USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 412 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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0457 (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 17:sc= 0.837 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -149:sc= -3.4! (180deg=-4.41!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.18) USER MOD Single : A 19 MET CE :methyl -164:sc= -6.05 (180deg=-6.98!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 27 ASN : amide:sc= -2.74 K(o=-2.7,f=-4.4!) USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -5.31! (180deg=-5.55!) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc=-0.00599 (180deg=-0.132) USER MOD Single : A 34 HIS : no HD1:sc= -4.26 X(o=-4.3,f=-4.1!) USER MOD Single : A 35 ASN : amide:sc= -0.0231 X(o=-0.023,f=0.0084) USER MOD Single : A 37 ASN : amide:sc= -0.0807 K(o=-0.081,f=-1.7!) USER MOD Single : A 40 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.375 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.825 24.916 10.129 1.00 0.00 N ATOM 2 CA GLY A 1 -9.180 24.596 8.759 1.00 0.00 C ATOM 3 C GLY A 1 -9.196 23.103 8.497 1.00 0.00 C ATOM 4 O GLY A 1 -9.438 22.309 9.406 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.428 25.691 10.472 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.965 24.078 10.729 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.828 25.209 10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.163 25.011 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.471 25.073 8.082 1.00 0.00 H new ATOM 8 N SER A 2 -8.939 22.719 7.251 1.00 0.00 N ATOM 9 CA SER A 2 -8.930 21.312 6.871 1.00 0.00 C ATOM 10 C SER A 2 -7.513 20.748 6.906 1.00 0.00 C ATOM 11 O SER A 2 -6.541 21.468 6.677 1.00 0.00 O ATOM 12 CB SER A 2 -9.526 21.135 5.473 1.00 0.00 C ATOM 13 OG SER A 2 -10.042 19.827 5.300 1.00 0.00 O ATOM 0 H SER A 2 -8.734 23.363 6.487 1.00 0.00 H new ATOM 0 HA SER A 2 -9.539 20.764 7.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.320 21.866 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.761 21.330 4.721 1.00 0.00 H new ATOM 0 HG SER A 2 -10.419 19.740 4.399 1.00 0.00 H new ATOM 19 N SER A 3 -7.404 19.455 7.195 1.00 0.00 N ATOM 20 CA SER A 3 -6.106 18.794 7.265 1.00 0.00 C ATOM 21 C SER A 3 -5.340 18.961 5.956 1.00 0.00 C ATOM 22 O SER A 3 -4.165 19.327 5.954 1.00 0.00 O ATOM 23 CB SER A 3 -6.283 17.307 7.579 1.00 0.00 C ATOM 24 OG SER A 3 -5.089 16.750 8.100 1.00 0.00 O ATOM 0 H SER A 3 -8.199 18.845 7.384 1.00 0.00 H new ATOM 0 HA SER A 3 -5.531 19.261 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.092 17.178 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.572 16.773 6.674 1.00 0.00 H new ATOM 0 HG SER A 3 -5.229 15.800 8.294 1.00 0.00 H new ATOM 30 N GLY A 4 -6.016 18.690 4.844 1.00 0.00 N ATOM 31 CA GLY A 4 -5.384 18.816 3.543 1.00 0.00 C ATOM 32 C GLY A 4 -6.044 17.946 2.492 1.00 0.00 C ATOM 33 O GLY A 4 -6.383 16.792 2.755 1.00 0.00 O ATOM 0 H GLY A 4 -6.989 18.386 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.421 19.858 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.331 18.545 3.626 1.00 0.00 H new ATOM 37 N SER A 5 -6.228 18.500 1.297 1.00 0.00 N ATOM 38 CA SER A 5 -6.856 17.768 0.204 1.00 0.00 C ATOM 39 C SER A 5 -5.869 16.801 -0.441 1.00 0.00 C ATOM 40 O SER A 5 -5.184 17.145 -1.404 1.00 0.00 O ATOM 41 CB SER A 5 -7.394 18.742 -0.847 1.00 0.00 C ATOM 42 OG SER A 5 -8.233 19.718 -0.255 1.00 0.00 O ATOM 0 H SER A 5 -5.951 19.453 1.062 1.00 0.00 H new ATOM 0 HA SER A 5 -7.685 17.192 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.562 19.232 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.950 18.192 -1.606 1.00 0.00 H new ATOM 0 HG SER A 5 -8.562 20.329 -0.947 1.00 0.00 H new ATOM 48 N SER A 6 -5.801 15.587 0.098 1.00 0.00 N ATOM 49 CA SER A 6 -4.895 14.570 -0.422 1.00 0.00 C ATOM 50 C SER A 6 -5.368 13.172 -0.033 1.00 0.00 C ATOM 51 O SER A 6 -6.110 13.002 0.933 1.00 0.00 O ATOM 52 CB SER A 6 -3.477 14.804 0.102 1.00 0.00 C ATOM 53 OG SER A 6 -2.834 15.843 -0.617 1.00 0.00 O ATOM 0 H SER A 6 -6.362 15.285 0.894 1.00 0.00 H new ATOM 0 HA SER A 6 -4.890 14.645 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.514 15.059 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.897 13.885 0.016 1.00 0.00 H new ATOM 0 HG SER A 6 -3.504 16.369 -1.102 1.00 0.00 H new ATOM 59 N GLY A 7 -4.932 12.173 -0.794 1.00 0.00 N ATOM 60 CA GLY A 7 -5.320 10.803 -0.515 1.00 0.00 C ATOM 61 C GLY A 7 -5.119 9.889 -1.708 1.00 0.00 C ATOM 62 O GLY A 7 -6.054 9.637 -2.468 1.00 0.00 O ATOM 0 H GLY A 7 -4.317 12.288 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.739 10.428 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.368 10.779 -0.215 1.00 0.00 H new ATOM 66 N GLN A 8 -3.897 9.393 -1.873 1.00 0.00 N ATOM 67 CA GLN A 8 -3.578 8.504 -2.983 1.00 0.00 C ATOM 68 C GLN A 8 -3.682 7.043 -2.558 1.00 0.00 C ATOM 69 O GLN A 8 -2.851 6.215 -2.934 1.00 0.00 O ATOM 70 CB GLN A 8 -2.171 8.796 -3.509 1.00 0.00 C ATOM 71 CG GLN A 8 -1.920 8.255 -4.908 1.00 0.00 C ATOM 72 CD GLN A 8 -0.685 8.852 -5.552 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.765 9.852 -6.266 1.00 0.00 O ATOM 74 NE2 GLN A 8 0.467 8.242 -5.302 1.00 0.00 N ATOM 0 H GLN A 8 -3.112 9.592 -1.252 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.301 8.684 -3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.009 9.874 -3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.440 8.365 -2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.812 7.171 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.788 8.462 -5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.487 7.416 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.332 8.600 -5.708 1.00 0.00 H new ATOM 83 N THR A 9 -4.707 6.732 -1.772 1.00 0.00 N ATOM 84 CA THR A 9 -4.919 5.372 -1.294 1.00 0.00 C ATOM 85 C THR A 9 -5.589 4.513 -2.360 1.00 0.00 C ATOM 86 O THR A 9 -5.090 3.446 -2.715 1.00 0.00 O ATOM 87 CB THR A 9 -5.781 5.352 -0.018 1.00 0.00 C ATOM 88 OG1 THR A 9 -5.205 6.207 0.976 1.00 0.00 O ATOM 89 CG2 THR A 9 -5.904 3.939 0.531 1.00 0.00 C ATOM 0 H THR A 9 -5.404 7.404 -1.453 1.00 0.00 H new ATOM 0 HA THR A 9 -3.936 4.961 -1.065 1.00 0.00 H new ATOM 0 HB THR A 9 -6.777 5.713 -0.274 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.760 6.190 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.517 3.951 1.432 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.370 3.297 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.913 3.555 0.772 1.00 0.00 H new ATOM 97 N ALA A 10 -6.723 4.986 -2.868 1.00 0.00 N ATOM 98 CA ALA A 10 -7.460 4.262 -3.895 1.00 0.00 C ATOM 99 C ALA A 10 -6.524 3.746 -4.983 1.00 0.00 C ATOM 100 O ALA A 10 -6.612 2.590 -5.394 1.00 0.00 O ATOM 101 CB ALA A 10 -8.535 5.153 -4.501 1.00 0.00 C ATOM 0 H ALA A 10 -7.151 5.868 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.938 3.402 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.078 4.599 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.228 5.468 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.070 6.031 -4.949 1.00 0.00 H new ATOM 107 N ALA A 11 -5.627 4.612 -5.444 1.00 0.00 N ATOM 108 CA ALA A 11 -4.673 4.243 -6.483 1.00 0.00 C ATOM 109 C ALA A 11 -4.072 2.868 -6.213 1.00 0.00 C ATOM 110 O ALA A 11 -4.220 1.946 -7.016 1.00 0.00 O ATOM 111 CB ALA A 11 -3.574 5.291 -6.586 1.00 0.00 C ATOM 0 H ALA A 11 -5.541 5.573 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.206 4.197 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.869 5.003 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.014 6.257 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.051 5.365 -5.633 1.00 0.00 H new ATOM 117 N LEU A 12 -3.393 2.737 -5.079 1.00 0.00 N ATOM 118 CA LEU A 12 -2.768 1.473 -4.703 1.00 0.00 C ATOM 119 C LEU A 12 -3.817 0.382 -4.513 1.00 0.00 C ATOM 120 O LEU A 12 -3.830 -0.612 -5.237 1.00 0.00 O ATOM 121 CB LEU A 12 -1.956 1.645 -3.419 1.00 0.00 C ATOM 122 CG LEU A 12 -0.702 2.514 -3.528 1.00 0.00 C ATOM 123 CD1 LEU A 12 0.293 1.895 -4.497 1.00 0.00 C ATOM 124 CD2 LEU A 12 -1.068 3.925 -3.966 1.00 0.00 C ATOM 0 H LEU A 12 -3.261 3.490 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.100 1.172 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.606 2.075 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.660 0.657 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.235 2.569 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.179 2.527 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.579 0.905 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.164 1.809 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.164 4.530 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.559 3.888 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.744 4.369 -3.235 1.00 0.00 H new ATOM 136 N MET A 13 -4.696 0.578 -3.536 1.00 0.00 N ATOM 137 CA MET A 13 -5.751 -0.388 -3.253 1.00 0.00 C ATOM 138 C MET A 13 -6.244 -1.046 -4.537 1.00 0.00 C ATOM 139 O MET A 13 -6.556 -2.237 -4.555 1.00 0.00 O ATOM 140 CB MET A 13 -6.918 0.295 -2.535 1.00 0.00 C ATOM 141 CG MET A 13 -6.750 0.357 -1.026 1.00 0.00 C ATOM 142 SD MET A 13 -7.397 -1.105 -0.194 1.00 0.00 S ATOM 143 CE MET A 13 -6.506 -1.034 1.358 1.00 0.00 C ATOM 0 H MET A 13 -4.699 1.396 -2.927 1.00 0.00 H new ATOM 0 HA MET A 13 -5.338 -1.161 -2.605 1.00 0.00 H new ATOM 0 HB2 MET A 13 -7.029 1.308 -2.922 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.840 -0.238 -2.768 1.00 0.00 H new ATOM 0 HG2 MET A 13 -5.692 0.468 -0.786 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.258 1.242 -0.644 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.343 -2.045 1.730 1.00 0.00 H new ATOM 0 HE2 MET A 13 -5.544 -0.544 1.203 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.088 -0.469 2.086 1.00 0.00 H new ATOM 153 N ALA A 14 -6.312 -0.264 -5.610 1.00 0.00 N ATOM 154 CA ALA A 14 -6.766 -0.772 -6.898 1.00 0.00 C ATOM 155 C ALA A 14 -5.790 -1.803 -7.456 1.00 0.00 C ATOM 156 O ALA A 14 -6.072 -3.002 -7.458 1.00 0.00 O ATOM 157 CB ALA A 14 -6.946 0.373 -7.883 1.00 0.00 C ATOM 0 H ALA A 14 -6.058 0.724 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.728 -1.263 -6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.285 -0.021 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.686 1.073 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.995 0.889 -8.019 1.00 0.00 H new ATOM 163 N HIS A 15 -4.642 -1.329 -7.929 1.00 0.00 N ATOM 164 CA HIS A 15 -3.624 -2.210 -8.490 1.00 0.00 C ATOM 165 C HIS A 15 -3.598 -3.547 -7.756 1.00 0.00 C ATOM 166 O HIS A 15 -3.382 -4.597 -8.363 1.00 0.00 O ATOM 167 CB HIS A 15 -2.248 -1.548 -8.415 1.00 0.00 C ATOM 168 CG HIS A 15 -2.098 -0.373 -9.332 1.00 0.00 C ATOM 169 ND1 HIS A 15 -2.683 -0.312 -10.579 1.00 0.00 N ATOM 170 CD2 HIS A 15 -1.425 0.791 -9.176 1.00 0.00 C ATOM 171 CE1 HIS A 15 -2.376 0.838 -11.151 1.00 0.00 C ATOM 172 NE2 HIS A 15 -1.613 1.526 -10.321 1.00 0.00 N ATOM 0 H HIS A 15 -4.393 -0.340 -7.935 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.874 -2.393 -9.535 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.065 -1.225 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.484 -2.287 -8.657 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.848 1.087 -8.312 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.695 1.161 -12.131 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.226 2.453 -10.501 1.00 0.00 H new ATOM 181 N LEU A 16 -3.820 -3.502 -6.447 1.00 0.00 N ATOM 182 CA LEU A 16 -3.822 -4.710 -5.629 1.00 0.00 C ATOM 183 C LEU A 16 -5.119 -5.491 -5.815 1.00 0.00 C ATOM 184 O LEU A 16 -5.099 -6.701 -6.045 1.00 0.00 O ATOM 185 CB LEU A 16 -3.637 -4.351 -4.153 1.00 0.00 C ATOM 186 CG LEU A 16 -2.207 -4.034 -3.714 1.00 0.00 C ATOM 187 CD1 LEU A 16 -2.210 -3.038 -2.564 1.00 0.00 C ATOM 188 CD2 LEU A 16 -1.475 -5.308 -3.318 1.00 0.00 C ATOM 0 H LEU A 16 -4.001 -2.642 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.991 -5.338 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.265 -3.489 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.006 -5.180 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.680 -3.584 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.184 -2.824 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.695 -2.115 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.754 -3.460 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.459 -5.063 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.000 -5.788 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.441 -5.988 -4.170 1.00 0.00 H new ATOM 200 N PHE A 17 -6.244 -4.792 -5.715 1.00 0.00 N ATOM 201 CA PHE A 17 -7.551 -5.420 -5.873 1.00 0.00 C ATOM 202 C PHE A 17 -7.683 -6.062 -7.251 1.00 0.00 C ATOM 203 O PHE A 17 -8.374 -7.066 -7.416 1.00 0.00 O ATOM 204 CB PHE A 17 -8.664 -4.390 -5.669 1.00 0.00 C ATOM 205 CG PHE A 17 -9.123 -4.277 -4.244 1.00 0.00 C ATOM 206 CD1 PHE A 17 -9.597 -5.388 -3.565 1.00 0.00 C ATOM 207 CD2 PHE A 17 -9.080 -3.060 -3.582 1.00 0.00 C ATOM 208 CE1 PHE A 17 -10.020 -5.288 -2.253 1.00 0.00 C ATOM 209 CE2 PHE A 17 -9.501 -2.954 -2.270 1.00 0.00 C ATOM 210 CZ PHE A 17 -9.973 -4.069 -1.605 1.00 0.00 C ATOM 0 H PHE A 17 -6.278 -3.790 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.645 -6.200 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.312 -3.415 -6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.515 -4.657 -6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.636 -6.343 -4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.713 -2.185 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.387 -6.162 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.461 -2.000 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 17 -10.305 -3.988 -0.580 1.00 0.00 H new ATOM 220 N GLU A 18 -7.015 -5.472 -8.238 1.00 0.00 N ATOM 221 CA GLU A 18 -7.058 -5.985 -9.603 1.00 0.00 C ATOM 222 C GLU A 18 -6.016 -7.081 -9.805 1.00 0.00 C ATOM 223 O GLU A 18 -6.321 -8.155 -10.323 1.00 0.00 O ATOM 224 CB GLU A 18 -6.826 -4.853 -10.605 1.00 0.00 C ATOM 225 CG GLU A 18 -5.500 -4.134 -10.415 1.00 0.00 C ATOM 226 CD GLU A 18 -5.382 -2.891 -11.274 1.00 0.00 C ATOM 227 OE1 GLU A 18 -6.016 -1.871 -10.933 1.00 0.00 O ATOM 228 OE2 GLU A 18 -4.655 -2.938 -12.288 1.00 0.00 O ATOM 0 H GLU A 18 -6.438 -4.639 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.046 -6.412 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.868 -5.259 -11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.637 -4.130 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.387 -3.858 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.684 -4.816 -10.655 1.00 0.00 H new ATOM 235 N MET A 19 -4.783 -6.800 -9.395 1.00 0.00 N ATOM 236 CA MET A 19 -3.695 -7.761 -9.530 1.00 0.00 C ATOM 237 C MET A 19 -4.102 -9.124 -8.978 1.00 0.00 C ATOM 238 O MET A 19 -4.052 -10.130 -9.684 1.00 0.00 O ATOM 239 CB MET A 19 -2.446 -7.256 -8.806 1.00 0.00 C ATOM 240 CG MET A 19 -1.541 -6.403 -9.678 1.00 0.00 C ATOM 241 SD MET A 19 0.043 -6.044 -8.894 1.00 0.00 S ATOM 242 CE MET A 19 -0.483 -5.011 -7.528 1.00 0.00 C ATOM 0 H MET A 19 -4.513 -5.915 -8.967 1.00 0.00 H new ATOM 0 HA MET A 19 -3.470 -7.871 -10.591 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.751 -6.675 -7.936 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.880 -8.111 -8.436 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.366 -6.916 -10.624 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.047 -5.466 -9.912 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.378 -4.480 -7.121 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.221 -4.290 -7.880 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.926 -5.633 -6.751 1.00 0.00 H new ATOM 252 N GLY A 20 -4.503 -9.149 -7.711 1.00 0.00 N ATOM 253 CA GLY A 20 -4.912 -10.393 -7.086 1.00 0.00 C ATOM 254 C GLY A 20 -4.736 -10.371 -5.581 1.00 0.00 C ATOM 255 O GLY A 20 -4.327 -11.366 -4.982 1.00 0.00 O ATOM 0 H GLY A 20 -4.552 -8.329 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.958 -10.589 -7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.331 -11.215 -7.505 1.00 0.00 H new ATOM 259 N PHE A 21 -5.046 -9.234 -4.967 1.00 0.00 N ATOM 260 CA PHE A 21 -4.917 -9.085 -3.522 1.00 0.00 C ATOM 261 C PHE A 21 -6.170 -8.448 -2.928 1.00 0.00 C ATOM 262 O PHE A 21 -6.352 -7.231 -2.993 1.00 0.00 O ATOM 263 CB PHE A 21 -3.690 -8.237 -3.183 1.00 0.00 C ATOM 264 CG PHE A 21 -2.389 -8.894 -3.546 1.00 0.00 C ATOM 265 CD1 PHE A 21 -1.863 -9.903 -2.756 1.00 0.00 C ATOM 266 CD2 PHE A 21 -1.691 -8.501 -4.677 1.00 0.00 C ATOM 267 CE1 PHE A 21 -0.666 -10.510 -3.088 1.00 0.00 C ATOM 268 CE2 PHE A 21 -0.494 -9.104 -5.014 1.00 0.00 C ATOM 269 CZ PHE A 21 0.020 -10.109 -4.217 1.00 0.00 C ATOM 0 H PHE A 21 -5.388 -8.402 -5.448 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.794 -10.078 -3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.763 -7.282 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.692 -8.019 -2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.394 -10.219 -1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.087 -7.714 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.268 -11.297 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.039 -8.790 -5.899 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.957 -10.580 -4.477 1.00 0.00 H new ATOM 279 N CYS A 22 -7.030 -9.278 -2.349 1.00 0.00 N ATOM 280 CA CYS A 22 -8.267 -8.797 -1.743 1.00 0.00 C ATOM 281 C CYS A 22 -8.003 -8.211 -0.360 1.00 0.00 C ATOM 282 O CYS A 22 -8.561 -7.175 0.003 1.00 0.00 O ATOM 283 CB CYS A 22 -9.286 -9.933 -1.643 1.00 0.00 C ATOM 284 SG CYS A 22 -9.842 -10.568 -3.242 1.00 0.00 S ATOM 0 H CYS A 22 -6.894 -10.287 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.672 -8.010 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.847 -10.751 -1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.152 -9.582 -1.082 1.00 0.00 H new ATOM 0 HG CYS A 22 -10.700 -11.527 -3.054 1.00 0.00 H new ATOM 290 N ASP A 23 -7.152 -8.881 0.408 1.00 0.00 N ATOM 291 CA ASP A 23 -6.814 -8.427 1.752 1.00 0.00 C ATOM 292 C ASP A 23 -6.774 -6.904 1.818 1.00 0.00 C ATOM 293 O ASP A 23 -5.824 -6.277 1.349 1.00 0.00 O ATOM 294 CB ASP A 23 -5.465 -9.004 2.185 1.00 0.00 C ATOM 295 CG ASP A 23 -4.469 -9.066 1.043 1.00 0.00 C ATOM 296 OD1 ASP A 23 -4.497 -8.162 0.182 1.00 0.00 O ATOM 297 OD2 ASP A 23 -3.663 -10.020 1.010 1.00 0.00 O ATOM 0 H ASP A 23 -6.683 -9.741 0.123 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.588 -8.782 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.054 -8.394 2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.614 -10.006 2.588 1.00 0.00 H new ATOM 302 N ARG A 24 -7.813 -6.314 2.401 1.00 0.00 N ATOM 303 CA ARG A 24 -7.898 -4.864 2.525 1.00 0.00 C ATOM 304 C ARG A 24 -7.250 -4.391 3.823 1.00 0.00 C ATOM 305 O ARG A 24 -6.447 -3.458 3.822 1.00 0.00 O ATOM 306 CB ARG A 24 -9.358 -4.411 2.477 1.00 0.00 C ATOM 307 CG ARG A 24 -9.549 -2.936 2.789 1.00 0.00 C ATOM 308 CD ARG A 24 -9.749 -2.703 4.278 1.00 0.00 C ATOM 309 NE ARG A 24 -11.157 -2.765 4.658 1.00 0.00 N ATOM 310 CZ ARG A 24 -11.608 -2.441 5.865 1.00 0.00 C ATOM 311 NH1 ARG A 24 -10.766 -2.033 6.803 1.00 0.00 N ATOM 312 NH2 ARG A 24 -12.905 -2.523 6.134 1.00 0.00 N ATOM 0 H ARG A 24 -8.607 -6.818 2.795 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.360 -4.421 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.762 -4.619 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.936 -5.002 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.680 -2.375 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.411 -2.556 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.189 -3.450 4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.343 -1.729 4.550 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.832 -3.074 3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.769 -1.967 6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.115 -1.785 7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.556 -2.835 5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.250 -2.274 7.061 1.00 0.00 H new ATOM 326 N GLN A 25 -7.605 -5.040 4.927 1.00 0.00 N ATOM 327 CA GLN A 25 -7.059 -4.685 6.231 1.00 0.00 C ATOM 328 C GLN A 25 -5.534 -4.723 6.211 1.00 0.00 C ATOM 329 O GLN A 25 -4.873 -3.836 6.754 1.00 0.00 O ATOM 330 CB GLN A 25 -7.590 -5.634 7.306 1.00 0.00 C ATOM 331 CG GLN A 25 -7.305 -7.099 7.019 1.00 0.00 C ATOM 332 CD GLN A 25 -7.643 -8.000 8.191 1.00 0.00 C ATOM 333 OE1 GLN A 25 -7.919 -7.526 9.294 1.00 0.00 O ATOM 334 NE2 GLN A 25 -7.623 -9.307 7.958 1.00 0.00 N ATOM 0 H GLN A 25 -8.268 -5.815 4.944 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.376 -3.669 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.147 -5.367 8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.667 -5.494 7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.879 -7.413 6.147 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.251 -7.218 6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.389 -9.656 7.029 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.842 -9.962 8.708 1.00 0.00 H new ATOM 343 N LEU A 26 -4.981 -5.754 5.583 1.00 0.00 N ATOM 344 CA LEU A 26 -3.533 -5.908 5.493 1.00 0.00 C ATOM 345 C LEU A 26 -2.932 -4.868 4.553 1.00 0.00 C ATOM 346 O LEU A 26 -2.029 -4.124 4.932 1.00 0.00 O ATOM 347 CB LEU A 26 -3.180 -7.315 5.008 1.00 0.00 C ATOM 348 CG LEU A 26 -1.688 -7.639 4.917 1.00 0.00 C ATOM 349 CD1 LEU A 26 -1.043 -7.573 6.293 1.00 0.00 C ATOM 350 CD2 LEU A 26 -1.477 -9.011 4.293 1.00 0.00 C ATOM 0 H LEU A 26 -5.513 -6.496 5.128 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.113 -5.757 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.648 -8.037 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.624 -7.460 4.023 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.212 -6.894 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.018 -7.806 6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.163 -6.570 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.522 -8.295 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.410 -9.225 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.967 -9.768 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.903 -9.024 3.290 1.00 0.00 H new ATOM 362 N ASN A 27 -3.442 -4.821 3.327 1.00 0.00 N ATOM 363 CA ASN A 27 -2.957 -3.871 2.333 1.00 0.00 C ATOM 364 C ASN A 27 -2.572 -2.548 2.988 1.00 0.00 C ATOM 365 O ASN A 27 -1.392 -2.206 3.077 1.00 0.00 O ATOM 366 CB ASN A 27 -4.023 -3.631 1.262 1.00 0.00 C ATOM 367 CG ASN A 27 -3.971 -4.663 0.153 1.00 0.00 C ATOM 368 OD1 ASN A 27 -3.126 -5.559 0.163 1.00 0.00 O ATOM 369 ND2 ASN A 27 -4.876 -4.542 -0.812 1.00 0.00 N ATOM 0 H ASN A 27 -4.191 -5.430 2.998 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.070 -4.296 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.010 -3.649 1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.889 -2.637 0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.889 -5.207 -1.585 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.558 -3.784 -0.780 1.00 0.00 H new ATOM 376 N LEU A 28 -3.575 -1.807 3.446 1.00 0.00 N ATOM 377 CA LEU A 28 -3.343 -0.521 4.095 1.00 0.00 C ATOM 378 C LEU A 28 -2.085 -0.565 4.956 1.00 0.00 C ATOM 379 O LEU A 28 -1.143 0.197 4.736 1.00 0.00 O ATOM 380 CB LEU A 28 -4.549 -0.135 4.953 1.00 0.00 C ATOM 381 CG LEU A 28 -5.638 0.679 4.253 1.00 0.00 C ATOM 382 CD1 LEU A 28 -6.816 0.908 5.186 1.00 0.00 C ATOM 383 CD2 LEU A 28 -5.078 2.007 3.763 1.00 0.00 C ATOM 0 H LEU A 28 -4.557 -2.075 3.380 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.203 0.230 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.000 -1.048 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.192 0.435 5.811 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.989 0.114 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.581 1.489 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.233 -0.053 5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.481 1.452 6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.866 2.574 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.700 2.577 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.267 1.822 3.059 1.00 0.00 H new ATOM 395 N ARG A 29 -2.076 -1.463 5.936 1.00 0.00 N ATOM 396 CA ARG A 29 -0.933 -1.607 6.830 1.00 0.00 C ATOM 397 C ARG A 29 0.375 -1.610 6.044 1.00 0.00 C ATOM 398 O ARG A 29 1.373 -1.032 6.476 1.00 0.00 O ATOM 399 CB ARG A 29 -1.055 -2.896 7.644 1.00 0.00 C ATOM 400 CG ARG A 29 -1.990 -2.778 8.836 1.00 0.00 C ATOM 401 CD ARG A 29 -2.613 -4.119 9.190 1.00 0.00 C ATOM 402 NE ARG A 29 -3.293 -4.082 10.482 1.00 0.00 N ATOM 403 CZ ARG A 29 -4.101 -5.044 10.915 1.00 0.00 C ATOM 404 NH1 ARG A 29 -4.328 -6.112 10.163 1.00 0.00 N ATOM 405 NH2 ARG A 29 -4.683 -4.938 12.103 1.00 0.00 N ATOM 0 H ARG A 29 -2.847 -2.102 6.131 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.926 -0.755 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.410 -3.695 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.066 -3.188 7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.440 -2.393 9.695 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.777 -2.058 8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.324 -4.405 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.838 -4.885 9.210 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.139 -3.274 11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.882 -6.197 9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.949 -6.849 10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.510 -4.118 12.684 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.303 -5.677 12.435 1.00 0.00 H new ATOM 419 N LEU A 30 0.363 -2.266 4.888 1.00 0.00 N ATOM 420 CA LEU A 30 1.548 -2.345 4.041 1.00 0.00 C ATOM 421 C LEU A 30 1.762 -1.041 3.280 1.00 0.00 C ATOM 422 O LEU A 30 2.892 -0.681 2.949 1.00 0.00 O ATOM 423 CB LEU A 30 1.417 -3.508 3.056 1.00 0.00 C ATOM 424 CG LEU A 30 1.760 -4.894 3.605 1.00 0.00 C ATOM 425 CD1 LEU A 30 1.432 -5.970 2.580 1.00 0.00 C ATOM 426 CD2 LEU A 30 3.227 -4.963 4.002 1.00 0.00 C ATOM 0 H LEU A 30 -0.454 -2.751 4.516 1.00 0.00 H new ATOM 0 HA LEU A 30 2.413 -2.515 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.393 -3.530 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.062 -3.308 2.201 1.00 0.00 H new ATOM 0 HG LEU A 30 1.155 -5.071 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.682 -6.949 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.368 -5.936 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.010 -5.796 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.453 -5.956 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.850 -4.764 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.431 -4.218 4.771 1.00 0.00 H new ATOM 438 N LEU A 31 0.670 -0.335 3.007 1.00 0.00 N ATOM 439 CA LEU A 31 0.738 0.932 2.287 1.00 0.00 C ATOM 440 C LEU A 31 1.414 2.004 3.135 1.00 0.00 C ATOM 441 O LEU A 31 2.501 2.479 2.803 1.00 0.00 O ATOM 442 CB LEU A 31 -0.666 1.390 1.889 1.00 0.00 C ATOM 443 CG LEU A 31 -1.486 0.401 1.060 1.00 0.00 C ATOM 444 CD1 LEU A 31 -2.802 1.028 0.628 1.00 0.00 C ATOM 445 CD2 LEU A 31 -0.692 -0.064 -0.153 1.00 0.00 C ATOM 0 H LEU A 31 -0.273 -0.618 3.273 1.00 0.00 H new ATOM 0 HA LEU A 31 1.333 0.779 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.222 1.620 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.577 2.319 1.326 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.707 -0.467 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.372 0.309 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.377 1.311 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.602 1.914 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.291 -0.767 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.440 0.795 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.224 -0.553 0.178 1.00 0.00 H new ATOM 457 N LYS A 32 0.766 2.380 4.232 1.00 0.00 N ATOM 458 CA LYS A 32 1.305 3.394 5.130 1.00 0.00 C ATOM 459 C LYS A 32 2.764 3.102 5.466 1.00 0.00 C ATOM 460 O LYS A 32 3.544 4.015 5.741 1.00 0.00 O ATOM 461 CB LYS A 32 0.478 3.458 6.416 1.00 0.00 C ATOM 462 CG LYS A 32 -0.744 4.354 6.308 1.00 0.00 C ATOM 463 CD LYS A 32 -1.964 3.580 5.836 1.00 0.00 C ATOM 464 CE LYS A 32 -2.703 2.941 7.002 1.00 0.00 C ATOM 465 NZ LYS A 32 -4.163 2.822 6.733 1.00 0.00 N ATOM 0 H LYS A 32 -0.134 1.997 4.521 1.00 0.00 H new ATOM 0 HA LYS A 32 1.252 4.358 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.158 2.451 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.111 3.817 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.952 4.806 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.538 5.169 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.637 4.250 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.656 2.807 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.288 1.952 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.546 3.536 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.684 2.829 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.474 3.622 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.352 1.931 6.231 1.00 0.00 H new ATOM 479 N LYS A 33 3.128 1.825 5.442 1.00 0.00 N ATOM 480 CA LYS A 33 4.494 1.412 5.741 1.00 0.00 C ATOM 481 C LYS A 33 5.400 1.608 4.529 1.00 0.00 C ATOM 482 O LYS A 33 6.549 2.031 4.662 1.00 0.00 O ATOM 483 CB LYS A 33 4.522 -0.054 6.179 1.00 0.00 C ATOM 484 CG LYS A 33 5.915 -0.566 6.501 1.00 0.00 C ATOM 485 CD LYS A 33 6.590 -1.155 5.274 1.00 0.00 C ATOM 486 CE LYS A 33 8.021 -1.576 5.572 1.00 0.00 C ATOM 487 NZ LYS A 33 8.902 -0.403 5.827 1.00 0.00 N ATOM 0 H LYS A 33 2.495 1.057 5.218 1.00 0.00 H new ATOM 0 HA LYS A 33 4.865 2.035 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.888 -0.174 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.092 -0.669 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.521 0.250 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.854 -1.323 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.022 -2.017 4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.586 -0.421 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.033 -2.235 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.413 -2.149 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.897 -0.705 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.744 0.316 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.681 0.001 6.760 1.00 0.00 H new ATOM 501 N HIS A 34 4.875 1.300 3.348 1.00 0.00 N ATOM 502 CA HIS A 34 5.636 1.445 2.112 1.00 0.00 C ATOM 503 C HIS A 34 5.261 2.736 1.391 1.00 0.00 C ATOM 504 O HIS A 34 5.318 2.812 0.164 1.00 0.00 O ATOM 505 CB HIS A 34 5.393 0.246 1.195 1.00 0.00 C ATOM 506 CG HIS A 34 5.905 -1.047 1.751 1.00 0.00 C ATOM 507 ND1 HIS A 34 7.240 -1.284 1.998 1.00 0.00 N ATOM 508 CD2 HIS A 34 5.251 -2.177 2.110 1.00 0.00 C ATOM 509 CE1 HIS A 34 7.387 -2.504 2.483 1.00 0.00 C ATOM 510 NE2 HIS A 34 6.195 -3.067 2.562 1.00 0.00 N ATOM 0 H HIS A 34 3.926 0.949 3.220 1.00 0.00 H new ATOM 0 HA HIS A 34 6.694 1.488 2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.323 0.153 1.008 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.870 0.432 0.233 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.186 -2.347 2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.323 -2.963 2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.006 -4.009 2.903 1.00 0.00 H new ATOM 519 N ASN A 35 4.877 3.748 2.161 1.00 0.00 N ATOM 520 CA ASN A 35 4.491 5.036 1.596 1.00 0.00 C ATOM 521 C ASN A 35 3.615 4.847 0.361 1.00 0.00 C ATOM 522 O ASN A 35 3.718 5.601 -0.607 1.00 0.00 O ATOM 523 CB ASN A 35 5.734 5.850 1.233 1.00 0.00 C ATOM 524 CG ASN A 35 5.460 7.342 1.204 1.00 0.00 C ATOM 525 OD1 ASN A 35 5.072 7.893 0.174 1.00 0.00 O ATOM 526 ND2 ASN A 35 5.663 8.003 2.338 1.00 0.00 N ATOM 0 H ASN A 35 4.825 3.701 3.179 1.00 0.00 H new ATOM 0 HA ASN A 35 3.917 5.577 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.524 5.642 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.101 5.532 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.497 9.009 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.985 7.505 3.168 1.00 0.00 H new ATOM 533 N TYR A 36 2.754 3.836 0.402 1.00 0.00 N ATOM 534 CA TYR A 36 1.862 3.547 -0.714 1.00 0.00 C ATOM 535 C TYR A 36 2.654 3.160 -1.959 1.00 0.00 C ATOM 536 O TYR A 36 2.417 3.684 -3.046 1.00 0.00 O ATOM 537 CB TYR A 36 0.977 4.758 -1.014 1.00 0.00 C ATOM 538 CG TYR A 36 0.047 5.125 0.120 1.00 0.00 C ATOM 539 CD1 TYR A 36 0.505 5.847 1.215 1.00 0.00 C ATOM 540 CD2 TYR A 36 -1.290 4.748 0.097 1.00 0.00 C ATOM 541 CE1 TYR A 36 -0.341 6.184 2.253 1.00 0.00 C ATOM 542 CE2 TYR A 36 -2.144 5.082 1.130 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.665 5.799 2.206 1.00 0.00 C ATOM 544 OH TYR A 36 -2.512 6.132 3.239 1.00 0.00 O ATOM 0 H TYR A 36 2.655 3.203 1.196 1.00 0.00 H new ATOM 0 HA TYR A 36 1.230 2.705 -0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.612 5.614 -1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.385 4.553 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.541 6.150 1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.668 4.184 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.032 6.746 3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.181 4.783 1.095 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.410 5.787 3.050 1.00 0.00 H new ATOM 554 N ASN A 37 3.595 2.238 -1.790 1.00 0.00 N ATOM 555 CA ASN A 37 4.424 1.779 -2.900 1.00 0.00 C ATOM 556 C ASN A 37 3.994 0.390 -3.361 1.00 0.00 C ATOM 557 O ASN A 37 4.489 -0.622 -2.862 1.00 0.00 O ATOM 558 CB ASN A 37 5.897 1.759 -2.489 1.00 0.00 C ATOM 559 CG ASN A 37 6.563 3.112 -2.658 1.00 0.00 C ATOM 560 OD1 ASN A 37 5.927 4.081 -3.071 1.00 0.00 O ATOM 561 ND2 ASN A 37 7.850 3.181 -2.339 1.00 0.00 N ATOM 0 H ASN A 37 3.803 1.793 -0.896 1.00 0.00 H new ATOM 0 HA ASN A 37 4.295 2.474 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.977 1.445 -1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.428 1.018 -3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.352 4.064 -2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.337 2.351 -2.000 1.00 0.00 H new ATOM 568 N ILE A 38 3.072 0.348 -4.316 1.00 0.00 N ATOM 569 CA ILE A 38 2.577 -0.916 -4.846 1.00 0.00 C ATOM 570 C ILE A 38 3.718 -1.906 -5.061 1.00 0.00 C ATOM 571 O ILE A 38 3.527 -3.119 -4.970 1.00 0.00 O ATOM 572 CB ILE A 38 1.830 -0.715 -6.178 1.00 0.00 C ATOM 573 CG1 ILE A 38 1.038 -1.974 -6.538 1.00 0.00 C ATOM 574 CG2 ILE A 38 2.809 -0.364 -7.287 1.00 0.00 C ATOM 575 CD1 ILE A 38 -0.277 -2.092 -5.799 1.00 0.00 C ATOM 0 H ILE A 38 2.652 1.176 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 38 1.884 -1.318 -4.107 1.00 0.00 H new ATOM 0 HB ILE A 38 1.130 0.112 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.844 -1.977 -7.611 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.647 -2.851 -6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.266 -0.225 -8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.333 0.557 -7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.531 -1.172 -7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.785 -3.007 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.090 -2.121 -4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.905 -1.233 -6.035 1.00 0.00 H new ATOM 587 N LEU A 39 4.904 -1.380 -5.344 1.00 0.00 N ATOM 588 CA LEU A 39 6.078 -2.217 -5.570 1.00 0.00 C ATOM 589 C LEU A 39 6.389 -3.062 -4.339 1.00 0.00 C ATOM 590 O LEU A 39 6.202 -4.279 -4.347 1.00 0.00 O ATOM 591 CB LEU A 39 7.287 -1.349 -5.925 1.00 0.00 C ATOM 592 CG LEU A 39 7.272 -0.715 -7.317 1.00 0.00 C ATOM 593 CD1 LEU A 39 8.690 -0.519 -7.829 1.00 0.00 C ATOM 594 CD2 LEU A 39 6.467 -1.570 -8.284 1.00 0.00 C ATOM 0 H LEU A 39 5.079 -0.378 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 39 5.862 -2.886 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.367 -0.552 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.186 -1.959 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 39 6.795 0.263 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.660 -0.067 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.235 0.135 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.193 -1.484 -7.886 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.467 -1.103 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.914 -2.562 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.442 -1.658 -7.925 1.00 0.00 H new ATOM 606 N GLN A 40 6.862 -2.409 -3.283 1.00 0.00 N ATOM 607 CA GLN A 40 7.197 -3.101 -2.044 1.00 0.00 C ATOM 608 C GLN A 40 6.025 -3.949 -1.560 1.00 0.00 C ATOM 609 O GLN A 40 6.173 -5.144 -1.306 1.00 0.00 O ATOM 610 CB GLN A 40 7.594 -2.094 -0.963 1.00 0.00 C ATOM 611 CG GLN A 40 8.911 -1.389 -1.244 1.00 0.00 C ATOM 612 CD GLN A 40 10.035 -2.355 -1.562 1.00 0.00 C ATOM 613 OE1 GLN A 40 10.572 -3.015 -0.672 1.00 0.00 O ATOM 614 NE2 GLN A 40 10.396 -2.444 -2.837 1.00 0.00 N ATOM 0 H GLN A 40 7.022 -1.402 -3.260 1.00 0.00 H new ATOM 0 HA GLN A 40 8.042 -3.761 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.805 -1.348 -0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.665 -2.610 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.780 -0.703 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.188 -0.787 -0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.923 -1.878 -3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.146 -3.078 -3.112 1.00 0.00 H new ATOM 623 N VAL A 41 4.860 -3.321 -1.434 1.00 0.00 N ATOM 624 CA VAL A 41 3.662 -4.018 -0.981 1.00 0.00 C ATOM 625 C VAL A 41 3.531 -5.380 -1.652 1.00 0.00 C ATOM 626 O VAL A 41 3.387 -6.403 -0.983 1.00 0.00 O ATOM 627 CB VAL A 41 2.392 -3.194 -1.265 1.00 0.00 C ATOM 628 CG1 VAL A 41 1.149 -3.972 -0.862 1.00 0.00 C ATOM 629 CG2 VAL A 41 2.452 -1.857 -0.542 1.00 0.00 C ATOM 0 H VAL A 41 4.721 -2.332 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 41 3.764 -4.155 0.095 1.00 0.00 H new ATOM 0 HB VAL A 41 2.338 -3.000 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.262 -3.374 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.101 -4.901 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.192 -4.199 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.547 -1.288 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.531 -2.027 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.322 -1.297 -0.885 1.00 0.00 H new ATOM 639 N VAL A 42 3.583 -5.387 -2.980 1.00 0.00 N ATOM 640 CA VAL A 42 3.472 -6.624 -3.744 1.00 0.00 C ATOM 641 C VAL A 42 4.653 -7.547 -3.469 1.00 0.00 C ATOM 642 O VAL A 42 4.476 -8.710 -3.105 1.00 0.00 O ATOM 643 CB VAL A 42 3.394 -6.345 -5.257 1.00 0.00 C ATOM 644 CG1 VAL A 42 3.652 -7.618 -6.048 1.00 0.00 C ATOM 645 CG2 VAL A 42 2.043 -5.746 -5.619 1.00 0.00 C ATOM 0 H VAL A 42 3.701 -4.549 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 42 2.551 -7.112 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 42 4.167 -5.622 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.593 -7.402 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.645 -8.000 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.903 -8.366 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.005 -5.555 -6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.251 -6.443 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.904 -4.810 -5.079 1.00 0.00 H new ATOM 655 N THR A 43 5.862 -7.022 -3.644 1.00 0.00 N ATOM 656 CA THR A 43 7.074 -7.798 -3.416 1.00 0.00 C ATOM 657 C THR A 43 6.978 -8.598 -2.122 1.00 0.00 C ATOM 658 O THR A 43 7.357 -9.768 -2.076 1.00 0.00 O ATOM 659 CB THR A 43 8.318 -6.893 -3.356 1.00 0.00 C ATOM 660 OG1 THR A 43 8.495 -6.219 -4.607 1.00 0.00 O ATOM 661 CG2 THR A 43 9.563 -7.704 -3.031 1.00 0.00 C ATOM 0 H THR A 43 6.027 -6.061 -3.943 1.00 0.00 H new ATOM 0 HA THR A 43 7.174 -8.483 -4.258 1.00 0.00 H new ATOM 0 HB THR A 43 8.166 -6.158 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.820 -5.514 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.429 -7.043 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.437 -8.192 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.716 -8.460 -3.801 1.00 0.00 H new ATOM 669 N GLU A 44 6.470 -7.959 -1.072 1.00 0.00 N ATOM 670 CA GLU A 44 6.326 -8.613 0.223 1.00 0.00 C ATOM 671 C GLU A 44 5.213 -9.657 0.184 1.00 0.00 C ATOM 672 O GLU A 44 5.450 -10.842 0.420 1.00 0.00 O ATOM 673 CB GLU A 44 6.032 -7.578 1.311 1.00 0.00 C ATOM 674 CG GLU A 44 5.785 -8.189 2.681 1.00 0.00 C ATOM 675 CD GLU A 44 6.115 -7.236 3.813 1.00 0.00 C ATOM 676 OE1 GLU A 44 7.166 -6.565 3.736 1.00 0.00 O ATOM 677 OE2 GLU A 44 5.322 -7.160 4.775 1.00 0.00 O ATOM 0 H GLU A 44 6.152 -6.990 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 44 7.265 -9.116 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.870 -6.885 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.158 -6.995 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.740 -8.490 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.385 -9.093 2.785 1.00 0.00 H new ATOM 684 N LEU A 45 3.999 -9.207 -0.114 1.00 0.00 N ATOM 685 CA LEU A 45 2.848 -10.101 -0.183 1.00 0.00 C ATOM 686 C LEU A 45 3.254 -11.472 -0.715 1.00 0.00 C ATOM 687 O LEU A 45 3.154 -12.478 -0.011 1.00 0.00 O ATOM 688 CB LEU A 45 1.761 -9.497 -1.073 1.00 0.00 C ATOM 689 CG LEU A 45 0.865 -8.445 -0.419 1.00 0.00 C ATOM 690 CD1 LEU A 45 0.265 -7.526 -1.472 1.00 0.00 C ATOM 691 CD2 LEU A 45 -0.232 -9.111 0.398 1.00 0.00 C ATOM 0 H LEU A 45 3.786 -8.229 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 45 2.455 -10.226 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.240 -9.047 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.129 -10.306 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 45 1.476 -7.843 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.370 -6.784 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.065 -7.022 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.331 -8.113 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.860 -8.347 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.841 -9.738 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.217 -9.726 1.178 1.00 0.00 H new ATOM 703 N LEU A 46 3.714 -11.504 -1.961 1.00 0.00 N ATOM 704 CA LEU A 46 4.139 -12.751 -2.588 1.00 0.00 C ATOM 705 C LEU A 46 4.897 -13.628 -1.597 1.00 0.00 C ATOM 706 O LEU A 46 4.634 -14.826 -1.487 1.00 0.00 O ATOM 707 CB LEU A 46 5.018 -12.460 -3.805 1.00 0.00 C ATOM 708 CG LEU A 46 4.320 -11.801 -4.995 1.00 0.00 C ATOM 709 CD1 LEU A 46 5.343 -11.281 -5.993 1.00 0.00 C ATOM 710 CD2 LEU A 46 3.369 -12.781 -5.665 1.00 0.00 C ATOM 0 H LEU A 46 3.802 -10.681 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 46 3.247 -13.288 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.839 -11.817 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.459 -13.398 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 46 3.739 -10.955 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.828 -10.815 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.984 -10.545 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.952 -12.109 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.881 -12.295 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.929 -13.647 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.615 -13.104 -4.948 1.00 0.00 H new ATOM 722 N GLN A 47 5.836 -13.023 -0.876 1.00 0.00 N ATOM 723 CA GLN A 47 6.630 -13.750 0.107 1.00 0.00 C ATOM 724 C GLN A 47 5.752 -14.272 1.239 1.00 0.00 C ATOM 725 O GLN A 47 5.758 -15.465 1.544 1.00 0.00 O ATOM 726 CB GLN A 47 7.729 -12.848 0.672 1.00 0.00 C ATOM 727 CG GLN A 47 8.691 -12.327 -0.382 1.00 0.00 C ATOM 728 CD GLN A 47 10.068 -12.031 0.179 1.00 0.00 C ATOM 729 OE1 GLN A 47 10.742 -12.919 0.703 1.00 0.00 O ATOM 730 NE2 GLN A 47 10.495 -10.778 0.072 1.00 0.00 N ATOM 0 H GLN A 47 6.065 -12.032 -0.954 1.00 0.00 H new ATOM 0 HA GLN A 47 7.090 -14.603 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.267 -12.002 1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.292 -13.402 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.779 -13.062 -1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.281 -11.420 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.904 -10.074 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.414 -10.520 0.431 1.00 0.00 H new ATOM 739 N LEU A 48 4.996 -13.372 1.858 1.00 0.00 N ATOM 740 CA LEU A 48 4.111 -13.741 2.957 1.00 0.00 C ATOM 741 C LEU A 48 3.474 -15.104 2.708 1.00 0.00 C ATOM 742 O LEU A 48 3.640 -16.032 3.499 1.00 0.00 O ATOM 743 CB LEU A 48 3.023 -12.682 3.140 1.00 0.00 C ATOM 744 CG LEU A 48 3.509 -11.242 3.307 1.00 0.00 C ATOM 745 CD1 LEU A 48 2.333 -10.277 3.299 1.00 0.00 C ATOM 746 CD2 LEU A 48 4.312 -11.096 4.591 1.00 0.00 C ATOM 0 H LEU A 48 4.978 -12.381 1.617 1.00 0.00 H new ATOM 0 HA LEU A 48 4.708 -13.800 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.357 -12.722 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.429 -12.948 4.015 1.00 0.00 H new ATOM 0 HG LEU A 48 4.158 -10.998 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.698 -9.257 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.799 -10.362 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.658 -10.519 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.650 -10.065 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.686 -11.359 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.176 -11.759 4.557 1.00 0.00 H new ATOM 758 N SER A 49 2.745 -15.218 1.602 1.00 0.00 N ATOM 759 CA SER A 49 2.081 -16.467 1.249 1.00 0.00 C ATOM 760 C SER A 49 2.751 -17.117 0.042 1.00 0.00 C ATOM 761 O SER A 49 2.435 -16.799 -1.103 1.00 0.00 O ATOM 762 CB SER A 49 0.601 -16.217 0.952 1.00 0.00 C ATOM 763 OG SER A 49 -0.158 -16.166 2.148 1.00 0.00 O ATOM 0 H SER A 49 2.599 -14.460 0.935 1.00 0.00 H new ATOM 0 HA SER A 49 2.164 -17.146 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.490 -15.280 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.217 -17.008 0.308 1.00 0.00 H new ATOM 0 HG SER A 49 -1.100 -16.004 1.931 1.00 0.00 H new ATOM 769 N GLY A 50 3.680 -18.030 0.309 1.00 0.00 N ATOM 770 CA GLY A 50 4.382 -18.710 -0.764 1.00 0.00 C ATOM 771 C GLY A 50 4.546 -20.194 -0.500 1.00 0.00 C ATOM 772 O GLY A 50 4.705 -20.629 0.640 1.00 0.00 O ATOM 0 H GLY A 50 3.959 -18.311 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.838 -18.568 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.364 -18.257 -0.896 1.00 0.00 H new ATOM 776 N PRO A 51 4.506 -20.997 -1.574 1.00 0.00 N ATOM 777 CA PRO A 51 4.649 -22.453 -1.478 1.00 0.00 C ATOM 778 C PRO A 51 6.064 -22.873 -1.094 1.00 0.00 C ATOM 779 O PRO A 51 6.311 -24.035 -0.773 1.00 0.00 O ATOM 780 CB PRO A 51 4.313 -22.936 -2.891 1.00 0.00 C ATOM 781 CG PRO A 51 4.626 -21.776 -3.772 1.00 0.00 C ATOM 782 CD PRO A 51 4.319 -20.547 -2.963 1.00 0.00 C ATOM 0 HA PRO A 51 4.008 -22.875 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.905 -23.810 -3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.265 -23.223 -2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.672 -21.790 -4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.026 -21.804 -4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.989 -19.724 -3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.302 -20.195 -3.138 1.00 0.00 H new ATOM 790 N SER A 52 6.989 -21.919 -1.129 1.00 0.00 N ATOM 791 CA SER A 52 8.380 -22.192 -0.788 1.00 0.00 C ATOM 792 C SER A 52 8.999 -21.010 -0.047 1.00 0.00 C ATOM 793 O SER A 52 8.818 -19.856 -0.435 1.00 0.00 O ATOM 794 CB SER A 52 9.188 -22.495 -2.051 1.00 0.00 C ATOM 795 OG SER A 52 8.646 -23.603 -2.749 1.00 0.00 O ATOM 0 H SER A 52 6.800 -20.951 -1.390 1.00 0.00 H new ATOM 0 HA SER A 52 8.403 -23.063 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.195 -21.620 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.224 -22.701 -1.783 1.00 0.00 H new ATOM 0 HG SER A 52 9.179 -23.776 -3.553 1.00 0.00 H new ATOM 801 N SER A 53 9.729 -21.308 1.023 1.00 0.00 N ATOM 802 CA SER A 53 10.372 -20.271 1.822 1.00 0.00 C ATOM 803 C SER A 53 11.655 -19.787 1.153 1.00 0.00 C ATOM 804 O SER A 53 12.460 -20.586 0.677 1.00 0.00 O ATOM 805 CB SER A 53 10.683 -20.797 3.225 1.00 0.00 C ATOM 806 OG SER A 53 11.750 -21.729 3.195 1.00 0.00 O ATOM 0 H SER A 53 9.890 -22.258 1.357 1.00 0.00 H new ATOM 0 HA SER A 53 9.684 -19.430 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.941 -19.965 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.795 -21.269 3.645 1.00 0.00 H new ATOM 0 HG SER A 53 11.931 -22.049 4.104 1.00 0.00 H new ATOM 812 N GLY A 54 11.838 -18.470 1.121 1.00 0.00 N ATOM 813 CA GLY A 54 13.023 -17.900 0.508 1.00 0.00 C ATOM 814 C GLY A 54 12.916 -17.824 -1.002 1.00 0.00 C ATOM 815 O GLY A 54 12.677 -18.832 -1.666 1.00 0.00 O ATOM 0 H GLY A 54 11.186 -17.788 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.190 -16.900 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.892 -18.500 0.778 1.00 0.00 H new TER 819 GLY A 54