USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 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 63 HIS : no HD1:sc= -2.27! K(o=-2.4!,f=-0.83) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.176 K(o=-2.4,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0222 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 44:sc= 0.191 USER MOD Single : A 11 SER OG : rot 16:sc= 0.528 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0163 USER MOD Single : A 14 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.74) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.95) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 54 THR OG1 : rot 156:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0395 X(o=-0.039,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 65 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=-0.0074) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -54.111 35.470 3.244 1.00 0.00 N ATOM 2 CA MET A 1 -54.826 34.820 2.160 1.00 0.00 C ATOM 3 C MET A 1 -55.913 33.888 2.700 1.00 0.00 C ATOM 4 O MET A 1 -55.663 32.706 2.931 1.00 0.00 O ATOM 5 CB MET A 1 -53.842 34.017 1.308 1.00 0.00 C ATOM 6 CG MET A 1 -53.112 34.921 0.312 1.00 0.00 C ATOM 7 SD MET A 1 -51.439 35.209 0.862 1.00 0.00 S ATOM 8 CE MET A 1 -51.338 36.977 0.637 1.00 0.00 C ATOM 0 H1 MET A 1 -53.116 35.602 2.973 1.00 0.00 H new ATOM 0 H2 MET A 1 -54.543 36.396 3.439 1.00 0.00 H new ATOM 0 H3 MET A 1 -54.162 34.878 4.098 1.00 0.00 H new ATOM 0 HA MET A 1 -55.303 35.589 1.552 1.00 0.00 H new ATOM 0 HB2 MET A 1 -53.117 33.522 1.954 1.00 0.00 H new ATOM 0 HB3 MET A 1 -54.376 33.234 0.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 -53.105 34.458 -0.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 -53.640 35.870 0.215 1.00 0.00 H new ATOM 0 HE1 MET A 1 -50.349 37.326 0.936 1.00 0.00 H new ATOM 0 HE2 MET A 1 -51.507 37.221 -0.412 1.00 0.00 H new ATOM 0 HE3 MET A 1 -52.096 37.466 1.250 1.00 0.00 H new ATOM 18 N GLU A 2 -57.096 34.455 2.886 1.00 0.00 N ATOM 19 CA GLU A 2 -58.221 33.690 3.395 1.00 0.00 C ATOM 20 C GLU A 2 -59.505 34.083 2.662 1.00 0.00 C ATOM 21 O GLU A 2 -60.021 35.183 2.852 1.00 0.00 O ATOM 22 CB GLU A 2 -58.373 33.877 4.905 1.00 0.00 C ATOM 23 CG GLU A 2 -58.487 32.527 5.616 1.00 0.00 C ATOM 24 CD GLU A 2 -57.138 31.805 5.643 1.00 0.00 C ATOM 25 OE1 GLU A 2 -56.351 31.996 6.582 1.00 0.00 O ATOM 26 OE2 GLU A 2 -56.919 31.022 4.642 1.00 0.00 O ATOM 0 H GLU A 2 -57.300 35.436 2.693 1.00 0.00 H new ATOM 0 HA GLU A 2 -58.029 32.633 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -57.516 34.426 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -59.258 34.478 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -58.843 32.678 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -59.226 31.906 5.109 1.00 0.00 H new ATOM 34 N VAL A 3 -59.984 33.162 1.839 1.00 0.00 N ATOM 35 CA VAL A 3 -61.199 33.398 1.076 1.00 0.00 C ATOM 36 C VAL A 3 -62.400 32.866 1.860 1.00 0.00 C ATOM 37 O VAL A 3 -62.247 32.013 2.733 1.00 0.00 O ATOM 38 CB VAL A 3 -61.071 32.778 -0.317 1.00 0.00 C ATOM 39 CG1 VAL A 3 -62.239 33.196 -1.212 1.00 0.00 C ATOM 40 CG2 VAL A 3 -59.731 33.142 -0.959 1.00 0.00 C ATOM 0 H VAL A 3 -59.553 32.251 1.683 1.00 0.00 H new ATOM 0 HA VAL A 3 -61.356 34.466 0.928 1.00 0.00 H new ATOM 0 HB VAL A 3 -61.105 31.694 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -62.124 32.742 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -63.176 32.863 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -62.250 34.281 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -59.666 32.688 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -59.654 34.225 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -58.917 32.772 -0.336 1.00 0.00 H new ATOM 50 N ALA A 4 -63.568 33.392 1.520 1.00 0.00 N ATOM 51 CA ALA A 4 -64.794 32.981 2.182 1.00 0.00 C ATOM 52 C ALA A 4 -64.996 31.477 1.982 1.00 0.00 C ATOM 53 O ALA A 4 -65.265 31.026 0.870 1.00 0.00 O ATOM 54 CB ALA A 4 -65.966 33.803 1.642 1.00 0.00 C ATOM 0 H ALA A 4 -63.691 34.099 0.795 1.00 0.00 H new ATOM 0 HA ALA A 4 -64.732 33.166 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -66.886 33.495 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -65.787 34.861 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -66.061 33.640 0.568 1.00 0.00 H new ATOM 60 N MET A 5 -64.860 30.744 3.077 1.00 0.00 N ATOM 61 CA MET A 5 -65.024 29.300 3.036 1.00 0.00 C ATOM 62 C MET A 5 -64.019 28.661 2.076 1.00 0.00 C ATOM 63 O MET A 5 -64.216 28.678 0.862 1.00 0.00 O ATOM 64 CB MET A 5 -66.447 28.961 2.585 1.00 0.00 C ATOM 65 CG MET A 5 -67.053 27.866 3.464 1.00 0.00 C ATOM 66 SD MET A 5 -68.355 28.547 4.478 1.00 0.00 S ATOM 67 CE MET A 5 -69.430 27.127 4.598 1.00 0.00 C ATOM 0 H MET A 5 -64.638 31.122 3.998 1.00 0.00 H new ATOM 0 HA MET A 5 -64.845 28.904 4.036 1.00 0.00 H new ATOM 0 HB2 MET A 5 -67.069 29.855 2.630 1.00 0.00 H new ATOM 0 HB3 MET A 5 -66.435 28.633 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 5 -67.448 27.065 2.840 1.00 0.00 H new ATOM 0 HG3 MET A 5 -66.281 27.427 4.096 1.00 0.00 H new ATOM 0 HE1 MET A 5 -70.301 27.380 5.203 1.00 0.00 H new ATOM 0 HE2 MET A 5 -69.755 26.831 3.600 1.00 0.00 H new ATOM 0 HE3 MET A 5 -68.892 26.302 5.064 1.00 0.00 H new ATOM 77 N VAL A 6 -62.962 28.112 2.657 1.00 0.00 N ATOM 78 CA VAL A 6 -61.925 27.468 1.869 1.00 0.00 C ATOM 79 C VAL A 6 -61.852 25.987 2.243 1.00 0.00 C ATOM 80 O VAL A 6 -62.285 25.594 3.325 1.00 0.00 O ATOM 81 CB VAL A 6 -60.594 28.199 2.058 1.00 0.00 C ATOM 82 CG1 VAL A 6 -59.638 27.906 0.900 1.00 0.00 C ATOM 83 CG2 VAL A 6 -60.813 29.704 2.222 1.00 0.00 C ATOM 0 H VAL A 6 -62.802 28.100 3.664 1.00 0.00 H new ATOM 0 HA VAL A 6 -62.163 27.523 0.807 1.00 0.00 H new ATOM 0 HB VAL A 6 -60.134 27.826 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -58.700 28.438 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -59.444 26.835 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -60.088 28.237 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -59.851 30.199 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -61.305 30.099 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -61.439 29.888 3.095 1.00 0.00 H new ATOM 93 N SER A 7 -61.300 25.204 1.327 1.00 0.00 N ATOM 94 CA SER A 7 -61.165 23.774 1.547 1.00 0.00 C ATOM 95 C SER A 7 -59.853 23.273 0.940 1.00 0.00 C ATOM 96 O SER A 7 -59.825 22.827 -0.206 1.00 0.00 O ATOM 97 CB SER A 7 -62.350 23.011 0.952 1.00 0.00 C ATOM 98 OG SER A 7 -63.176 22.438 1.961 1.00 0.00 O ATOM 0 H SER A 7 -60.941 25.533 0.431 1.00 0.00 H new ATOM 0 HA SER A 7 -61.154 23.593 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 7 -62.945 23.687 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 7 -61.981 22.223 0.295 1.00 0.00 H new ATOM 0 HG SER A 7 -63.922 21.961 1.541 1.00 0.00 H new ATOM 104 N ALA A 8 -58.797 23.364 1.736 1.00 0.00 N ATOM 105 CA ALA A 8 -57.485 22.926 1.292 1.00 0.00 C ATOM 106 C ALA A 8 -57.451 21.397 1.247 1.00 0.00 C ATOM 107 O ALA A 8 -56.895 20.758 2.138 1.00 0.00 O ATOM 108 CB ALA A 8 -56.413 23.505 2.217 1.00 0.00 C ATOM 0 H ALA A 8 -58.824 23.735 2.686 1.00 0.00 H new ATOM 0 HA ALA A 8 -57.279 23.291 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -55.429 23.176 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -56.460 24.594 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -56.586 23.158 3.236 1.00 0.00 H new ATOM 114 N GLU A 9 -58.054 20.854 0.199 1.00 0.00 N ATOM 115 CA GLU A 9 -58.100 19.412 0.026 1.00 0.00 C ATOM 116 C GLU A 9 -56.770 18.785 0.446 1.00 0.00 C ATOM 117 O GLU A 9 -55.722 19.422 0.353 1.00 0.00 O ATOM 118 CB GLU A 9 -58.448 19.044 -1.418 1.00 0.00 C ATOM 119 CG GLU A 9 -57.195 19.016 -2.294 1.00 0.00 C ATOM 120 CD GLU A 9 -56.750 17.578 -2.568 1.00 0.00 C ATOM 121 OE1 GLU A 9 -57.568 16.745 -2.988 1.00 0.00 O ATOM 122 OE2 GLU A 9 -55.505 17.337 -2.331 1.00 0.00 O ATOM 0 H GLU A 9 -58.515 21.387 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 9 -58.886 19.013 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -58.934 18.069 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -59.160 19.765 -1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -57.395 19.525 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -56.390 19.562 -1.802 1.00 0.00 H new ATOM 130 N SER A 10 -56.855 17.542 0.898 1.00 0.00 N ATOM 131 CA SER A 10 -55.670 16.821 1.333 1.00 0.00 C ATOM 132 C SER A 10 -55.958 15.319 1.374 1.00 0.00 C ATOM 133 O SER A 10 -57.025 14.900 1.819 1.00 0.00 O ATOM 134 CB SER A 10 -55.201 17.310 2.705 1.00 0.00 C ATOM 135 OG SER A 10 -54.120 18.232 2.602 1.00 0.00 O ATOM 0 H SER A 10 -57.726 17.016 0.972 1.00 0.00 H new ATOM 0 HA SER A 10 -54.871 17.012 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 10 -56.033 17.784 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 10 -54.893 16.456 3.308 1.00 0.00 H new ATOM 0 HG SER A 10 -54.306 18.876 1.887 1.00 0.00 H new ATOM 141 N SER A 11 -54.987 14.550 0.904 1.00 0.00 N ATOM 142 CA SER A 11 -55.123 13.104 0.882 1.00 0.00 C ATOM 143 C SER A 11 -53.740 12.448 0.880 1.00 0.00 C ATOM 144 O SER A 11 -52.798 12.979 0.293 1.00 0.00 O ATOM 145 CB SER A 11 -55.929 12.645 -0.335 1.00 0.00 C ATOM 146 OG SER A 11 -57.325 12.878 -0.169 1.00 0.00 O ATOM 0 H SER A 11 -54.103 14.901 0.536 1.00 0.00 H new ATOM 0 HA SER A 11 -55.662 12.798 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 11 -55.577 13.171 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 11 -55.756 11.582 -0.504 1.00 0.00 H new ATOM 0 HG SER A 11 -57.466 13.503 0.573 1.00 0.00 H new ATOM 152 N GLY A 12 -53.662 11.304 1.543 1.00 0.00 N ATOM 153 CA GLY A 12 -52.410 10.571 1.625 1.00 0.00 C ATOM 154 C GLY A 12 -51.757 10.753 2.997 1.00 0.00 C ATOM 155 O GLY A 12 -51.924 11.792 3.635 1.00 0.00 O ATOM 0 H GLY A 12 -54.445 10.867 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -52.592 9.512 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -51.730 10.917 0.846 1.00 0.00 H new ATOM 159 N CYS A 13 -51.026 9.728 3.410 1.00 0.00 N ATOM 160 CA CYS A 13 -50.347 9.762 4.694 1.00 0.00 C ATOM 161 C CYS A 13 -51.406 9.837 5.796 1.00 0.00 C ATOM 162 O CYS A 13 -51.543 10.862 6.462 1.00 0.00 O ATOM 163 CB CYS A 13 -49.354 10.923 4.778 1.00 0.00 C ATOM 164 SG CYS A 13 -48.388 10.809 6.328 1.00 0.00 S ATOM 0 H CYS A 13 -50.889 8.869 2.878 1.00 0.00 H new ATOM 0 HA CYS A 13 -49.756 8.854 4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -48.683 10.901 3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -49.888 11.873 4.742 1.00 0.00 H new ATOM 0 HG CYS A 13 -47.547 11.798 6.389 1.00 0.00 H new ATOM 170 N ASN A 14 -52.129 8.738 5.954 1.00 0.00 N ATOM 171 CA ASN A 14 -53.171 8.666 6.963 1.00 0.00 C ATOM 172 C ASN A 14 -52.589 8.077 8.250 1.00 0.00 C ATOM 173 O ASN A 14 -53.319 7.515 9.065 1.00 0.00 O ATOM 174 CB ASN A 14 -54.318 7.762 6.507 1.00 0.00 C ATOM 175 CG ASN A 14 -55.578 8.580 6.214 1.00 0.00 C ATOM 176 OD1 ASN A 14 -55.883 9.556 6.879 1.00 0.00 O ATOM 177 ND2 ASN A 14 -56.289 8.129 5.185 1.00 0.00 N ATOM 0 H ASN A 14 -52.013 7.890 5.399 1.00 0.00 H new ATOM 0 HA ASN A 14 -53.550 9.674 7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -54.020 7.214 5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -54.532 7.022 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -57.147 8.607 4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -55.976 7.305 4.671 1.00 0.00 H new ATOM 184 N SER A 15 -51.281 8.227 8.392 1.00 0.00 N ATOM 185 CA SER A 15 -50.593 7.718 9.566 1.00 0.00 C ATOM 186 C SER A 15 -50.752 6.198 9.648 1.00 0.00 C ATOM 187 O SER A 15 -51.566 5.697 10.423 1.00 0.00 O ATOM 188 CB SER A 15 -51.119 8.377 10.843 1.00 0.00 C ATOM 189 OG SER A 15 -50.188 9.309 11.386 1.00 0.00 O ATOM 0 H SER A 15 -50.679 8.694 7.714 1.00 0.00 H new ATOM 0 HA SER A 15 -49.535 7.962 9.474 1.00 0.00 H new ATOM 0 HB2 SER A 15 -52.058 8.887 10.627 1.00 0.00 H new ATOM 0 HB3 SER A 15 -51.336 7.608 11.584 1.00 0.00 H new ATOM 0 HG SER A 15 -50.562 9.709 12.199 1.00 0.00 H new ATOM 195 N HIS A 16 -49.963 5.508 8.839 1.00 0.00 N ATOM 196 CA HIS A 16 -50.007 4.056 8.810 1.00 0.00 C ATOM 197 C HIS A 16 -48.886 3.526 7.913 1.00 0.00 C ATOM 198 O HIS A 16 -49.150 2.867 6.908 1.00 0.00 O ATOM 199 CB HIS A 16 -51.391 3.562 8.385 1.00 0.00 C ATOM 200 CG HIS A 16 -51.678 2.131 8.771 1.00 0.00 C ATOM 201 ND1 HIS A 16 -52.866 1.738 9.362 1.00 0.00 N ATOM 202 CD2 HIS A 16 -50.920 1.004 8.644 1.00 0.00 C ATOM 203 CE1 HIS A 16 -52.814 0.432 9.577 1.00 0.00 C ATOM 204 NE2 HIS A 16 -51.607 -0.021 9.132 1.00 0.00 N ATOM 0 H HIS A 16 -49.289 5.927 8.198 1.00 0.00 H new ATOM 0 HA HIS A 16 -49.838 3.664 9.813 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -52.148 4.207 8.831 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -51.485 3.662 7.304 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -49.929 0.954 8.218 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -53.591 -0.169 10.026 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -51.285 -0.988 9.168 1.00 0.00 H new ATOM 212 N MET A 17 -47.660 3.834 8.308 1.00 0.00 N ATOM 213 CA MET A 17 -46.498 3.398 7.551 1.00 0.00 C ATOM 214 C MET A 17 -46.086 1.979 7.950 1.00 0.00 C ATOM 215 O MET A 17 -46.392 1.526 9.052 1.00 0.00 O ATOM 216 CB MET A 17 -45.334 4.358 7.804 1.00 0.00 C ATOM 217 CG MET A 17 -45.535 5.673 7.049 1.00 0.00 C ATOM 218 SD MET A 17 -44.044 6.653 7.122 1.00 0.00 S ATOM 219 CE MET A 17 -44.745 8.291 7.016 1.00 0.00 C ATOM 0 H MET A 17 -47.445 4.380 9.142 1.00 0.00 H new ATOM 0 HA MET A 17 -46.756 3.398 6.492 1.00 0.00 H new ATOM 0 HB2 MET A 17 -45.248 4.557 8.872 1.00 0.00 H new ATOM 0 HB3 MET A 17 -44.399 3.893 7.490 1.00 0.00 H new ATOM 0 HG2 MET A 17 -45.796 5.469 6.010 1.00 0.00 H new ATOM 0 HG3 MET A 17 -46.366 6.228 7.483 1.00 0.00 H new ATOM 0 HE1 MET A 17 -43.946 9.032 7.048 1.00 0.00 H new ATOM 0 HE2 MET A 17 -45.296 8.391 6.081 1.00 0.00 H new ATOM 0 HE3 MET A 17 -45.422 8.452 7.855 1.00 0.00 H new ATOM 229 N PRO A 18 -45.380 1.299 7.007 1.00 0.00 N ATOM 230 CA PRO A 18 -44.923 -0.058 7.249 1.00 0.00 C ATOM 231 C PRO A 18 -43.728 -0.073 8.205 1.00 0.00 C ATOM 232 O PRO A 18 -42.665 0.456 7.883 1.00 0.00 O ATOM 233 CB PRO A 18 -44.590 -0.612 5.874 1.00 0.00 C ATOM 234 CG PRO A 18 -44.429 0.596 4.965 1.00 0.00 C ATOM 235 CD PRO A 18 -44.999 1.804 5.691 1.00 0.00 C ATOM 0 HA PRO A 18 -45.676 -0.674 7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -43.675 -1.204 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -45.383 -1.268 5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -43.378 0.756 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -44.951 0.436 4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -44.261 2.602 5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -45.858 2.216 5.161 1.00 0.00 H new ATOM 243 N TYR A 19 -43.942 -0.683 9.361 1.00 0.00 N ATOM 244 CA TYR A 19 -42.896 -0.773 10.365 1.00 0.00 C ATOM 245 C TYR A 19 -41.542 -1.076 9.721 1.00 0.00 C ATOM 246 O TYR A 19 -41.271 -2.214 9.342 1.00 0.00 O ATOM 247 CB TYR A 19 -43.286 -1.939 11.277 1.00 0.00 C ATOM 248 CG TYR A 19 -44.560 -1.696 12.087 1.00 0.00 C ATOM 249 CD1 TYR A 19 -44.489 -1.071 13.315 1.00 0.00 C ATOM 250 CD2 TYR A 19 -45.782 -2.103 11.590 1.00 0.00 C ATOM 251 CE1 TYR A 19 -45.689 -0.842 14.078 1.00 0.00 C ATOM 252 CE2 TYR A 19 -46.982 -1.875 12.352 1.00 0.00 C ATOM 253 CZ TYR A 19 -46.876 -1.256 13.559 1.00 0.00 C ATOM 254 OH TYR A 19 -48.009 -1.040 14.279 1.00 0.00 O ATOM 0 H TYR A 19 -44.825 -1.120 9.625 1.00 0.00 H new ATOM 0 HA TYR A 19 -42.802 0.168 10.906 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.420 -2.834 10.669 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.464 -2.140 11.964 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.533 -0.753 13.704 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -45.838 -2.593 10.629 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -45.647 -0.353 15.040 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -47.944 -2.188 11.974 1.00 0.00 H new ATOM 0 HH TYR A 19 -48.781 -1.386 13.785 1.00 0.00 H new ATOM 264 N GLY A 20 -40.727 -0.036 9.616 1.00 0.00 N ATOM 265 CA GLY A 20 -39.408 -0.176 9.024 1.00 0.00 C ATOM 266 C GLY A 20 -38.483 0.958 9.470 1.00 0.00 C ATOM 267 O GLY A 20 -38.027 0.979 10.613 1.00 0.00 O ATOM 0 H GLY A 20 -40.955 0.907 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -38.977 -1.135 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -39.491 -0.176 7.937 1.00 0.00 H new ATOM 271 N TYR A 21 -38.233 1.873 8.546 1.00 0.00 N ATOM 272 CA TYR A 21 -37.371 3.008 8.830 1.00 0.00 C ATOM 273 C TYR A 21 -37.594 3.523 10.253 1.00 0.00 C ATOM 274 O TYR A 21 -36.659 3.990 10.902 1.00 0.00 O ATOM 275 CB TYR A 21 -37.771 4.101 7.836 1.00 0.00 C ATOM 276 CG TYR A 21 -36.679 4.449 6.822 1.00 0.00 C ATOM 277 CD1 TYR A 21 -36.472 3.637 5.725 1.00 0.00 C ATOM 278 CD2 TYR A 21 -35.902 5.575 7.004 1.00 0.00 C ATOM 279 CE1 TYR A 21 -35.444 3.965 4.771 1.00 0.00 C ATOM 280 CE2 TYR A 21 -34.875 5.903 6.050 1.00 0.00 C ATOM 281 CZ TYR A 21 -34.697 5.082 4.980 1.00 0.00 C ATOM 282 OH TYR A 21 -33.727 5.391 4.079 1.00 0.00 O ATOM 0 H TYR A 21 -38.612 1.852 7.599 1.00 0.00 H new ATOM 0 HA TYR A 21 -36.322 2.725 8.740 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -38.663 3.780 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -38.039 5.001 8.389 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -37.081 2.756 5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -36.064 6.210 7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -35.270 3.338 3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -34.260 6.781 6.181 1.00 0.00 H new ATOM 0 HH TYR A 21 -33.275 6.215 4.355 1.00 0.00 H new ATOM 292 N ALA A 22 -38.839 3.421 10.697 1.00 0.00 N ATOM 293 CA ALA A 22 -39.196 3.872 12.031 1.00 0.00 C ATOM 294 C ALA A 22 -38.421 3.053 13.066 1.00 0.00 C ATOM 295 O ALA A 22 -37.655 3.607 13.853 1.00 0.00 O ATOM 296 CB ALA A 22 -40.711 3.762 12.218 1.00 0.00 C ATOM 0 H ALA A 22 -39.612 3.033 10.157 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.925 4.919 12.168 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -40.980 4.100 13.219 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.215 4.383 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.019 2.724 12.091 1.00 0.00 H new ATOM 302 N ALA A 23 -38.646 1.748 13.030 1.00 0.00 N ATOM 303 CA ALA A 23 -37.978 0.848 13.955 1.00 0.00 C ATOM 304 C ALA A 23 -36.526 0.656 13.513 1.00 0.00 C ATOM 305 O ALA A 23 -35.743 0.008 14.206 1.00 0.00 O ATOM 306 CB ALA A 23 -38.746 -0.473 14.026 1.00 0.00 C ATOM 0 H ALA A 23 -39.281 1.292 12.375 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.964 1.271 14.960 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.245 -1.148 14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.762 -0.285 14.373 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.779 -0.928 13.036 1.00 0.00 H new ATOM 312 N GLN A 24 -36.210 1.230 12.362 1.00 0.00 N ATOM 313 CA GLN A 24 -34.866 1.130 11.819 1.00 0.00 C ATOM 314 C GLN A 24 -33.990 2.262 12.359 1.00 0.00 C ATOM 315 O GLN A 24 -32.803 2.339 12.043 1.00 0.00 O ATOM 316 CB GLN A 24 -34.890 1.137 10.290 1.00 0.00 C ATOM 317 CG GLN A 24 -33.939 0.082 9.721 1.00 0.00 C ATOM 318 CD GLN A 24 -34.703 -0.957 8.897 1.00 0.00 C ATOM 319 OE1 GLN A 24 -35.714 -0.672 8.275 1.00 0.00 O ATOM 320 NE2 GLN A 24 -34.165 -2.173 8.927 1.00 0.00 N ATOM 0 H GLN A 24 -36.862 1.766 11.790 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.436 0.180 12.138 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.904 0.945 9.938 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -34.606 2.123 9.923 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.186 0.564 9.097 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -33.409 -0.412 10.535 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.317 -2.342 9.468 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -34.600 -2.936 8.409 1.00 0.00 H new ATOM 329 N ALA A 25 -34.608 3.113 13.165 1.00 0.00 N ATOM 330 CA ALA A 25 -33.899 4.237 13.752 1.00 0.00 C ATOM 331 C ALA A 25 -32.763 3.715 14.634 1.00 0.00 C ATOM 332 O ALA A 25 -31.822 4.446 14.937 1.00 0.00 O ATOM 333 CB ALA A 25 -34.885 5.113 14.529 1.00 0.00 C ATOM 0 H ALA A 25 -35.592 3.047 13.425 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.453 4.857 12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.353 5.956 14.970 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.655 5.483 13.852 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.350 4.524 15.320 1.00 0.00 H new ATOM 339 N ARG A 26 -32.889 2.454 15.020 1.00 0.00 N ATOM 340 CA ARG A 26 -31.884 1.825 15.860 1.00 0.00 C ATOM 341 C ARG A 26 -30.630 1.510 15.043 1.00 0.00 C ATOM 342 O ARG A 26 -29.526 1.469 15.584 1.00 0.00 O ATOM 343 CB ARG A 26 -32.417 0.532 16.482 1.00 0.00 C ATOM 344 CG ARG A 26 -32.151 0.498 17.988 1.00 0.00 C ATOM 345 CD ARG A 26 -33.441 0.728 18.778 1.00 0.00 C ATOM 346 NE ARG A 26 -33.260 1.848 19.728 1.00 0.00 N ATOM 347 CZ ARG A 26 -33.280 3.151 19.375 1.00 0.00 C ATOM 348 NH1 ARG A 26 -33.475 3.509 18.088 1.00 0.00 N ATOM 349 NH2 ARG A 26 -33.107 4.069 20.307 1.00 0.00 N ATOM 0 H ARG A 26 -33.672 1.851 14.767 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.635 2.524 16.659 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.488 0.449 16.296 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -31.944 -0.327 16.006 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.719 -0.464 18.263 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.419 1.263 18.249 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -34.261 0.949 18.095 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -33.712 -0.178 19.319 1.00 0.00 H new ATOM 0 HE ARG A 26 -33.111 1.621 20.711 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -33.609 2.793 17.374 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -33.489 4.496 17.830 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -32.961 3.790 21.277 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -33.119 5.058 20.057 1.00 0.00 H new ATOM 362 N ALA A 27 -30.841 1.296 13.752 1.00 0.00 N ATOM 363 CA ALA A 27 -29.741 0.986 12.855 1.00 0.00 C ATOM 364 C ALA A 27 -28.930 2.257 12.592 1.00 0.00 C ATOM 365 O ALA A 27 -27.730 2.188 12.332 1.00 0.00 O ATOM 366 CB ALA A 27 -30.290 0.369 11.568 1.00 0.00 C ATOM 0 H ALA A 27 -31.758 1.331 13.306 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.071 0.255 13.307 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.465 0.136 10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.833 -0.546 11.806 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.964 1.076 11.084 1.00 0.00 H new ATOM 372 N ARG A 28 -29.618 3.386 12.670 1.00 0.00 N ATOM 373 CA ARG A 28 -28.976 4.670 12.444 1.00 0.00 C ATOM 374 C ARG A 28 -27.912 4.928 13.513 1.00 0.00 C ATOM 375 O ARG A 28 -26.889 5.553 13.238 1.00 0.00 O ATOM 376 CB ARG A 28 -29.998 5.809 12.467 1.00 0.00 C ATOM 377 CG ARG A 28 -29.764 6.780 11.309 1.00 0.00 C ATOM 378 CD ARG A 28 -29.131 8.082 11.804 1.00 0.00 C ATOM 379 NE ARG A 28 -28.062 8.510 10.874 1.00 0.00 N ATOM 380 CZ ARG A 28 -27.159 9.474 11.153 1.00 0.00 C ATOM 381 NH1 ARG A 28 -27.189 10.119 12.338 1.00 0.00 N ATOM 382 NH2 ARG A 28 -26.247 9.777 10.248 1.00 0.00 N ATOM 0 H ARG A 28 -30.613 3.439 12.886 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.507 4.637 11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -31.006 5.399 12.404 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.930 6.344 13.414 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -29.116 6.316 10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.711 6.997 10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -29.891 8.860 11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -28.720 7.939 12.803 1.00 0.00 H new ATOM 0 HE ARG A 28 -28.004 8.048 9.966 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -27.898 9.879 13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -26.503 10.846 12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -26.232 9.285 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -25.557 10.503 10.442 1.00 0.00 H new ATOM 395 N GLU A 29 -28.190 4.432 14.710 1.00 0.00 N ATOM 396 CA GLU A 29 -27.269 4.601 15.822 1.00 0.00 C ATOM 397 C GLU A 29 -26.146 3.565 15.742 1.00 0.00 C ATOM 398 O GLU A 29 -25.063 3.775 16.286 1.00 0.00 O ATOM 399 CB GLU A 29 -28.004 4.511 17.160 1.00 0.00 C ATOM 400 CG GLU A 29 -28.491 3.084 17.424 1.00 0.00 C ATOM 401 CD GLU A 29 -28.303 2.704 18.894 1.00 0.00 C ATOM 402 OE1 GLU A 29 -29.183 2.979 19.723 1.00 0.00 O ATOM 403 OE2 GLU A 29 -27.196 2.100 19.164 1.00 0.00 O ATOM 0 H GLU A 29 -29.039 3.913 14.934 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.826 5.595 15.755 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -27.341 4.827 17.965 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -28.853 5.194 17.159 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -29.544 2.999 17.155 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -27.943 2.386 16.791 1.00 0.00 H new ATOM 411 N ARG A 30 -26.442 2.469 15.059 1.00 0.00 N ATOM 412 CA ARG A 30 -25.471 1.400 14.901 1.00 0.00 C ATOM 413 C ARG A 30 -24.640 1.621 13.636 1.00 0.00 C ATOM 414 O ARG A 30 -23.485 1.201 13.566 1.00 0.00 O ATOM 415 CB ARG A 30 -26.160 0.036 14.819 1.00 0.00 C ATOM 416 CG ARG A 30 -26.201 -0.642 16.190 1.00 0.00 C ATOM 417 CD ARG A 30 -25.226 -1.820 16.247 1.00 0.00 C ATOM 418 NE ARG A 30 -25.315 -2.486 17.566 1.00 0.00 N ATOM 419 CZ ARG A 30 -26.191 -3.470 17.860 1.00 0.00 C ATOM 420 NH1 ARG A 30 -27.063 -3.911 16.928 1.00 0.00 N ATOM 421 NH2 ARG A 30 -26.183 -3.994 19.071 1.00 0.00 N ATOM 0 H ARG A 30 -27.341 2.298 14.609 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.820 1.412 15.775 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.175 0.159 14.440 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.630 -0.601 14.110 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.949 0.081 16.965 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.212 -0.992 16.397 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.456 -2.532 15.454 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.208 -1.469 16.075 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.674 -2.182 18.299 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.063 -3.500 15.994 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.722 -4.655 17.158 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -25.521 -3.655 19.769 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.839 -4.738 19.309 1.00 0.00 H new ATOM 434 N GLU A 31 -25.259 2.279 12.667 1.00 0.00 N ATOM 435 CA GLU A 31 -24.591 2.560 11.408 1.00 0.00 C ATOM 436 C GLU A 31 -23.415 3.513 11.633 1.00 0.00 C ATOM 437 O GLU A 31 -22.442 3.493 10.880 1.00 0.00 O ATOM 438 CB GLU A 31 -25.571 3.132 10.382 1.00 0.00 C ATOM 439 CG GLU A 31 -26.253 2.013 9.592 1.00 0.00 C ATOM 440 CD GLU A 31 -25.635 1.871 8.199 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.310 2.134 7.192 1.00 0.00 O ATOM 442 OE2 GLU A 31 -24.408 1.473 8.184 1.00 0.00 O ATOM 0 H GLU A 31 -26.216 2.626 12.729 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.204 1.623 11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.324 3.735 10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.041 3.794 9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -26.159 1.071 10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -27.319 2.224 9.501 1.00 0.00 H new ATOM 450 N ARG A 32 -23.543 4.325 12.672 1.00 0.00 N ATOM 451 CA ARG A 32 -22.503 5.283 13.005 1.00 0.00 C ATOM 452 C ARG A 32 -21.183 4.560 13.280 1.00 0.00 C ATOM 453 O ARG A 32 -20.108 5.106 13.035 1.00 0.00 O ATOM 454 CB ARG A 32 -22.889 6.110 14.233 1.00 0.00 C ATOM 455 CG ARG A 32 -22.337 7.533 14.131 1.00 0.00 C ATOM 456 CD ARG A 32 -23.357 8.472 13.484 1.00 0.00 C ATOM 457 NE ARG A 32 -23.108 9.866 13.916 1.00 0.00 N ATOM 458 CZ ARG A 32 -22.245 10.705 13.305 1.00 0.00 C ATOM 459 NH1 ARG A 32 -21.540 10.298 12.228 1.00 0.00 N ATOM 460 NH2 ARG A 32 -22.101 11.930 13.776 1.00 0.00 N ATOM 0 H ARG A 32 -24.351 4.339 13.294 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.384 5.952 12.153 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.974 6.143 14.327 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.505 5.631 15.134 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.080 7.899 15.125 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.418 7.529 13.545 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.291 8.402 12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.367 8.172 13.762 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.621 10.214 14.726 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.657 9.350 11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.890 10.938 11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.638 12.230 14.590 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.453 12.577 13.326 1.00 0.00 H new ATOM 473 N LEU A 33 -21.307 3.342 13.787 1.00 0.00 N ATOM 474 CA LEU A 33 -20.137 2.538 14.098 1.00 0.00 C ATOM 475 C LEU A 33 -19.754 1.706 12.873 1.00 0.00 C ATOM 476 O LEU A 33 -18.660 1.148 12.814 1.00 0.00 O ATOM 477 CB LEU A 33 -20.380 1.703 15.357 1.00 0.00 C ATOM 478 CG LEU A 33 -19.340 1.848 16.469 1.00 0.00 C ATOM 479 CD1 LEU A 33 -20.011 2.143 17.812 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.435 0.616 16.538 1.00 0.00 C ATOM 0 H LEU A 33 -22.200 2.892 13.990 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.285 3.178 14.327 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.356 1.969 15.763 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.430 0.653 15.068 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.704 2.701 16.233 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.249 2.241 18.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.577 3.072 17.740 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.685 1.326 18.069 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.705 0.745 17.337 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -19.039 -0.269 16.738 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.915 0.493 15.588 1.00 0.00 H new ATOM 492 N ALA A 34 -20.677 1.649 11.924 1.00 0.00 N ATOM 493 CA ALA A 34 -20.450 0.895 10.703 1.00 0.00 C ATOM 494 C ALA A 34 -19.634 1.745 9.727 1.00 0.00 C ATOM 495 O ALA A 34 -19.398 1.337 8.591 1.00 0.00 O ATOM 496 CB ALA A 34 -21.794 0.460 10.114 1.00 0.00 C ATOM 0 H ALA A 34 -21.584 2.113 11.976 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.877 -0.009 10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.624 -0.106 9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.321 -0.166 10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.395 1.341 9.890 1.00 0.00 H new ATOM 502 N HIS A 35 -19.225 2.910 10.207 1.00 0.00 N ATOM 503 CA HIS A 35 -18.440 3.821 9.391 1.00 0.00 C ATOM 504 C HIS A 35 -16.951 3.532 9.588 1.00 0.00 C ATOM 505 O HIS A 35 -16.114 4.026 8.834 1.00 0.00 O ATOM 506 CB HIS A 35 -18.807 5.276 9.695 1.00 0.00 C ATOM 507 CG HIS A 35 -19.651 5.932 8.628 1.00 0.00 C ATOM 508 ND1 HIS A 35 -20.940 5.522 8.335 1.00 0.00 N ATOM 509 CD2 HIS A 35 -19.377 6.972 7.790 1.00 0.00 C ATOM 510 CE1 HIS A 35 -21.411 6.288 7.362 1.00 0.00 C ATOM 511 NE2 HIS A 35 -20.441 7.185 7.025 1.00 0.00 N ATOM 0 H HIS A 35 -19.422 3.244 11.150 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.670 3.662 8.337 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.344 5.314 10.643 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.891 5.852 9.824 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.452 7.528 7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -22.391 6.215 6.914 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -20.520 7.902 6.304 1.00 0.00 H new ATOM 519 N SER A 36 -16.665 2.732 10.604 1.00 0.00 N ATOM 520 CA SER A 36 -15.291 2.371 10.909 1.00 0.00 C ATOM 521 C SER A 36 -14.904 1.099 10.152 1.00 0.00 C ATOM 522 O SER A 36 -13.721 0.819 9.966 1.00 0.00 O ATOM 523 CB SER A 36 -15.095 2.174 12.414 1.00 0.00 C ATOM 524 OG SER A 36 -14.599 3.350 13.046 1.00 0.00 O ATOM 0 H SER A 36 -17.362 2.323 11.227 1.00 0.00 H new ATOM 0 HA SER A 36 -14.643 3.187 10.589 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.044 1.891 12.869 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.401 1.351 12.585 1.00 0.00 H new ATOM 0 HG SER A 36 -14.489 3.184 14.006 1.00 0.00 H new ATOM 530 N ARG A 37 -15.924 0.362 9.737 1.00 0.00 N ATOM 531 CA ARG A 37 -15.705 -0.873 9.004 1.00 0.00 C ATOM 532 C ARG A 37 -15.648 -0.596 7.500 1.00 0.00 C ATOM 533 O ARG A 37 -15.690 -1.522 6.693 1.00 0.00 O ATOM 534 CB ARG A 37 -16.817 -1.886 9.287 1.00 0.00 C ATOM 535 CG ARG A 37 -16.243 -3.291 9.481 1.00 0.00 C ATOM 536 CD ARG A 37 -16.038 -3.989 8.135 1.00 0.00 C ATOM 537 NE ARG A 37 -15.722 -5.419 8.351 1.00 0.00 N ATOM 538 CZ ARG A 37 -15.936 -6.388 7.435 1.00 0.00 C ATOM 539 NH1 ARG A 37 -16.469 -6.087 6.231 1.00 0.00 N ATOM 540 NH2 ARG A 37 -15.617 -7.633 7.734 1.00 0.00 N ATOM 0 H ARG A 37 -16.904 0.597 9.895 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.755 -1.291 9.336 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.367 -1.588 10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.528 -1.891 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.293 -3.230 10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.917 -3.881 10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.937 -3.894 7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.229 -3.508 7.586 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.317 -5.689 9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.713 -5.122 6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.627 -6.825 5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.215 -7.852 8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.772 -8.377 7.053 1.00 0.00 H new ATOM 553 N ALA A 38 -15.554 0.684 7.170 1.00 0.00 N ATOM 554 CA ALA A 38 -15.491 1.095 5.778 1.00 0.00 C ATOM 555 C ALA A 38 -14.201 0.562 5.152 1.00 0.00 C ATOM 556 O ALA A 38 -14.243 -0.191 4.180 1.00 0.00 O ATOM 557 CB ALA A 38 -15.595 2.619 5.690 1.00 0.00 C ATOM 0 H ALA A 38 -15.520 1.450 7.843 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.327 0.678 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.548 2.927 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.541 2.945 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.770 3.072 6.240 1.00 0.00 H new ATOM 563 N ALA A 39 -13.084 0.973 5.734 1.00 0.00 N ATOM 564 CA ALA A 39 -11.784 0.546 5.245 1.00 0.00 C ATOM 565 C ALA A 39 -11.733 -0.982 5.213 1.00 0.00 C ATOM 566 O ALA A 39 -12.348 -1.645 6.046 1.00 0.00 O ATOM 567 CB ALA A 39 -10.685 1.148 6.123 1.00 0.00 C ATOM 0 H ALA A 39 -13.052 1.597 6.540 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.620 0.903 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.710 0.828 5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.746 2.236 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.815 0.810 7.151 1.00 0.00 H new ATOM 573 N ALA A 40 -10.992 -1.498 4.242 1.00 0.00 N ATOM 574 CA ALA A 40 -10.852 -2.936 4.091 1.00 0.00 C ATOM 575 C ALA A 40 -10.649 -3.572 5.467 1.00 0.00 C ATOM 576 O ALA A 40 -11.439 -4.415 5.888 1.00 0.00 O ATOM 577 CB ALA A 40 -9.699 -3.239 3.132 1.00 0.00 C ATOM 0 H ALA A 40 -10.483 -0.945 3.553 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.756 -3.366 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.594 -4.318 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.906 -2.791 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.774 -2.825 3.533 1.00 0.00 H new ATOM 583 N ALA A 41 -9.585 -3.144 6.130 1.00 0.00 N ATOM 584 CA ALA A 41 -9.267 -3.661 7.450 1.00 0.00 C ATOM 585 C ALA A 41 -8.507 -4.981 7.307 1.00 0.00 C ATOM 586 O ALA A 41 -8.731 -5.917 8.073 1.00 0.00 O ATOM 587 CB ALA A 41 -10.555 -3.815 8.262 1.00 0.00 C ATOM 0 H ALA A 41 -8.932 -2.445 5.777 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.623 -2.966 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.317 -4.203 9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.042 -2.845 8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.225 -4.507 7.753 1.00 0.00 H new ATOM 593 N ALA A 42 -7.623 -5.013 6.320 1.00 0.00 N ATOM 594 CA ALA A 42 -6.828 -6.203 6.067 1.00 0.00 C ATOM 595 C ALA A 42 -5.377 -5.937 6.470 1.00 0.00 C ATOM 596 O ALA A 42 -4.807 -6.673 7.274 1.00 0.00 O ATOM 597 CB ALA A 42 -6.961 -6.602 4.596 1.00 0.00 C ATOM 0 H ALA A 42 -7.440 -4.235 5.687 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.188 -7.040 6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.365 -7.494 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.007 -6.809 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.606 -5.787 3.965 1.00 0.00 H new ATOM 603 N ALA A 43 -4.819 -4.882 5.894 1.00 0.00 N ATOM 604 CA ALA A 43 -3.445 -4.510 6.183 1.00 0.00 C ATOM 605 C ALA A 43 -3.235 -4.489 7.699 1.00 0.00 C ATOM 606 O ALA A 43 -2.110 -4.626 8.175 1.00 0.00 O ATOM 607 CB ALA A 43 -3.134 -3.160 5.533 1.00 0.00 C ATOM 0 H ALA A 43 -5.294 -4.273 5.228 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.753 -5.241 5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.103 -2.881 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.270 -3.236 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.807 -2.401 5.931 1.00 0.00 H new ATOM 613 N VAL A 44 -4.337 -4.316 8.414 1.00 0.00 N ATOM 614 CA VAL A 44 -4.288 -4.276 9.866 1.00 0.00 C ATOM 615 C VAL A 44 -4.585 -5.670 10.421 1.00 0.00 C ATOM 616 O VAL A 44 -4.078 -6.042 11.478 1.00 0.00 O ATOM 617 CB VAL A 44 -5.247 -3.206 10.392 1.00 0.00 C ATOM 618 CG1 VAL A 44 -6.039 -3.723 11.594 1.00 0.00 C ATOM 619 CG2 VAL A 44 -4.495 -1.920 10.743 1.00 0.00 C ATOM 0 H VAL A 44 -5.269 -4.202 8.015 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.291 -3.997 10.207 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.957 -2.973 9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.713 -2.943 11.948 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.619 -4.597 11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.350 -3.998 12.393 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.200 -1.176 11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.752 -2.131 11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.997 -1.535 9.853 1.00 0.00 H new ATOM 629 N ALA A 45 -5.405 -6.403 9.683 1.00 0.00 N ATOM 630 CA ALA A 45 -5.776 -7.748 10.088 1.00 0.00 C ATOM 631 C ALA A 45 -4.548 -8.462 10.655 1.00 0.00 C ATOM 632 O ALA A 45 -4.653 -9.211 11.625 1.00 0.00 O ATOM 633 CB ALA A 45 -6.384 -8.491 8.897 1.00 0.00 C ATOM 0 H ALA A 45 -5.823 -6.091 8.807 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.532 -7.717 10.873 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.662 -9.500 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.270 -7.959 8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.654 -8.544 8.090 1.00 0.00 H new ATOM 639 N ALA A 46 -3.410 -8.205 10.025 1.00 0.00 N ATOM 640 CA ALA A 46 -2.163 -8.814 10.454 1.00 0.00 C ATOM 641 C ALA A 46 -1.490 -7.912 11.490 1.00 0.00 C ATOM 642 O ALA A 46 -1.522 -8.200 12.685 1.00 0.00 O ATOM 643 CB ALA A 46 -1.273 -9.068 9.236 1.00 0.00 C ATOM 0 H ALA A 46 -3.326 -7.583 9.221 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.350 -9.778 10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.337 -9.525 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.785 -9.738 8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.062 -8.123 8.736 1.00 0.00 H new ATOM 649 N ALA A 47 -0.896 -6.836 10.994 1.00 0.00 N ATOM 650 CA ALA A 47 -0.216 -5.889 11.861 1.00 0.00 C ATOM 651 C ALA A 47 -1.253 -5.000 12.550 1.00 0.00 C ATOM 652 O ALA A 47 -1.902 -4.181 11.901 1.00 0.00 O ATOM 653 CB ALA A 47 0.794 -5.082 11.044 1.00 0.00 C ATOM 0 H ALA A 47 -0.872 -6.599 10.002 1.00 0.00 H new ATOM 0 HA ALA A 47 0.339 -6.412 12.640 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.304 -4.372 11.695 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.526 -5.757 10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.273 -4.541 10.254 1.00 0.00 H new ATOM 659 N THR A 48 -1.376 -5.190 13.855 1.00 0.00 N ATOM 660 CA THR A 48 -2.323 -4.415 14.639 1.00 0.00 C ATOM 661 C THR A 48 -2.396 -2.979 14.118 1.00 0.00 C ATOM 662 O THR A 48 -3.259 -2.653 13.305 1.00 0.00 O ATOM 663 CB THR A 48 -1.909 -4.509 16.109 1.00 0.00 C ATOM 664 OG1 THR A 48 -0.499 -4.304 16.086 1.00 0.00 O ATOM 665 CG2 THR A 48 -2.071 -5.921 16.674 1.00 0.00 C ATOM 0 H THR A 48 -0.835 -5.870 14.390 1.00 0.00 H new ATOM 0 HA THR A 48 -3.334 -4.813 14.546 1.00 0.00 H new ATOM 0 HB THR A 48 -2.504 -3.812 16.699 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.147 -4.347 17.000 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.763 -5.932 17.720 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.115 -6.225 16.600 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.450 -6.614 16.106 1.00 0.00 H new ATOM 673 N ALA A 49 -1.479 -2.158 14.609 1.00 0.00 N ATOM 674 CA ALA A 49 -1.429 -0.764 14.204 1.00 0.00 C ATOM 675 C ALA A 49 -1.602 -0.672 12.686 1.00 0.00 C ATOM 676 O ALA A 49 -1.069 -1.497 11.946 1.00 0.00 O ATOM 677 CB ALA A 49 -0.115 -0.141 14.679 1.00 0.00 C ATOM 0 H ALA A 49 -0.765 -2.432 15.284 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.242 -0.202 14.664 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.077 0.905 14.375 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.053 -0.206 15.765 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.724 -0.678 14.236 1.00 0.00 H new ATOM 683 N ALA A 50 -2.349 0.340 12.268 1.00 0.00 N ATOM 684 CA ALA A 50 -2.599 0.550 10.852 1.00 0.00 C ATOM 685 C ALA A 50 -1.442 1.350 10.248 1.00 0.00 C ATOM 686 O ALA A 50 -1.664 2.348 9.564 1.00 0.00 O ATOM 687 CB ALA A 50 -3.948 1.248 10.670 1.00 0.00 C ATOM 0 H ALA A 50 -2.789 1.023 12.885 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.652 -0.403 10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.136 1.406 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.739 0.626 11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.932 2.210 11.182 1.00 0.00 H new ATOM 693 N VAL A 51 -0.234 0.881 10.522 1.00 0.00 N ATOM 694 CA VAL A 51 0.957 1.540 10.014 1.00 0.00 C ATOM 695 C VAL A 51 1.836 0.513 9.297 1.00 0.00 C ATOM 696 O VAL A 51 3.025 0.396 9.591 1.00 0.00 O ATOM 697 CB VAL A 51 1.684 2.258 11.153 1.00 0.00 C ATOM 698 CG1 VAL A 51 2.511 1.274 11.983 1.00 0.00 C ATOM 699 CG2 VAL A 51 2.559 3.393 10.616 1.00 0.00 C ATOM 0 H VAL A 51 -0.054 0.053 11.089 1.00 0.00 H new ATOM 0 HA VAL A 51 0.689 2.304 9.285 1.00 0.00 H new ATOM 0 HB VAL A 51 0.930 2.697 11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.017 1.811 12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.854 0.517 12.411 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.252 0.793 11.345 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.064 3.887 11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.301 2.986 9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.935 4.115 10.090 1.00 0.00 H new ATOM 709 N GLU A 52 1.218 -0.204 8.371 1.00 0.00 N ATOM 710 CA GLU A 52 1.929 -1.217 7.610 1.00 0.00 C ATOM 711 C GLU A 52 3.299 -0.691 7.177 1.00 0.00 C ATOM 712 O GLU A 52 3.449 0.494 6.886 1.00 0.00 O ATOM 713 CB GLU A 52 1.109 -1.672 6.401 1.00 0.00 C ATOM 714 CG GLU A 52 1.907 -2.646 5.532 1.00 0.00 C ATOM 715 CD GLU A 52 1.229 -2.852 4.176 1.00 0.00 C ATOM 716 OE1 GLU A 52 0.147 -3.453 4.108 1.00 0.00 O ATOM 717 OE2 GLU A 52 1.867 -2.360 3.168 1.00 0.00 O ATOM 0 H GLU A 52 0.232 -0.104 8.130 1.00 0.00 H new ATOM 0 HA GLU A 52 2.081 -2.085 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.190 -2.150 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.817 -0.805 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.917 -2.263 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.001 -3.603 6.045 1.00 0.00 H new ATOM 725 N GLY A 53 4.264 -1.599 7.148 1.00 0.00 N ATOM 726 CA GLY A 53 5.616 -1.241 6.755 1.00 0.00 C ATOM 727 C GLY A 53 5.684 -0.907 5.263 1.00 0.00 C ATOM 728 O GLY A 53 5.566 0.255 4.878 1.00 0.00 O ATOM 0 H GLY A 53 4.136 -2.582 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.953 -0.384 7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.293 -2.065 6.978 1.00 0.00 H new ATOM 732 N THR A 54 5.873 -1.948 4.465 1.00 0.00 N ATOM 733 CA THR A 54 5.958 -1.779 3.024 1.00 0.00 C ATOM 734 C THR A 54 6.748 -0.515 2.680 1.00 0.00 C ATOM 735 O THR A 54 6.172 0.565 2.550 1.00 0.00 O ATOM 736 CB THR A 54 4.534 -1.777 2.464 1.00 0.00 C ATOM 737 OG1 THR A 54 4.146 -3.148 2.497 1.00 0.00 O ATOM 738 CG2 THR A 54 4.490 -1.413 0.978 1.00 0.00 C ATOM 0 H THR A 54 5.970 -2.911 4.789 1.00 0.00 H new ATOM 0 HA THR A 54 6.504 -2.601 2.561 1.00 0.00 H new ATOM 0 HB THR A 54 3.923 -1.073 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.169 -3.211 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.457 -1.426 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.908 -0.417 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.073 -2.137 0.409 1.00 0.00 H new ATOM 746 N GLY A 55 8.054 -0.690 2.543 1.00 0.00 N ATOM 747 CA GLY A 55 8.928 0.423 2.217 1.00 0.00 C ATOM 748 C GLY A 55 8.608 0.984 0.830 1.00 0.00 C ATOM 749 O GLY A 55 7.450 1.000 0.415 1.00 0.00 O ATOM 0 H GLY A 55 8.528 -1.587 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.817 1.208 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.967 0.096 2.250 1.00 0.00 H new ATOM 753 N GLY A 56 9.655 1.431 0.152 1.00 0.00 N ATOM 754 CA GLY A 56 9.499 1.992 -1.180 1.00 0.00 C ATOM 755 C GLY A 56 8.668 1.066 -2.071 1.00 0.00 C ATOM 756 O GLY A 56 8.604 -0.138 -1.831 1.00 0.00 O ATOM 0 H GLY A 56 10.614 1.416 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.017 2.967 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.480 2.151 -1.629 1.00 0.00 H new ATOM 760 N SER A 57 8.052 1.665 -3.080 1.00 0.00 N ATOM 761 CA SER A 57 7.228 0.910 -4.008 1.00 0.00 C ATOM 762 C SER A 57 7.891 0.872 -5.386 1.00 0.00 C ATOM 763 O SER A 57 8.863 1.584 -5.630 1.00 0.00 O ATOM 764 CB SER A 57 5.824 1.509 -4.111 1.00 0.00 C ATOM 765 OG SER A 57 4.913 0.894 -3.204 1.00 0.00 O ATOM 0 H SER A 57 8.107 2.665 -3.275 1.00 0.00 H new ATOM 0 HA SER A 57 7.133 -0.108 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.871 2.579 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.455 1.394 -5.130 1.00 0.00 H new ATOM 0 HG SER A 57 4.029 1.305 -3.299 1.00 0.00 H new ATOM 771 N GLY A 58 7.339 0.032 -6.250 1.00 0.00 N ATOM 772 CA GLY A 58 7.865 -0.108 -7.597 1.00 0.00 C ATOM 773 C GLY A 58 7.217 0.901 -8.547 1.00 0.00 C ATOM 774 O GLY A 58 6.547 1.833 -8.104 1.00 0.00 O ATOM 0 H GLY A 58 6.533 -0.558 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.945 0.039 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.685 -1.120 -7.958 1.00 0.00 H new ATOM 778 N GLY A 59 7.438 0.680 -9.834 1.00 0.00 N ATOM 779 CA GLY A 59 6.883 1.559 -10.850 1.00 0.00 C ATOM 780 C GLY A 59 6.410 0.760 -12.066 1.00 0.00 C ATOM 781 O GLY A 59 6.495 -0.467 -12.079 1.00 0.00 O ATOM 0 H GLY A 59 7.994 -0.095 -10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.048 2.122 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.635 2.286 -11.158 1.00 0.00 H new ATOM 785 N GLY A 60 5.921 1.489 -13.059 1.00 0.00 N ATOM 786 CA GLY A 60 5.434 0.865 -14.277 1.00 0.00 C ATOM 787 C GLY A 60 6.093 1.482 -15.512 1.00 0.00 C ATOM 788 O GLY A 60 5.468 2.262 -16.229 1.00 0.00 O ATOM 0 H GLY A 60 5.852 2.507 -13.044 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.638 -0.205 -14.248 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.352 0.981 -14.342 1.00 0.00 H new ATOM 792 N PRO A 61 7.381 1.101 -15.727 1.00 0.00 N ATOM 793 CA PRO A 61 8.132 1.609 -16.863 1.00 0.00 C ATOM 794 C PRO A 61 7.680 0.940 -18.163 1.00 0.00 C ATOM 795 O PRO A 61 6.934 -0.037 -18.135 1.00 0.00 O ATOM 796 CB PRO A 61 9.588 1.332 -16.528 1.00 0.00 C ATOM 797 CG PRO A 61 9.571 0.270 -15.441 1.00 0.00 C ATOM 798 CD PRO A 61 8.154 0.180 -14.899 1.00 0.00 C ATOM 0 HA PRO A 61 7.971 2.674 -17.031 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.131 0.983 -17.406 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.088 2.237 -16.182 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.888 -0.692 -15.843 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.269 0.528 -14.644 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.767 -0.836 -14.970 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.114 0.464 -13.847 1.00 0.00 H new ATOM 806 N HIS A 62 8.150 1.494 -19.271 1.00 0.00 N ATOM 807 CA HIS A 62 7.803 0.963 -20.578 1.00 0.00 C ATOM 808 C HIS A 62 9.070 0.811 -21.422 1.00 0.00 C ATOM 809 O HIS A 62 10.112 1.376 -21.093 1.00 0.00 O ATOM 810 CB HIS A 62 6.742 1.833 -21.254 1.00 0.00 C ATOM 811 CG HIS A 62 7.284 3.108 -21.856 1.00 0.00 C ATOM 812 ND1 HIS A 62 6.872 3.591 -23.085 1.00 0.00 N ATOM 813 CD2 HIS A 62 8.208 3.993 -21.384 1.00 0.00 C ATOM 814 CE1 HIS A 62 7.525 4.716 -23.333 1.00 0.00 C ATOM 815 NE2 HIS A 62 8.354 4.963 -22.278 1.00 0.00 N ATOM 0 H HIS A 62 8.768 2.305 -19.290 1.00 0.00 H new ATOM 0 HA HIS A 62 7.360 -0.027 -20.467 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.256 1.252 -22.037 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.975 2.086 -20.522 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.732 3.917 -20.443 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.420 5.330 -24.215 1.00 0.00 H new ATOM 0 HE2 HIS A 62 8.982 5.762 -22.191 1.00 0.00 H new ATOM 823 N HIS A 63 8.939 0.045 -22.495 1.00 0.00 N ATOM 824 CA HIS A 63 10.060 -0.189 -23.389 1.00 0.00 C ATOM 825 C HIS A 63 10.855 1.107 -23.566 1.00 0.00 C ATOM 826 O HIS A 63 10.291 2.198 -23.504 1.00 0.00 O ATOM 827 CB HIS A 63 9.582 -0.778 -24.718 1.00 0.00 C ATOM 828 CG HIS A 63 9.500 0.229 -25.841 1.00 0.00 C ATOM 829 ND1 HIS A 63 9.934 -0.045 -27.127 1.00 0.00 N ATOM 830 CD2 HIS A 63 9.029 1.509 -25.858 1.00 0.00 C ATOM 831 CE1 HIS A 63 9.730 1.029 -27.875 1.00 0.00 C ATOM 832 NE2 HIS A 63 9.169 1.991 -27.087 1.00 0.00 N ATOM 0 H HIS A 63 8.073 -0.422 -22.765 1.00 0.00 H new ATOM 0 HA HIS A 63 10.730 -0.929 -22.951 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.258 -1.581 -25.012 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.599 -1.226 -24.573 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.613 2.040 -25.015 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.966 1.126 -28.924 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.901 2.927 -27.392 1.00 0.00 H new ATOM 840 N HIS A 64 12.152 0.943 -23.783 1.00 0.00 N ATOM 841 CA HIS A 64 13.029 2.086 -23.969 1.00 0.00 C ATOM 842 C HIS A 64 13.512 2.131 -25.420 1.00 0.00 C ATOM 843 O HIS A 64 14.705 1.991 -25.686 1.00 0.00 O ATOM 844 CB HIS A 64 14.180 2.057 -22.962 1.00 0.00 C ATOM 845 CG HIS A 64 14.735 3.421 -22.624 1.00 0.00 C ATOM 846 ND1 HIS A 64 14.721 3.939 -21.341 1.00 0.00 N ATOM 847 CD2 HIS A 64 15.320 4.366 -23.415 1.00 0.00 C ATOM 848 CE1 HIS A 64 15.275 5.142 -21.370 1.00 0.00 C ATOM 849 NE2 HIS A 64 15.644 5.405 -22.656 1.00 0.00 N ATOM 0 H HIS A 64 12.616 0.036 -23.834 1.00 0.00 H new ATOM 0 HA HIS A 64 12.478 3.007 -23.777 1.00 0.00 H new ATOM 0 HB2 HIS A 64 13.835 1.579 -22.045 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.983 1.438 -23.362 1.00 0.00 H new ATOM 0 HD2 HIS A 64 15.490 4.283 -24.478 1.00 0.00 H new ATOM 0 HE1 HIS A 64 15.411 5.799 -20.524 1.00 0.00 H new ATOM 0 HE2 HIS A 64 16.095 6.260 -22.981 1.00 0.00 H new ATOM 857 N HIS A 65 12.560 2.327 -26.321 1.00 0.00 N ATOM 858 CA HIS A 65 12.874 2.392 -27.739 1.00 0.00 C ATOM 859 C HIS A 65 13.393 1.033 -28.212 1.00 0.00 C ATOM 860 O HIS A 65 14.241 0.426 -27.560 1.00 0.00 O ATOM 861 CB HIS A 65 13.851 3.534 -28.027 1.00 0.00 C ATOM 862 CG HIS A 65 13.197 4.776 -28.582 1.00 0.00 C ATOM 863 ND1 HIS A 65 13.233 5.997 -27.931 1.00 0.00 N ATOM 864 CD2 HIS A 65 12.491 4.974 -29.732 1.00 0.00 C ATOM 865 CE1 HIS A 65 12.575 6.882 -28.665 1.00 0.00 C ATOM 866 NE2 HIS A 65 12.115 6.246 -29.780 1.00 0.00 N ATOM 0 H HIS A 65 11.572 2.443 -26.097 1.00 0.00 H new ATOM 0 HA HIS A 65 11.970 2.614 -28.306 1.00 0.00 H new ATOM 0 HB2 HIS A 65 14.374 3.792 -27.106 1.00 0.00 H new ATOM 0 HB3 HIS A 65 14.604 3.185 -28.734 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.275 4.223 -30.477 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.429 7.924 -28.423 1.00 0.00 H new ATOM 0 HE2 HIS A 65 11.571 6.677 -30.528 1.00 0.00 H new ATOM 874 N GLN A 66 12.863 0.595 -29.345 1.00 0.00 N ATOM 875 CA GLN A 66 13.262 -0.681 -29.913 1.00 0.00 C ATOM 876 C GLN A 66 14.515 -0.510 -30.774 1.00 0.00 C ATOM 877 O GLN A 66 15.031 0.598 -30.912 1.00 0.00 O ATOM 878 CB GLN A 66 12.122 -1.302 -30.723 1.00 0.00 C ATOM 879 CG GLN A 66 11.926 -0.564 -32.049 1.00 0.00 C ATOM 880 CD GLN A 66 10.525 0.045 -32.136 1.00 0.00 C ATOM 881 OE1 GLN A 66 9.951 0.488 -31.155 1.00 0.00 O ATOM 882 NE2 GLN A 66 10.009 0.043 -33.361 1.00 0.00 N ATOM 0 H GLN A 66 12.161 1.101 -29.884 1.00 0.00 H new ATOM 0 HA GLN A 66 13.496 -1.363 -29.095 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.339 -2.353 -30.916 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.199 -1.268 -30.144 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.675 0.222 -32.146 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.079 -1.254 -32.879 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.544 -0.344 -34.139 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.079 0.428 -33.523 1.00 0.00 H new ATOM 891 N THR A 67 14.968 -1.623 -31.332 1.00 0.00 N ATOM 892 CA THR A 67 16.151 -1.610 -32.176 1.00 0.00 C ATOM 893 C THR A 67 16.364 -2.982 -32.817 1.00 0.00 C ATOM 894 O THR A 67 15.440 -3.792 -32.881 1.00 0.00 O ATOM 895 CB THR A 67 17.334 -1.147 -31.324 1.00 0.00 C ATOM 896 OG1 THR A 67 18.220 -0.539 -32.261 1.00 0.00 O ATOM 897 CG2 THR A 67 18.139 -2.317 -30.755 1.00 0.00 C ATOM 0 H THR A 67 14.537 -2.540 -31.216 1.00 0.00 H new ATOM 0 HA THR A 67 16.037 -0.913 -33.006 1.00 0.00 H new ATOM 0 HB THR A 67 16.971 -0.525 -30.506 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.015 -0.209 -31.793 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.967 -1.933 -30.159 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.494 -2.932 -30.127 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.531 -2.921 -31.573 1.00 0.00 H new ATOM 905 N ARG A 68 17.587 -3.202 -33.276 1.00 0.00 N ATOM 906 CA ARG A 68 17.933 -4.463 -33.910 1.00 0.00 C ATOM 907 C ARG A 68 17.692 -5.626 -32.946 1.00 0.00 C ATOM 908 O ARG A 68 17.509 -5.416 -31.748 1.00 0.00 O ATOM 909 CB ARG A 68 19.398 -4.473 -34.354 1.00 0.00 C ATOM 910 CG ARG A 68 19.551 -5.138 -35.723 1.00 0.00 C ATOM 911 CD ARG A 68 19.421 -4.112 -36.850 1.00 0.00 C ATOM 912 NE ARG A 68 20.708 -3.982 -37.568 1.00 0.00 N ATOM 913 CZ ARG A 68 21.070 -2.895 -38.282 1.00 0.00 C ATOM 914 NH1 ARG A 68 20.242 -1.833 -38.380 1.00 0.00 N ATOM 915 NH2 ARG A 68 22.245 -2.886 -38.883 1.00 0.00 N ATOM 0 H ARG A 68 18.351 -2.528 -33.222 1.00 0.00 H new ATOM 0 HA ARG A 68 17.298 -4.577 -34.788 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.776 -3.451 -34.398 1.00 0.00 H new ATOM 0 HB3 ARG A 68 20.001 -5.005 -33.618 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.521 -5.631 -35.785 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.793 -5.912 -35.842 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.638 -4.419 -37.543 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.124 -3.146 -36.441 1.00 0.00 H new ATOM 0 HE ARG A 68 21.363 -4.763 -37.521 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.336 -1.848 -37.913 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.523 -1.015 -38.921 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.864 -3.693 -38.804 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.534 -2.072 -39.426 1.00 0.00 H new ATOM 928 N GLY A 69 17.699 -6.827 -33.505 1.00 0.00 N ATOM 929 CA GLY A 69 17.483 -8.024 -32.709 1.00 0.00 C ATOM 930 C GLY A 69 16.250 -8.789 -33.194 1.00 0.00 C ATOM 931 O GLY A 69 15.121 -8.427 -32.866 1.00 0.00 O ATOM 0 H GLY A 69 17.851 -6.997 -34.499 1.00 0.00 H new ATOM 0 HA2 GLY A 69 18.361 -8.667 -32.767 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.357 -7.751 -31.661 1.00 0.00 H new ATOM 935 N ALA A 70 16.508 -9.834 -33.967 1.00 0.00 N ATOM 936 CA ALA A 70 15.433 -10.654 -34.500 1.00 0.00 C ATOM 937 C ALA A 70 16.030 -11.866 -35.219 1.00 0.00 C ATOM 938 O ALA A 70 16.589 -11.734 -36.306 1.00 0.00 O ATOM 939 CB ALA A 70 14.553 -9.806 -35.421 1.00 0.00 C ATOM 0 H ALA A 70 17.446 -10.132 -34.237 1.00 0.00 H new ATOM 0 HA ALA A 70 14.800 -11.027 -33.695 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.747 -10.421 -35.821 1.00 0.00 H new ATOM 0 HB2 ALA A 70 14.130 -8.975 -34.856 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.155 -9.417 -36.243 1.00 0.00 H new ATOM 945 N TYR A 71 15.891 -13.019 -34.581 1.00 0.00 N ATOM 946 CA TYR A 71 16.410 -14.253 -35.145 1.00 0.00 C ATOM 947 C TYR A 71 15.612 -15.461 -34.649 1.00 0.00 C ATOM 948 O TYR A 71 15.683 -15.816 -33.474 1.00 0.00 O ATOM 949 CB TYR A 71 17.852 -14.371 -34.648 1.00 0.00 C ATOM 950 CG TYR A 71 18.631 -15.533 -35.269 1.00 0.00 C ATOM 951 CD1 TYR A 71 18.732 -15.640 -36.641 1.00 0.00 C ATOM 952 CD2 TYR A 71 19.232 -16.472 -34.456 1.00 0.00 C ATOM 953 CE1 TYR A 71 19.466 -16.734 -37.225 1.00 0.00 C ATOM 954 CE2 TYR A 71 19.965 -17.565 -35.040 1.00 0.00 C ATOM 955 CZ TYR A 71 20.046 -17.642 -36.396 1.00 0.00 C ATOM 956 OH TYR A 71 20.739 -18.674 -36.947 1.00 0.00 O ATOM 0 H TYR A 71 15.426 -13.124 -33.679 1.00 0.00 H new ATOM 0 HA TYR A 71 16.343 -14.235 -36.233 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.377 -13.440 -34.862 1.00 0.00 H new ATOM 0 HB3 TYR A 71 17.844 -14.490 -33.565 1.00 0.00 H new ATOM 0 HD1 TYR A 71 18.261 -14.905 -37.277 1.00 0.00 H new ATOM 0 HD2 TYR A 71 19.153 -16.387 -33.382 1.00 0.00 H new ATOM 0 HE1 TYR A 71 19.553 -16.830 -38.297 1.00 0.00 H new ATOM 0 HE2 TYR A 71 20.440 -18.307 -34.416 1.00 0.00 H new ATOM 0 HH TYR A 71 21.100 -19.243 -36.235 1.00 0.00 H new ATOM 966 N SER A 72 14.870 -16.058 -35.571 1.00 0.00 N ATOM 967 CA SER A 72 14.059 -17.218 -35.242 1.00 0.00 C ATOM 968 C SER A 72 12.986 -16.834 -34.222 1.00 0.00 C ATOM 969 O SER A 72 13.235 -16.029 -33.326 1.00 0.00 O ATOM 970 CB SER A 72 14.924 -18.358 -34.699 1.00 0.00 C ATOM 971 OG SER A 72 14.227 -19.601 -34.694 1.00 0.00 O ATOM 0 H SER A 72 14.814 -15.760 -36.545 1.00 0.00 H new ATOM 0 HA SER A 72 13.575 -17.567 -36.154 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.825 -18.450 -35.305 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.245 -18.118 -33.685 1.00 0.00 H new ATOM 0 HG SER A 72 14.813 -20.303 -34.342 1.00 0.00 H new ATOM 977 N SER A 73 11.814 -17.429 -34.392 1.00 0.00 N ATOM 978 CA SER A 73 10.701 -17.159 -33.497 1.00 0.00 C ATOM 979 C SER A 73 9.614 -18.220 -33.678 1.00 0.00 C ATOM 980 O SER A 73 9.367 -18.677 -34.794 1.00 0.00 O ATOM 981 CB SER A 73 10.125 -15.762 -33.740 1.00 0.00 C ATOM 982 OG SER A 73 9.628 -15.614 -35.068 1.00 0.00 O ATOM 0 H SER A 73 11.611 -18.097 -35.136 1.00 0.00 H new ATOM 0 HA SER A 73 11.070 -17.197 -32.472 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.321 -15.572 -33.029 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.897 -15.014 -33.556 1.00 0.00 H new ATOM 0 HG SER A 73 9.267 -14.710 -35.183 1.00 0.00 H new ATOM 988 N HIS A 74 8.994 -18.583 -32.565 1.00 0.00 N ATOM 989 CA HIS A 74 7.940 -19.582 -32.587 1.00 0.00 C ATOM 990 C HIS A 74 8.527 -20.939 -32.981 1.00 0.00 C ATOM 991 O HIS A 74 8.876 -21.155 -34.141 1.00 0.00 O ATOM 992 CB HIS A 74 6.795 -19.144 -33.502 1.00 0.00 C ATOM 993 CG HIS A 74 5.574 -20.029 -33.425 1.00 0.00 C ATOM 994 ND1 HIS A 74 4.912 -20.294 -32.239 1.00 0.00 N ATOM 995 CD2 HIS A 74 4.902 -20.708 -34.400 1.00 0.00 C ATOM 996 CE1 HIS A 74 3.891 -21.096 -32.500 1.00 0.00 C ATOM 997 NE2 HIS A 74 3.887 -21.352 -33.839 1.00 0.00 N ATOM 0 H HIS A 74 9.202 -18.203 -31.642 1.00 0.00 H new ATOM 0 HA HIS A 74 7.512 -19.686 -31.590 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.509 -18.124 -33.245 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.153 -19.125 -34.531 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.154 -20.719 -35.450 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.185 -21.480 -31.778 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.214 -21.942 -34.329 1.00 0.00 H new ATOM 1005 N ASP A 75 8.618 -21.818 -31.994 1.00 0.00 N ATOM 1006 CA ASP A 75 9.156 -23.148 -32.223 1.00 0.00 C ATOM 1007 C ASP A 75 10.426 -23.040 -33.069 1.00 0.00 C ATOM 1008 O ASP A 75 11.355 -22.318 -32.712 1.00 0.00 O ATOM 1009 CB ASP A 75 8.156 -24.024 -32.980 1.00 0.00 C ATOM 1010 CG ASP A 75 7.074 -24.669 -32.111 1.00 0.00 C ATOM 1011 OD1 ASP A 75 5.882 -24.637 -32.449 1.00 0.00 O ATOM 1012 OD2 ASP A 75 7.504 -25.229 -31.031 1.00 0.00 O ATOM 0 H ASP A 75 8.328 -21.635 -31.033 1.00 0.00 H new ATOM 0 HA ASP A 75 9.367 -23.598 -31.253 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.672 -23.418 -33.746 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.704 -24.812 -33.496 1.00 0.00 H new TER 1018 ASP A 75