USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 344 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 CYS SG : rot 60:sc= 0.0964 USER MOD Set 1.2: A 9 CYS SG : rot -81:sc= 1.31 USER MOD Set 1.3: A 39 CYS SG : rot 154:sc= 0.514! USER MOD Set 1.4: A 42 CYS SG : rot -42:sc= -1.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.06 (180deg=0.709) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -153:sc= -3.79! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 133:sc= 0.938 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= -1.01! (180deg=-1.95!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.160 12.739 -4.431 1.00 0.00 N ATOM 2 CA MET A 1 -3.497 11.786 -3.557 1.00 0.00 C ATOM 3 C MET A 1 -4.432 10.628 -3.200 1.00 0.00 C ATOM 4 O MET A 1 -5.621 10.666 -3.513 1.00 0.00 O ATOM 5 CB MET A 1 -3.047 12.493 -2.277 1.00 0.00 C ATOM 6 CG MET A 1 -1.683 13.157 -2.469 1.00 0.00 C ATOM 7 SD MET A 1 -1.855 14.634 -3.455 1.00 0.00 S ATOM 8 CE MET A 1 -0.226 14.716 -4.180 1.00 0.00 C ATOM 0 H1 MET A 1 -3.634 13.636 -4.429 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.192 12.359 -5.398 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.129 12.905 -4.092 1.00 0.00 H new ATOM 0 HA MET A 1 -2.631 11.381 -4.082 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.784 13.244 -1.993 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.994 11.774 -1.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.251 13.406 -1.500 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.997 12.463 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.161 15.588 -4.830 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.520 14.796 -3.390 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.041 13.814 -4.763 1.00 0.00 H new ATOM 20 N ASP A 2 -3.859 9.626 -2.549 1.00 0.00 N ATOM 21 CA ASP A 2 -4.626 8.460 -2.146 1.00 0.00 C ATOM 22 C ASP A 2 -3.762 7.573 -1.247 1.00 0.00 C ATOM 23 O ASP A 2 -2.971 6.769 -1.738 1.00 0.00 O ATOM 24 CB ASP A 2 -5.049 7.632 -3.361 1.00 0.00 C ATOM 25 CG ASP A 2 -3.946 7.385 -4.391 1.00 0.00 C ATOM 26 OD1 ASP A 2 -3.187 8.299 -4.746 1.00 0.00 O ATOM 27 OD2 ASP A 2 -3.881 6.178 -4.842 1.00 0.00 O ATOM 0 H ASP A 2 -2.873 9.598 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.515 8.807 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.423 6.669 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.880 8.137 -3.854 1.00 0.00 H new ATOM 32 N ILE A 3 -3.943 7.749 0.054 1.00 0.00 N ATOM 33 CA ILE A 3 -3.191 6.975 1.026 1.00 0.00 C ATOM 34 C ILE A 3 -4.046 5.802 1.510 1.00 0.00 C ATOM 35 O ILE A 3 -5.271 5.869 1.570 1.00 0.00 O ATOM 36 CB ILE A 3 -2.687 7.876 2.155 1.00 0.00 C ATOM 37 CG1 ILE A 3 -1.784 8.985 1.611 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.994 7.055 3.244 1.00 0.00 C ATOM 39 CD1 ILE A 3 -2.522 10.325 1.574 1.00 0.00 C ATOM 0 H ILE A 3 -4.600 8.417 0.457 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.299 6.551 0.566 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.548 8.360 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.894 9.073 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.446 8.724 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.645 7.720 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.698 6.335 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.144 6.525 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.857 11.096 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.398 10.241 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.837 10.595 2.582 1.00 0.00 H new ATOM 51 N TYR A 4 -3.361 4.711 1.858 1.00 0.00 N ATOM 52 CA TYR A 4 -4.024 3.514 2.336 1.00 0.00 C ATOM 53 C TYR A 4 -3.553 3.190 3.746 1.00 0.00 C ATOM 54 O TYR A 4 -2.345 3.137 3.972 1.00 0.00 O ATOM 55 CB TYR A 4 -3.726 2.356 1.387 1.00 0.00 C ATOM 56 CG TYR A 4 -4.580 2.363 0.141 1.00 0.00 C ATOM 57 CD1 TYR A 4 -4.266 3.224 -0.917 1.00 0.00 C ATOM 58 CD2 TYR A 4 -5.684 1.509 0.045 1.00 0.00 C ATOM 59 CE1 TYR A 4 -5.056 3.230 -2.073 1.00 0.00 C ATOM 60 CE2 TYR A 4 -6.475 1.515 -1.111 1.00 0.00 C ATOM 61 CZ TYR A 4 -6.161 2.375 -2.170 1.00 0.00 C ATOM 62 OH TYR A 4 -6.931 2.381 -3.295 1.00 0.00 O ATOM 0 H TYR A 4 -2.344 4.640 1.815 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.101 3.677 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.676 2.394 1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.877 1.415 1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.414 3.884 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.926 0.845 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.813 3.894 -2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.327 0.856 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.655 1.728 -3.199 1.00 0.00 H new ATOM 72 N VAL A 5 -4.496 2.984 4.654 1.00 0.00 N ATOM 73 CA VAL A 5 -4.153 2.668 6.030 1.00 0.00 C ATOM 74 C VAL A 5 -4.714 1.290 6.387 1.00 0.00 C ATOM 75 O VAL A 5 -5.859 0.978 6.063 1.00 0.00 O ATOM 76 CB VAL A 5 -4.651 3.776 6.961 1.00 0.00 C ATOM 77 CG1 VAL A 5 -4.190 3.532 8.399 1.00 0.00 C ATOM 78 CG2 VAL A 5 -4.200 5.151 6.466 1.00 0.00 C ATOM 0 H VAL A 5 -5.497 3.030 4.464 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.071 2.620 6.153 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.741 3.758 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.557 4.334 9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.583 2.578 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.101 3.510 8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.567 5.921 7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.111 5.186 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.600 5.327 5.468 1.00 0.00 H new ATOM 88 N CYS A 6 -3.881 0.501 7.051 1.00 0.00 N ATOM 89 CA CYS A 6 -4.280 -0.836 7.456 1.00 0.00 C ATOM 90 C CYS A 6 -5.309 -0.711 8.581 1.00 0.00 C ATOM 91 O CYS A 6 -5.264 0.236 9.366 1.00 0.00 O ATOM 92 CB CYS A 6 -3.076 -1.682 7.875 1.00 0.00 C ATOM 93 SG CYS A 6 -3.461 -3.431 8.252 1.00 0.00 S ATOM 0 H CYS A 6 -2.932 0.762 7.318 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.730 -1.356 6.610 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.333 -1.652 7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.619 -1.228 8.754 1.00 0.00 H new ATOM 0 HG CYS A 6 -3.972 -3.999 7.200 1.00 0.00 H new ATOM 98 N THR A 7 -6.212 -1.679 8.625 1.00 0.00 N ATOM 99 CA THR A 7 -7.250 -1.689 9.641 1.00 0.00 C ATOM 100 C THR A 7 -6.941 -2.741 10.709 1.00 0.00 C ATOM 101 O THR A 7 -7.835 -3.177 11.433 1.00 0.00 O ATOM 102 CB THR A 7 -8.593 -1.910 8.942 1.00 0.00 C ATOM 103 OG1 THR A 7 -8.338 -2.969 8.024 1.00 0.00 O ATOM 104 CG2 THR A 7 -8.989 -0.731 8.050 1.00 0.00 C ATOM 0 H THR A 7 -6.246 -2.463 7.973 1.00 0.00 H new ATOM 0 HA THR A 7 -7.295 -0.737 10.170 1.00 0.00 H new ATOM 0 HB THR A 7 -9.368 -2.076 9.690 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.158 -3.178 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.949 -0.939 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.070 0.172 8.655 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.230 -0.586 7.281 1.00 0.00 H new ATOM 112 N VAL A 8 -5.673 -3.118 10.773 1.00 0.00 N ATOM 113 CA VAL A 8 -5.235 -4.110 11.740 1.00 0.00 C ATOM 114 C VAL A 8 -4.253 -3.463 12.719 1.00 0.00 C ATOM 115 O VAL A 8 -4.370 -3.642 13.930 1.00 0.00 O ATOM 116 CB VAL A 8 -4.645 -5.322 11.016 1.00 0.00 C ATOM 117 CG1 VAL A 8 -4.157 -6.373 12.015 1.00 0.00 C ATOM 118 CG2 VAL A 8 -5.657 -5.923 10.039 1.00 0.00 C ATOM 0 H VAL A 8 -4.934 -2.754 10.171 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.081 -4.475 12.322 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.784 -4.982 10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.742 -7.224 11.474 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.388 -5.939 12.653 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.993 -6.706 12.630 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.212 -6.783 9.538 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.545 -6.241 10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.935 -5.174 9.297 1.00 0.00 H new ATOM 128 N CYS A 9 -3.308 -2.723 12.158 1.00 0.00 N ATOM 129 CA CYS A 9 -2.307 -2.048 12.966 1.00 0.00 C ATOM 130 C CYS A 9 -2.414 -0.544 12.707 1.00 0.00 C ATOM 131 O CYS A 9 -2.805 0.216 13.592 1.00 0.00 O ATOM 132 CB CYS A 9 -0.900 -2.578 12.683 1.00 0.00 C ATOM 133 SG CYS A 9 -0.636 -3.179 10.974 1.00 0.00 S ATOM 0 H CYS A 9 -3.215 -2.576 11.153 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.493 -2.247 14.021 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.180 -1.786 12.890 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.687 -3.392 13.376 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.102 -4.388 10.862 1.00 0.00 H new ATOM 138 N GLY A 10 -2.060 -0.160 11.489 1.00 0.00 N ATOM 139 CA GLY A 10 -2.111 1.240 11.102 1.00 0.00 C ATOM 140 C GLY A 10 -1.363 1.473 9.788 1.00 0.00 C ATOM 141 O GLY A 10 -1.904 1.985 8.811 1.00 0.00 O ATOM 0 H GLY A 10 -1.737 -0.793 10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.149 1.554 10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.672 1.855 11.888 1.00 0.00 H new ATOM 145 N TYR A 11 -0.088 1.079 9.788 1.00 0.00 N ATOM 146 CA TYR A 11 0.757 1.232 8.620 1.00 0.00 C ATOM 147 C TYR A 11 0.398 2.517 7.887 1.00 0.00 C ATOM 148 O TYR A 11 -0.063 3.459 8.530 1.00 0.00 O ATOM 149 CB TYR A 11 0.585 0.022 7.707 1.00 0.00 C ATOM 150 CG TYR A 11 1.796 -0.264 6.851 1.00 0.00 C ATOM 151 CD1 TYR A 11 3.075 -0.246 7.420 1.00 0.00 C ATOM 152 CD2 TYR A 11 1.639 -0.548 5.490 1.00 0.00 C ATOM 153 CE1 TYR A 11 4.198 -0.512 6.627 1.00 0.00 C ATOM 154 CE2 TYR A 11 2.762 -0.814 4.696 1.00 0.00 C ATOM 155 CZ TYR A 11 4.041 -0.796 5.265 1.00 0.00 C ATOM 156 OH TYR A 11 5.135 -1.056 4.492 1.00 0.00 O ATOM 0 H TYR A 11 0.375 0.652 10.590 1.00 0.00 H new ATOM 0 HA TYR A 11 1.801 1.293 8.927 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.365 -0.855 8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.277 0.185 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.196 -0.027 8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.652 -0.562 5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.185 -0.498 7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.641 -1.033 3.645 1.00 0.00 H new ATOM 0 HH TYR A 11 4.850 -1.234 3.571 1.00 0.00 H new ATOM 166 N GLU A 12 0.609 2.533 6.579 1.00 0.00 N ATOM 167 CA GLU A 12 0.300 3.709 5.785 1.00 0.00 C ATOM 168 C GLU A 12 0.994 3.629 4.424 1.00 0.00 C ATOM 169 O GLU A 12 2.065 4.190 4.204 1.00 0.00 O ATOM 170 CB GLU A 12 0.692 4.989 6.526 1.00 0.00 C ATOM 171 CG GLU A 12 2.076 4.853 7.162 1.00 0.00 C ATOM 172 CD GLU A 12 2.122 5.538 8.529 1.00 0.00 C ATOM 173 OE1 GLU A 12 1.352 5.175 9.431 1.00 0.00 O ATOM 174 OE2 GLU A 12 2.997 6.479 8.638 1.00 0.00 O ATOM 0 H GLU A 12 0.991 1.749 6.049 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.777 3.739 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.688 5.830 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.047 5.207 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.328 3.798 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.827 5.293 6.505 1.00 0.00 H new ATOM 181 N TYR A 13 0.350 2.908 3.504 1.00 0.00 N ATOM 182 CA TYR A 13 0.877 2.733 2.166 1.00 0.00 C ATOM 183 C TYR A 13 0.622 3.988 1.343 1.00 0.00 C ATOM 184 O TYR A 13 -0.413 4.624 1.534 1.00 0.00 O ATOM 185 CB TYR A 13 0.220 1.518 1.517 1.00 0.00 C ATOM 186 CG TYR A 13 0.714 1.242 0.116 1.00 0.00 C ATOM 187 CD1 TYR A 13 1.865 0.471 -0.081 1.00 0.00 C ATOM 188 CD2 TYR A 13 0.019 1.758 -0.985 1.00 0.00 C ATOM 189 CE1 TYR A 13 2.322 0.215 -1.379 1.00 0.00 C ATOM 190 CE2 TYR A 13 0.476 1.502 -2.283 1.00 0.00 C ATOM 191 CZ TYR A 13 1.628 0.730 -2.480 1.00 0.00 C ATOM 192 OH TYR A 13 2.073 0.480 -3.745 1.00 0.00 O ATOM 0 H TYR A 13 -0.540 2.438 3.670 1.00 0.00 H new ATOM 0 HA TYR A 13 1.953 2.566 2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.403 0.641 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.859 1.670 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.401 0.074 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.869 2.353 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.210 -0.380 -1.531 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.060 1.900 -3.132 1.00 0.00 H new ATOM 0 HH TYR A 13 1.787 1.203 -4.341 1.00 0.00 H new ATOM 202 N ASP A 14 1.552 4.316 0.458 1.00 0.00 N ATOM 203 CA ASP A 14 1.406 5.495 -0.379 1.00 0.00 C ATOM 204 C ASP A 14 1.918 5.183 -1.786 1.00 0.00 C ATOM 205 O ASP A 14 2.931 4.514 -1.979 1.00 0.00 O ATOM 206 CB ASP A 14 2.224 6.666 0.172 1.00 0.00 C ATOM 207 CG ASP A 14 1.858 7.097 1.594 1.00 0.00 C ATOM 208 OD1 ASP A 14 2.356 6.535 2.580 1.00 0.00 O ATOM 209 OD2 ASP A 14 1.011 8.068 1.668 1.00 0.00 O ATOM 0 H ASP A 14 2.409 3.786 0.302 1.00 0.00 H new ATOM 0 HA ASP A 14 0.351 5.768 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.279 6.394 0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.101 7.520 -0.494 1.00 0.00 H new ATOM 214 N PRO A 15 1.183 5.689 -2.779 1.00 0.00 N ATOM 215 CA PRO A 15 1.482 5.519 -4.185 1.00 0.00 C ATOM 216 C PRO A 15 2.551 6.518 -4.603 1.00 0.00 C ATOM 217 O PRO A 15 3.164 6.327 -5.652 1.00 0.00 O ATOM 218 CB PRO A 15 0.162 5.797 -4.902 1.00 0.00 C ATOM 219 CG PRO A 15 -0.430 6.911 -3.992 1.00 0.00 C ATOM 220 CD PRO A 15 -0.014 6.479 -2.588 1.00 0.00 C ATOM 0 HA PRO A 15 1.864 4.526 -4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.311 6.136 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.478 4.916 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.029 7.892 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.514 6.975 -4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.180 7.342 -1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.799 5.896 -2.105 1.00 0.00 H new ATOM 228 N ALA A 16 2.752 7.547 -3.793 1.00 0.00 N ATOM 229 CA ALA A 16 3.749 8.559 -4.102 1.00 0.00 C ATOM 230 C ALA A 16 5.144 7.996 -3.821 1.00 0.00 C ATOM 231 O ALA A 16 6.073 8.216 -4.596 1.00 0.00 O ATOM 232 CB ALA A 16 3.458 9.825 -3.294 1.00 0.00 C ATOM 0 H ALA A 16 2.242 7.702 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 16 3.708 8.829 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.205 10.584 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.468 10.201 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.494 9.593 -2.229 1.00 0.00 H new ATOM 238 N LYS A 17 5.246 7.281 -2.710 1.00 0.00 N ATOM 239 CA LYS A 17 6.512 6.685 -2.318 1.00 0.00 C ATOM 240 C LYS A 17 6.518 5.206 -2.710 1.00 0.00 C ATOM 241 O LYS A 17 7.550 4.671 -3.111 1.00 0.00 O ATOM 242 CB LYS A 17 6.780 6.929 -0.831 1.00 0.00 C ATOM 243 CG LYS A 17 8.002 7.828 -0.635 1.00 0.00 C ATOM 244 CD LYS A 17 9.257 6.997 -0.361 1.00 0.00 C ATOM 245 CE LYS A 17 10.499 7.668 -0.951 1.00 0.00 C ATOM 246 NZ LYS A 17 10.581 7.418 -2.407 1.00 0.00 N ATOM 0 H LYS A 17 4.473 7.101 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 17 7.338 7.159 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.906 7.391 -0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.940 5.977 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.154 8.440 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.826 8.511 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.385 6.868 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.139 6.002 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.464 8.741 -0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.394 7.286 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.430 7.880 -2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.636 6.394 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.735 7.804 -2.874 1.00 0.00 H new ATOM 257 N GLY A 18 5.353 4.588 -2.580 1.00 0.00 N ATOM 258 CA GLY A 18 5.212 3.181 -2.916 1.00 0.00 C ATOM 259 C GLY A 18 5.801 2.293 -1.818 1.00 0.00 C ATOM 260 O GLY A 18 5.636 2.575 -0.632 1.00 0.00 O ATOM 0 H GLY A 18 4.499 5.035 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.158 2.941 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.714 2.977 -3.862 1.00 0.00 H new ATOM 264 N ASP A 19 6.475 1.239 -2.252 1.00 0.00 N ATOM 265 CA ASP A 19 7.090 0.308 -1.321 1.00 0.00 C ATOM 266 C ASP A 19 8.481 -0.072 -1.831 1.00 0.00 C ATOM 267 O ASP A 19 8.760 -1.220 -2.172 1.00 0.00 O ATOM 268 CB ASP A 19 6.264 -0.974 -1.198 1.00 0.00 C ATOM 269 CG ASP A 19 5.140 -0.922 -0.161 1.00 0.00 C ATOM 270 OD1 ASP A 19 4.756 0.158 0.311 1.00 0.00 O ATOM 271 OD2 ASP A 19 4.646 -2.068 0.164 1.00 0.00 O ATOM 0 H ASP A 19 6.609 1.009 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 19 7.148 0.794 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.830 -1.203 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.933 -1.797 -0.946 1.00 0.00 H new ATOM 276 N PRO A 20 9.361 0.932 -1.875 1.00 0.00 N ATOM 277 CA PRO A 20 10.730 0.797 -2.321 1.00 0.00 C ATOM 278 C PRO A 20 11.464 -0.193 -1.429 1.00 0.00 C ATOM 279 O PRO A 20 10.806 -0.939 -0.704 1.00 0.00 O ATOM 280 CB PRO A 20 11.325 2.198 -2.188 1.00 0.00 C ATOM 281 CG PRO A 20 10.430 2.935 -1.236 1.00 0.00 C ATOM 282 CD PRO A 20 9.067 2.292 -1.481 1.00 0.00 C ATOM 0 HA PRO A 20 10.808 0.423 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.346 2.154 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.364 2.699 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.753 2.814 -0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.415 4.005 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.451 2.318 -0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.516 2.819 -2.260 1.00 0.00 H new ATOM 290 N ASP A 21 12.787 -0.186 -1.495 1.00 0.00 N ATOM 291 CA ASP A 21 13.582 -1.094 -0.684 1.00 0.00 C ATOM 292 C ASP A 21 13.635 -2.463 -1.364 1.00 0.00 C ATOM 293 O ASP A 21 13.675 -3.493 -0.692 1.00 0.00 O ATOM 294 CB ASP A 21 12.964 -1.278 0.703 1.00 0.00 C ATOM 295 CG ASP A 21 13.963 -1.589 1.819 1.00 0.00 C ATOM 296 OD1 ASP A 21 14.816 -0.757 2.163 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.840 -2.757 2.352 1.00 0.00 O ATOM 0 H ASP A 21 13.329 0.434 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 21 14.580 -0.668 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.420 -0.371 0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.233 -2.085 0.655 1.00 0.00 H new ATOM 302 N SER A 22 13.634 -2.432 -2.689 1.00 0.00 N ATOM 303 CA SER A 22 13.681 -3.658 -3.467 1.00 0.00 C ATOM 304 C SER A 22 12.360 -4.417 -3.329 1.00 0.00 C ATOM 305 O SER A 22 12.170 -5.171 -2.375 1.00 0.00 O ATOM 306 CB SER A 22 14.850 -4.543 -3.028 1.00 0.00 C ATOM 307 OG SER A 22 15.162 -5.536 -4.002 1.00 0.00 O ATOM 0 H SER A 22 13.601 -1.576 -3.243 1.00 0.00 H new ATOM 0 HA SER A 22 13.832 -3.394 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.728 -3.922 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.604 -5.027 -2.083 1.00 0.00 H new ATOM 0 HG SER A 22 15.914 -6.079 -3.686 1.00 0.00 H new ATOM 313 N GLY A 23 11.481 -4.191 -4.294 1.00 0.00 N ATOM 314 CA GLY A 23 10.183 -4.844 -4.292 1.00 0.00 C ATOM 315 C GLY A 23 9.171 -4.055 -5.125 1.00 0.00 C ATOM 316 O GLY A 23 8.604 -4.581 -6.081 1.00 0.00 O ATOM 0 H GLY A 23 11.642 -3.565 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.279 -5.854 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.821 -4.939 -3.268 1.00 0.00 H new ATOM 320 N ILE A 24 8.976 -2.805 -4.732 1.00 0.00 N ATOM 321 CA ILE A 24 8.042 -1.938 -5.430 1.00 0.00 C ATOM 322 C ILE A 24 8.760 -0.653 -5.846 1.00 0.00 C ATOM 323 O ILE A 24 9.632 -0.165 -5.130 1.00 0.00 O ATOM 324 CB ILE A 24 6.794 -1.697 -4.578 1.00 0.00 C ATOM 325 CG1 ILE A 24 6.259 -3.012 -4.006 1.00 0.00 C ATOM 326 CG2 ILE A 24 5.727 -0.940 -5.370 1.00 0.00 C ATOM 327 CD1 ILE A 24 5.753 -3.929 -5.121 1.00 0.00 C ATOM 0 H ILE A 24 9.449 -2.372 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 24 7.688 -2.416 -6.343 1.00 0.00 H new ATOM 0 HB ILE A 24 7.073 -1.068 -3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.046 -3.516 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.450 -2.806 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.851 -0.782 -4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.125 0.024 -5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.444 -1.522 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.378 -4.856 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.949 -3.432 -5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.570 -4.153 -5.807 1.00 0.00 H new ATOM 339 N LYS A 25 8.365 -0.140 -7.003 1.00 0.00 N ATOM 340 CA LYS A 25 8.960 1.079 -7.523 1.00 0.00 C ATOM 341 C LYS A 25 8.102 2.276 -7.109 1.00 0.00 C ATOM 342 O LYS A 25 6.898 2.171 -6.891 1.00 0.00 O ATOM 343 CB LYS A 25 9.175 0.969 -9.034 1.00 0.00 C ATOM 344 CG LYS A 25 10.634 0.642 -9.358 1.00 0.00 C ATOM 345 CD LYS A 25 10.913 -0.853 -9.183 1.00 0.00 C ATOM 346 CE LYS A 25 11.447 -1.465 -10.479 1.00 0.00 C ATOM 347 NZ LYS A 25 10.400 -2.276 -11.140 1.00 0.00 N ATOM 0 H LYS A 25 7.640 -0.547 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 25 9.950 1.232 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.526 0.194 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.893 1.906 -9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.858 0.940 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.293 1.217 -8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.637 -1.000 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.998 -1.365 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.781 -0.674 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.315 -2.088 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.780 -2.684 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.101 -3.042 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.583 -1.673 -11.364 1.00 0.00 H new ATOM 358 N PRO A 26 8.760 3.434 -7.007 1.00 0.00 N ATOM 359 CA PRO A 26 8.148 4.690 -6.632 1.00 0.00 C ATOM 360 C PRO A 26 7.097 5.073 -7.664 1.00 0.00 C ATOM 361 O PRO A 26 7.385 5.005 -8.858 1.00 0.00 O ATOM 362 CB PRO A 26 9.296 5.697 -6.620 1.00 0.00 C ATOM 363 CG PRO A 26 10.363 5.083 -7.529 1.00 0.00 C ATOM 364 CD PRO A 26 10.177 3.593 -7.257 1.00 0.00 C ATOM 0 HA PRO A 26 7.645 4.645 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.973 6.670 -6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 26 9.677 5.851 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.200 5.332 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.366 5.424 -7.272 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.498 2.993 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.768 3.271 -6.400 1.00 0.00 H new ATOM 372 N GLY A 27 5.919 5.460 -7.197 1.00 0.00 N ATOM 373 CA GLY A 27 4.846 5.845 -8.098 1.00 0.00 C ATOM 374 C GLY A 27 4.065 4.620 -8.576 1.00 0.00 C ATOM 375 O GLY A 27 3.824 4.461 -9.772 1.00 0.00 O ATOM 0 H GLY A 27 5.684 5.515 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.172 6.536 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.260 6.375 -8.956 1.00 0.00 H new ATOM 379 N THR A 28 3.692 3.784 -7.618 1.00 0.00 N ATOM 380 CA THR A 28 2.943 2.578 -7.927 1.00 0.00 C ATOM 381 C THR A 28 1.560 2.627 -7.274 1.00 0.00 C ATOM 382 O THR A 28 1.449 2.771 -6.058 1.00 0.00 O ATOM 383 CB THR A 28 3.781 1.376 -7.486 1.00 0.00 C ATOM 384 OG1 THR A 28 4.999 1.517 -8.213 1.00 0.00 O ATOM 385 CG2 THR A 28 3.204 0.048 -7.980 1.00 0.00 C ATOM 0 H THR A 28 3.895 3.918 -6.627 1.00 0.00 H new ATOM 0 HA THR A 28 2.759 2.490 -8.998 1.00 0.00 H new ATOM 0 HB THR A 28 3.849 1.360 -6.398 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.758 1.388 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.836 -0.772 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.197 -0.081 -7.583 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.167 0.050 -9.069 1.00 0.00 H new ATOM 393 N LYS A 29 0.541 2.503 -8.111 1.00 0.00 N ATOM 394 CA LYS A 29 -0.830 2.531 -7.631 1.00 0.00 C ATOM 395 C LYS A 29 -1.063 1.342 -6.697 1.00 0.00 C ATOM 396 O LYS A 29 -0.299 0.377 -6.712 1.00 0.00 O ATOM 397 CB LYS A 29 -1.808 2.591 -8.806 1.00 0.00 C ATOM 398 CG LYS A 29 -1.963 4.024 -9.318 1.00 0.00 C ATOM 399 CD LYS A 29 -1.989 4.061 -10.847 1.00 0.00 C ATOM 400 CE LYS A 29 -3.339 4.564 -11.361 1.00 0.00 C ATOM 401 NZ LYS A 29 -3.248 5.990 -11.748 1.00 0.00 N ATOM 0 H LYS A 29 0.637 2.383 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.011 3.435 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.453 1.949 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.779 2.205 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.883 4.457 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.140 4.636 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.193 4.709 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.794 3.064 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.654 3.968 -12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.098 4.438 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.173 6.315 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.969 6.557 -10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.538 6.101 -12.500 1.00 0.00 H new ATOM 412 N PHE A 30 -2.120 1.450 -5.906 1.00 0.00 N ATOM 413 CA PHE A 30 -2.463 0.395 -4.967 1.00 0.00 C ATOM 414 C PHE A 30 -3.297 -0.693 -5.646 1.00 0.00 C ATOM 415 O PHE A 30 -3.747 -1.634 -4.992 1.00 0.00 O ATOM 416 CB PHE A 30 -3.294 1.039 -3.855 1.00 0.00 C ATOM 417 CG PHE A 30 -3.670 0.080 -2.724 1.00 0.00 C ATOM 418 CD1 PHE A 30 -2.785 -0.168 -1.721 1.00 0.00 C ATOM 419 CD2 PHE A 30 -4.888 -0.525 -2.722 1.00 0.00 C ATOM 420 CE1 PHE A 30 -3.134 -1.058 -0.671 1.00 0.00 C ATOM 421 CE2 PHE A 30 -5.236 -1.415 -1.672 1.00 0.00 C ATOM 422 CZ PHE A 30 -4.352 -1.663 -0.668 1.00 0.00 C ATOM 0 H PHE A 30 -2.750 2.252 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.556 -0.069 -4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.736 1.876 -3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.206 1.449 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.817 0.312 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.590 -0.329 -3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.432 -1.255 0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.203 -1.896 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.617 -2.340 0.131 1.00 0.00 H new ATOM 432 N GLU A 31 -3.479 -0.529 -6.948 1.00 0.00 N ATOM 433 CA GLU A 31 -4.252 -1.486 -7.722 1.00 0.00 C ATOM 434 C GLU A 31 -3.329 -2.303 -8.629 1.00 0.00 C ATOM 435 O GLU A 31 -3.771 -3.248 -9.280 1.00 0.00 O ATOM 436 CB GLU A 31 -5.339 -0.782 -8.537 1.00 0.00 C ATOM 437 CG GLU A 31 -6.733 -1.169 -8.040 1.00 0.00 C ATOM 438 CD GLU A 31 -7.284 -0.116 -7.076 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.846 0.896 -7.519 1.00 0.00 O ATOM 440 OE2 GLU A 31 -7.111 -0.380 -5.825 1.00 0.00 O ATOM 0 H GLU A 31 -3.105 0.252 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.747 -2.168 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.210 0.298 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.238 -1.046 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.408 -1.279 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.689 -2.137 -7.541 1.00 0.00 H new ATOM 447 N ASP A 32 -2.064 -1.909 -8.642 1.00 0.00 N ATOM 448 CA ASP A 32 -1.075 -2.592 -9.458 1.00 0.00 C ATOM 449 C ASP A 32 -0.197 -3.467 -8.561 1.00 0.00 C ATOM 450 O ASP A 32 0.606 -4.258 -9.054 1.00 0.00 O ATOM 451 CB ASP A 32 -0.169 -1.592 -10.178 1.00 0.00 C ATOM 452 CG ASP A 32 -0.865 -0.733 -11.235 1.00 0.00 C ATOM 453 OD1 ASP A 32 -2.063 -0.431 -11.125 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.115 -0.363 -12.217 1.00 0.00 O ATOM 0 H ASP A 32 -1.701 -1.125 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.604 -3.194 -10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.282 -0.933 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.644 -2.139 -10.654 1.00 0.00 H new ATOM 459 N LEU A 33 -0.378 -3.295 -7.260 1.00 0.00 N ATOM 460 CA LEU A 33 0.388 -4.058 -6.290 1.00 0.00 C ATOM 461 C LEU A 33 0.322 -5.544 -6.650 1.00 0.00 C ATOM 462 O LEU A 33 -0.673 -6.046 -7.167 1.00 0.00 O ATOM 463 CB LEU A 33 -0.086 -3.748 -4.869 1.00 0.00 C ATOM 464 CG LEU A 33 0.335 -2.390 -4.303 1.00 0.00 C ATOM 465 CD1 LEU A 33 -0.421 -2.077 -3.010 1.00 0.00 C ATOM 466 CD2 LEU A 33 1.852 -2.323 -4.111 1.00 0.00 C ATOM 0 H LEU A 33 -1.045 -2.638 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 33 1.438 -3.768 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.174 -3.806 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.287 -4.528 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 33 0.068 -1.620 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.103 -1.107 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.492 -2.055 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.207 -2.846 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.125 -1.348 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.166 -3.103 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.347 -2.470 -5.071 1.00 0.00 H new ATOM 478 N PRO A 34 1.421 -6.244 -6.360 1.00 0.00 N ATOM 479 CA PRO A 34 1.576 -7.660 -6.612 1.00 0.00 C ATOM 480 C PRO A 34 0.286 -8.386 -6.258 1.00 0.00 C ATOM 481 O PRO A 34 -0.545 -7.812 -5.557 1.00 0.00 O ATOM 482 CB PRO A 34 2.719 -8.098 -5.698 1.00 0.00 C ATOM 483 CG PRO A 34 3.582 -6.856 -5.637 1.00 0.00 C ATOM 484 CD PRO A 34 2.609 -5.685 -5.751 1.00 0.00 C ATOM 0 HA PRO A 34 1.791 -7.884 -7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.360 -8.392 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.262 -8.950 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.143 -6.812 -4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.311 -6.843 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.388 -5.259 -4.772 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.026 -4.883 -6.361 1.00 0.00 H new ATOM 492 N ASP A 35 0.143 -9.612 -6.741 1.00 0.00 N ATOM 493 CA ASP A 35 -1.052 -10.391 -6.463 1.00 0.00 C ATOM 494 C ASP A 35 -0.781 -11.331 -5.288 1.00 0.00 C ATOM 495 O ASP A 35 -1.441 -12.360 -5.146 1.00 0.00 O ATOM 496 CB ASP A 35 -1.446 -11.244 -7.671 1.00 0.00 C ATOM 497 CG ASP A 35 -2.114 -10.477 -8.814 1.00 0.00 C ATOM 498 OD1 ASP A 35 -1.449 -9.461 -9.251 1.00 0.00 O ATOM 499 OD2 ASP A 35 -3.213 -10.832 -9.265 1.00 0.00 O ATOM 0 H ASP A 35 0.835 -10.085 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.861 -9.698 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.553 -11.735 -8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.123 -12.030 -7.336 1.00 0.00 H new ATOM 504 N ASP A 36 0.191 -10.946 -4.474 1.00 0.00 N ATOM 505 CA ASP A 36 0.557 -11.742 -3.315 1.00 0.00 C ATOM 506 C ASP A 36 1.126 -10.825 -2.231 1.00 0.00 C ATOM 507 O ASP A 36 1.859 -11.277 -1.352 1.00 0.00 O ATOM 508 CB ASP A 36 1.629 -12.774 -3.672 1.00 0.00 C ATOM 509 CG ASP A 36 2.951 -12.187 -4.170 1.00 0.00 C ATOM 510 OD1 ASP A 36 2.966 -11.855 -5.417 1.00 0.00 O ATOM 511 OD2 ASP A 36 3.919 -12.053 -3.406 1.00 0.00 O ATOM 0 H ASP A 36 0.737 -10.093 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.337 -12.257 -2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.829 -13.387 -2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.231 -13.438 -4.440 1.00 0.00 H new ATOM 516 N TRP A 37 0.768 -9.553 -2.329 1.00 0.00 N ATOM 517 CA TRP A 37 1.234 -8.568 -1.367 1.00 0.00 C ATOM 518 C TRP A 37 0.258 -8.560 -0.189 1.00 0.00 C ATOM 519 O TRP A 37 -0.943 -8.750 -0.371 1.00 0.00 O ATOM 520 CB TRP A 37 1.393 -7.195 -2.022 1.00 0.00 C ATOM 521 CG TRP A 37 2.070 -6.154 -1.128 1.00 0.00 C ATOM 522 CD1 TRP A 37 3.374 -5.859 -1.047 1.00 0.00 C ATOM 523 CD2 TRP A 37 1.419 -5.275 -0.186 1.00 0.00 C ATOM 524 NE1 TRP A 37 3.611 -4.860 -0.125 1.00 0.00 N ATOM 525 CE2 TRP A 37 2.384 -4.494 0.415 1.00 0.00 C ATOM 526 CE3 TRP A 37 0.059 -5.146 0.147 1.00 0.00 C ATOM 527 CZ2 TRP A 37 2.093 -3.527 1.386 1.00 0.00 C ATOM 528 CZ3 TRP A 37 -0.215 -4.176 1.119 1.00 0.00 C ATOM 529 CH2 TRP A 37 0.745 -3.381 1.734 1.00 0.00 C ATOM 0 H TRP A 37 0.161 -9.182 -3.060 1.00 0.00 H new ATOM 0 HA TRP A 37 2.225 -8.829 -0.996 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.974 -7.306 -2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.409 -6.826 -2.311 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.144 -6.342 -1.630 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.519 -4.463 0.116 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.713 -5.747 -0.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.867 -2.927 1.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.245 -4.036 1.411 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.452 -2.654 2.477 1.00 0.00 H new ATOM 540 N ALA A 38 0.811 -8.338 0.995 1.00 0.00 N ATOM 541 CA ALA A 38 0.004 -8.302 2.203 1.00 0.00 C ATOM 542 C ALA A 38 0.693 -7.418 3.245 1.00 0.00 C ATOM 543 O ALA A 38 1.916 -7.282 3.239 1.00 0.00 O ATOM 544 CB ALA A 38 -0.223 -9.728 2.707 1.00 0.00 C ATOM 0 H ALA A 38 1.808 -8.181 1.143 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.975 -7.869 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.828 -9.702 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.741 -10.306 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.738 -10.194 2.926 1.00 0.00 H new ATOM 550 N CYS A 39 -0.122 -6.839 4.115 1.00 0.00 N ATOM 551 CA CYS A 39 0.394 -5.972 5.160 1.00 0.00 C ATOM 552 C CYS A 39 1.638 -6.630 5.760 1.00 0.00 C ATOM 553 O CYS A 39 1.563 -7.541 6.581 1.00 0.00 O ATOM 554 CB CYS A 39 -0.665 -5.678 6.225 1.00 0.00 C ATOM 555 SG CYS A 39 -0.127 -4.534 7.548 1.00 0.00 S ATOM 0 H CYS A 39 -1.136 -6.954 4.117 1.00 0.00 H new ATOM 0 HA CYS A 39 0.665 -5.006 4.733 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.544 -5.258 5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.973 -6.619 6.681 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.164 -3.930 8.048 1.00 0.00 H new ATOM 560 N PRO A 40 2.801 -6.140 5.325 1.00 0.00 N ATOM 561 CA PRO A 40 4.099 -6.611 5.759 1.00 0.00 C ATOM 562 C PRO A 40 4.306 -6.256 7.224 1.00 0.00 C ATOM 563 O PRO A 40 5.344 -6.612 7.780 1.00 0.00 O ATOM 564 CB PRO A 40 5.099 -5.875 4.871 1.00 0.00 C ATOM 565 CG PRO A 40 4.309 -5.255 3.740 1.00 0.00 C ATOM 566 CD PRO A 40 2.926 -5.068 4.360 1.00 0.00 C ATOM 0 HA PRO A 40 4.209 -7.692 5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.628 -5.109 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.852 -6.562 4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.740 -4.307 3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.276 -5.904 2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.837 -4.093 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.143 -5.124 3.604 1.00 0.00 H new ATOM 574 N VAL A 41 3.335 -5.574 7.814 1.00 0.00 N ATOM 575 CA VAL A 41 3.436 -5.185 9.210 1.00 0.00 C ATOM 576 C VAL A 41 2.858 -6.297 10.088 1.00 0.00 C ATOM 577 O VAL A 41 3.581 -6.919 10.864 1.00 0.00 O ATOM 578 CB VAL A 41 2.750 -3.835 9.427 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.968 -3.332 10.856 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.231 -2.804 8.404 1.00 0.00 C ATOM 0 H VAL A 41 2.475 -5.281 7.351 1.00 0.00 H new ATOM 0 HA VAL A 41 4.480 -5.054 9.496 1.00 0.00 H new ATOM 0 HB VAL A 41 1.679 -3.977 9.281 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.470 -2.371 10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.554 -4.052 11.562 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.036 -3.215 11.042 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.728 -1.854 8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.308 -2.668 8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.001 -3.155 7.398 1.00 0.00 H new ATOM 590 N CYS A 42 1.559 -6.513 9.936 1.00 0.00 N ATOM 591 CA CYS A 42 0.876 -7.539 10.705 1.00 0.00 C ATOM 592 C CYS A 42 0.640 -8.745 9.794 1.00 0.00 C ATOM 593 O CYS A 42 0.751 -9.889 10.231 1.00 0.00 O ATOM 594 CB CYS A 42 -0.429 -7.017 11.311 1.00 0.00 C ATOM 595 SG CYS A 42 -1.651 -6.409 10.092 1.00 0.00 S ATOM 0 H CYS A 42 0.962 -5.995 9.292 1.00 0.00 H new ATOM 0 HA CYS A 42 1.497 -7.839 11.549 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.886 -7.815 11.896 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.194 -6.209 12.003 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.042 -5.721 9.173 1.00 0.00 H new ATOM 600 N GLY A 43 0.319 -8.448 8.543 1.00 0.00 N ATOM 601 CA GLY A 43 0.067 -9.493 7.566 1.00 0.00 C ATOM 602 C GLY A 43 -1.234 -9.229 6.804 1.00 0.00 C ATOM 603 O GLY A 43 -1.370 -9.624 5.647 1.00 0.00 O ATOM 0 H GLY A 43 0.228 -7.498 8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.899 -9.548 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.009 -10.459 8.068 1.00 0.00 H new ATOM 607 N ALA A 44 -2.156 -8.564 7.484 1.00 0.00 N ATOM 608 CA ALA A 44 -3.440 -8.243 6.885 1.00 0.00 C ATOM 609 C ALA A 44 -3.300 -8.232 5.362 1.00 0.00 C ATOM 610 O ALA A 44 -2.378 -7.619 4.825 1.00 0.00 O ATOM 611 CB ALA A 44 -3.939 -6.905 7.435 1.00 0.00 C ATOM 0 H ALA A 44 -2.039 -8.239 8.444 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.183 -8.999 7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.902 -6.664 6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.050 -6.975 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.220 -6.122 7.194 1.00 0.00 H new ATOM 617 N SER A 45 -4.227 -8.917 4.709 1.00 0.00 N ATOM 618 CA SER A 45 -4.218 -8.994 3.258 1.00 0.00 C ATOM 619 C SER A 45 -4.304 -7.588 2.659 1.00 0.00 C ATOM 620 O SER A 45 -4.199 -6.596 3.378 1.00 0.00 O ATOM 621 CB SER A 45 -5.370 -9.860 2.745 1.00 0.00 C ATOM 622 OG SER A 45 -4.968 -10.696 1.663 1.00 0.00 O ATOM 0 H SER A 45 -4.990 -9.424 5.158 1.00 0.00 H new ATOM 0 HA SER A 45 -3.283 -9.459 2.946 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.750 -10.478 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.190 -9.219 2.422 1.00 0.00 H new ATOM 0 HG SER A 45 -5.731 -11.234 1.365 1.00 0.00 H new ATOM 628 N LYS A 46 -4.493 -7.549 1.349 1.00 0.00 N ATOM 629 CA LYS A 46 -4.594 -6.281 0.645 1.00 0.00 C ATOM 630 C LYS A 46 -6.064 -5.868 0.557 1.00 0.00 C ATOM 631 O LYS A 46 -6.471 -5.211 -0.400 1.00 0.00 O ATOM 632 CB LYS A 46 -3.896 -6.366 -0.714 1.00 0.00 C ATOM 633 CG LYS A 46 -3.419 -4.987 -1.173 1.00 0.00 C ATOM 634 CD LYS A 46 -2.372 -5.109 -2.281 1.00 0.00 C ATOM 635 CE LYS A 46 -3.036 -5.189 -3.657 1.00 0.00 C ATOM 636 NZ LYS A 46 -3.717 -3.915 -3.979 1.00 0.00 N ATOM 0 H LYS A 46 -4.579 -8.374 0.756 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.075 -5.497 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.046 -7.045 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.581 -6.782 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.268 -4.406 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.997 -4.444 -0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.700 -4.252 -2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.763 -5.998 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.286 -5.409 -4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.756 -6.007 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.718 -4.100 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.649 -3.270 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.263 -3.478 -4.806 1.00 0.00 H new ATOM 647 N ASP A 47 -6.820 -6.269 1.567 1.00 0.00 N ATOM 648 CA ASP A 47 -8.237 -5.949 1.616 1.00 0.00 C ATOM 649 C ASP A 47 -8.510 -5.048 2.822 1.00 0.00 C ATOM 650 O ASP A 47 -9.243 -4.065 2.714 1.00 0.00 O ATOM 651 CB ASP A 47 -9.083 -7.214 1.769 1.00 0.00 C ATOM 652 CG ASP A 47 -10.020 -7.511 0.597 1.00 0.00 C ATOM 653 OD1 ASP A 47 -10.489 -6.594 -0.094 1.00 0.00 O ATOM 654 OD2 ASP A 47 -10.269 -8.762 0.402 1.00 0.00 O ATOM 0 H ASP A 47 -6.478 -6.813 2.359 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.502 -5.449 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.416 -8.065 1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.679 -7.127 2.678 1.00 0.00 H new ATOM 659 N ALA A 48 -7.906 -5.414 3.943 1.00 0.00 N ATOM 660 CA ALA A 48 -8.076 -4.652 5.168 1.00 0.00 C ATOM 661 C ALA A 48 -7.972 -3.158 4.852 1.00 0.00 C ATOM 662 O ALA A 48 -8.931 -2.412 5.042 1.00 0.00 O ATOM 663 CB ALA A 48 -7.038 -5.103 6.198 1.00 0.00 C ATOM 0 H ALA A 48 -7.298 -6.229 4.028 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.061 -4.831 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.165 -4.531 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.172 -6.164 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.036 -4.935 5.802 1.00 0.00 H new ATOM 669 N PHE A 49 -6.799 -2.767 4.376 1.00 0.00 N ATOM 670 CA PHE A 49 -6.557 -1.376 4.032 1.00 0.00 C ATOM 671 C PHE A 49 -7.809 -0.735 3.428 1.00 0.00 C ATOM 672 O PHE A 49 -8.609 -1.413 2.786 1.00 0.00 O ATOM 673 CB PHE A 49 -5.438 -1.361 2.990 1.00 0.00 C ATOM 674 CG PHE A 49 -4.062 -1.730 3.549 1.00 0.00 C ATOM 675 CD1 PHE A 49 -3.261 -0.765 4.075 1.00 0.00 C ATOM 676 CD2 PHE A 49 -3.641 -3.023 3.520 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.984 -1.108 4.594 1.00 0.00 C ATOM 678 CE2 PHE A 49 -2.364 -3.365 4.039 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.563 -2.400 4.565 1.00 0.00 C ATOM 0 H PHE A 49 -6.006 -3.389 4.220 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.288 -0.813 4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.692 -2.056 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.383 -0.368 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.596 0.262 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.277 -3.789 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.347 -0.342 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.029 -4.391 4.016 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.592 -2.660 4.960 1.00 0.00 H new ATOM 689 N GLU A 50 -7.938 0.564 3.656 1.00 0.00 N ATOM 690 CA GLU A 50 -9.078 1.304 3.143 1.00 0.00 C ATOM 691 C GLU A 50 -8.681 2.751 2.845 1.00 0.00 C ATOM 692 O GLU A 50 -8.216 3.466 3.731 1.00 0.00 O ATOM 693 CB GLU A 50 -10.254 1.248 4.120 1.00 0.00 C ATOM 694 CG GLU A 50 -9.815 1.652 5.529 1.00 0.00 C ATOM 695 CD GLU A 50 -11.024 1.985 6.405 1.00 0.00 C ATOM 696 OE1 GLU A 50 -11.569 3.130 6.170 1.00 0.00 O ATOM 697 OE2 GLU A 50 -11.409 1.177 7.264 1.00 0.00 O ATOM 0 H GLU A 50 -7.272 1.123 4.189 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.400 0.837 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.048 1.912 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.668 0.240 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.245 0.841 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.152 2.516 5.474 1.00 0.00 H new ATOM 704 N LYS A 51 -8.880 3.141 1.594 1.00 0.00 N ATOM 705 CA LYS A 51 -8.549 4.490 1.169 1.00 0.00 C ATOM 706 C LYS A 51 -8.949 5.478 2.266 1.00 0.00 C ATOM 707 O LYS A 51 -10.112 5.865 2.364 1.00 0.00 O ATOM 708 CB LYS A 51 -9.180 4.793 -0.192 1.00 0.00 C ATOM 709 CG LYS A 51 -8.814 6.201 -0.664 1.00 0.00 C ATOM 710 CD LYS A 51 -9.830 6.719 -1.684 1.00 0.00 C ATOM 711 CE LYS A 51 -10.984 7.445 -0.989 1.00 0.00 C ATOM 712 NZ LYS A 51 -11.704 8.311 -1.948 1.00 0.00 N ATOM 0 H LYS A 51 -9.266 2.546 0.861 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.473 4.591 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.842 4.060 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.264 4.699 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.775 6.876 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.819 6.192 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.337 7.396 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.220 5.886 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.673 6.718 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.600 8.046 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.484 8.796 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.048 9.017 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.087 7.730 -2.720 1.00 0.00 H new ATOM 723 N GLN A 52 -7.961 5.860 3.063 1.00 0.00 N ATOM 724 CA GLN A 52 -8.196 6.796 4.149 1.00 0.00 C ATOM 725 C GLN A 52 -8.923 8.039 3.632 1.00 0.00 C ATOM 726 O GLN A 52 -8.960 8.283 2.427 1.00 0.00 O ATOM 727 CB GLN A 52 -6.884 7.176 4.838 1.00 0.00 C ATOM 728 CG GLN A 52 -7.050 7.200 6.359 1.00 0.00 C ATOM 729 CD GLN A 52 -6.668 8.567 6.931 1.00 0.00 C ATOM 730 OE1 GLN A 52 -6.972 9.609 6.373 1.00 0.00 O ATOM 731 NE2 GLN A 52 -5.985 8.505 8.071 1.00 0.00 N ATOM 732 OXT GLN A 52 -9.464 8.775 4.484 1.00 0.00 O ATOM 0 H GLN A 52 -6.997 5.538 2.978 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.831 6.310 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.106 6.463 4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.556 8.155 4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.083 6.969 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.427 6.427 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.764 7.599 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.683 9.363 8.532 1.00 0.00 H new TER 741 GLN A 52