE A 11 -7.526 -0.492 5.931 1.00 0.00 O ATOM 107 CB ILE A 11 -9.295 -2.688 4.055 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.168 -3.913 3.147 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.323 -1.410 3.230 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.402 -4.789 3.139 1.00 0.00 C ATOM 0 H ILE A 11 -8.714 -4.604 5.545 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.193 -2.554 4.521 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.233 -2.763 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.961 -3.581 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.313 -4.507 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.149 -1.453 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.456 -0.553 3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.384 -1.307 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.241 -5.638 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.598 -5.150 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.257 -4.210 2.788 1.00 0.00 H new ATOM 122 N ASP A 12 -9.342 -1.485 6.814 1.00 0.00 N ATOM 123 CA ASP A 12 -9.621 -0.396 7.743 1.00 0.00 C ATOM 124 C ASP A 12 -8.331 0.129 8.368 1.00 0.00 C ATOM 125 O ASP A 12 -8.220 1.314 8.679 1.00 0.00 O ATOM 126 CB ASP A 12 -10.579 -0.864 8.840 1.00 0.00 C ATOM 127 CG ASP A 12 -11.456 0.257 9.361 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.916 1.183 10.001 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.683 0.208 9.128 1.00 0.00 O ATOM 0 H ASP A 12 -9.999 -2.263 6.867 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.090 0.414 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.210 -1.663 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.004 -1.285 9.665 1.00 0.00 H new ATOM 134 N GLN A 13 -7.362 -0.762 8.549 1.00 0.00 N ATOM 135 CA GLN A 13 -6.081 -0.388 9.138 1.00 0.00 C ATOM 136 C GLN A 13 -5.101 0.070 8.064 1.00 0.00 C ATOM 137 O GLN A 13 -4.317 0.996 8.278 1.00 0.00 O ATOM 138 CB GLN A 13 -5.490 -1.567 9.914 1.00 0.00 C ATOM 139 CG GLN A 13 -6.236 -1.882 11.202 1.00 0.00 C ATOM 140 CD GLN A 13 -6.034 -3.314 11.656 1.00 0.00 C ATOM 141 OE1 GLN A 13 -6.171 -4.252 10.870 1.00 0.00 O ATOM 142 NE2 GLN A 13 -5.709 -3.491 12.931 1.00 0.00 N ATOM 0 H GLN A 13 -7.439 -1.747 8.297 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.253 0.441 9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.495 -2.451 9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.448 -1.350 10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.900 -1.205 11.987 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.300 -1.698 11.056 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.606 -2.685 13.548 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.563 -4.433 13.294 1.00 0.00 H new ATOM 151 N LEU A 14 -5.150 -0.582 6.908 1.00 0.00 N ATOM 152 CA LEU A 14 -4.266 -0.240 5.798 1.00 0.00 C ATOM 153 C LEU A 14 -4.554 1.168 5.285 1.00 0.00 C ATOM 154 O LEU A 14 -3.663 2.016 5.238 1.00 0.00 O ATOM 155 CB LEU A 14 -4.427 -1.252 4.662 1.00 0.00 C ATOM 156 CG LEU A 14 -3.786 -0.870 3.328 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.277 -0.751 3.476 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.138 -1.890 2.255 1.00 0.00 C ATOM 0 H LEU A 14 -5.792 -1.350 6.714 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.239 -0.271 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.004 -2.203 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.492 -1.417 4.497 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.179 0.100 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.838 -0.478 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.043 0.017 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.867 -1.706 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.673 -1.602 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.773 -2.873 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.220 -1.927 2.129 1.00 0.00 H new ATOM 170 N VAL A 15 -5.804 1.409 4.905 1.00 0.00 N ATOM 171 CA VAL A 15 -6.210 2.715 4.399 1.00 0.00 C ATOM 172 C VAL A 15 -5.634 3.839 5.254 1.00 0.00 C ATOM 173 O VAL A 15 -5.113 4.825 4.733 1.00 0.00 O ATOM 174 CB VAL A 15 -7.744 2.849 4.361 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.150 4.311 4.254 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.320 2.043 3.207 1.00 0.00 C ATOM 0 H VAL A 15 -6.553 0.718 4.938 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.820 2.797 3.385 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.149 2.451 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.237 4.386 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.769 4.859 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.735 4.738 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.405 2.149 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.909 2.410 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.059 0.992 3.332 1.00 0.00 H new ATOM 186 N LYS A 16 -5.730 3.683 6.569 1.00 0.00 N ATOM 187 CA LYS A 16 -5.217 4.682 7.499 1.00 0.00 C ATOM 188 C LYS A 16 -3.728 4.925 7.269 1.00 0.00 C ATOM 189 O LYS A 16 -3.246 6.050 7.398 1.00 0.00 O ATOM 190 CB LYS A 16 -5.455 4.237 8.943 1.00 0.00 C ATOM 191 CG LYS A 16 -4.214 3.683 9.621 1.00 0.00 C ATOM 192 CD LYS A 16 -4.561 2.940 10.900 1.00 0.00 C ATOM 193 CE LYS A 16 -3.615 3.306 12.032 1.00 0.00 C ATOM 194 NZ LYS A 16 -4.316 4.030 13.129 1.00 0.00 N ATOM 0 H LYS A 16 -6.159 2.873 7.016 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.752 5.615 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.826 5.085 9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.236 3.477 8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.695 3.010 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.528 4.499 9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.585 3.173 11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.517 1.866 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.157 2.400 12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.808 3.928 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.637 4.262 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.732 4.907 12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.070 3.427 13.517 1.00 0.00 H new ATOM 208 N ARG A 17 -3.006 3.863 6.927 1.00 0.00 N ATOM 209 CA ARG A 17 -1.573 3.961 6.679 1.00 0.00 C ATOM 210 C ARG A 17 -1.291 4.832 5.458 1.00 0.00 C ATOM 211 O ARG A 17 -0.551 5.812 5.540 1.00 0.00 O ATOM 212 CB ARG A 17 -0.972 2.569 6.476 1.00 0.00 C ATOM 213 CG ARG A 17 -1.283 1.600 7.605 1.00 0.00 C ATOM 214 CD ARG A 17 -0.281 0.457 7.651 1.00 0.00 C ATOM 215 NE ARG A 17 -0.218 -0.163 8.972 1.00 0.00 N ATOM 216 CZ ARG A 17 -1.051 -1.114 9.377 1.00 0.00 C ATOM 217 NH1 ARG A 17 -2.006 -1.553 8.570 1.00 0.00 N ATOM 218 NH2 ARG A 17 -0.929 -1.629 10.595 1.00 0.00 N ATOM 0 H ARG A 17 -3.390 2.925 6.815 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.110 4.425 7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.346 2.154 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.109 2.661 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.273 2.133 8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.288 1.199 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.554 -0.295 6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.706 0.829 7.378 1.00 0.00 H new ATOM 0 HE ARG A 17 0.505 0.152 9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.103 -1.160 7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.644 -2.284 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.195 -1.294 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.569 -2.360 10.906 1.00 0.00 H new ATOM 232 N VAL A 18 -1.884 4.466 4.327 1.00 0.00 N ATOM 233 CA VAL A 18 -1.697 5.214 3.089 1.00 0.00 C ATOM 234 C VAL A 18 -2.099 6.674 3.264 1.00 0.00 C ATOM 235 O VAL A 18 -1.659 7.542 2.510 1.00 0.00 O ATOM 236 CB VAL A 18 -2.514 4.602 1.935 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.958 3.239 1.550 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.982 4.499 2.319 1.00 0.00 C ATOM 0 H VAL A 18 -2.498 3.656 4.242 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.637 5.159 2.842 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.433 5.258 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.548 2.823 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.921 3.346 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.006 2.571 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.545 4.065 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.084 3.865 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.371 5.493 2.540 1.00 0.00 H new ATOM 248 N ILE A 19 -2.936 6.936 4.261 1.00 0.00 N ATOM 249 CA ILE A 19 -3.396 8.293 4.535 1.00 0.00 C ATOM 250 C ILE A 19 -2.380 9.058 5.377 1.00 0.00 C ATOM 251 O ILE A 19 -1.868 10.095 4.956 1.00 0.00 O ATOM 252 CB ILE A 19 -4.752 8.290 5.264 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.813 7.593 4.410 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.180 9.713 5.592 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.529 8.524 3.457 1.00 0.00 C ATOM 0 H ILE A 19 -3.310 6.228 4.893 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.512 8.788 3.571 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.644 7.739 6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.340 6.794 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.546 7.124 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.140 9.694 6.107 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.433 10.179 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.274 10.286 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.266 7.962 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.031 9.309 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.806 8.973 2.776 1.00 0.00 H new ATOM 267 N GLU A 20 -2.092 8.537 6.565 1.00 0.00 N ATOM 268 CA GLU A 20 -1.137 9.172 7.465 1.00 0.00 C ATOM 269 C GLU A 20 0.277 9.102 6.894 1.00 0.00 C ATOM 270 O GLU A 20 1.153 9.876 7.280 1.00 0.00 O ATOM 271 CB GLU A 20 -1.176 8.502 8.841 1.00 0.00 C ATOM 272 CG GLU A 20 -2.565 8.049 9.258 1.00 0.00 C ATOM 273 CD GLU A 20 -3.017 8.675 10.562 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.265 8.585 11.556 1.00 0.00 O ATOM 275 OE2 GLU A 20 -4.122 9.256 10.590 1.00 0.00 O ATOM 0 H GLU A 20 -2.506 7.678 6.926 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.417 10.220 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.508 7.640 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.791 9.198 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.277 8.302 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.574 6.964 9.358 1.00 0.00 H new ATOM 282 N GLY A 21 0.492 8.168 5.973 1.00 0.00 N ATOM 283 CA GLY A 21 1.799 8.013 5.365 1.00 0.00 C ATOM 284 C GLY A 21 2.725 7.141 6.190 1.00 0.00 C ATOM 285 O GLY A 21 3.867 6.894 5.803 1.00 0.00 O ATOM 0 H GLY A 21 -0.217 7.516 5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.685 7.578 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.253 8.995 5.232 1.00 0.00 H new ATOM 289 N SER A 22 2.232 6.676 7.334 1.00 0.00 N ATOM 290 CA SER A 22 3.025 5.832 8.221 1.00 0.00 C ATOM 291 C SER A 22 3.821 4.804 7.423 1.00 0.00 C ATOM 292 O SER A 22 4.848 4.303 7.883 1.00 0.00 O ATOM 293 CB SER A 22 2.118 5.123 9.229 1.00 0.00 C ATOM 294 OG SER A 22 2.832 4.131 9.947 1.00 0.00 O ATOM 0 H SER A 22 1.288 6.869 7.668 1.00 0.00 H new ATOM 0 HA SER A 22 3.726 6.469 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.703 5.852 9.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.277 4.665 8.708 1.00 0.00 H new ATOM 0 HG SER A 22 2.231 3.693 10.586 1.00 0.00 H new ATOM 300 N LEU A 23 3.338 4.491 6.225 1.00 0.00 N ATOM 301 CA LEU A 23 4.004 3.522 5.362 1.00 0.00 C ATOM 302 C LEU A 23 4.692 4.218 4.191 1.00 0.00 C ATOM 303 O LEU A 23 4.203 5.225 3.679 1.00 0.00 O ATOM 304 CB LEU A 23 2.995 2.498 4.840 1.00 0.00 C ATOM 305 CG LEU A 23 2.337 2.827 3.499 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.840 1.559 2.822 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.195 3.813 3.693 1.00 0.00 C ATOM 0 H LEU A 23 2.488 4.894 5.830 1.00 0.00 H new ATOM 0 HA LEU A 23 4.763 3.008 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.499 1.536 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.210 2.377 5.587 1.00 0.00 H new ATOM 0 HG LEU A 23 3.084 3.289 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.375 1.813 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.680 0.886 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.108 1.067 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.739 4.036 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.447 3.378 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.579 4.733 4.133 1.00 0.00 H new ATOM 319 N SER A 24 5.829 3.673 3.771 1.00 0.00 N ATOM 320 CA SER A 24 6.585 4.241 2.662 1.00 0.00 C ATOM 321 C SER A 24 5.741 4.280 1.392 1.00 0.00 C ATOM 322 O SER A 24 4.725 3.596 1.270 1.00 0.00 O ATOM 323 CB SER A 24 7.859 3.430 2.417 1.00 0.00 C ATOM 324 OG SER A 24 9.014 4.181 2.745 1.00 0.00 O ATOM 0 H SER A 24 6.247 2.838 4.182 1.00 0.00 H new ATOM 0 HA SER A 24 6.858 5.262 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.833 2.518 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.904 3.126 1.371 1.00 0.00 H new ATOM 0 HG SER A 24 9.814 3.639 2.581 1.00 0.00 H new ATOM 330 N PRO A 25 6.171 5.100 0.421 1.00 0.00 N ATOM 331 CA PRO A 25 5.470 5.248 -0.858 1.00 0.00 C ATOM 332 C PRO A 25 5.581 4.000 -1.728 1.00 0.00 C ATOM 333 O PRO A 25 4.659 3.664 -2.470 1.00 0.00 O ATOM 334 CB PRO A 25 6.187 6.427 -1.520 1.00 0.00 C ATOM 335 CG PRO A 25 7.548 6.432 -0.914 1.00 0.00 C ATOM 336 CD PRO A 25 7.375 5.945 0.498 1.00 0.00 C ATOM 0 HA PRO A 25 4.400 5.404 -0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.236 6.304 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.665 7.365 -1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.225 5.784 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.979 7.433 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.243 5.379 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.242 6.772 1.195 1.00 0.00 H new ATOM 344 N LYS A 26 6.717 3.317 -1.632 1.00 0.00 N ATOM 345 CA LYS A 26 6.948 2.105 -2.408 1.00 0.00 C ATOM 346 C LYS A 26 6.181 0.926 -1.819 1.00 0.00 C ATOM 347 O LYS A 26 5.673 0.077 -2.552 1.00 0.00 O ATOM 348 CB LYS A 26 8.444 1.782 -2.454 1.00 0.00 C ATOM 349 CG LYS A 26 8.824 0.814 -3.561 1.00 0.00 C ATOM 350 CD LYS A 26 8.830 1.495 -4.919 1.00 0.00 C ATOM 351 CE LYS A 26 9.417 0.591 -5.992 1.00 0.00 C ATOM 352 NZ LYS A 26 9.369 1.225 -7.339 1.00 0.00 N ATOM 0 H LYS A 26 7.492 3.583 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 26 6.588 2.279 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.003 2.708 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.746 1.361 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.810 0.397 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.122 -0.019 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.812 1.773 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.408 2.417 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.450 0.352 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.868 -0.350 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.778 0.577 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.381 1.430 -7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.914 2.111 -7.325 1.00 0.00 H new ATOM 366 N GLU A 27 6.100 0.882 -0.493 1.00 0.00 N ATOM 367 CA GLU A 27 5.392 -0.193 0.192 1.00 0.00 C ATOM 368 C GLU A 27 3.991 -0.376 -0.383 1.00 0.00 C ATOM 369 O GLU A 27 3.514 -1.500 -0.537 1.00 0.00 O ATOM 370 CB GLU A 27 5.306 0.098 1.693 1.00 0.00 C ATOM 371 CG GLU A 27 6.273 -0.725 2.529 1.00 0.00 C ATOM 372 CD GLU A 27 5.665 -2.028 3.009 1.00 0.00 C ATOM 373 OE1 GLU A 27 5.593 -2.980 2.204 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.260 -2.096 4.188 1.00 0.00 O ATOM 0 H GLU A 27 6.515 1.577 0.127 1.00 0.00 H new ATOM 0 HA GLU A 27 5.951 -1.116 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.504 1.157 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.289 -0.095 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.165 -0.940 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.593 -0.139 3.390 1.00 0.00 H new ATOM 381 N ARG A 28 3.337 0.737 -0.697 1.00 0.00 N ATOM 382 CA ARG A 28 1.990 0.701 -1.253 1.00 0.00 C ATOM 383 C ARG A 28 1.954 -0.119 -2.539 1.00 0.00 C ATOM 384 O ARG A 28 1.163 -1.054 -2.671 1.00 0.00 O ATOM 385 CB ARG A 28 1.489 2.120 -1.527 1.00 0.00 C ATOM 386 CG ARG A 28 1.150 2.901 -0.267 1.00 0.00 C ATOM 387 CD ARG A 28 0.396 4.181 -0.591 1.00 0.00 C ATOM 388 NE ARG A 28 -0.788 3.926 -1.407 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.429 4.872 -2.088 1.00 0.00 C ATOM 390 NH1 ARG A 28 -1.001 6.125 -2.048 1.00 0.00 N ATOM 391 NH2 ARG A 28 -2.500 4.562 -2.808 1.00 0.00 N ATOM 0 H ARG A 28 3.718 1.675 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 28 1.336 0.227 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.250 2.663 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.604 2.068 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.547 2.280 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.067 3.144 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.099 4.671 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.058 4.869 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.143 2.971 -1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.179 6.366 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.494 6.849 -2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.832 3.598 -2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.991 5.288 -3.330 1.00 0.00 H new ATOM 405 N THR A 29 2.817 0.236 -3.485 1.00 0.00 N ATOM 406 CA THR A 29 2.884 -0.466 -4.761 1.00 0.00 C ATOM 407 C THR A 29 3.159 -1.951 -4.558 1.00 0.00 C ATOM 408 O THR A 29 2.771 -2.784 -5.379 1.00 0.00 O ATOM 409 CB THR A 29 3.975 0.127 -5.672 1.00 0.00 C ATOM 410 OG1 THR A 29 3.524 1.363 -6.236 1.00 0.00 O ATOM 411 CG2 THR A 29 4.336 -0.843 -6.787 1.00 0.00 C ATOM 0 H THR A 29 3.480 1.006 -3.392 1.00 0.00 H new ATOM 0 HA THR A 29 1.913 -0.342 -5.241 1.00 0.00 H new ATOM 0 HB THR A 29 4.864 0.307 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.224 1.734 -6.812 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.108 -0.402 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.707 -1.772 -6.355 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.451 -1.051 -7.389 1.00 0.00 H new ATOM 419 N LEU A 30 3.831 -2.279 -3.460 1.00 0.00 N ATOM 420 CA LEU A 30 4.158 -3.666 -3.148 1.00 0.00 C ATOM 421 C LEU A 30 2.945 -4.397 -2.581 1.00 0.00 C ATOM 422 O LEU A 30 2.780 -5.600 -2.785 1.00 0.00 O ATOM 423 CB LEU A 30 5.316 -3.725 -2.151 1.00 0.00 C ATOM 424 CG LEU A 30 6.631 -3.094 -2.610 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.610 -2.995 -1.450 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.236 -3.895 -3.754 1.00 0.00 C ATOM 0 H LEU A 30 4.160 -1.603 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 30 4.457 -4.160 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.002 -3.233 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.504 -4.770 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 30 6.422 -2.086 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.540 -2.544 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.179 -2.378 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.814 -3.992 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.171 -3.432 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.430 -4.915 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.541 -3.913 -4.593 1.00 0.00 H new ATOM 438 N LEU A 31 2.098 -3.662 -1.868 1.00 0.00 N ATOM 439 CA LEU A 31 0.898 -4.240 -1.273 1.00 0.00 C ATOM 440 C LEU A 31 0.163 -5.123 -2.277 1.00 0.00 C ATOM 441 O LEU A 31 -0.369 -6.174 -1.921 1.00 0.00 O ATOM 442 CB LEU A 31 -0.031 -3.132 -0.775 1.00 0.00 C ATOM 443 CG LEU A 31 0.498 -2.280 0.379 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.500 -1.191 0.741 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.801 -3.151 1.590 1.00 0.00 C ATOM 0 H LEU A 31 2.220 -2.665 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 31 1.202 -4.858 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.258 -2.472 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.971 -3.587 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 31 1.424 -1.803 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.106 -0.595 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.668 -0.549 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.443 -1.647 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.177 -2.528 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.110 -3.656 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.553 -3.894 1.325 1.00 0.00 H new ATOM 457 N LYS A 32 0.140 -4.690 -3.532 1.00 0.00 N ATOM 458 CA LYS A 32 -0.526 -5.441 -4.589 1.00 0.00 C ATOM 459 C LYS A 32 0.159 -6.785 -4.816 1.00 0.00 C ATOM 460 O LYS A 32 -0.492 -7.775 -5.149 1.00 0.00 O ATOM 461 CB LYS A 32 -0.533 -4.635 -5.890 1.00 0.00 C ATOM 462 CG LYS A 32 -0.909 -3.176 -5.699 1.00 0.00 C ATOM 463 CD LYS A 32 -1.917 -2.718 -6.739 1.00 0.00 C ATOM 464 CE LYS A 32 -2.332 -1.272 -6.515 1.00 0.00 C ATOM 465 NZ LYS A 32 -2.052 -0.424 -7.706 1.00 0.00 N ATOM 0 H LYS A 32 0.576 -3.822 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.554 -5.624 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.455 -4.690 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.233 -5.094 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.325 -3.034 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.014 -2.558 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.487 -2.824 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.797 -3.360 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.396 -1.231 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.801 -0.872 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.349 0.554 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.033 -0.442 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.578 -0.791 -8.525 1.00 0.00 H new ATOM 479 N GLU A 33 1.475 -6.812 -4.632 1.00 0.00 N ATOM 480 CA GLU A 33 2.248 -8.035 -4.816 1.00 0.00 C ATOM 481 C GLU A 33 1.916 -9.056 -3.731 1.00 0.00 C ATOM 482 O GLU A 33 2.161 -10.251 -3.892 1.00 0.00 O ATOM 483 CB GLU A 33 3.746 -7.726 -4.799 1.00 0.00 C ATOM 484 CG GLU A 33 4.152 -6.628 -5.768 1.00 0.00 C ATOM 485 CD GLU A 33 5.633 -6.656 -6.094 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.441 -6.869 -5.166 1.00 0.00 O ATOM 487 OE2 GLU A 33 5.983 -6.464 -7.276 1.00 0.00 O ATOM 0 H GLU A 33 2.028 -6.001 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 33 1.983 -8.459 -5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.037 -7.434 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.299 -8.634 -5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.579 -6.732 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.896 -5.658 -5.341 1.00 0.00 H new ATOM 494 N ASP A 34 1.357 -8.575 -2.626 1.00 0.00 N ATOM 495 CA ASP A 34 0.991 -9.444 -1.514 1.00 0.00 C ATOM 496 C ASP A 34 -0.388 -10.059 -1.736 1.00 0.00 C ATOM 497 O ASP A 34 -1.297 -9.427 -2.274 1.00 0.00 O ATOM 498 CB ASP A 34 1.008 -8.662 -0.200 1.00 0.00 C ATOM 499 CG ASP A 34 1.703 -9.419 0.916 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.606 -10.228 0.612 1.00 0.00 O ATOM 501 OD2 ASP A 34 1.346 -9.202 2.091 1.00 0.00 O ATOM 0 H ASP A 34 1.147 -7.588 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 34 1.724 -10.249 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.511 -7.707 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.016 -8.438 0.099 1.00 0.00 H new ATOM 506 N PRO A 35 -0.548 -11.322 -1.313 1.00 0.00 N ATOM 507 CA PRO A 35 -1.813 -12.050 -1.455 1.00 0.00 C ATOM 508 C PRO A 35 -2.904 -11.501 -0.542 1.00 0.00 C ATOM 509 O PRO A 35 -4.088 -11.555 -0.871 1.00 0.00 O ATOM 510 CB PRO A 35 -1.446 -13.480 -1.051 1.00 0.00 C ATOM 511 CG PRO A 35 -0.268 -13.329 -0.152 1.00 0.00 C ATOM 512 CD PRO A 35 0.491 -12.136 -0.661 1.00 0.00 C ATOM 0 HA PRO A 35 -2.220 -11.968 -2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.274 -13.972 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.203 -14.088 -1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.582 -13.180 0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.354 -14.224 -0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.977 -11.593 0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.273 -12.427 -1.363 1.00 0.00 H new ATOM 520 N ALA A 36 -2.497 -10.973 0.608 1.00 0.00 N ATOM 521 CA ALA A 36 -3.439 -10.412 1.568 1.00 0.00 C ATOM 522 C ALA A 36 -4.207 -9.241 0.963 1.00 0.00 C ATOM 523 O ALA A 36 -5.335 -8.953 1.364 1.00 0.00 O ATOM 524 CB ALA A 36 -2.710 -9.972 2.828 1.00 0.00 C ATOM 0 H ALA A 36 -1.520 -10.922 0.897 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.158 -11.188 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.426 -9.555 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.212 -10.830 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.968 -9.215 2.574 1.00 0.00 H new ATOM 530 N TYR A 37 -3.589 -8.569 -0.003 1.00 0.00 N ATOM 531 CA TYR A 37 -4.214 -7.429 -0.660 1.00 0.00 C ATOM 532 C TYR A 37 -4.502 -7.735 -2.126 1.00 0.00 C ATOM 533 O TYR A 37 -4.096 -6.991 -3.019 1.00 0.00 O ATOM 534 CB TYR A 37 -3.313 -6.196 -0.552 1.00 0.00 C ATOM 535 CG TYR A 37 -2.939 -5.842 0.868 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.885 -5.338 1.752 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.639 -6.011 1.328 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.546 -5.013 3.051 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.291 -5.689 2.625 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.249 -5.191 3.484 1.00 0.00 C ATOM 541 OH TYR A 37 -1.907 -4.868 4.776 1.00 0.00 O ATOM 0 H TYR A 37 -2.656 -8.795 -0.347 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.160 -7.226 -0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.403 -6.370 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.819 -5.345 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.902 -5.198 1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.887 -6.401 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.294 -4.621 3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.275 -5.826 2.965 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.956 -5.055 4.919 1.00 0.00 H new ATOM 551 N TRP A 38 -5.206 -8.836 -2.366 1.00 0.00 N ATOM 552 CA TRP A 38 -5.550 -9.242 -3.724 1.00 0.00 C ATOM 553 C TRP A 38 -6.725 -8.427 -4.254 1.00 0.00 C ATOM 554 O TRP A 38 -6.808 -8.145 -5.450 1.00 0.00 O ATOM 555 CB TRP A 38 -5.890 -10.733 -3.762 1.00 0.00 C ATOM 556 CG TRP A 38 -7.088 -11.090 -2.936 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.093 -11.734 -1.732 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.459 -10.824 -3.255 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.383 -11.886 -1.284 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.240 -11.335 -2.200 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.103 -10.204 -4.329 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.629 -11.244 -2.189 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.482 -10.114 -4.318 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.232 -10.632 -3.254 1.00 0.00 C ATOM 0 H TRP A 38 -5.549 -9.463 -1.638 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.686 -9.057 -4.362 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.068 -11.032 -4.795 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.031 -11.303 -3.409 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.212 -12.074 -1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.658 -12.336 -0.411 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.533 -9.802 -5.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.210 -11.642 -1.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.990 -9.637 -5.143 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.308 -10.546 -3.275 1.00 0.00 H new ATOM 575 N PHE A 39 -7.631 -8.050 -3.359 1.00 0.00 N ATOM 576 CA PHE A 39 -8.802 -7.268 -3.738 1.00 0.00 C ATOM 577 C PHE A 39 -8.391 -5.999 -4.480 1.00 0.00 C ATOM 578 O PHE A 39 -9.085 -5.546 -5.390 1.00 0.00 O ATOM 579 CB PHE A 39 -9.622 -6.904 -2.499 1.00 0.00 C ATOM 580 CG PHE A 39 -8.833 -6.177 -1.449 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.699 -4.799 -1.496 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.223 -6.870 -0.416 1.00 0.00 C ATOM 583 CE1 PHE A 39 -7.973 -4.125 -0.532 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.496 -6.202 0.551 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.370 -4.828 0.493 1.00 0.00 C ATOM 0 H PHE A 39 -7.577 -8.273 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.414 -7.876 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.466 -6.284 -2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.034 -7.815 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.168 -4.245 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.317 -7.945 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.877 -3.050 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.027 -6.754 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.801 -4.304 1.247 1.00 0.00 H new ATOM 595 N LEU A 40 -7.258 -5.430 -4.083 1.00 0.00 N ATOM 596 CA LEU A 40 -6.754 -4.213 -4.709 1.00 0.00 C ATOM 597 C LEU A 40 -6.999 -4.233 -6.215 1.00 0.00 C ATOM 598 O LEU A 40 -7.457 -3.246 -6.792 1.00 0.00 O ATOM 599 CB LEU A 40 -5.259 -4.053 -4.426 1.00 0.00 C ATOM 600 CG LEU A 40 -4.875 -3.781 -2.971 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.365 -3.830 -2.799 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.423 -2.436 -2.518 1.00 0.00 C ATOM 0 H LEU A 40 -6.671 -5.792 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.291 -3.365 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.749 -4.960 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.879 -3.236 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.316 -4.559 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.111 -3.634 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.998 -4.817 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.902 -3.075 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.140 -2.259 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.012 -1.646 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.510 -2.439 -2.603 1.00 0.00 H new ATOM 614 N SER A 41 -6.693 -5.362 -6.844 1.00 0.00 N ATOM 615 CA SER A 41 -6.879 -5.510 -8.282 1.00 0.00 C ATOM 616 C SER A 41 -8.363 -5.587 -8.633 1.00 0.00 C ATOM 617 O SER A 41 -8.805 -5.020 -9.633 1.00 0.00 O ATOM 618 CB SER A 41 -6.160 -6.763 -8.785 1.00 0.00 C ATOM 619 OG SER A 41 -4.857 -6.451 -9.248 1.00 0.00 O ATOM 0 H SER A 41 -6.315 -6.188 -6.380 1.00 0.00 H new ATOM 0 HA SER A 41 -6.452 -4.634 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.098 -7.498 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.736 -7.219 -9.590 1.00 0.00 H new ATOM 0 HG SER A 41 -4.417 -7.268 -9.563 1.00 0.00 H new ATOM 625 N ASP A 42 -9.124 -6.292 -7.805 1.00 0.00 N ATOM 626 CA ASP A 42 -10.558 -6.443 -8.025 1.00 0.00 C ATOM 627 C ASP A 42 -11.304 -5.167 -7.645 1.00 0.00 C ATOM 628 O ASP A 42 -10.821 -4.373 -6.838 1.00 0.00 O ATOM 629 CB ASP A 42 -11.098 -7.624 -7.218 1.00 0.00 C ATOM 630 CG ASP A 42 -12.200 -8.367 -7.946 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.949 -7.720 -8.708 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.313 -9.596 -7.755 1.00 0.00 O ATOM 0 H ASP A 42 -8.772 -6.769 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.719 -6.634 -9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.283 -8.313 -6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.477 -7.264 -6.262 1.00 0.00 H new ATOM 637 N GLU A 43 -12.481 -4.978 -8.233 1.00 0.00 N ATOM 638 CA GLU A 43 -13.291 -3.799 -7.956 1.00 0.00 C ATOM 639 C GLU A 43 -14.693 -4.195 -7.502 1.00 0.00 C ATOM 640 O GLU A 43 -15.270 -3.569 -6.615 1.00 0.00 O ATOM 641 CB GLU A 43 -13.378 -2.909 -9.198 1.00 0.00 C ATOM 642 CG GLU A 43 -12.170 -2.006 -9.386 1.00 0.00 C ATOM 643 CD GLU A 43 -12.523 -0.691 -10.054 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.085 -0.724 -11.168 1.00 0.00 O ATOM 645 OE2 GLU A 43 -12.238 0.371 -9.461 1.00 0.00 O ATOM 0 H GLU A 43 -12.894 -5.626 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.811 -3.242 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.490 -3.540 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.275 -2.293 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.716 -1.806 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.423 -2.525 -9.986 1.00 0.00 H new ATOM 652 N ASN A 44 -15.235 -5.240 -8.119 1.00 0.00 N ATOM 653 CA ASN A 44 -16.570 -5.721 -7.781 1.00 0.00 C ATOM 654 C ASN A 44 -16.528 -6.615 -6.545 1.00 0.00 C ATOM 655 O ASN A 44 -17.057 -7.727 -6.554 1.00 0.00 O ATOM 656 CB ASN A 44 -17.173 -6.486 -8.960 1.00 0.00 C ATOM 657 CG ASN A 44 -18.647 -6.783 -8.763 1.00 0.00 C ATOM 658 OD1 ASN A 44 -19.306 -6.176 -7.919 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.171 -7.721 -9.544 1.00 0.00 N ATOM 0 H ASN A 44 -14.770 -5.770 -8.856 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.197 -4.857 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -17.041 -5.905 -9.873 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -16.632 -7.422 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.158 -7.964 -9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -18.587 -8.198 -10.230 1.00 0.00 H new ATOM 666 N SER A 45 -15.898 -6.121 -5.485 1.00 0.00 N ATOM 667 CA SER A 45 -15.785 -6.877 -4.243 1.00 0.00 C ATOM 668 C SER A 45 -16.045 -5.980 -3.036 1.00 0.00 C ATOM 669 O SER A 45 -16.324 -4.788 -3.181 1.00 0.00 O ATOM 670 CB SER A 45 -14.398 -7.511 -4.132 1.00 0.00 C ATOM 671 OG SER A 45 -13.379 -6.531 -4.227 1.00 0.00 O ATOM 0 H SER A 45 -15.458 -5.201 -5.461 1.00 0.00 H new ATOM 0 HA SER A 45 -16.537 -7.666 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.311 -8.039 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.269 -8.251 -4.921 1.00 0.00 H new ATOM 0 HG SER A 45 -12.502 -6.962 -4.151 1.00 0.00 H new ATOM 677 N LEU A 46 -15.950 -6.560 -1.845 1.00 0.00 N ATOM 678 CA LEU A 46 -16.175 -5.815 -0.611 1.00 0.00 C ATOM 679 C LEU A 46 -14.859 -5.288 -0.046 1.00 0.00 C ATOM 680 O LEU A 46 -14.769 -4.132 0.366 1.00 0.00 O ATOM 681 CB LEU A 46 -16.868 -6.702 0.425 1.00 0.00 C ATOM 682 CG LEU A 46 -16.557 -6.393 1.890 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.234 -7.023 2.298 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.529 -4.889 2.124 1.00 0.00 C ATOM 0 H LEU A 46 -15.719 -7.544 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.818 -4.965 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.945 -6.623 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.595 -7.738 0.227 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.346 -6.821 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.029 -6.793 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.290 -8.104 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.434 -6.624 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.306 -4.688 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.761 -4.437 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.500 -4.463 1.871 1.00 0.00 H new ATOM 696 N GLU A 47 -13.842 -6.144 -0.032 1.00 0.00 N ATOM 697 CA GLU A 47 -12.531 -5.763 0.481 1.00 0.00 C ATOM 698 C GLU A 47 -11.979 -4.559 -0.278 1.00 0.00 C ATOM 699 O GLU A 47 -11.250 -3.740 0.283 1.00 0.00 O ATOM 700 CB GLU A 47 -11.557 -6.937 0.374 1.00 0.00 C ATOM 701 CG GLU A 47 -11.944 -8.131 1.231 1.00 0.00 C ATOM 702 CD GLU A 47 -10.754 -8.762 1.926 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.925 -8.012 2.482 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.652 -10.007 1.913 1.00 0.00 O ATOM 0 H GLU A 47 -13.900 -7.105 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.645 -5.489 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.495 -7.253 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.562 -6.600 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.671 -7.816 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.433 -8.878 0.606 1.00 0.00 H new ATOM 711 N TYR A 48 -12.331 -4.460 -1.554 1.00 0.00 N ATOM 712 CA TYR A 48 -11.869 -3.358 -2.390 1.00 0.00 C ATOM 713 C TYR A 48 -12.744 -2.122 -2.196 1.00 0.00 C ATOM 714 O TYR A 48 -12.298 -0.993 -2.404 1.00 0.00 O ATOM 715 CB TYR A 48 -11.874 -3.772 -3.863 1.00 0.00 C ATOM 716 CG TYR A 48 -11.472 -2.660 -4.805 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.416 -1.772 -5.307 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.148 -2.498 -5.196 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.053 -0.755 -6.168 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.776 -1.483 -6.056 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.732 -0.614 -6.540 1.00 0.00 C ATOM 722 OH TYR A 48 -10.366 0.397 -7.398 1.00 0.00 O ATOM 0 H TYR A 48 -12.934 -5.129 -2.033 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.850 -3.111 -2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.195 -4.614 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.871 -4.121 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.451 -1.879 -5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.397 -3.178 -4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.800 -0.073 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.742 -1.370 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.995 0.433 -8.149 1.00 0.00 H new ATOM 732 N LYS A 49 -13.990 -2.345 -1.793 1.00 0.00 N ATOM 733 CA LYS A 49 -14.928 -1.252 -1.567 1.00 0.00 C ATOM 734 C LYS A 49 -14.460 -0.361 -0.422 1.00 0.00 C ATOM 735 O LYS A 49 -14.836 0.809 -0.338 1.00 0.00 O ATOM 736 CB LYS A 49 -16.322 -1.804 -1.261 1.00 0.00 C ATOM 737 CG LYS A 49 -17.334 -1.547 -2.364 1.00 0.00 C ATOM 738 CD LYS A 49 -18.292 -2.715 -2.524 1.00 0.00 C ATOM 739 CE LYS A 49 -18.590 -2.994 -3.989 1.00 0.00 C ATOM 740 NZ LYS A 49 -20.008 -3.399 -4.200 1.00 0.00 N ATOM 0 H LYS A 49 -14.374 -3.273 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.973 -0.652 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.249 -2.878 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.685 -1.358 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.897 -0.641 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.812 -1.372 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.863 -3.605 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.222 -2.500 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.375 -2.103 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.930 -3.782 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.171 -3.580 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.207 -4.264 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.638 -2.636 -3.879 1.00 0.00 H new ATOM 754 N TYR A 50 -13.636 -0.921 0.458 1.00 0.00 N ATOM 755 CA TYR A 50 -13.116 -0.176 1.599 1.00 0.00 C ATOM 756 C TYR A 50 -11.873 0.619 1.211 1.00 0.00 C ATOM 757 O TYR A 50 -11.787 1.821 1.463 1.00 0.00 O ATOM 758 CB TYR A 50 -12.787 -1.129 2.749 1.00 0.00 C ATOM 759 CG TYR A 50 -14.002 -1.575 3.531 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.173 -1.949 2.883 1.00 0.00 C ATOM 761 CD2 TYR A 50 -13.979 -1.624 4.920 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.284 -2.357 3.593 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.086 -2.031 5.640 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.236 -2.396 4.972 1.00 0.00 C ATOM 765 OH TYR A 50 -17.341 -2.803 5.684 1.00 0.00 O ATOM 0 H TYR A 50 -13.314 -1.887 0.403 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.885 0.524 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.280 -2.007 2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.088 -0.639 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.214 -1.920 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.080 -1.339 5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.186 -2.644 3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.051 -2.063 6.719 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.141 -2.774 6.643 1.00 0.00 H new ATOM 775 N TYR A 51 -10.913 -0.062 0.595 1.00 0.00 N ATOM 776 CA TYR A 51 -9.672 0.578 0.174 1.00 0.00 C ATOM 777 C TYR A 51 -9.957 1.853 -0.615 1.00 0.00 C ATOM 778 O TYR A 51 -9.211 2.828 -0.535 1.00 0.00 O ATOM 779 CB TYR A 51 -8.839 -0.385 -0.675 1.00 0.00 C ATOM 780 CG TYR A 51 -7.567 0.228 -1.213 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.494 0.499 -0.372 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.437 0.538 -2.560 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.329 1.059 -0.859 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.275 1.097 -3.057 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.224 1.356 -2.203 1.00 0.00 C ATOM 786 OH TYR A 51 -4.066 1.914 -2.692 1.00 0.00 O ATOM 0 H TYR A 51 -10.970 -1.057 0.376 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.108 0.844 1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.586 -1.259 -0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.445 -0.737 -1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.573 0.268 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.259 0.339 -3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.505 1.263 -0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.191 1.330 -4.108 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.155 2.060 -3.657 1.00 0.00 H new ATOM 796 N LYS A 52 -11.046 1.837 -1.378 1.00 0.00 N ATOM 797 CA LYS A 52 -11.435 2.990 -2.181 1.00 0.00 C ATOM 798 C LYS A 52 -12.343 3.924 -1.388 1.00 0.00 C ATOM 799 O LYS A 52 -12.326 5.140 -1.586 1.00 0.00 O ATOM 800 CB LYS A 52 -12.144 2.533 -3.457 1.00 0.00 C ATOM 801 CG LYS A 52 -11.201 1.986 -4.515 1.00 0.00 C ATOM 802 CD LYS A 52 -10.372 3.092 -5.146 1.00 0.00 C ATOM 803 CE LYS A 52 -11.133 3.795 -6.259 1.00 0.00 C ATOM 804 NZ LYS A 52 -12.125 4.768 -5.723 1.00 0.00 N ATOM 0 H LYS A 52 -11.675 1.037 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.530 3.535 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.874 1.765 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.698 3.373 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.540 1.245 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.776 1.475 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.090 3.817 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.448 2.673 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.429 4.315 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.646 3.054 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.172 5.597 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.061 4.318 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.835 5.070 -4.771 1.00 0.00 H new ATOM 818 N LEU A 53 -13.134 3.350 -0.489 1.00 0.00 N ATOM 819 CA LEU A 53 -14.049 4.131 0.336 1.00 0.00 C ATOM 820 C LEU A 53 -13.308 4.796 1.492 1.00 0.00 C ATOM 821 O LEU A 53 -13.120 6.012 1.505 1.00 0.00 O ATOM 822 CB LEU A 53 -15.167 3.239 0.878 1.00 0.00 C ATOM 823 CG LEU A 53 -16.012 3.832 2.006 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.437 3.449 3.361 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.098 5.346 1.870 1.00 0.00 C ATOM 0 H LEU A 53 -13.160 2.346 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.485 4.911 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.830 2.980 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.723 2.310 1.234 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.020 3.423 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.051 3.880 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.428 2.363 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.419 3.829 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.703 5.750 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.096 5.773 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.556 5.600 0.914 1.00 0.00 H new ATOM 837 N LYS A 54 -12.888 3.988 2.460 1.00 0.00 N ATOM 838 CA LYS A 54 -12.163 4.497 3.619 1.00 0.00 C ATOM 839 C LYS A 54 -11.097 5.502 3.197 1.00 0.00 C ATOM 840 O LYS A 54 -10.872 6.505 3.874 1.00 0.00 O ATOM 841 CB LYS A 54 -11.515 3.342 4.386 1.00 0.00 C ATOM 842 CG LYS A 54 -11.475 3.558 5.890 1.00 0.00 C ATOM 843 CD LYS A 54 -12.772 3.125 6.550 1.00 0.00 C ATOM 844 CE LYS A 54 -12.802 3.506 8.022 1.00 0.00 C ATOM 845 NZ LYS A 54 -14.090 3.126 8.668 1.00 0.00 N ATOM 0 H LYS A 54 -13.037 2.979 2.465 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.876 5.004 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.062 2.423 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.498 3.199 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.644 2.997 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.292 4.611 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.615 3.587 6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.890 2.046 6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.978 3.017 8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.649 4.581 8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.268 3.749 9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.865 3.224 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.038 2.139 8.993 1.00 0.00 H new ATOM 859 N LEU A 55 -10.445 5.229 2.073 1.00 0.00 N ATOM 860 CA LEU A 55 -9.403 6.111 1.559 1.00 0.00 C ATOM 861 C LEU A 55 -9.989 7.449 1.120 1.00 0.00 C ATOM 862 O LEU A 55 -9.391 8.502 1.341 1.00 0.00 O ATOM 863 CB LEU A 55 -8.680 5.449 0.384 1.00 0.00 C ATOM 864 CG LEU A 55 -7.430 6.167 -0.127 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.395 6.291 0.981 1.00 0.00 C ATOM 866 CD2 LEU A 55 -6.846 5.435 -1.325 1.00 0.00 C ATOM 0 H LEU A 55 -10.619 4.404 1.500 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.689 6.294 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.398 4.438 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.384 5.355 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.715 7.170 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.513 6.804 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.816 6.860 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.114 5.297 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.957 5.961 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.576 4.420 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.585 5.400 -2.125 1.00 0.00 H new ATOM 878 N ALA A 56 -11.164 7.399 0.501 1.00 0.00 N ATOM 879 CA ALA A 56 -11.832 8.608 0.036 1.00 0.00 C ATOM 880 C ALA A 56 -12.249 9.491 1.208 1.00 0.00 C ATOM 881 O ALA A 56 -11.895 10.668 1.266 1.00 0.00 O ATOM 882 CB ALA A 56 -13.044 8.248 -0.811 1.00 0.00 C ATOM 0 H ALA A 56 -11.672 6.535 0.310 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.127 9.170 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.534 9.160 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.724 7.664 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.743 7.662 -0.215 1.00 0.00 H new ATOM 888 N GLU A 57 -13.002 8.914 2.140 1.00 0.00 N ATOM 889 CA GLU A 57 -13.466 9.650 3.310 1.00 0.00 C ATOM 890 C GLU A 57 -12.290 10.108 4.166 1.00 0.00 C ATOM 891 O GLU A 57 -12.339 11.167 4.790 1.00 0.00 O ATOM 892 CB GLU A 57 -14.412 8.783 4.143 1.00 0.00 C ATOM 893 CG GLU A 57 -13.750 7.542 4.720 1.00 0.00 C ATOM 894 CD GLU A 57 -14.563 6.912 5.834 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.685 6.441 5.557 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.075 6.893 6.984 1.00 0.00 O ATOM 0 H GLU A 57 -13.303 7.940 2.107 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.005 10.532 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.816 9.382 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.255 8.480 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.602 6.811 3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.763 7.805 5.100 1.00 0.00 H new ATOM 903 N MET A 58 -11.235 9.301 4.192 1.00 0.00 N ATOM 904 CA MET A 58 -10.044 9.624 4.971 1.00 0.00 C ATOM 905 C MET A 58 -9.236 10.729 4.299 1.00 0.00 C ATOM 906 O MET A 58 -8.667 11.589 4.969 1.00 0.00 O ATOM 907 CB MET A 58 -9.175 8.379 5.154 1.00 0.00 C ATOM 908 CG MET A 58 -9.747 7.378 6.144 1.00 0.00 C ATOM 909 SD MET A 58 -9.507 7.883 7.859 1.00 0.00 S ATOM 910 CE MET A 58 -7.766 7.526 8.077 1.00 0.00 C ATOM 0 H MET A 58 -11.180 8.419 3.683 1.00 0.00 H new ATOM 0 HA MET A 58 -10.367 9.980 5.949 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.048 7.890 4.188 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.184 8.684 5.490 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.813 7.251 5.952 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.277 6.407 5.986 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.650 6.685 8.761 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.323 7.274 7.114 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.264 8.401 8.489 1.00 0.00 H new ATOM 920 N GLN A 59 -9.191 10.697 2.970 1.00 0.00 N ATOM 921 CA GLN A 59 -8.451 11.696 2.209 1.00 0.00 C ATOM 922 C GLN A 59 -9.158 13.047 2.251 1.00 0.00 C ATOM 923 O GLN A 59 -8.517 14.089 2.397 1.00 0.00 O ATOM 924 CB GLN A 59 -8.284 11.241 0.757 1.00 0.00 C ATOM 925 CG GLN A 59 -7.034 10.410 0.520 1.00 0.00 C ATOM 926 CD GLN A 59 -6.255 10.861 -0.700 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.714 11.966 -0.730 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.194 10.005 -1.713 1.00 0.00 N ATOM 0 H GLN A 59 -9.657 9.991 2.400 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.467 11.807 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.158 10.659 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.255 12.119 0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.392 10.469 1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.315 9.364 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.658 9.099 -1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.683 10.253 -2.560 1.00 0.00 H new ATOM 937 N ARG A 60 -10.480 13.023 2.124 1.00 0.00 N ATOM 938 CA ARG A 60 -11.273 14.245 2.147 1.00 0.00 C ATOM 939 C ARG A 60 -11.264 14.874 3.538 1.00 0.00 C ATOM 940 O ARG A 60 -11.118 16.087 3.681 1.00 0.00 O ATOM 941 CB ARG A 60 -12.712 13.954 1.717 1.00 0.00 C ATOM 942 CG ARG A 60 -13.483 13.099 2.710 1.00 0.00 C ATOM 943 CD ARG A 60 -14.836 12.685 2.155 1.00 0.00 C ATOM 944 NE ARG A 60 -15.769 12.306 3.213 1.00 0.00 N ATOM 945 CZ ARG A 60 -17.020 11.920 2.986 1.00 0.00 C ATOM 946 NH1 ARG A 60 -17.484 11.860 1.746 1.00 0.00 N ATOM 947 NH2 ARG A 60 -17.808 11.590 4.002 1.00 0.00 N ATOM 0 H ARG A 60 -11.025 12.169 2.004 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.827 14.950 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.239 14.898 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.699 13.451 0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.902 12.210 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.623 13.654 3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.258 13.507 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.706 11.848 1.469 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.442 12.339 4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.880 12.110 0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.445 11.563 1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.453 11.633 4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.768 11.294 3.827 1.00 0.00 H new ATOM 961 N SER A 61 -11.419 14.038 4.560 1.00 0.00 N ATOM 962 CA SER A 61 -11.433 14.511 5.939 1.00 0.00 C ATOM 963 C SER A 61 -10.013 14.691 6.466 1.00 0.00 C ATOM 964 O SER A 61 -9.098 13.966 6.078 1.00 0.00 O ATOM 965 CB SER A 61 -12.199 13.531 6.829 1.00 0.00 C ATOM 966 OG SER A 61 -12.698 14.176 7.988 1.00 0.00 O ATOM 0 H SER A 61 -11.537 13.030 4.459 1.00 0.00 H new ATOM 0 HA SER A 61 -11.935 15.478 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.025 13.095 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.543 12.710 7.120 1.00 0.00 H new ATOM 0 HG SER A 61 -13.185 13.528 8.539 1.00 0.00 H new ATOM 972 N GLY A 62 -9.838 15.666 7.353 1.00 0.00 N ATOM 973 CA GLY A 62 -8.527 15.926 7.920 1.00 0.00 C ATOM 974 C GLY A 62 -7.879 17.167 7.337 1.00 0.00 C ATOM 975 O GLY A 62 -8.551 18.059 6.820 1.00 0.00 O ATOM 0 H GLY A 62 -10.580 16.280 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.618 16.041 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.881 15.066 7.744 1.00 0.00 H new ATOM 979 N PRO A 63 -6.542 17.235 7.419 1.00 0.00 N ATOM 980 CA PRO A 63 -5.774 18.371 6.901 1.00 0.00 C ATOM 981 C PRO A 63 -5.782 18.431 5.378 1.00 0.00 C ATOM 982 O PRO A 63 -5.457 17.452 4.707 1.00 0.00 O ATOM 983 CB PRO A 63 -4.358 18.107 7.419 1.00 0.00 C ATOM 984 CG PRO A 63 -4.294 16.632 7.611 1.00 0.00 C ATOM 985 CD PRO A 63 -5.677 16.207 8.022 1.00 0.00 C ATOM 0 HA PRO A 63 -6.190 19.325 7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.606 18.446 6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.173 18.636 8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.989 16.132 6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.562 16.369 8.375 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.918 15.211 7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.783 16.178 9.106 1.00 0.00 H new ATOM 993 N SER A 64 -6.156 19.587 4.837 1.00 0.00 N ATOM 994 CA SER A 64 -6.210 19.773 3.393 1.00 0.00 C ATOM 995 C SER A 64 -5.545 21.085 2.989 1.00 0.00 C ATOM 996 O SER A 64 -5.498 22.036 3.770 1.00 0.00 O ATOM 997 CB SER A 64 -7.660 19.753 2.907 1.00 0.00 C ATOM 998 OG SER A 64 -7.733 19.951 1.506 1.00 0.00 O ATOM 0 H SER A 64 -6.426 20.408 5.378 1.00 0.00 H new ATOM 0 HA SER A 64 -5.667 18.951 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.120 18.800 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.228 20.531 3.417 1.00 0.00 H new ATOM 0 HG SER A 64 -8.671 19.932 1.221 1.00 0.00 H new ATOM 1004 N SER A 65 -5.033 21.130 1.763 1.00 0.00 N ATOM 1005 CA SER A 65 -4.366 22.323 1.256 1.00 0.00 C ATOM 1006 C SER A 65 -4.111 22.207 -0.244 1.00 0.00 C ATOM 1007 O SER A 65 -3.823 21.125 -0.754 1.00 0.00 O ATOM 1008 CB SER A 65 -3.045 22.549 1.994 1.00 0.00 C ATOM 1009 OG SER A 65 -2.609 23.890 1.860 1.00 0.00 O ATOM 0 H SER A 65 -5.068 20.354 1.102 1.00 0.00 H new ATOM 0 HA SER A 65 -5.021 23.177 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.169 22.307 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.285 21.875 1.600 1.00 0.00 H new ATOM 0 HG SER A 65 -1.764 24.009 2.342 1.00 0.00 H new ATOM 1015 N GLY A 66 -4.218 23.331 -0.945 1.00 0.00 N ATOM 1016 CA GLY A 66 -3.996 23.335 -2.379 1.00 0.00 C ATOM 1017 C GLY A 66 -5.186 23.875 -3.148 1.00 0.00 C ATOM 1018 O GLY A 66 -5.744 24.913 -2.792 1.00 0.00 O ATOM 0 H GLY A 66 -4.455 24.239 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.117 23.938 -2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.781 22.320 -2.713 1.00 0.00 H new TER 1022 GLY A 66