USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot 66:sc= 1.31 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.181 K(o=1.5,f=-0.028) USER MOD Set 2.1: A 19 CYS SG : rot 57:sc= 0.922 USER MOD Set 2.2: A 68 TYR OH : rot 180:sc= 0.845 USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.0603 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 2 ASN : amide:sc= 1.11 K(o=1.1,f=-0.22) USER MOD Single : A 4 MET CE :methyl -161:sc= -1.15 (180deg=-1.38) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.121 F(o=-2!,f=-0.12) USER MOD Single : A 14 MET CE :methyl -141:sc= -1.53 (180deg=-3.65!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 18 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=-0.086) USER MOD Single : A 21 ASN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 25 SER OG : rot 76:sc= 0.282 USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.0594 (180deg=-0.385) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0286 F(o=-1.2!,f=-0.029) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 39 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.097) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0788 USER MOD Single : A 51 SER OG : rot -65:sc= 1.05 USER MOD Single : A 52 SER OG : rot -160:sc= 0.743 USER MOD Single : A 55 THR OG1 : rot -72:sc= 1.16 USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= 0.855 (180deg=0.0506) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.201 -2.875 -1.356 1.00 0.00 N ATOM 2 CA SER A 1 21.274 -2.093 -2.198 1.00 0.00 C ATOM 3 C SER A 1 19.895 -2.738 -2.214 1.00 0.00 C ATOM 4 O SER A 1 19.780 -3.963 -2.273 1.00 0.00 O ATOM 5 CB SER A 1 21.822 -2.010 -3.622 1.00 0.00 C ATOM 6 OG SER A 1 23.163 -1.553 -3.622 1.00 0.00 O ATOM 0 H1 SER A 1 23.162 -2.815 -1.749 1.00 0.00 H new ATOM 0 H2 SER A 1 22.198 -2.493 -0.389 1.00 0.00 H new ATOM 0 H3 SER A 1 21.897 -3.869 -1.336 1.00 0.00 H new ATOM 0 HA SER A 1 21.184 -1.089 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 1 21.768 -2.991 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 1 21.204 -1.336 -4.215 1.00 0.00 H new ATOM 0 HG SER A 1 23.494 -1.509 -4.543 1.00 0.00 H new ATOM 14 N ASN A 2 18.859 -1.900 -2.150 1.00 0.00 N ATOM 15 CA ASN A 2 17.467 -2.356 -2.217 1.00 0.00 C ATOM 16 C ASN A 2 17.136 -3.320 -1.079 1.00 0.00 C ATOM 17 O ASN A 2 17.187 -4.539 -1.245 1.00 0.00 O ATOM 18 CB ASN A 2 17.169 -3.007 -3.576 1.00 0.00 C ATOM 19 CG ASN A 2 17.194 -2.010 -4.722 1.00 0.00 C ATOM 20 OD1 ASN A 2 18.257 -1.683 -5.257 1.00 0.00 O ATOM 21 ND2 ASN A 2 16.026 -1.543 -5.131 1.00 0.00 N ATOM 0 H ASN A 2 18.959 -0.890 -2.051 1.00 0.00 H new ATOM 0 HA ASN A 2 16.831 -1.478 -2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 2 17.901 -3.792 -3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 2 16.191 -3.486 -3.538 1.00 0.00 H new ATOM 0 HD21 ASN A 2 15.984 -0.890 -5.913 1.00 0.00 H new ATOM 0 HD22 ASN A 2 15.168 -1.836 -4.664 1.00 0.00 H new ATOM 28 N ALA A 3 16.825 -2.766 0.083 1.00 0.00 N ATOM 29 CA ALA A 3 16.436 -3.574 1.233 1.00 0.00 C ATOM 30 C ALA A 3 14.926 -3.767 1.255 1.00 0.00 C ATOM 31 O ALA A 3 14.168 -2.796 1.338 1.00 0.00 O ATOM 32 CB ALA A 3 16.912 -2.930 2.529 1.00 0.00 C ATOM 0 H ALA A 3 16.834 -1.761 0.256 1.00 0.00 H new ATOM 0 HA ALA A 3 16.910 -4.551 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.611 -3.549 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.998 -2.840 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.467 -1.940 2.628 1.00 0.00 H new ATOM 38 N MET A 4 14.493 -5.016 1.175 1.00 0.00 N ATOM 39 CA MET A 4 13.072 -5.328 1.108 1.00 0.00 C ATOM 40 C MET A 4 12.452 -5.337 2.497 1.00 0.00 C ATOM 41 O MET A 4 12.888 -6.076 3.380 1.00 0.00 O ATOM 42 CB MET A 4 12.843 -6.685 0.435 1.00 0.00 C ATOM 43 CG MET A 4 13.533 -6.829 -0.912 1.00 0.00 C ATOM 44 SD MET A 4 13.205 -5.446 -2.023 1.00 0.00 S ATOM 45 CE MET A 4 11.424 -5.540 -2.180 1.00 0.00 C ATOM 0 H MET A 4 15.105 -5.831 1.155 1.00 0.00 H new ATOM 0 HA MET A 4 12.592 -4.552 0.512 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.197 -7.473 1.099 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.772 -6.837 0.302 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.608 -6.915 -0.756 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.204 -7.754 -1.385 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.108 -4.993 -3.068 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.121 -6.583 -2.269 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.957 -5.101 -1.298 1.00 0.00 H new ATOM 55 N GLU A 5 11.437 -4.510 2.685 1.00 0.00 N ATOM 56 CA GLU A 5 10.737 -4.425 3.958 1.00 0.00 C ATOM 57 C GLU A 5 9.264 -4.772 3.788 1.00 0.00 C ATOM 58 O GLU A 5 8.661 -4.461 2.760 1.00 0.00 O ATOM 59 CB GLU A 5 10.873 -3.020 4.545 1.00 0.00 C ATOM 60 CG GLU A 5 12.286 -2.674 4.982 1.00 0.00 C ATOM 61 CD GLU A 5 12.782 -3.576 6.090 1.00 0.00 C ATOM 62 OE1 GLU A 5 12.120 -3.641 7.150 1.00 0.00 O ATOM 63 OE2 GLU A 5 13.825 -4.235 5.910 1.00 0.00 O ATOM 0 H GLU A 5 11.076 -3.883 1.966 1.00 0.00 H new ATOM 0 HA GLU A 5 11.188 -5.144 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.543 -2.293 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.205 -2.927 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.957 -2.750 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.316 -1.638 5.319 1.00 0.00 H new ATOM 70 N GLN A 6 8.692 -5.419 4.793 1.00 0.00 N ATOM 71 CA GLN A 6 7.277 -5.766 4.777 1.00 0.00 C ATOM 72 C GLN A 6 6.539 -5.015 5.877 1.00 0.00 C ATOM 73 O GLN A 6 6.819 -5.200 7.061 1.00 0.00 O ATOM 74 CB GLN A 6 7.079 -7.271 4.953 1.00 0.00 C ATOM 75 CG GLN A 6 7.556 -8.096 3.770 1.00 0.00 C ATOM 76 CD GLN A 6 7.345 -9.582 3.977 1.00 0.00 C ATOM 77 OE1 GLN A 6 8.218 -10.278 4.494 1.00 0.00 O ATOM 78 NE2 GLN A 6 6.182 -10.075 3.582 1.00 0.00 N ATOM 0 H GLN A 6 9.188 -5.716 5.634 1.00 0.00 H new ATOM 0 HA GLN A 6 6.870 -5.477 3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.610 -7.595 5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.021 -7.471 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.026 -7.778 2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.615 -7.903 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.486 -9.462 3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.982 -11.068 3.702 1.00 0.00 H new ATOM 87 N LEU A 7 5.608 -4.161 5.479 1.00 0.00 N ATOM 88 CA LEU A 7 4.855 -3.347 6.429 1.00 0.00 C ATOM 89 C LEU A 7 3.360 -3.618 6.297 1.00 0.00 C ATOM 90 O LEU A 7 2.903 -4.155 5.286 1.00 0.00 O ATOM 91 CB LEU A 7 5.118 -1.847 6.209 1.00 0.00 C ATOM 92 CG LEU A 7 6.542 -1.343 6.507 1.00 0.00 C ATOM 93 CD1 LEU A 7 7.033 -1.854 7.853 1.00 0.00 C ATOM 94 CD2 LEU A 7 7.509 -1.725 5.395 1.00 0.00 C ATOM 0 H LEU A 7 5.353 -4.012 4.503 1.00 0.00 H new ATOM 0 HA LEU A 7 5.189 -3.620 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.883 -1.609 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.421 -1.285 6.831 1.00 0.00 H new ATOM 0 HG LEU A 7 6.503 -0.255 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.041 -1.483 8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.367 -1.502 8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.043 -2.944 7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.505 -1.354 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.539 -2.810 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.175 -1.284 4.455 1.00 0.00 H new ATOM 106 N THR A 8 2.606 -3.240 7.320 1.00 0.00 N ATOM 107 CA THR A 8 1.159 -3.383 7.306 1.00 0.00 C ATOM 108 C THR A 8 0.496 -2.014 7.432 1.00 0.00 C ATOM 109 O THR A 8 0.622 -1.344 8.456 1.00 0.00 O ATOM 110 CB THR A 8 0.674 -4.295 8.451 1.00 0.00 C ATOM 111 OG1 THR A 8 1.390 -5.536 8.414 1.00 0.00 O ATOM 112 CG2 THR A 8 -0.819 -4.562 8.335 1.00 0.00 C ATOM 0 H THR A 8 2.978 -2.829 8.176 1.00 0.00 H new ATOM 0 HA THR A 8 0.879 -3.842 6.358 1.00 0.00 H new ATOM 0 HB THR A 8 0.862 -3.790 9.399 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.082 -6.113 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.138 -5.207 9.153 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.362 -3.618 8.384 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.028 -5.052 7.384 1.00 0.00 H new ATOM 120 N LEU A 9 -0.191 -1.598 6.380 1.00 0.00 N ATOM 121 CA LEU A 9 -0.839 -0.294 6.356 1.00 0.00 C ATOM 122 C LEU A 9 -2.327 -0.443 6.640 1.00 0.00 C ATOM 123 O LEU A 9 -2.981 -1.320 6.074 1.00 0.00 O ATOM 124 CB LEU A 9 -0.648 0.382 4.991 1.00 0.00 C ATOM 125 CG LEU A 9 0.775 0.845 4.647 1.00 0.00 C ATOM 126 CD1 LEU A 9 1.719 -0.334 4.442 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.746 1.721 3.405 1.00 0.00 C ATOM 0 H LEU A 9 -0.315 -2.146 5.528 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.381 0.327 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.977 -0.312 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.309 1.248 4.944 1.00 0.00 H new ATOM 0 HG LEU A 9 1.153 1.423 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.716 0.036 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.764 -0.927 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.354 -0.954 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.758 2.047 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.340 1.152 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.119 2.593 3.589 1.00 0.00 H new ATOM 139 N GLN A 10 -2.863 0.399 7.516 1.00 0.00 N ATOM 140 CA GLN A 10 -4.295 0.386 7.790 1.00 0.00 C ATOM 141 C GLN A 10 -5.019 1.351 6.857 1.00 0.00 C ATOM 142 O GLN A 10 -4.659 2.522 6.753 1.00 0.00 O ATOM 143 CB GLN A 10 -4.597 0.724 9.254 1.00 0.00 C ATOM 144 CG GLN A 10 -4.033 2.055 9.721 1.00 0.00 C ATOM 145 CD GLN A 10 -4.711 2.559 10.980 1.00 0.00 C ATOM 146 OE1 GLN A 10 -5.988 2.246 11.130 1.00 0.00 O flip ATOM 147 NE2 GLN A 10 -4.099 3.229 11.807 1.00 0.00 N flip ATOM 0 H GLN A 10 -2.334 1.093 8.044 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.659 -0.625 7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.678 0.731 9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.197 -0.068 9.887 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.964 1.949 9.905 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.149 2.794 8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.115 3.450 11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.575 3.564 12.644 1.00 0.00 H new ATOM 156 N VAL A 11 -6.038 0.850 6.183 1.00 0.00 N ATOM 157 CA VAL A 11 -6.735 1.620 5.167 1.00 0.00 C ATOM 158 C VAL A 11 -8.161 1.924 5.602 1.00 0.00 C ATOM 159 O VAL A 11 -9.018 1.040 5.613 1.00 0.00 O ATOM 160 CB VAL A 11 -6.769 0.860 3.828 1.00 0.00 C ATOM 161 CG1 VAL A 11 -7.222 1.773 2.698 1.00 0.00 C ATOM 162 CG2 VAL A 11 -5.412 0.240 3.526 1.00 0.00 C ATOM 0 H VAL A 11 -6.404 -0.092 6.321 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.191 2.555 5.036 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.495 0.051 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.238 1.214 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.222 2.149 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.531 2.611 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.458 -0.292 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.658 1.025 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.146 -0.458 4.320 1.00 0.00 H new ATOM 172 N GLU A 12 -8.409 3.170 5.966 1.00 0.00 N ATOM 173 CA GLU A 12 -9.740 3.590 6.373 1.00 0.00 C ATOM 174 C GLU A 12 -10.491 4.185 5.189 1.00 0.00 C ATOM 175 O GLU A 12 -10.006 5.114 4.538 1.00 0.00 O ATOM 176 CB GLU A 12 -9.658 4.609 7.511 1.00 0.00 C ATOM 177 CG GLU A 12 -8.934 4.092 8.745 1.00 0.00 C ATOM 178 CD GLU A 12 -8.903 5.103 9.872 1.00 0.00 C ATOM 179 OE1 GLU A 12 -7.990 5.958 9.890 1.00 0.00 O ATOM 180 OE2 GLU A 12 -9.793 5.052 10.747 1.00 0.00 O ATOM 0 H GLU A 12 -7.707 3.909 5.988 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.283 2.715 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.149 5.503 7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.668 4.908 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.422 3.182 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.913 3.823 8.476 1.00 0.00 H new ATOM 187 N GLY A 13 -11.657 3.627 4.896 1.00 0.00 N ATOM 188 CA GLY A 13 -12.487 4.160 3.835 1.00 0.00 C ATOM 189 C GLY A 13 -12.444 3.323 2.571 1.00 0.00 C ATOM 190 O GLY A 13 -12.391 3.864 1.470 1.00 0.00 O ATOM 0 H GLY A 13 -12.043 2.814 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.517 4.226 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.164 5.175 3.603 1.00 0.00 H new ATOM 194 N MET A 14 -12.459 2.005 2.723 1.00 0.00 N ATOM 195 CA MET A 14 -12.506 1.111 1.571 1.00 0.00 C ATOM 196 C MET A 14 -13.917 1.035 1.003 1.00 0.00 C ATOM 197 O MET A 14 -14.865 0.706 1.717 1.00 0.00 O ATOM 198 CB MET A 14 -12.037 -0.298 1.937 1.00 0.00 C ATOM 199 CG MET A 14 -10.532 -0.437 2.097 1.00 0.00 C ATOM 200 SD MET A 14 -10.037 -2.149 2.365 1.00 0.00 S ATOM 201 CE MET A 14 -8.255 -2.012 2.308 1.00 0.00 C ATOM 0 H MET A 14 -12.439 1.532 3.627 1.00 0.00 H new ATOM 0 HA MET A 14 -11.832 1.522 0.819 1.00 0.00 H new ATOM 0 HB2 MET A 14 -12.518 -0.598 2.868 1.00 0.00 H new ATOM 0 HB3 MET A 14 -12.374 -0.992 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.036 -0.051 1.207 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.199 0.172 2.937 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.840 -2.873 1.784 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.977 -1.099 1.782 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.860 -1.980 3.323 1.00 0.00 H new ATOM 211 N SER A 15 -14.048 1.327 -0.286 1.00 0.00 N ATOM 212 CA SER A 15 -15.336 1.254 -0.965 1.00 0.00 C ATOM 213 C SER A 15 -15.720 -0.195 -1.269 1.00 0.00 C ATOM 214 O SER A 15 -16.801 -0.458 -1.802 1.00 0.00 O ATOM 215 CB SER A 15 -15.289 2.071 -2.258 1.00 0.00 C ATOM 216 OG SER A 15 -14.866 3.399 -1.999 1.00 0.00 O ATOM 0 H SER A 15 -13.274 1.618 -0.884 1.00 0.00 H new ATOM 0 HA SER A 15 -16.095 1.670 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.608 1.599 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.275 2.083 -2.722 1.00 0.00 H new ATOM 0 HG SER A 15 -14.841 3.904 -2.839 1.00 0.00 H new ATOM 222 N CYS A 16 -14.824 -1.121 -0.915 1.00 0.00 N ATOM 223 CA CYS A 16 -15.027 -2.556 -1.124 1.00 0.00 C ATOM 224 C CYS A 16 -14.908 -2.927 -2.608 1.00 0.00 C ATOM 225 O CYS A 16 -14.906 -2.057 -3.480 1.00 0.00 O ATOM 226 CB CYS A 16 -16.383 -3.008 -0.555 1.00 0.00 C ATOM 227 SG CYS A 16 -16.693 -4.788 -0.673 1.00 0.00 S ATOM 0 H CYS A 16 -13.933 -0.894 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 16 -14.239 -3.082 -0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.440 -2.711 0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -17.178 -2.478 -1.080 1.00 0.00 H new ATOM 0 HG CYS A 16 -17.858 -5.060 -0.164 1.00 0.00 H new ATOM 233 N GLY A 17 -14.762 -4.223 -2.869 1.00 0.00 N ATOM 234 CA GLY A 17 -14.720 -4.735 -4.226 1.00 0.00 C ATOM 235 C GLY A 17 -13.577 -4.180 -5.053 1.00 0.00 C ATOM 236 O GLY A 17 -12.419 -4.543 -4.844 1.00 0.00 O ATOM 0 H GLY A 17 -14.671 -4.939 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.638 -5.821 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.662 -4.502 -4.722 1.00 0.00 H new ATOM 240 N HIS A 18 -13.900 -3.274 -5.976 1.00 0.00 N ATOM 241 CA HIS A 18 -12.914 -2.717 -6.905 1.00 0.00 C ATOM 242 C HIS A 18 -11.887 -1.863 -6.163 1.00 0.00 C ATOM 243 O HIS A 18 -10.839 -1.499 -6.711 1.00 0.00 O ATOM 244 CB HIS A 18 -13.618 -1.899 -7.998 1.00 0.00 C ATOM 245 CG HIS A 18 -12.688 -1.298 -9.011 1.00 0.00 C ATOM 246 ND1 HIS A 18 -11.988 -2.045 -9.933 1.00 0.00 N ATOM 247 CD2 HIS A 18 -12.335 -0.008 -9.235 1.00 0.00 C ATOM 248 CE1 HIS A 18 -11.249 -1.245 -10.678 1.00 0.00 C ATOM 249 NE2 HIS A 18 -11.441 -0.005 -10.274 1.00 0.00 N ATOM 0 H HIS A 18 -14.844 -2.907 -6.101 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.381 -3.542 -7.378 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -14.333 -2.541 -8.513 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.190 -1.100 -7.527 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.692 0.857 -8.695 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.598 -1.554 -11.482 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.996 0.823 -10.670 1.00 0.00 H new ATOM 258 N CYS A 19 -12.199 -1.554 -4.913 1.00 0.00 N ATOM 259 CA CYS A 19 -11.279 -0.852 -4.033 1.00 0.00 C ATOM 260 C CYS A 19 -9.937 -1.583 -3.968 1.00 0.00 C ATOM 261 O CYS A 19 -8.880 -0.953 -3.898 1.00 0.00 O ATOM 262 CB CYS A 19 -11.893 -0.739 -2.635 1.00 0.00 C ATOM 263 SG CYS A 19 -10.849 0.087 -1.416 1.00 0.00 S ATOM 0 H CYS A 19 -13.095 -1.782 -4.482 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.103 0.148 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -12.837 -0.199 -2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.127 -1.741 -2.274 1.00 0.00 H new ATOM 0 HG CYS A 19 -10.544 1.277 -1.841 1.00 0.00 H new ATOM 269 N VAL A 20 -10.000 -2.914 -4.026 1.00 0.00 N ATOM 270 CA VAL A 20 -8.814 -3.766 -3.982 1.00 0.00 C ATOM 271 C VAL A 20 -7.840 -3.419 -5.108 1.00 0.00 C ATOM 272 O VAL A 20 -6.725 -2.971 -4.853 1.00 0.00 O ATOM 273 CB VAL A 20 -9.200 -5.262 -4.087 1.00 0.00 C ATOM 274 CG1 VAL A 20 -7.969 -6.149 -4.200 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.042 -5.678 -2.895 1.00 0.00 C ATOM 0 H VAL A 20 -10.876 -3.431 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.327 -3.587 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.788 -5.389 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.277 -7.192 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.404 -5.875 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.342 -6.016 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.304 -6.732 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.475 -5.522 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.952 -5.079 -2.866 1.00 0.00 H new ATOM 285 N ASN A 21 -8.281 -3.611 -6.349 1.00 0.00 N ATOM 286 CA ASN A 21 -7.438 -3.373 -7.519 1.00 0.00 C ATOM 287 C ASN A 21 -6.943 -1.932 -7.555 1.00 0.00 C ATOM 288 O ASN A 21 -5.802 -1.666 -7.946 1.00 0.00 O ATOM 289 CB ASN A 21 -8.214 -3.684 -8.800 1.00 0.00 C ATOM 290 CG ASN A 21 -7.337 -3.672 -10.040 1.00 0.00 C ATOM 291 OD1 ASN A 21 -6.779 -4.699 -10.426 1.00 0.00 O ATOM 292 ND2 ASN A 21 -7.209 -2.515 -10.674 1.00 0.00 N ATOM 0 H ASN A 21 -9.223 -3.933 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.573 -4.033 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.686 -4.662 -8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.014 -2.954 -8.920 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.632 -2.454 -11.513 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.688 -1.685 -10.323 1.00 0.00 H new ATOM 299 N ALA A 22 -7.807 -1.006 -7.146 1.00 0.00 N ATOM 300 CA ALA A 22 -7.459 0.410 -7.132 1.00 0.00 C ATOM 301 C ALA A 22 -6.248 0.672 -6.242 1.00 0.00 C ATOM 302 O ALA A 22 -5.214 1.144 -6.713 1.00 0.00 O ATOM 303 CB ALA A 22 -8.643 1.246 -6.670 1.00 0.00 C ATOM 0 H ALA A 22 -8.752 -1.212 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.200 0.700 -8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.365 2.300 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.482 1.095 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.932 0.943 -5.664 1.00 0.00 H new ATOM 309 N ILE A 23 -6.371 0.340 -4.958 1.00 0.00 N ATOM 310 CA ILE A 23 -5.303 0.612 -4.000 1.00 0.00 C ATOM 311 C ILE A 23 -4.077 -0.253 -4.290 1.00 0.00 C ATOM 312 O ILE A 23 -2.937 0.188 -4.109 1.00 0.00 O ATOM 313 CB ILE A 23 -5.770 0.406 -2.538 1.00 0.00 C ATOM 314 CG1 ILE A 23 -4.652 0.782 -1.564 1.00 0.00 C ATOM 315 CG2 ILE A 23 -6.223 -1.027 -2.301 1.00 0.00 C ATOM 316 CD1 ILE A 23 -5.051 0.664 -0.109 1.00 0.00 C ATOM 0 H ILE A 23 -7.193 -0.114 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.030 1.661 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.624 1.060 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.790 0.141 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.337 1.806 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.545 -1.140 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.054 -1.261 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.395 -1.708 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.209 0.946 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.894 1.326 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.338 -0.365 0.107 1.00 0.00 H new ATOM 328 N GLU A 24 -4.317 -1.476 -4.757 1.00 0.00 N ATOM 329 CA GLU A 24 -3.240 -2.383 -5.117 1.00 0.00 C ATOM 330 C GLU A 24 -2.317 -1.724 -6.132 1.00 0.00 C ATOM 331 O GLU A 24 -1.093 -1.752 -5.983 1.00 0.00 O ATOM 332 CB GLU A 24 -3.806 -3.684 -5.686 1.00 0.00 C ATOM 333 CG GLU A 24 -2.740 -4.688 -6.085 1.00 0.00 C ATOM 334 CD GLU A 24 -3.324 -5.997 -6.561 1.00 0.00 C ATOM 335 OE1 GLU A 24 -3.801 -6.051 -7.710 1.00 0.00 O ATOM 336 OE2 GLU A 24 -3.303 -6.981 -5.790 1.00 0.00 O ATOM 0 H GLU A 24 -5.252 -1.859 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.667 -2.617 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.463 -4.139 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.420 -3.453 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.122 -4.261 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.085 -4.875 -5.234 1.00 0.00 H new ATOM 343 N SER A 25 -2.905 -1.108 -7.150 1.00 0.00 N ATOM 344 CA SER A 25 -2.117 -0.413 -8.152 1.00 0.00 C ATOM 345 C SER A 25 -1.535 0.877 -7.599 1.00 0.00 C ATOM 346 O SER A 25 -0.430 1.252 -7.959 1.00 0.00 O ATOM 347 CB SER A 25 -2.930 -0.107 -9.399 1.00 0.00 C ATOM 348 OG SER A 25 -3.505 -1.288 -9.940 1.00 0.00 O ATOM 0 H SER A 25 -3.913 -1.077 -7.300 1.00 0.00 H new ATOM 0 HA SER A 25 -1.302 -1.083 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.718 0.606 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.292 0.365 -10.146 1.00 0.00 H new ATOM 0 HG SER A 25 -4.268 -1.562 -9.389 1.00 0.00 H new ATOM 354 N SER A 26 -2.269 1.551 -6.722 1.00 0.00 N ATOM 355 CA SER A 26 -1.768 2.775 -6.110 1.00 0.00 C ATOM 356 C SER A 26 -0.415 2.523 -5.454 1.00 0.00 C ATOM 357 O SER A 26 0.440 3.403 -5.414 1.00 0.00 O ATOM 358 CB SER A 26 -2.771 3.318 -5.092 1.00 0.00 C ATOM 359 OG SER A 26 -4.010 3.613 -5.713 1.00 0.00 O ATOM 0 H SER A 26 -3.204 1.274 -6.421 1.00 0.00 H new ATOM 0 HA SER A 26 -1.638 3.525 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.922 2.586 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.370 4.217 -4.624 1.00 0.00 H new ATOM 0 HG SER A 26 -4.420 2.783 -6.035 1.00 0.00 H new ATOM 365 N VAL A 27 -0.229 1.311 -4.946 1.00 0.00 N ATOM 366 CA VAL A 27 1.067 0.896 -4.450 1.00 0.00 C ATOM 367 C VAL A 27 1.952 0.398 -5.601 1.00 0.00 C ATOM 368 O VAL A 27 3.044 0.910 -5.816 1.00 0.00 O ATOM 369 CB VAL A 27 0.942 -0.209 -3.387 1.00 0.00 C ATOM 370 CG1 VAL A 27 2.275 -0.430 -2.698 1.00 0.00 C ATOM 371 CG2 VAL A 27 -0.138 0.133 -2.371 1.00 0.00 C ATOM 0 H VAL A 27 -0.960 0.604 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 27 1.528 1.769 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 27 0.652 -1.133 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.171 -1.215 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.020 -0.728 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.592 0.494 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.206 -0.664 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.114 1.070 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.096 0.239 -2.880 1.00 0.00 H new ATOM 381 N LYS A 28 1.450 -0.581 -6.357 1.00 0.00 N ATOM 382 CA LYS A 28 2.227 -1.253 -7.411 1.00 0.00 C ATOM 383 C LYS A 28 2.769 -0.288 -8.473 1.00 0.00 C ATOM 384 O LYS A 28 3.888 -0.461 -8.955 1.00 0.00 O ATOM 385 CB LYS A 28 1.375 -2.336 -8.084 1.00 0.00 C ATOM 386 CG LYS A 28 1.964 -2.861 -9.386 1.00 0.00 C ATOM 387 CD LYS A 28 1.195 -4.062 -9.909 1.00 0.00 C ATOM 388 CE LYS A 28 1.508 -5.313 -9.105 1.00 0.00 C ATOM 389 NZ LYS A 28 2.927 -5.736 -9.267 1.00 0.00 N ATOM 0 H LYS A 28 0.497 -0.932 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 28 3.091 -1.702 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.249 -3.168 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.382 -1.933 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.954 -2.069 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.006 -3.138 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.125 -3.858 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.446 -4.229 -10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.302 -5.128 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.850 -6.122 -9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.020 -6.741 -9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.221 -5.595 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.532 -5.167 -8.642 1.00 0.00 H new ATOM 403 N GLU A 29 1.978 0.716 -8.841 1.00 0.00 N ATOM 404 CA GLU A 29 2.382 1.683 -9.862 1.00 0.00 C ATOM 405 C GLU A 29 3.593 2.483 -9.409 1.00 0.00 C ATOM 406 O GLU A 29 4.292 3.095 -10.219 1.00 0.00 O ATOM 407 CB GLU A 29 1.237 2.643 -10.188 1.00 0.00 C ATOM 408 CG GLU A 29 0.051 1.977 -10.869 1.00 0.00 C ATOM 409 CD GLU A 29 -0.995 2.972 -11.323 1.00 0.00 C ATOM 410 OE1 GLU A 29 -0.819 3.565 -12.408 1.00 0.00 O ATOM 411 OE2 GLU A 29 -1.993 3.173 -10.601 1.00 0.00 O ATOM 0 H GLU A 29 1.052 0.883 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 29 2.643 1.119 -10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.897 3.114 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.614 3.438 -10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.403 1.408 -11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.405 1.265 -10.181 1.00 0.00 H new ATOM 418 N LEU A 30 3.827 2.483 -8.111 1.00 0.00 N ATOM 419 CA LEU A 30 4.955 3.215 -7.544 1.00 0.00 C ATOM 420 C LEU A 30 6.264 2.455 -7.743 1.00 0.00 C ATOM 421 O LEU A 30 6.290 1.224 -7.765 1.00 0.00 O ATOM 422 CB LEU A 30 4.749 3.487 -6.051 1.00 0.00 C ATOM 423 CG LEU A 30 3.461 4.224 -5.689 1.00 0.00 C ATOM 424 CD1 LEU A 30 3.471 4.610 -4.220 1.00 0.00 C ATOM 425 CD2 LEU A 30 3.267 5.451 -6.570 1.00 0.00 C ATOM 0 H LEU A 30 3.256 1.987 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 30 5.013 4.167 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.764 2.535 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.595 4.069 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 30 2.621 3.553 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.547 5.135 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.551 3.711 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.322 5.261 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.343 5.957 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.108 6.132 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.211 5.144 -7.614 1.00 0.00 H new ATOM 437 N ASN A 31 7.347 3.203 -7.894 1.00 0.00 N ATOM 438 CA ASN A 31 8.674 2.619 -8.037 1.00 0.00 C ATOM 439 C ASN A 31 9.209 2.183 -6.678 1.00 0.00 C ATOM 440 O ASN A 31 9.212 2.963 -5.724 1.00 0.00 O ATOM 441 CB ASN A 31 9.637 3.629 -8.673 1.00 0.00 C ATOM 442 CG ASN A 31 11.069 3.115 -8.747 1.00 0.00 C ATOM 443 OD1 ASN A 31 11.313 1.913 -8.861 1.00 0.00 O ATOM 444 ND2 ASN A 31 12.025 4.029 -8.682 1.00 0.00 N ATOM 0 H ASN A 31 7.333 4.223 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 31 8.597 1.746 -8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.291 3.871 -9.678 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.617 4.554 -8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.004 3.747 -8.726 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.782 5.015 -8.588 1.00 0.00 H new ATOM 451 N GLY A 32 9.658 0.938 -6.600 1.00 0.00 N ATOM 452 CA GLY A 32 10.202 0.419 -5.362 1.00 0.00 C ATOM 453 C GLY A 32 9.234 -0.494 -4.645 1.00 0.00 C ATOM 454 O GLY A 32 9.417 -0.806 -3.474 1.00 0.00 O ATOM 0 H GLY A 32 9.655 0.276 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.122 -0.126 -5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.466 1.250 -4.708 1.00 0.00 H new ATOM 458 N VAL A 33 8.192 -0.913 -5.339 1.00 0.00 N ATOM 459 CA VAL A 33 7.220 -1.822 -4.767 1.00 0.00 C ATOM 460 C VAL A 33 7.413 -3.226 -5.319 1.00 0.00 C ATOM 461 O VAL A 33 7.647 -3.405 -6.516 1.00 0.00 O ATOM 462 CB VAL A 33 5.787 -1.338 -5.043 1.00 0.00 C ATOM 463 CG1 VAL A 33 4.760 -2.347 -4.553 1.00 0.00 C ATOM 464 CG2 VAL A 33 5.567 0.009 -4.379 1.00 0.00 C ATOM 0 H VAL A 33 7.998 -0.637 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 33 7.374 -1.844 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 33 5.659 -1.234 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.757 -1.976 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.910 -3.297 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.876 -2.492 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.551 0.350 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.716 -0.087 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.277 0.733 -4.780 1.00 0.00 H new ATOM 474 N GLU A 34 7.345 -4.211 -4.438 1.00 0.00 N ATOM 475 CA GLU A 34 7.536 -5.598 -4.829 1.00 0.00 C ATOM 476 C GLU A 34 6.195 -6.310 -4.942 1.00 0.00 C ATOM 477 O GLU A 34 5.741 -6.643 -6.038 1.00 0.00 O ATOM 478 CB GLU A 34 8.404 -6.307 -3.789 1.00 0.00 C ATOM 479 CG GLU A 34 8.737 -7.746 -4.139 1.00 0.00 C ATOM 480 CD GLU A 34 9.457 -7.874 -5.465 1.00 0.00 C ATOM 481 OE1 GLU A 34 8.776 -8.002 -6.503 1.00 0.00 O ATOM 482 OE2 GLU A 34 10.704 -7.847 -5.474 1.00 0.00 O ATOM 0 H GLU A 34 7.158 -4.075 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 34 8.030 -5.623 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.333 -5.750 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.890 -6.287 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.357 -8.173 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.817 -8.330 -4.172 1.00 0.00 H new ATOM 489 N GLN A 35 5.553 -6.515 -3.802 1.00 0.00 N ATOM 490 CA GLN A 35 4.284 -7.226 -3.752 1.00 0.00 C ATOM 491 C GLN A 35 3.381 -6.611 -2.702 1.00 0.00 C ATOM 492 O GLN A 35 3.859 -6.075 -1.697 1.00 0.00 O ATOM 493 CB GLN A 35 4.498 -8.712 -3.442 1.00 0.00 C ATOM 494 CG GLN A 35 5.384 -9.424 -4.450 1.00 0.00 C ATOM 495 CD GLN A 35 5.477 -10.918 -4.212 1.00 0.00 C ATOM 496 OE1 GLN A 35 4.396 -11.512 -3.730 1.00 0.00 O flip ATOM 497 NE2 GLN A 35 6.507 -11.538 -4.483 1.00 0.00 N flip ATOM 0 H GLN A 35 5.892 -6.197 -2.894 1.00 0.00 H new ATOM 0 HA GLN A 35 3.812 -7.141 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.941 -8.807 -2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.529 -9.210 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.998 -9.246 -5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.385 -8.994 -4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.318 -11.042 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.548 -12.547 -4.338 1.00 0.00 H new ATOM 506 N VAL A 36 2.082 -6.678 -2.937 1.00 0.00 N ATOM 507 CA VAL A 36 1.114 -6.128 -2.009 1.00 0.00 C ATOM 508 C VAL A 36 0.028 -7.145 -1.695 1.00 0.00 C ATOM 509 O VAL A 36 -0.443 -7.868 -2.573 1.00 0.00 O ATOM 510 CB VAL A 36 0.459 -4.842 -2.554 1.00 0.00 C ATOM 511 CG1 VAL A 36 1.494 -3.746 -2.722 1.00 0.00 C ATOM 512 CG2 VAL A 36 -0.251 -5.109 -3.872 1.00 0.00 C ATOM 0 H VAL A 36 1.674 -7.110 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 36 1.659 -5.880 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.284 -4.509 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.013 -2.847 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.952 -3.527 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.262 -4.075 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.704 -4.186 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.468 -5.473 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.027 -5.860 -3.722 1.00 0.00 H new ATOM 522 N LYS A 37 -0.339 -7.221 -0.435 1.00 0.00 N ATOM 523 CA LYS A 37 -1.449 -8.047 -0.018 1.00 0.00 C ATOM 524 C LYS A 37 -2.525 -7.157 0.576 1.00 0.00 C ATOM 525 O LYS A 37 -2.508 -6.856 1.769 1.00 0.00 O ATOM 526 CB LYS A 37 -0.986 -9.071 1.025 1.00 0.00 C ATOM 527 CG LYS A 37 0.163 -9.956 0.561 1.00 0.00 C ATOM 528 CD LYS A 37 0.835 -10.656 1.732 1.00 0.00 C ATOM 529 CE LYS A 37 -0.142 -11.526 2.504 1.00 0.00 C ATOM 530 NZ LYS A 37 0.450 -12.041 3.766 1.00 0.00 N ATOM 0 H LYS A 37 0.120 -6.716 0.324 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.846 -8.586 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.681 -8.542 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.831 -9.704 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.210 -10.700 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.897 -9.352 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.657 -11.270 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.267 -9.912 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.039 -10.950 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.452 -12.364 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.249 -12.630 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.291 -12.612 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.723 -11.242 4.373 1.00 0.00 H new ATOM 544 N VAL A 38 -3.450 -6.716 -0.257 1.00 0.00 N ATOM 545 CA VAL A 38 -4.520 -5.854 0.210 1.00 0.00 C ATOM 546 C VAL A 38 -5.696 -6.683 0.707 1.00 0.00 C ATOM 547 O VAL A 38 -6.309 -7.440 -0.047 1.00 0.00 O ATOM 548 CB VAL A 38 -4.982 -4.844 -0.872 1.00 0.00 C ATOM 549 CG1 VAL A 38 -5.272 -5.530 -2.196 1.00 0.00 C ATOM 550 CG2 VAL A 38 -6.204 -4.071 -0.400 1.00 0.00 C ATOM 0 H VAL A 38 -3.482 -6.938 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.121 -5.271 1.040 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.162 -4.144 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.593 -4.788 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.370 -6.026 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.062 -6.268 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.511 -3.368 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.018 -4.766 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.959 -3.524 0.510 1.00 0.00 H new ATOM 560 N GLN A 39 -5.975 -6.567 1.992 1.00 0.00 N ATOM 561 CA GLN A 39 -7.077 -7.287 2.595 1.00 0.00 C ATOM 562 C GLN A 39 -8.299 -6.382 2.672 1.00 0.00 C ATOM 563 O GLN A 39 -8.364 -5.495 3.520 1.00 0.00 O ATOM 564 CB GLN A 39 -6.700 -7.780 3.995 1.00 0.00 C ATOM 565 CG GLN A 39 -5.484 -8.698 4.028 1.00 0.00 C ATOM 566 CD GLN A 39 -5.628 -9.906 3.121 1.00 0.00 C ATOM 567 OE1 GLN A 39 -6.159 -10.943 3.522 1.00 0.00 O ATOM 568 NE2 GLN A 39 -5.139 -9.786 1.898 1.00 0.00 N ATOM 0 H GLN A 39 -5.450 -5.978 2.639 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.308 -8.155 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.507 -6.917 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.552 -8.308 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.600 -8.132 3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.319 -9.036 5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.707 -8.910 1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.194 -10.570 1.248 1.00 0.00 H new ATOM 577 N LEU A 40 -9.252 -6.604 1.775 1.00 0.00 N ATOM 578 CA LEU A 40 -10.454 -5.777 1.700 1.00 0.00 C ATOM 579 C LEU A 40 -11.261 -5.910 2.990 1.00 0.00 C ATOM 580 O LEU A 40 -11.661 -4.913 3.594 1.00 0.00 O ATOM 581 CB LEU A 40 -11.295 -6.200 0.479 1.00 0.00 C ATOM 582 CG LEU A 40 -12.368 -5.203 -0.006 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.535 -5.121 0.968 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.756 -3.826 -0.221 1.00 0.00 C ATOM 0 H LEU A 40 -9.217 -7.354 1.085 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.171 -4.731 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.615 -6.397 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.789 -7.142 0.717 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.755 -5.568 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.271 -4.410 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.997 -6.103 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.174 -4.791 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.526 -3.135 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.335 -3.465 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.968 -3.891 -0.971 1.00 0.00 H new ATOM 596 N ALA A 41 -11.466 -7.152 3.414 1.00 0.00 N ATOM 597 CA ALA A 41 -12.258 -7.446 4.604 1.00 0.00 C ATOM 598 C ALA A 41 -11.620 -6.866 5.863 1.00 0.00 C ATOM 599 O ALA A 41 -12.317 -6.404 6.768 1.00 0.00 O ATOM 600 CB ALA A 41 -12.434 -8.946 4.752 1.00 0.00 C ATOM 0 H ALA A 41 -11.091 -7.978 2.947 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.234 -6.976 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.026 -9.157 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.946 -9.341 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.457 -9.420 4.846 1.00 0.00 H new ATOM 606 N GLU A 42 -10.296 -6.888 5.910 1.00 0.00 N ATOM 607 CA GLU A 42 -9.567 -6.405 7.074 1.00 0.00 C ATOM 608 C GLU A 42 -9.411 -4.892 7.022 1.00 0.00 C ATOM 609 O GLU A 42 -9.448 -4.220 8.051 1.00 0.00 O ATOM 610 CB GLU A 42 -8.191 -7.063 7.154 1.00 0.00 C ATOM 611 CG GLU A 42 -8.244 -8.582 7.220 1.00 0.00 C ATOM 612 CD GLU A 42 -8.955 -9.081 8.459 1.00 0.00 C ATOM 613 OE1 GLU A 42 -10.192 -9.240 8.421 1.00 0.00 O ATOM 614 OE2 GLU A 42 -8.277 -9.307 9.481 1.00 0.00 O ATOM 0 H GLU A 42 -9.704 -7.235 5.155 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.139 -6.669 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.605 -6.766 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.669 -6.688 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.752 -8.964 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.229 -8.979 7.202 1.00 0.00 H new ATOM 621 N GLY A 43 -9.252 -4.361 5.819 1.00 0.00 N ATOM 622 CA GLY A 43 -9.011 -2.943 5.663 1.00 0.00 C ATOM 623 C GLY A 43 -7.555 -2.606 5.872 1.00 0.00 C ATOM 624 O GLY A 43 -7.222 -1.526 6.350 1.00 0.00 O ATOM 0 H GLY A 43 -9.286 -4.889 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.320 -2.627 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.621 -2.388 6.376 1.00 0.00 H new ATOM 628 N THR A 44 -6.686 -3.542 5.525 1.00 0.00 N ATOM 629 CA THR A 44 -5.253 -3.354 5.680 1.00 0.00 C ATOM 630 C THR A 44 -4.500 -3.917 4.480 1.00 0.00 C ATOM 631 O THR A 44 -4.998 -4.804 3.785 1.00 0.00 O ATOM 632 CB THR A 44 -4.742 -4.032 6.968 1.00 0.00 C ATOM 633 OG1 THR A 44 -5.224 -5.380 7.033 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.191 -3.270 8.206 1.00 0.00 C ATOM 0 H THR A 44 -6.951 -4.445 5.132 1.00 0.00 H new ATOM 0 HA THR A 44 -5.069 -2.282 5.747 1.00 0.00 H new ATOM 0 HB THR A 44 -3.652 -4.032 6.941 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.895 -5.806 7.852 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.816 -3.772 9.098 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.799 -2.253 8.170 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.280 -3.238 8.239 1.00 0.00 H new ATOM 642 N VAL A 45 -3.312 -3.389 4.225 1.00 0.00 N ATOM 643 CA VAL A 45 -2.497 -3.853 3.111 1.00 0.00 C ATOM 644 C VAL A 45 -1.095 -4.223 3.584 1.00 0.00 C ATOM 645 O VAL A 45 -0.382 -3.397 4.158 1.00 0.00 O ATOM 646 CB VAL A 45 -2.390 -2.789 1.993 1.00 0.00 C ATOM 647 CG1 VAL A 45 -1.688 -3.359 0.768 1.00 0.00 C ATOM 648 CG2 VAL A 45 -3.762 -2.257 1.614 1.00 0.00 C ATOM 0 H VAL A 45 -2.891 -2.639 4.774 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.992 -4.735 2.704 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.796 -1.961 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.625 -2.593 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.684 -3.682 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.253 -4.211 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.658 -1.511 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.384 -3.077 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.229 -1.801 2.487 1.00 0.00 H new ATOM 658 N GLU A 46 -0.720 -5.472 3.355 1.00 0.00 N ATOM 659 CA GLU A 46 0.631 -5.940 3.639 1.00 0.00 C ATOM 660 C GLU A 46 1.516 -5.697 2.423 1.00 0.00 C ATOM 661 O GLU A 46 1.340 -6.335 1.389 1.00 0.00 O ATOM 662 CB GLU A 46 0.617 -7.432 3.975 1.00 0.00 C ATOM 663 CG GLU A 46 -0.205 -7.785 5.203 1.00 0.00 C ATOM 664 CD GLU A 46 -0.407 -9.280 5.346 1.00 0.00 C ATOM 665 OE1 GLU A 46 0.594 -10.011 5.502 1.00 0.00 O ATOM 666 OE2 GLU A 46 -1.566 -9.737 5.292 1.00 0.00 O ATOM 0 H GLU A 46 -1.337 -6.187 2.970 1.00 0.00 H new ATOM 0 HA GLU A 46 1.024 -5.392 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.226 -7.982 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.642 -7.768 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.292 -7.400 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.176 -7.293 5.142 1.00 0.00 H new ATOM 673 N VAL A 47 2.455 -4.774 2.533 1.00 0.00 N ATOM 674 CA VAL A 47 3.257 -4.382 1.378 1.00 0.00 C ATOM 675 C VAL A 47 4.733 -4.716 1.567 1.00 0.00 C ATOM 676 O VAL A 47 5.300 -4.502 2.637 1.00 0.00 O ATOM 677 CB VAL A 47 3.127 -2.874 1.079 1.00 0.00 C ATOM 678 CG1 VAL A 47 3.822 -2.526 -0.228 1.00 0.00 C ATOM 679 CG2 VAL A 47 1.670 -2.450 1.039 1.00 0.00 C ATOM 0 H VAL A 47 2.683 -4.284 3.398 1.00 0.00 H new ATOM 0 HA VAL A 47 2.867 -4.954 0.536 1.00 0.00 H new ATOM 0 HB VAL A 47 3.615 -2.327 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.719 -1.458 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.879 -2.782 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.366 -3.088 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.607 -1.383 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.150 -3.006 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.205 -2.656 2.003 1.00 0.00 H new ATOM 689 N THR A 48 5.341 -5.250 0.515 1.00 0.00 N ATOM 690 CA THR A 48 6.778 -5.454 0.471 1.00 0.00 C ATOM 691 C THR A 48 7.407 -4.377 -0.403 1.00 0.00 C ATOM 692 O THR A 48 7.138 -4.313 -1.606 1.00 0.00 O ATOM 693 CB THR A 48 7.124 -6.844 -0.095 1.00 0.00 C ATOM 694 OG1 THR A 48 6.285 -7.831 0.514 1.00 0.00 O ATOM 695 CG2 THR A 48 8.582 -7.188 0.164 1.00 0.00 C ATOM 0 H THR A 48 4.851 -5.552 -0.327 1.00 0.00 H new ATOM 0 HA THR A 48 7.170 -5.393 1.486 1.00 0.00 H new ATOM 0 HB THR A 48 6.958 -6.829 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.504 -8.715 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.801 -8.174 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.221 -6.446 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.770 -7.191 1.238 1.00 0.00 H new ATOM 703 N ILE A 49 8.214 -3.517 0.198 1.00 0.00 N ATOM 704 CA ILE A 49 8.791 -2.392 -0.523 1.00 0.00 C ATOM 705 C ILE A 49 10.310 -2.404 -0.493 1.00 0.00 C ATOM 706 O ILE A 49 10.926 -2.994 0.398 1.00 0.00 O ATOM 707 CB ILE A 49 8.328 -1.038 0.058 1.00 0.00 C ATOM 708 CG1 ILE A 49 8.715 -0.931 1.541 1.00 0.00 C ATOM 709 CG2 ILE A 49 6.827 -0.857 -0.124 1.00 0.00 C ATOM 710 CD1 ILE A 49 8.534 0.455 2.128 1.00 0.00 C ATOM 0 H ILE A 49 8.484 -3.575 1.180 1.00 0.00 H new ATOM 0 HA ILE A 49 8.441 -2.502 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 49 8.832 -0.239 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.115 -1.638 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.757 -1.230 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.523 0.103 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.583 -0.885 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.299 -1.659 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.829 0.447 3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.155 1.165 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.488 0.751 2.047 1.00 0.00 H new ATOM 722 N ASP A 50 10.895 -1.750 -1.482 1.00 0.00 N ATOM 723 CA ASP A 50 12.305 -1.426 -1.475 1.00 0.00 C ATOM 724 C ASP A 50 12.510 -0.199 -0.607 1.00 0.00 C ATOM 725 O ASP A 50 12.305 0.927 -1.063 1.00 0.00 O ATOM 726 CB ASP A 50 12.801 -1.111 -2.890 1.00 0.00 C ATOM 727 CG ASP A 50 12.731 -2.289 -3.839 1.00 0.00 C ATOM 728 OD1 ASP A 50 11.614 -2.746 -4.149 1.00 0.00 O ATOM 729 OD2 ASP A 50 13.796 -2.729 -4.317 1.00 0.00 O ATOM 0 H ASP A 50 10.400 -1.429 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 50 12.862 -2.280 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.209 -0.292 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.832 -0.762 -2.834 1.00 0.00 H new ATOM 734 N SER A 51 12.905 -0.405 0.639 1.00 0.00 N ATOM 735 CA SER A 51 13.038 0.698 1.585 1.00 0.00 C ATOM 736 C SER A 51 14.194 1.618 1.196 1.00 0.00 C ATOM 737 O SER A 51 14.356 2.708 1.747 1.00 0.00 O ATOM 738 CB SER A 51 13.232 0.153 2.999 1.00 0.00 C ATOM 739 OG SER A 51 14.383 -0.671 3.074 1.00 0.00 O ATOM 0 H SER A 51 13.139 -1.321 1.021 1.00 0.00 H new ATOM 0 HA SER A 51 12.122 1.288 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.327 0.981 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.352 -0.418 3.296 1.00 0.00 H new ATOM 0 HG SER A 51 14.249 -1.471 2.524 1.00 0.00 H new ATOM 745 N SER A 52 14.985 1.173 0.233 1.00 0.00 N ATOM 746 CA SER A 52 16.083 1.964 -0.286 1.00 0.00 C ATOM 747 C SER A 52 15.604 2.869 -1.419 1.00 0.00 C ATOM 748 O SER A 52 16.359 3.695 -1.930 1.00 0.00 O ATOM 749 CB SER A 52 17.184 1.039 -0.803 1.00 0.00 C ATOM 750 OG SER A 52 17.476 0.017 0.137 1.00 0.00 O ATOM 0 H SER A 52 14.883 0.258 -0.207 1.00 0.00 H new ATOM 0 HA SER A 52 16.474 2.586 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.873 0.591 -1.747 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.085 1.619 -1.006 1.00 0.00 H new ATOM 0 HG SER A 52 18.362 -0.356 -0.051 1.00 0.00 H new ATOM 756 N VAL A 53 14.344 2.703 -1.811 1.00 0.00 N ATOM 757 CA VAL A 53 13.793 3.448 -2.934 1.00 0.00 C ATOM 758 C VAL A 53 12.525 4.192 -2.529 1.00 0.00 C ATOM 759 O VAL A 53 12.486 5.422 -2.535 1.00 0.00 O ATOM 760 CB VAL A 53 13.479 2.516 -4.123 1.00 0.00 C ATOM 761 CG1 VAL A 53 12.929 3.310 -5.297 1.00 0.00 C ATOM 762 CG2 VAL A 53 14.720 1.736 -4.532 1.00 0.00 C ATOM 0 H VAL A 53 13.688 2.060 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 53 14.549 4.171 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 53 12.716 1.804 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.714 2.634 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.013 3.817 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.665 4.049 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.480 1.084 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 53 15.506 2.431 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.064 1.133 -3.692 1.00 0.00 H new ATOM 772 N VAL A 54 11.492 3.448 -2.169 1.00 0.00 N ATOM 773 CA VAL A 54 10.223 4.051 -1.808 1.00 0.00 C ATOM 774 C VAL A 54 10.024 3.971 -0.293 1.00 0.00 C ATOM 775 O VAL A 54 10.362 2.965 0.334 1.00 0.00 O ATOM 776 CB VAL A 54 9.040 3.377 -2.557 1.00 0.00 C ATOM 777 CG1 VAL A 54 8.797 1.960 -2.068 1.00 0.00 C ATOM 778 CG2 VAL A 54 7.773 4.205 -2.441 1.00 0.00 C ATOM 0 H VAL A 54 11.508 2.429 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 54 10.242 5.098 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 54 9.319 3.322 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.962 1.524 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.692 1.360 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.562 1.978 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.963 3.708 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.503 4.312 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.942 5.191 -2.874 1.00 0.00 H new ATOM 788 N THR A 55 9.518 5.038 0.303 1.00 0.00 N ATOM 789 CA THR A 55 9.280 5.045 1.735 1.00 0.00 C ATOM 790 C THR A 55 7.842 4.644 2.025 1.00 0.00 C ATOM 791 O THR A 55 7.002 4.631 1.122 1.00 0.00 O ATOM 792 CB THR A 55 9.574 6.423 2.366 1.00 0.00 C ATOM 793 OG1 THR A 55 8.739 7.431 1.783 1.00 0.00 O ATOM 794 CG2 THR A 55 11.038 6.800 2.182 1.00 0.00 C ATOM 0 H THR A 55 9.267 5.902 -0.177 1.00 0.00 H new ATOM 0 HA THR A 55 9.964 4.323 2.183 1.00 0.00 H new ATOM 0 HB THR A 55 9.360 6.356 3.433 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.035 7.611 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.222 7.774 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.669 6.052 2.662 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.272 6.844 1.118 1.00 0.00 H new ATOM 802 N LEU A 56 7.561 4.317 3.279 1.00 0.00 N ATOM 803 CA LEU A 56 6.224 3.901 3.674 1.00 0.00 C ATOM 804 C LEU A 56 5.222 5.024 3.424 1.00 0.00 C ATOM 805 O LEU A 56 4.114 4.782 2.942 1.00 0.00 O ATOM 806 CB LEU A 56 6.217 3.468 5.148 1.00 0.00 C ATOM 807 CG LEU A 56 4.887 2.913 5.675 1.00 0.00 C ATOM 808 CD1 LEU A 56 5.138 1.872 6.749 1.00 0.00 C ATOM 809 CD2 LEU A 56 4.021 4.028 6.241 1.00 0.00 C ATOM 0 H LEU A 56 8.241 4.332 4.039 1.00 0.00 H new ATOM 0 HA LEU A 56 5.926 3.045 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.987 2.709 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.499 4.325 5.760 1.00 0.00 H new ATOM 0 HG LEU A 56 4.362 2.450 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.185 1.488 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.724 1.053 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.685 2.326 7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.084 3.610 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.547 4.516 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.811 4.758 5.459 1.00 0.00 H new ATOM 821 N LYS A 57 5.624 6.258 3.722 1.00 0.00 N ATOM 822 CA LYS A 57 4.733 7.398 3.555 1.00 0.00 C ATOM 823 C LYS A 57 4.432 7.636 2.076 1.00 0.00 C ATOM 824 O LYS A 57 3.350 8.092 1.743 1.00 0.00 O ATOM 825 CB LYS A 57 5.311 8.662 4.203 1.00 0.00 C ATOM 826 CG LYS A 57 4.243 9.593 4.778 1.00 0.00 C ATOM 827 CD LYS A 57 3.430 10.293 3.692 1.00 0.00 C ATOM 828 CE LYS A 57 2.325 11.169 4.272 1.00 0.00 C ATOM 829 NZ LYS A 57 1.220 10.376 4.883 1.00 0.00 N ATOM 0 H LYS A 57 6.552 6.490 4.077 1.00 0.00 H new ATOM 0 HA LYS A 57 3.798 7.165 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.996 8.372 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.896 9.206 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.572 9.019 5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.721 10.342 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.094 10.905 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.990 9.546 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.751 11.831 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.919 11.803 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.371 10.446 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.508 9.380 4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.009 10.748 5.831 1.00 0.00 H new ATOM 843 N ASP A 58 5.376 7.322 1.189 1.00 0.00 N ATOM 844 CA ASP A 58 5.125 7.435 -0.254 1.00 0.00 C ATOM 845 C ASP A 58 3.903 6.615 -0.630 1.00 0.00 C ATOM 846 O ASP A 58 2.963 7.116 -1.258 1.00 0.00 O ATOM 847 CB ASP A 58 6.320 6.954 -1.084 1.00 0.00 C ATOM 848 CG ASP A 58 7.508 7.886 -1.034 1.00 0.00 C ATOM 849 OD1 ASP A 58 7.321 9.106 -1.221 1.00 0.00 O ATOM 850 OD2 ASP A 58 8.640 7.401 -0.810 1.00 0.00 O ATOM 0 H ASP A 58 6.309 6.992 1.435 1.00 0.00 H new ATOM 0 HA ASP A 58 4.959 8.490 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.626 5.970 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.006 6.835 -2.121 1.00 0.00 H new ATOM 855 N ILE A 59 3.925 5.353 -0.215 1.00 0.00 N ATOM 856 CA ILE A 59 2.813 4.442 -0.437 1.00 0.00 C ATOM 857 C ILE A 59 1.526 5.041 0.118 1.00 0.00 C ATOM 858 O ILE A 59 0.521 5.146 -0.584 1.00 0.00 O ATOM 859 CB ILE A 59 3.067 3.080 0.248 1.00 0.00 C ATOM 860 CG1 ILE A 59 4.437 2.517 -0.150 1.00 0.00 C ATOM 861 CG2 ILE A 59 1.963 2.094 -0.101 1.00 0.00 C ATOM 862 CD1 ILE A 59 4.595 2.279 -1.637 1.00 0.00 C ATOM 0 H ILE A 59 4.712 4.936 0.283 1.00 0.00 H new ATOM 0 HA ILE A 59 2.718 4.287 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 59 3.064 3.235 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.213 3.207 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.600 1.577 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.158 1.141 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.004 2.487 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.934 1.947 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.590 1.881 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.843 1.565 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.466 3.220 -2.172 1.00 0.00 H new ATOM 874 N VAL A 60 1.588 5.461 1.376 1.00 0.00 N ATOM 875 CA VAL A 60 0.442 6.050 2.059 1.00 0.00 C ATOM 876 C VAL A 60 -0.069 7.290 1.326 1.00 0.00 C ATOM 877 O VAL A 60 -1.266 7.440 1.117 1.00 0.00 O ATOM 878 CB VAL A 60 0.799 6.427 3.514 1.00 0.00 C ATOM 879 CG1 VAL A 60 -0.384 7.066 4.216 1.00 0.00 C ATOM 880 CG2 VAL A 60 1.268 5.205 4.283 1.00 0.00 C ATOM 0 H VAL A 60 2.430 5.403 1.949 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.347 5.297 2.066 1.00 0.00 H new ATOM 0 HB VAL A 60 1.611 7.153 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.106 7.322 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.678 7.970 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.219 6.366 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.515 5.491 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.475 4.457 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.152 4.788 3.800 1.00 0.00 H new ATOM 890 N ALA A 61 0.850 8.160 0.923 1.00 0.00 N ATOM 891 CA ALA A 61 0.501 9.417 0.270 1.00 0.00 C ATOM 892 C ALA A 61 -0.324 9.183 -0.985 1.00 0.00 C ATOM 893 O ALA A 61 -1.312 9.879 -1.223 1.00 0.00 O ATOM 894 CB ALA A 61 1.756 10.210 -0.065 1.00 0.00 C ATOM 0 H ALA A 61 1.853 8.016 1.039 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.107 9.994 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.477 11.145 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.304 10.428 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.387 9.626 -0.735 1.00 0.00 H new ATOM 900 N VAL A 62 0.076 8.203 -1.784 1.00 0.00 N ATOM 901 CA VAL A 62 -0.661 7.878 -2.999 1.00 0.00 C ATOM 902 C VAL A 62 -2.002 7.231 -2.655 1.00 0.00 C ATOM 903 O VAL A 62 -3.013 7.482 -3.312 1.00 0.00 O ATOM 904 CB VAL A 62 0.153 6.952 -3.924 1.00 0.00 C ATOM 905 CG1 VAL A 62 -0.612 6.648 -5.204 1.00 0.00 C ATOM 906 CG2 VAL A 62 1.496 7.587 -4.244 1.00 0.00 C ATOM 0 H VAL A 62 0.899 7.624 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.843 8.811 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 62 0.322 6.009 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.015 5.993 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.553 6.155 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.818 7.578 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.064 6.926 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.337 8.543 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.051 7.749 -3.320 1.00 0.00 H new ATOM 916 N ILE A 63 -2.010 6.420 -1.604 1.00 0.00 N ATOM 917 CA ILE A 63 -3.233 5.771 -1.144 1.00 0.00 C ATOM 918 C ILE A 63 -4.231 6.804 -0.603 1.00 0.00 C ATOM 919 O ILE A 63 -5.430 6.716 -0.858 1.00 0.00 O ATOM 920 CB ILE A 63 -2.928 4.705 -0.063 1.00 0.00 C ATOM 921 CG1 ILE A 63 -2.081 3.576 -0.655 1.00 0.00 C ATOM 922 CG2 ILE A 63 -4.211 4.148 0.534 1.00 0.00 C ATOM 923 CD1 ILE A 63 -1.699 2.508 0.349 1.00 0.00 C ATOM 0 H ILE A 63 -1.182 6.195 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.682 5.270 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.365 5.185 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.632 3.112 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.173 4.001 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.967 3.402 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.780 4.957 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.808 3.686 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.100 1.742 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.120 2.958 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.601 2.054 0.759 1.00 0.00 H new ATOM 935 N GLU A 64 -3.728 7.798 0.115 1.00 0.00 N ATOM 936 CA GLU A 64 -4.584 8.838 0.679 1.00 0.00 C ATOM 937 C GLU A 64 -5.099 9.752 -0.418 1.00 0.00 C ATOM 938 O GLU A 64 -6.254 10.173 -0.398 1.00 0.00 O ATOM 939 CB GLU A 64 -3.854 9.681 1.723 1.00 0.00 C ATOM 940 CG GLU A 64 -3.325 8.897 2.910 1.00 0.00 C ATOM 941 CD GLU A 64 -2.554 9.779 3.877 1.00 0.00 C ATOM 942 OE1 GLU A 64 -1.355 10.047 3.628 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.135 10.216 4.891 1.00 0.00 O ATOM 0 H GLU A 64 -2.735 7.908 0.322 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.416 8.331 1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.020 10.191 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.532 10.453 2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.157 8.426 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.677 8.095 2.555 1.00 0.00 H new ATOM 950 N ASP A 65 -4.233 10.051 -1.381 1.00 0.00 N ATOM 951 CA ASP A 65 -4.615 10.863 -2.537 1.00 0.00 C ATOM 952 C ASP A 65 -5.691 10.146 -3.345 1.00 0.00 C ATOM 953 O ASP A 65 -6.432 10.757 -4.112 1.00 0.00 O ATOM 954 CB ASP A 65 -3.390 11.144 -3.413 1.00 0.00 C ATOM 955 CG ASP A 65 -3.698 12.061 -4.581 1.00 0.00 C ATOM 956 OD1 ASP A 65 -3.817 13.285 -4.365 1.00 0.00 O ATOM 957 OD2 ASP A 65 -3.814 11.563 -5.721 1.00 0.00 O ATOM 0 H ASP A 65 -3.260 9.744 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.016 11.813 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.608 11.593 -2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.996 10.201 -3.792 1.00 0.00 H new ATOM 962 N GLN A 66 -5.778 8.840 -3.140 1.00 0.00 N ATOM 963 CA GLN A 66 -6.771 8.014 -3.802 1.00 0.00 C ATOM 964 C GLN A 66 -8.112 8.089 -3.071 1.00 0.00 C ATOM 965 O GLN A 66 -9.098 7.483 -3.491 1.00 0.00 O ATOM 966 CB GLN A 66 -6.282 6.571 -3.857 1.00 0.00 C ATOM 967 CG GLN A 66 -6.524 5.912 -5.203 1.00 0.00 C ATOM 968 CD GLN A 66 -5.848 6.656 -6.339 1.00 0.00 C ATOM 969 OE1 GLN A 66 -6.425 7.572 -6.931 1.00 0.00 O ATOM 970 NE2 GLN A 66 -4.624 6.267 -6.649 1.00 0.00 N ATOM 0 H GLN A 66 -5.162 8.326 -2.510 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.916 8.385 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.215 6.546 -3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.784 5.994 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.156 4.886 -5.174 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.596 5.861 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.185 5.505 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.118 6.729 -7.405 1.00 0.00 H new ATOM 979 N GLY A 67 -8.138 8.835 -1.973 1.00 0.00 N ATOM 980 CA GLY A 67 -9.367 9.018 -1.229 1.00 0.00 C ATOM 981 C GLY A 67 -9.434 8.147 0.009 1.00 0.00 C ATOM 982 O GLY A 67 -10.504 7.963 0.589 1.00 0.00 O ATOM 0 H GLY A 67 -7.327 9.317 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.459 10.064 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.215 8.791 -1.875 1.00 0.00 H new ATOM 986 N TYR A 68 -8.294 7.614 0.425 1.00 0.00 N ATOM 987 CA TYR A 68 -8.252 6.745 1.591 1.00 0.00 C ATOM 988 C TYR A 68 -7.582 7.435 2.767 1.00 0.00 C ATOM 989 O TYR A 68 -6.824 8.388 2.595 1.00 0.00 O ATOM 990 CB TYR A 68 -7.525 5.440 1.271 1.00 0.00 C ATOM 991 CG TYR A 68 -8.141 4.645 0.139 1.00 0.00 C ATOM 992 CD1 TYR A 68 -9.312 3.922 0.323 1.00 0.00 C ATOM 993 CD2 TYR A 68 -7.537 4.605 -1.110 1.00 0.00 C ATOM 994 CE1 TYR A 68 -9.865 3.189 -0.709 1.00 0.00 C ATOM 995 CE2 TYR A 68 -8.085 3.878 -2.145 1.00 0.00 C ATOM 996 CZ TYR A 68 -9.244 3.167 -1.939 1.00 0.00 C ATOM 997 OH TYR A 68 -9.785 2.431 -2.972 1.00 0.00 O ATOM 0 H TYR A 68 -7.391 7.767 -0.025 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.282 6.516 1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.489 5.667 1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.506 4.819 2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.798 3.933 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.621 5.153 -1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.779 2.636 -0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.606 3.867 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.224 2.525 -3.770 1.00 0.00 H new ATOM 1007 N ASP A 69 -7.887 6.962 3.963 1.00 0.00 N ATOM 1008 CA ASP A 69 -7.269 7.484 5.172 1.00 0.00 C ATOM 1009 C ASP A 69 -6.333 6.441 5.760 1.00 0.00 C ATOM 1010 O ASP A 69 -6.777 5.428 6.303 1.00 0.00 O ATOM 1011 CB ASP A 69 -8.336 7.880 6.198 1.00 0.00 C ATOM 1012 CG ASP A 69 -9.242 8.992 5.704 1.00 0.00 C ATOM 1013 OD1 ASP A 69 -8.888 10.179 5.880 1.00 0.00 O ATOM 1014 OD2 ASP A 69 -10.314 8.689 5.141 1.00 0.00 O ATOM 0 H ASP A 69 -8.562 6.214 4.124 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.696 8.376 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.940 7.007 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.848 8.198 7.119 1.00 0.00 H new ATOM 1019 N VAL A 70 -5.037 6.670 5.623 1.00 0.00 N ATOM 1020 CA VAL A 70 -4.036 5.729 6.111 1.00 0.00 C ATOM 1021 C VAL A 70 -3.045 6.436 7.029 1.00 0.00 C ATOM 1022 O VAL A 70 -2.470 7.458 6.663 1.00 0.00 O ATOM 1023 CB VAL A 70 -3.273 5.059 4.943 1.00 0.00 C ATOM 1024 CG1 VAL A 70 -2.207 4.105 5.466 1.00 0.00 C ATOM 1025 CG2 VAL A 70 -4.236 4.322 4.025 1.00 0.00 C ATOM 0 H VAL A 70 -4.650 7.502 5.177 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.559 4.953 6.670 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.779 5.844 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.685 3.647 4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.494 4.657 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.678 3.328 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.679 3.858 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.761 3.552 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.959 5.027 3.615 1.00 0.00 H new ATOM 1035 N GLN A 71 -2.864 5.901 8.225 1.00 0.00 N ATOM 1036 CA GLN A 71 -1.956 6.494 9.192 1.00 0.00 C ATOM 1037 C GLN A 71 -1.191 5.402 9.937 1.00 0.00 C ATOM 1038 O GLN A 71 -0.183 4.911 9.391 1.00 0.00 O ATOM 1039 CB GLN A 71 -2.744 7.367 10.172 1.00 0.00 C ATOM 1040 CG GLN A 71 -1.878 8.126 11.164 1.00 0.00 C ATOM 1041 CD GLN A 71 -2.704 8.945 12.130 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -3.001 10.111 11.878 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -3.108 8.333 13.230 1.00 0.00 N ATOM 1044 OXT GLN A 71 -1.599 5.034 11.058 1.00 0.00 O ATOM 0 H GLN A 71 -3.334 5.056 8.550 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.233 7.120 8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.340 8.082 9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.441 6.736 10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.263 7.420 11.722 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.198 8.783 10.622 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.840 7.364 13.402 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.688 8.830 13.906 1.00 0.00 H new TER 1053 GLN A 71