USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 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 191 ASN : amide:sc= 0.465 K(o=1.2,f=-7.4!) USER MOD Set 1.2: A 198 THR OG1 : rot 119:sc= 0.7 USER MOD Set 2.1: A 182 THR OG1 : rot 156:sc= -1.74! USER MOD Set 2.2: A 184 SER OG : rot 180:sc= 0.0433 USER MOD Set 2.3: A 186 GLN :FLIP amide:sc= -0.0444 F(o=-3.4!,f=-1.7) USER MOD Single : A 179 MET CE :methyl 176:sc= -5.5! (180deg=-6.08!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.793 USER MOD Single : A 192 HIS : no HD1:sc= -1.52! C(o=-1.5!,f=-5.5!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.0725 X(o=-0.072,f=-0.0076) USER MOD Single : A 204 LYS NZ :NH3+ 126:sc= 1.13 (180deg=-0.684) USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0123 USER MOD Single : B 212 SER OG : rot 180:sc= 0.00539 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 158:sc= -0.303 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 11.722 7.516 6.527 1.00 15.00 N ATOM 2 CA ASP A 170 11.453 7.404 5.075 1.00 15.00 C ATOM 3 C ASP A 170 12.078 6.141 4.488 1.00 15.00 C ATOM 4 O ASP A 170 11.749 5.740 3.374 1.00 15.00 O ATOM 5 CB ASP A 170 11.979 8.640 4.339 1.00 15.00 C ATOM 6 CG ASP A 170 13.465 8.864 4.545 1.00 15.00 C ATOM 7 OD1 ASP A 170 14.010 8.386 5.562 1.00 15.00 O ATOM 8 OD2 ASP A 170 14.091 9.544 3.707 1.00 15.00 O1- ATOM 0 HA ASP A 170 10.373 7.340 4.942 1.00 15.00 H new ATOM 0 HB2 ASP A 170 11.777 8.535 3.273 1.00 15.00 H new ATOM 0 HB3 ASP A 170 11.434 9.519 4.681 1.00 15.00 H new ATOM 15 N VAL A 171 13.002 5.527 5.222 1.00 15.00 N ATOM 16 CA VAL A 171 13.573 4.250 4.804 1.00 15.00 C ATOM 17 C VAL A 171 12.638 3.077 5.145 1.00 15.00 C ATOM 18 O VAL A 171 12.345 2.251 4.280 1.00 15.00 O ATOM 19 CB VAL A 171 14.966 4.011 5.429 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.528 2.663 5.003 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.920 5.129 5.039 1.00 15.00 C ATOM 0 H VAL A 171 13.369 5.889 6.102 1.00 15.00 H new ATOM 0 HA VAL A 171 13.689 4.300 3.721 1.00 15.00 H new ATOM 0 HB VAL A 171 14.856 4.007 6.513 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.509 2.518 5.456 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.857 1.869 5.330 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.622 2.635 3.917 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.897 4.947 5.487 1.00 15.00 H new ATOM 0 HG22 VAL A 171 16.019 5.161 3.954 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.529 6.082 5.396 1.00 15.00 H new ATOM 31 N PRO A 172 12.142 2.978 6.404 1.00 15.00 N ATOM 32 CA PRO A 172 11.184 1.929 6.777 1.00 15.00 C ATOM 33 C PRO A 172 9.837 2.090 6.079 1.00 15.00 C ATOM 34 O PRO A 172 9.063 1.138 5.977 1.00 15.00 O ATOM 35 CB PRO A 172 11.022 2.095 8.291 1.00 15.00 C ATOM 36 CG PRO A 172 11.439 3.496 8.571 1.00 15.00 C ATOM 37 CD PRO A 172 12.503 3.819 7.562 1.00 15.00 C ATOM 0 HA PRO A 172 11.542 0.942 6.483 1.00 15.00 H new ATOM 0 HB2 PRO A 172 9.991 1.921 8.599 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.642 1.382 8.835 1.00 15.00 H new ATOM 0 HG2 PRO A 172 10.595 4.180 8.481 1.00 15.00 H new ATOM 0 HG3 PRO A 172 11.822 3.594 9.587 1.00 15.00 H new ATOM 0 HD2 PRO A 172 12.505 4.878 7.305 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.498 3.581 7.937 1.00 15.00 H new ATOM 45 N LEU A 173 9.557 3.306 5.625 1.00 15.00 N ATOM 46 CA LEU A 173 8.330 3.605 4.894 1.00 15.00 C ATOM 47 C LEU A 173 8.616 4.629 3.799 1.00 15.00 C ATOM 48 O LEU A 173 8.899 5.791 4.096 1.00 15.00 O ATOM 49 CB LEU A 173 7.241 4.152 5.831 1.00 15.00 C ATOM 50 CG LEU A 173 6.739 3.203 6.931 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.725 3.918 7.812 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.112 1.947 6.335 1.00 15.00 C ATOM 0 H LEU A 173 10.171 4.110 5.752 1.00 15.00 H new ATOM 0 HA LEU A 173 7.969 2.677 4.450 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.624 5.054 6.308 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.387 4.451 5.223 1.00 15.00 H new ATOM 0 HG LEU A 173 7.596 2.902 7.533 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.375 3.238 8.589 1.00 15.00 H new ATOM 0 HD12 LEU A 173 6.193 4.787 8.274 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.880 4.242 7.205 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.767 1.296 7.138 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.267 2.226 5.706 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.853 1.420 5.734 1.00 15.00 H new ATOM 64 N PRO A 174 8.606 4.196 2.527 1.00 15.00 N ATOM 65 CA PRO A 174 8.834 5.083 1.375 1.00 15.00 C ATOM 66 C PRO A 174 7.827 6.236 1.314 1.00 15.00 C ATOM 67 O PRO A 174 6.656 6.071 1.664 1.00 15.00 O ATOM 68 CB PRO A 174 8.665 4.149 0.165 1.00 15.00 C ATOM 69 CG PRO A 174 8.905 2.782 0.701 1.00 15.00 C ATOM 70 CD PRO A 174 8.389 2.801 2.110 1.00 15.00 C ATOM 0 HA PRO A 174 9.810 5.567 1.421 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.667 4.235 -0.265 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.375 4.394 -0.625 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.387 2.031 0.105 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.966 2.532 0.676 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.335 2.526 2.157 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.930 2.101 2.747 1.00 15.00 H new ATOM 78 N ALA A 175 8.281 7.390 0.832 1.00 15.00 N ATOM 79 CA ALA A 175 7.439 8.580 0.775 1.00 15.00 C ATOM 80 C ALA A 175 6.684 8.647 -0.547 1.00 15.00 C ATOM 81 O ALA A 175 7.228 8.320 -1.605 1.00 15.00 O ATOM 82 CB ALA A 175 8.277 9.835 0.975 1.00 15.00 C ATOM 0 H ALA A 175 9.227 7.526 0.476 1.00 15.00 H new ATOM 0 HA ALA A 175 6.708 8.519 1.581 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.633 10.713 0.930 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.767 9.794 1.948 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.032 9.897 0.191 1.00 15.00 H new ATOM 88 N GLY A 176 5.430 9.076 -0.476 1.00 15.00 N ATOM 89 CA GLY A 176 4.567 9.066 -1.639 1.00 15.00 C ATOM 90 C GLY A 176 3.848 7.741 -1.756 1.00 15.00 C ATOM 91 O GLY A 176 3.260 7.414 -2.792 1.00 15.00 O ATOM 0 H GLY A 176 4.994 9.433 0.374 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.840 9.875 -1.566 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.157 9.247 -2.538 1.00 15.00 H new ATOM 95 N TRP A 177 3.887 6.994 -0.666 1.00 15.00 N ATOM 96 CA TRP A 177 3.285 5.677 -0.592 1.00 15.00 C ATOM 97 C TRP A 177 2.289 5.631 0.555 1.00 15.00 C ATOM 98 O TRP A 177 2.466 6.305 1.571 1.00 15.00 O ATOM 99 CB TRP A 177 4.365 4.612 -0.375 1.00 15.00 C ATOM 100 CG TRP A 177 5.231 4.356 -1.571 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.273 5.114 -2.013 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.141 3.243 -2.459 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.827 4.546 -3.135 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.150 3.394 -3.425 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.301 2.134 -2.531 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.340 2.477 -4.450 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.492 1.221 -3.546 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.507 1.398 -4.493 1.00 15.00 C ATOM 0 H TRP A 177 4.341 7.288 0.199 1.00 15.00 H new ATOM 0 HA TRP A 177 2.769 5.474 -1.530 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.998 4.918 0.458 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.884 3.678 -0.083 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.614 6.028 -1.549 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.614 4.922 -3.664 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.514 1.992 -1.805 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.119 2.613 -5.186 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.849 0.356 -3.611 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.633 0.664 -5.275 1.00 15.00 H new ATOM 119 N GLU A 178 1.246 4.838 0.393 1.00 15.00 N ATOM 120 CA GLU A 178 0.277 4.634 1.454 1.00 15.00 C ATOM 121 C GLU A 178 0.642 3.369 2.216 1.00 15.00 C ATOM 122 O GLU A 178 0.587 2.270 1.662 1.00 15.00 O ATOM 123 CB GLU A 178 -1.133 4.519 0.878 1.00 15.00 C ATOM 124 CG GLU A 178 -2.227 4.614 1.922 1.00 15.00 C ATOM 125 CD GLU A 178 -2.325 6.004 2.513 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.592 6.298 3.477 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -3.122 6.814 1.997 1.00 15.00 O ATOM 0 H GLU A 178 1.048 4.324 -0.465 1.00 15.00 H new ATOM 0 HA GLU A 178 0.294 5.488 2.131 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.279 5.306 0.139 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.225 3.568 0.353 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.182 4.343 1.472 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.033 3.894 2.717 1.00 15.00 H new ATOM 134 N MET A 179 1.031 3.528 3.474 1.00 15.00 N ATOM 135 CA MET A 179 1.565 2.413 4.244 1.00 15.00 C ATOM 136 C MET A 179 0.527 1.885 5.221 1.00 15.00 C ATOM 137 O MET A 179 0.196 2.555 6.200 1.00 15.00 O ATOM 138 CB MET A 179 2.818 2.842 5.026 1.00 15.00 C ATOM 139 CG MET A 179 3.710 3.837 4.292 1.00 15.00 C ATOM 140 SD MET A 179 4.207 3.274 2.653 1.00 15.00 S ATOM 141 CE MET A 179 5.278 1.903 3.059 1.00 15.00 C ATOM 0 H MET A 179 0.987 4.412 3.980 1.00 15.00 H new ATOM 0 HA MET A 179 1.831 1.624 3.540 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.507 3.282 5.973 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.404 1.954 5.264 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.183 4.787 4.198 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.602 4.025 4.890 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.604 1.412 2.142 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.148 2.270 3.603 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.736 1.189 3.680 1.00 15.00 H new ATOM 151 N ALA A 180 -0.002 0.697 4.963 1.00 15.00 N ATOM 152 CA ALA A 180 -0.926 0.088 5.908 1.00 15.00 C ATOM 153 C ALA A 180 -0.816 -1.428 5.907 1.00 15.00 C ATOM 154 O ALA A 180 -0.647 -2.058 4.863 1.00 15.00 O ATOM 155 CB ALA A 180 -2.357 0.517 5.631 1.00 15.00 C ATOM 0 H ALA A 180 0.187 0.146 4.126 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.646 0.442 6.900 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.024 0.046 6.353 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.435 1.601 5.718 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.640 0.212 4.623 1.00 15.00 H new ATOM 161 N LYS A 181 -0.903 -2.001 7.095 1.00 15.00 N ATOM 162 CA LYS A 181 -0.862 -3.442 7.269 1.00 15.00 C ATOM 163 C LYS A 181 -2.081 -3.871 8.070 1.00 15.00 C ATOM 164 O LYS A 181 -2.291 -3.395 9.189 1.00 15.00 O ATOM 165 CB LYS A 181 0.424 -3.846 7.998 1.00 15.00 C ATOM 166 CG LYS A 181 1.690 -3.314 7.342 1.00 15.00 C ATOM 167 CD LYS A 181 2.919 -3.597 8.188 1.00 15.00 C ATOM 168 CE LYS A 181 4.167 -2.961 7.589 1.00 15.00 C ATOM 169 NZ LYS A 181 5.374 -3.215 8.420 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.004 -1.480 7.966 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.872 -3.934 6.296 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.378 -3.485 9.025 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.479 -4.934 8.045 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.811 -3.770 6.360 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.595 -2.240 7.185 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.763 -3.215 9.197 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.063 -4.674 8.273 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.328 -3.354 6.585 1.00 15.00 H new ATOM 0 HE3 LYS A 181 4.014 -1.886 7.490 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 6.201 -2.766 7.978 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 5.231 -2.818 9.370 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.535 -4.240 8.494 1.00 15.00 H new ATOM 183 N THR A 182 -2.885 -4.759 7.512 1.00 15.00 N ATOM 184 CA THR A 182 -4.126 -5.146 8.155 1.00 15.00 C ATOM 185 C THR A 182 -3.887 -6.333 9.074 1.00 15.00 C ATOM 186 O THR A 182 -3.030 -7.179 8.796 1.00 15.00 O ATOM 187 CB THR A 182 -5.223 -5.514 7.122 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.982 -6.818 6.579 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.268 -4.508 5.979 1.00 15.00 C ATOM 0 H THR A 182 -2.702 -5.222 6.622 1.00 15.00 H new ATOM 0 HA THR A 182 -4.475 -4.289 8.731 1.00 15.00 H new ATOM 0 HB THR A 182 -6.179 -5.500 7.646 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.824 -7.196 6.250 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.047 -4.795 5.273 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.485 -3.516 6.376 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.304 -4.492 5.470 1.00 15.00 H new ATOM 197 N SER A 183 -4.648 -6.397 10.165 1.00 15.00 N ATOM 198 CA SER A 183 -4.535 -7.487 11.130 1.00 15.00 C ATOM 199 C SER A 183 -4.851 -8.834 10.481 1.00 15.00 C ATOM 200 O SER A 183 -4.565 -9.893 11.038 1.00 15.00 O ATOM 201 CB SER A 183 -5.476 -7.237 12.306 1.00 15.00 C ATOM 202 OG SER A 183 -5.291 -5.930 12.830 1.00 15.00 O ATOM 0 H SER A 183 -5.354 -5.701 10.403 1.00 15.00 H new ATOM 0 HA SER A 183 -3.507 -7.520 11.490 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.510 -7.362 11.983 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.294 -7.976 13.087 1.00 15.00 H new ATOM 0 HG SER A 183 -5.904 -5.789 13.581 1.00 15.00 H new ATOM 208 N SER A 184 -5.453 -8.773 9.301 1.00 15.00 N ATOM 209 CA SER A 184 -5.744 -9.952 8.505 1.00 15.00 C ATOM 210 C SER A 184 -4.452 -10.585 7.987 1.00 15.00 C ATOM 211 O SER A 184 -4.445 -11.719 7.511 1.00 15.00 O ATOM 212 CB SER A 184 -6.634 -9.556 7.331 1.00 15.00 C ATOM 213 OG SER A 184 -7.432 -8.430 7.665 1.00 15.00 O ATOM 0 H SER A 184 -5.754 -7.899 8.869 1.00 15.00 H new ATOM 0 HA SER A 184 -6.258 -10.684 9.128 1.00 15.00 H new ATOM 0 HB2 SER A 184 -6.018 -9.326 6.462 1.00 15.00 H new ATOM 0 HB3 SER A 184 -7.275 -10.393 7.055 1.00 15.00 H new ATOM 0 HG SER A 184 -7.995 -8.189 6.900 1.00 15.00 H new ATOM 219 N GLY A 185 -3.362 -9.832 8.074 1.00 15.00 N ATOM 220 CA GLY A 185 -2.102 -10.270 7.516 1.00 15.00 C ATOM 221 C GLY A 185 -1.939 -9.819 6.083 1.00 15.00 C ATOM 222 O GLY A 185 -1.324 -10.504 5.266 1.00 15.00 O ATOM 0 H GLY A 185 -3.332 -8.918 8.526 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.282 -9.877 8.117 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -2.041 -11.357 7.565 1.00 15.00 H new ATOM 226 N GLN A 186 -2.489 -8.647 5.781 1.00 15.00 N ATOM 227 CA GLN A 186 -2.381 -8.075 4.446 1.00 15.00 C ATOM 228 C GLN A 186 -1.546 -6.810 4.477 1.00 15.00 C ATOM 229 O GLN A 186 -1.918 -5.820 5.108 1.00 15.00 O ATOM 230 CB GLN A 186 -3.760 -7.770 3.858 1.00 15.00 C ATOM 231 CG GLN A 186 -4.508 -9.005 3.394 1.00 15.00 C ATOM 232 CD GLN A 186 -5.949 -8.719 3.024 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.539 -7.723 3.665 1.00 15.00 O flip ATOM 234 NE2 GLN A 186 -6.526 -9.391 2.169 1.00 15.00 N flip ATOM 0 H GLN A 186 -3.014 -8.076 6.444 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.892 -8.813 3.810 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.359 -7.253 4.607 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.644 -7.088 3.016 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.995 -9.432 2.532 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.483 -9.756 4.183 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.033 -10.150 1.699 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.497 -9.188 1.931 1.00 15.00 H new ATOM 243 N ARG A 187 -0.410 -6.860 3.812 1.00 15.00 N ATOM 244 CA ARG A 187 0.459 -5.707 3.706 1.00 15.00 C ATOM 245 C ARG A 187 0.303 -5.079 2.321 1.00 15.00 C ATOM 246 O ARG A 187 0.720 -5.658 1.322 1.00 15.00 O ATOM 247 CB ARG A 187 1.917 -6.115 3.969 1.00 15.00 C ATOM 248 CG ARG A 187 2.425 -7.222 3.052 1.00 15.00 C ATOM 249 CD ARG A 187 3.734 -7.814 3.545 1.00 15.00 C ATOM 250 NE ARG A 187 4.804 -6.820 3.646 1.00 15.00 N ATOM 251 CZ ARG A 187 5.881 -6.977 4.418 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.022 -8.081 5.147 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.822 -6.041 4.455 1.00 15.00 N ATOM 0 H ARG A 187 -0.066 -7.693 3.334 1.00 15.00 H new ATOM 0 HA ARG A 187 0.179 -4.968 4.457 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.555 -5.239 3.853 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.011 -6.443 5.004 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.674 -8.009 2.984 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.563 -6.825 2.046 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.576 -8.271 4.522 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.046 -8.609 2.868 1.00 15.00 H new ATOM 0 HE ARG A 187 4.722 -5.964 3.098 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.307 -8.808 5.116 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.845 -8.201 5.737 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.724 -5.197 3.891 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.643 -6.166 5.047 1.00 15.00 H new ATOM 267 N TYR A 188 -0.346 -3.925 2.247 1.00 15.00 N ATOM 268 CA TYR A 188 -0.509 -3.257 0.972 1.00 15.00 C ATOM 269 C TYR A 188 0.117 -1.878 1.020 1.00 15.00 C ATOM 270 O TYR A 188 0.117 -1.203 2.060 1.00 15.00 O ATOM 271 CB TYR A 188 -1.986 -3.177 0.543 1.00 15.00 C ATOM 272 CG TYR A 188 -2.905 -2.465 1.511 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.788 -1.101 1.744 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.909 -3.156 2.175 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.631 -0.451 2.615 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.761 -2.506 3.050 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.614 -1.158 3.268 1.00 15.00 C ATOM 278 OH TYR A 188 -5.457 -0.515 4.143 1.00 15.00 O ATOM 0 H TYR A 188 -0.761 -3.441 3.044 1.00 15.00 H new ATOM 0 HA TYR A 188 0.006 -3.853 0.219 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.040 -2.672 -0.421 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.359 -4.190 0.393 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.021 -0.540 1.232 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.027 -4.216 2.006 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.522 0.610 2.786 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.538 -3.056 3.559 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.094 -1.159 4.517 1.00 15.00 H new ATOM 288 N PHE A 189 0.654 -1.473 -0.106 1.00 15.00 N ATOM 289 CA PHE A 189 1.273 -0.180 -0.228 1.00 15.00 C ATOM 290 C PHE A 189 0.741 0.515 -1.470 1.00 15.00 C ATOM 291 O PHE A 189 0.808 -0.025 -2.573 1.00 15.00 O ATOM 292 CB PHE A 189 2.794 -0.341 -0.295 1.00 15.00 C ATOM 293 CG PHE A 189 3.354 -1.168 0.831 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.497 -0.626 2.094 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.729 -2.486 0.627 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.004 -1.378 3.137 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.237 -3.243 1.664 1.00 15.00 C ATOM 298 CZ PHE A 189 4.375 -2.687 2.923 1.00 15.00 C ATOM 0 H PHE A 189 0.673 -2.031 -0.960 1.00 15.00 H new ATOM 0 HA PHE A 189 1.034 0.432 0.642 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.062 -0.804 -1.245 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.258 0.645 -0.278 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.208 0.400 2.269 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.623 -2.926 -0.354 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.109 -0.940 4.118 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.527 -4.269 1.492 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.772 -3.277 3.735 1.00 15.00 H new ATOM 308 N LEU A 190 0.193 1.700 -1.287 1.00 15.00 N ATOM 309 CA LEU A 190 -0.350 2.461 -2.402 1.00 15.00 C ATOM 310 C LEU A 190 0.711 3.354 -3.013 1.00 15.00 C ATOM 311 O LEU A 190 1.451 4.011 -2.288 1.00 15.00 O ATOM 312 CB LEU A 190 -1.483 3.385 -1.957 1.00 15.00 C ATOM 313 CG LEU A 190 -2.907 2.845 -1.988 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.828 3.950 -2.481 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.020 1.609 -2.864 1.00 15.00 C ATOM 0 H LEU A 190 0.111 2.159 -0.380 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.714 1.725 -3.119 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.270 3.705 -0.937 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.451 4.276 -2.584 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.198 2.540 -0.983 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.854 3.583 -2.510 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.767 4.803 -1.805 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.524 4.258 -3.482 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.050 1.254 -2.861 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.725 1.857 -3.884 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.365 0.828 -2.477 1.00 15.00 H new ATOM 327 N ASN A 191 0.755 3.437 -4.332 1.00 15.00 N ATOM 328 CA ASN A 191 1.526 4.476 -4.963 1.00 15.00 C ATOM 329 C ASN A 191 0.615 5.668 -5.142 1.00 15.00 C ATOM 330 O ASN A 191 -0.161 5.710 -6.100 1.00 15.00 O ATOM 331 CB ASN A 191 2.075 4.067 -6.335 1.00 15.00 C ATOM 332 CG ASN A 191 2.884 2.788 -6.330 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.570 1.836 -5.619 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.936 2.756 -7.134 1.00 15.00 N ATOM 0 H ASN A 191 0.272 2.806 -4.971 1.00 15.00 H new ATOM 0 HA ASN A 191 2.386 4.696 -4.330 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.241 3.952 -7.027 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.698 4.875 -6.719 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.519 1.920 -7.178 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.163 3.567 -7.709 1.00 15.00 H new ATOM 341 N HIS A 192 0.672 6.608 -4.192 1.00 15.00 N ATOM 342 CA HIS A 192 -0.153 7.816 -4.254 1.00 15.00 C ATOM 343 C HIS A 192 0.324 8.713 -5.394 1.00 15.00 C ATOM 344 O HIS A 192 -0.286 9.733 -5.703 1.00 15.00 O ATOM 345 CB HIS A 192 -0.123 8.592 -2.926 1.00 15.00 C ATOM 346 CG HIS A 192 -1.289 8.305 -2.012 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.459 9.034 -2.027 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.449 7.383 -1.033 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.280 8.573 -1.106 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.697 7.575 -0.483 1.00 15.00 N ATOM 0 H HIS A 192 1.279 6.554 -3.374 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.183 7.509 -4.437 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.802 8.354 -2.401 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.101 9.660 -3.143 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.729 6.634 -0.738 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.269 8.953 -0.898 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.101 7.033 0.281 1.00 15.00 H new ATOM 359 N ILE A 193 1.434 8.323 -6.001 1.00 15.00 N ATOM 360 CA ILE A 193 1.966 9.022 -7.156 1.00 15.00 C ATOM 361 C ILE A 193 1.544 8.321 -8.449 1.00 15.00 C ATOM 362 O ILE A 193 1.178 8.972 -9.428 1.00 15.00 O ATOM 363 CB ILE A 193 3.509 9.093 -7.095 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.960 9.718 -5.771 1.00 15.00 C ATOM 365 CG2 ILE A 193 4.056 9.889 -8.274 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.461 9.701 -5.568 1.00 15.00 C ATOM 0 H ILE A 193 1.987 7.518 -5.708 1.00 15.00 H new ATOM 0 HA ILE A 193 1.563 10.035 -7.145 1.00 15.00 H new ATOM 0 HB ILE A 193 3.904 8.079 -7.154 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.608 10.749 -5.728 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.485 9.185 -4.948 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.144 9.928 -8.214 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.761 9.407 -9.206 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.655 10.902 -8.247 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.704 10.160 -4.610 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.818 8.671 -5.578 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.943 10.260 -6.370 1.00 15.00 H new ATOM 378 N ASP A 194 1.566 6.992 -8.430 1.00 15.00 N ATOM 379 CA ASP A 194 1.349 6.199 -9.639 1.00 15.00 C ATOM 380 C ASP A 194 -0.110 5.794 -9.818 1.00 15.00 C ATOM 381 O ASP A 194 -0.486 5.324 -10.893 1.00 15.00 O ATOM 382 CB ASP A 194 2.218 4.937 -9.638 1.00 15.00 C ATOM 383 CG ASP A 194 3.702 5.237 -9.685 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.214 5.550 -10.779 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.365 5.142 -8.628 1.00 15.00 O1- ATOM 0 H ASP A 194 1.732 6.439 -7.589 1.00 15.00 H new ATOM 0 HA ASP A 194 1.632 6.841 -10.473 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.000 4.353 -8.744 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.951 4.319 -10.495 1.00 15.00 H new ATOM 390 N GLN A 195 -0.910 5.928 -8.752 1.00 15.00 N ATOM 391 CA GLN A 195 -2.331 5.550 -8.783 1.00 15.00 C ATOM 392 C GLN A 195 -2.463 4.026 -8.795 1.00 15.00 C ATOM 393 O GLN A 195 -3.439 3.467 -9.297 1.00 15.00 O ATOM 394 CB GLN A 195 -3.026 6.182 -10.011 1.00 15.00 C ATOM 395 CG GLN A 195 -4.537 5.992 -10.064 1.00 15.00 C ATOM 396 CD GLN A 195 -5.149 6.484 -11.364 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.515 6.453 -12.419 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.392 6.934 -11.300 1.00 15.00 N ATOM 0 H GLN A 195 -0.597 6.297 -7.854 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.824 5.929 -7.888 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.809 7.250 -10.023 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.590 5.758 -10.915 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.770 4.935 -9.936 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.994 6.523 -9.229 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.885 6.944 -10.407 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.857 7.271 -12.143 1.00 15.00 H new ATOM 407 N THR A 196 -1.514 3.353 -8.171 1.00 15.00 N ATOM 408 CA THR A 196 -1.492 1.900 -8.217 1.00 15.00 C ATOM 409 C THR A 196 -1.493 1.282 -6.822 1.00 15.00 C ATOM 410 O THR A 196 -1.009 1.880 -5.859 1.00 15.00 O ATOM 411 CB THR A 196 -0.274 1.380 -9.005 1.00 15.00 C ATOM 412 OG1 THR A 196 0.931 1.936 -8.471 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.380 1.734 -10.478 1.00 15.00 C ATOM 0 H THR A 196 -0.759 3.779 -7.634 1.00 15.00 H new ATOM 0 HA THR A 196 -2.405 1.597 -8.729 1.00 15.00 H new ATOM 0 HB THR A 196 -0.254 0.294 -8.908 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.699 1.598 -8.977 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.494 1.354 -11.007 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.281 1.285 -10.896 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.429 2.817 -10.589 1.00 15.00 H new ATOM 421 N THR A 197 -2.072 0.092 -6.724 1.00 15.00 N ATOM 422 CA THR A 197 -2.095 -0.658 -5.480 1.00 15.00 C ATOM 423 C THR A 197 -1.052 -1.772 -5.516 1.00 15.00 C ATOM 424 O THR A 197 -1.085 -2.637 -6.391 1.00 15.00 O ATOM 425 CB THR A 197 -3.489 -1.263 -5.241 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.491 -0.264 -5.476 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.617 -1.782 -3.820 1.00 15.00 C ATOM 0 H THR A 197 -2.536 -0.377 -7.502 1.00 15.00 H new ATOM 0 HA THR A 197 -1.862 0.026 -4.664 1.00 15.00 H new ATOM 0 HB THR A 197 -3.627 -2.097 -5.929 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.379 -0.650 -5.325 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.611 -2.205 -3.675 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.866 -2.552 -3.645 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.466 -0.962 -3.118 1.00 15.00 H new ATOM 435 N THR A 198 -0.128 -1.745 -4.572 1.00 15.00 N ATOM 436 CA THR A 198 0.984 -2.678 -4.561 1.00 15.00 C ATOM 437 C THR A 198 0.856 -3.700 -3.416 1.00 15.00 C ATOM 438 O THR A 198 0.740 -3.315 -2.251 1.00 15.00 O ATOM 439 CB THR A 198 2.305 -1.895 -4.418 1.00 15.00 C ATOM 440 OG1 THR A 198 2.389 -0.903 -5.451 1.00 15.00 O ATOM 441 CG2 THR A 198 3.511 -2.811 -4.499 1.00 15.00 C ATOM 0 H THR A 198 -0.127 -1.081 -3.797 1.00 15.00 H new ATOM 0 HA THR A 198 0.976 -3.230 -5.501 1.00 15.00 H new ATOM 0 HB THR A 198 2.308 -1.419 -3.437 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.437 -0.012 -5.046 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.423 -2.223 -4.394 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.462 -3.549 -3.699 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.517 -3.320 -5.463 1.00 15.00 H new ATOM 449 N TRP A 199 0.852 -4.998 -3.752 1.00 15.00 N ATOM 450 CA TRP A 199 0.852 -6.054 -2.736 1.00 15.00 C ATOM 451 C TRP A 199 2.268 -6.326 -2.226 1.00 15.00 C ATOM 452 O TRP A 199 2.475 -6.635 -1.054 1.00 15.00 O ATOM 453 CB TRP A 199 0.303 -7.375 -3.289 1.00 15.00 C ATOM 454 CG TRP A 199 -1.190 -7.552 -3.277 1.00 15.00 C ATOM 455 CD1 TRP A 199 -1.955 -7.991 -4.324 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.102 -7.322 -2.190 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.263 -8.105 -3.942 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.375 -7.703 -2.648 1.00 15.00 C ATOM 459 CE3 TRP A 199 -1.986 -6.850 -0.872 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.491 -7.647 -1.851 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.138 -6.767 -0.099 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.373 -7.186 -0.613 1.00 15.00 C ATOM 0 H TRP A 199 0.849 -5.338 -4.714 1.00 15.00 H new ATOM 0 HA TRP A 199 0.215 -5.696 -1.927 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.648 -7.481 -4.317 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.746 -8.191 -2.718 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.579 -8.215 -5.311 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.028 -8.437 -4.530 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.027 -6.559 -0.470 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.450 -7.973 -2.226 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.081 -6.376 0.906 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.250 -7.132 0.015 1.00 15.00 H new ATOM 473 N GLN A 200 3.239 -6.243 -3.128 1.00 15.00 N ATOM 474 CA GLN A 200 4.610 -6.630 -2.819 1.00 15.00 C ATOM 475 C GLN A 200 5.389 -5.436 -2.282 1.00 15.00 C ATOM 476 O GLN A 200 5.434 -4.391 -2.922 1.00 15.00 O ATOM 477 CB GLN A 200 5.294 -7.170 -4.079 1.00 15.00 C ATOM 478 CG GLN A 200 6.593 -7.919 -3.816 1.00 15.00 C ATOM 479 CD GLN A 200 6.366 -9.287 -3.198 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.205 -10.280 -3.906 1.00 15.00 O ATOM 481 NE2 GLN A 200 6.363 -9.353 -1.876 1.00 15.00 N ATOM 0 H GLN A 200 3.101 -5.910 -4.082 1.00 15.00 H new ATOM 0 HA GLN A 200 4.591 -7.409 -2.057 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.603 -7.836 -4.596 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.498 -6.337 -4.752 1.00 15.00 H new ATOM 0 HG2 GLN A 200 7.137 -8.034 -4.753 1.00 15.00 H new ATOM 0 HG3 GLN A 200 7.222 -7.325 -3.153 1.00 15.00 H new ATOM 0 HE21 GLN A 200 6.500 -8.507 -1.323 1.00 15.00 H new ATOM 0 HE22 GLN A 200 6.224 -10.250 -1.410 1.00 15.00 H new ATOM 490 N ASP A 201 6.002 -5.605 -1.113 1.00 15.00 N ATOM 491 CA ASP A 201 6.743 -4.526 -0.456 1.00 15.00 C ATOM 492 C ASP A 201 7.755 -3.885 -1.408 1.00 15.00 C ATOM 493 O ASP A 201 8.716 -4.531 -1.841 1.00 15.00 O ATOM 494 CB ASP A 201 7.465 -5.061 0.783 1.00 15.00 C ATOM 495 CG ASP A 201 7.881 -3.958 1.734 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.676 -3.083 1.335 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.402 -3.962 2.890 1.00 15.00 O ATOM 0 H ASP A 201 6.001 -6.485 -0.597 1.00 15.00 H new ATOM 0 HA ASP A 201 6.025 -3.762 -0.157 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.813 -5.760 1.306 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.347 -5.620 0.472 1.00 15.00 H new ATOM 502 N PRO A 202 7.538 -2.600 -1.753 1.00 15.00 N ATOM 503 CA PRO A 202 8.382 -1.855 -2.698 1.00 15.00 C ATOM 504 C PRO A 202 9.846 -1.748 -2.277 1.00 15.00 C ATOM 505 O PRO A 202 10.699 -1.376 -3.084 1.00 15.00 O ATOM 506 CB PRO A 202 7.752 -0.460 -2.742 1.00 15.00 C ATOM 507 CG PRO A 202 6.871 -0.383 -1.543 1.00 15.00 C ATOM 508 CD PRO A 202 6.411 -1.785 -1.278 1.00 15.00 C ATOM 0 HA PRO A 202 8.411 -2.367 -3.660 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.516 0.317 -2.718 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.180 -0.316 -3.659 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.412 0.019 -0.686 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.023 0.278 -1.723 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.212 -1.951 -0.219 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.491 -2.016 -1.816 1.00 15.00 H new ATOM 516 N ARG A 203 10.139 -2.045 -1.019 1.00 15.00 N ATOM 517 CA ARG A 203 11.513 -1.985 -0.537 1.00 15.00 C ATOM 518 C ARG A 203 12.280 -3.227 -0.967 1.00 15.00 C ATOM 519 O ARG A 203 13.511 -3.257 -0.941 1.00 15.00 O ATOM 520 CB ARG A 203 11.548 -1.840 0.980 1.00 15.00 C ATOM 521 CG ARG A 203 10.945 -0.538 1.476 1.00 15.00 C ATOM 522 CD ARG A 203 10.737 -0.564 2.977 1.00 15.00 C ATOM 523 NE ARG A 203 9.843 -1.649 3.375 1.00 15.00 N ATOM 524 CZ ARG A 203 9.678 -2.054 4.630 1.00 15.00 C ATOM 525 NH1 ARG A 203 10.387 -1.502 5.607 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 8.811 -3.016 4.903 1.00 15.00 N ATOM 0 H ARG A 203 9.452 -2.327 -0.319 1.00 15.00 H new ATOM 0 HA ARG A 203 11.991 -1.109 -0.976 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.011 -2.675 1.430 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.582 -1.906 1.320 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.600 0.292 1.212 1.00 15.00 H new ATOM 0 HG3 ARG A 203 9.992 -0.363 0.978 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.699 -0.682 3.477 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.322 0.389 3.304 1.00 15.00 H new ATOM 0 HE ARG A 203 9.313 -2.125 2.645 1.00 15.00 H new ATOM 0 HH11 ARG A 203 11.060 -0.765 5.395 1.00 15.00 H new ATOM 0 HH12 ARG A 203 10.259 -1.814 6.569 1.00 15.00 H new ATOM 0 HH21 ARG A 203 8.271 -3.445 4.151 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.682 -3.329 5.865 1.00 15.00 H new ATOM 540 N LYS A 204 11.542 -4.263 -1.334 1.00 15.00 N ATOM 541 CA LYS A 204 12.143 -5.476 -1.861 1.00 15.00 C ATOM 542 C LYS A 204 12.039 -5.484 -3.376 1.00 15.00 C ATOM 543 O LYS A 204 12.957 -5.930 -4.070 1.00 15.00 O ATOM 544 CB LYS A 204 11.453 -6.716 -1.294 1.00 15.00 C ATOM 545 CG LYS A 204 12.104 -8.020 -1.725 1.00 15.00 C ATOM 546 CD LYS A 204 11.213 -9.220 -1.441 1.00 15.00 C ATOM 547 CE LYS A 204 10.003 -9.256 -2.362 1.00 15.00 C ATOM 548 NZ LYS A 204 10.388 -9.424 -3.789 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.524 -4.287 -1.276 1.00 15.00 H new ATOM 0 HA LYS A 204 13.192 -5.497 -1.565 1.00 15.00 H new ATOM 0 HB2 LYS A 204 11.457 -6.659 -0.205 1.00 15.00 H new ATOM 0 HB3 LYS A 204 10.410 -6.718 -1.609 1.00 15.00 H new ATOM 0 HG2 LYS A 204 12.329 -7.979 -2.791 1.00 15.00 H new ATOM 0 HG3 LYS A 204 13.054 -8.141 -1.204 1.00 15.00 H new ATOM 0 HD2 LYS A 204 11.789 -10.137 -1.562 1.00 15.00 H new ATOM 0 HD3 LYS A 204 10.879 -9.188 -0.404 1.00 15.00 H new ATOM 0 HE2 LYS A 204 9.347 -10.075 -2.066 1.00 15.00 H new ATOM 0 HE3 LYS A 204 9.434 -8.334 -2.247 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 9.883 -10.239 -4.191 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 10.137 -8.565 -4.320 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 11.413 -9.585 -3.855 1.00 15.00 H new ATOM 562 N ALA A 205 10.900 -4.998 -3.868 1.00 15.00 N ATOM 563 CA ALA A 205 10.593 -4.994 -5.293 1.00 15.00 C ATOM 564 C ALA A 205 10.708 -6.405 -5.861 1.00 15.00 C ATOM 565 O ALA A 205 10.049 -7.311 -5.315 1.00 15.00 O ATOM 566 CB ALA A 205 11.500 -4.022 -6.039 1.00 15.00 C ATOM 567 OXT ALA A 205 11.462 -6.606 -6.835 1.00 15.00 O ATOM 0 H ALA A 205 10.165 -4.596 -3.287 1.00 15.00 H new ATOM 0 HA ALA A 205 9.566 -4.656 -5.428 1.00 15.00 H new ATOM 0 HB1 ALA A 205 11.253 -4.036 -7.101 1.00 15.00 H new ATOM 0 HB2 ALA A 205 11.356 -3.016 -5.646 1.00 15.00 H new ATOM 0 HB3 ALA A 205 12.540 -4.319 -5.905 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.089 -15.437 -4.108 1.00 15.00 N ATOM 575 CA GLY B 204 -3.524 -15.664 -3.811 1.00 15.00 C ATOM 576 C GLY B 204 -4.083 -14.599 -2.898 1.00 15.00 C ATOM 577 O GLY B 204 -4.367 -14.861 -1.728 1.00 15.00 O ATOM 0 HA2 GLY B 204 -4.090 -15.678 -4.742 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -3.649 -16.642 -3.347 1.00 15.00 H new ATOM 583 N GLU B 205 -4.247 -13.399 -3.426 1.00 15.00 N ATOM 584 CA GLU B 205 -4.671 -12.274 -2.616 1.00 15.00 C ATOM 585 C GLU B 205 -6.115 -11.901 -2.922 1.00 15.00 C ATOM 586 O GLU B 205 -6.599 -12.073 -4.044 1.00 15.00 O ATOM 587 CB GLU B 205 -3.772 -11.053 -2.843 1.00 15.00 C ATOM 588 CG GLU B 205 -2.281 -11.308 -2.646 1.00 15.00 C ATOM 589 CD GLU B 205 -1.982 -12.217 -1.470 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.359 -11.866 -0.331 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.379 -13.296 -1.686 1.00 15.00 O ATOM 0 H GLU B 205 -4.093 -13.180 -4.410 1.00 15.00 H new ATOM 0 HA GLU B 205 -4.591 -12.579 -1.573 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -3.932 -10.686 -3.857 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.083 -10.260 -2.163 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -1.872 -11.752 -3.554 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -1.772 -10.355 -2.499 1.00 15.00 H new ATOM 598 N SER B 206 -6.787 -11.375 -1.919 1.00 15.00 N ATOM 599 CA SER B 206 -8.141 -10.877 -2.073 1.00 15.00 C ATOM 600 C SER B 206 -8.068 -9.406 -2.472 1.00 15.00 C ATOM 601 O SER B 206 -7.126 -8.724 -2.081 1.00 15.00 O ATOM 602 CB SER B 206 -8.894 -11.044 -0.754 1.00 15.00 C ATOM 603 OG SER B 206 -8.755 -12.370 -0.266 1.00 15.00 O ATOM 0 H SER B 206 -6.412 -11.280 -0.975 1.00 15.00 H new ATOM 0 HA SER B 206 -8.673 -11.434 -2.844 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.511 -10.337 -0.018 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.949 -10.812 -0.899 1.00 15.00 H new ATOM 0 HG SER B 206 -9.241 -12.460 0.580 1.00 15.00 H new ATOM 609 N PRO B 207 -9.053 -8.893 -3.235 1.00 15.00 N ATOM 610 CA PRO B 207 -9.002 -7.527 -3.785 1.00 15.00 C ATOM 611 C PRO B 207 -8.637 -6.490 -2.723 1.00 15.00 C ATOM 612 O PRO B 207 -9.250 -6.435 -1.655 1.00 15.00 O ATOM 613 CB PRO B 207 -10.430 -7.303 -4.290 1.00 15.00 C ATOM 614 CG PRO B 207 -10.926 -8.668 -4.620 1.00 15.00 C ATOM 615 CD PRO B 207 -10.292 -9.594 -3.620 1.00 15.00 C ATOM 0 HA PRO B 207 -8.240 -7.420 -4.557 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.050 -6.828 -3.530 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.444 -6.653 -5.165 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.013 -8.713 -4.558 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.652 -8.947 -5.638 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.941 -9.761 -2.761 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.081 -10.571 -4.055 1.00 15.00 H new ATOM 623 N PRO B 208 -7.633 -5.646 -3.013 1.00 15.00 N ATOM 624 CA PRO B 208 -7.003 -4.736 -2.067 1.00 15.00 C ATOM 625 C PRO B 208 -7.696 -3.360 -2.076 1.00 15.00 C ATOM 626 O PRO B 208 -8.660 -3.151 -2.819 1.00 15.00 O ATOM 627 CB PRO B 208 -5.548 -4.655 -2.631 1.00 15.00 C ATOM 628 CG PRO B 208 -5.582 -5.482 -3.888 1.00 15.00 C ATOM 629 CD PRO B 208 -7.004 -5.409 -4.294 1.00 15.00 C ATOM 0 HA PRO B 208 -7.053 -5.063 -1.028 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.261 -3.625 -2.842 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.824 -5.048 -1.917 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.922 -5.078 -4.655 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.267 -6.509 -3.704 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.269 -4.440 -4.718 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.267 -6.164 -5.035 1.00 15.00 H new ATOM 637 N PRO B 209 -7.211 -2.415 -1.253 1.00 15.00 N ATOM 638 CA PRO B 209 -7.788 -1.065 -1.105 1.00 15.00 C ATOM 639 C PRO B 209 -8.060 -0.336 -2.420 1.00 15.00 C ATOM 640 O PRO B 209 -7.256 -0.386 -3.353 1.00 15.00 O ATOM 641 CB PRO B 209 -6.684 -0.293 -0.372 1.00 15.00 C ATOM 642 CG PRO B 209 -5.499 -1.193 -0.361 1.00 15.00 C ATOM 643 CD PRO B 209 -6.054 -2.575 -0.377 1.00 15.00 C ATOM 0 HA PRO B 209 -8.754 -1.133 -0.605 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.458 0.644 -0.881 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.992 -0.039 0.642 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.862 -1.015 -1.227 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -4.886 -1.026 0.525 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.340 -3.299 -0.769 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.338 -2.914 0.619 1.00 15.00 H new ATOM 651 N PRO B 210 -9.198 0.372 -2.489 1.00 15.00 N ATOM 652 CA PRO B 210 -9.481 1.321 -3.564 1.00 15.00 C ATOM 653 C PRO B 210 -8.535 2.517 -3.485 1.00 15.00 C ATOM 654 O PRO B 210 -8.291 3.054 -2.405 1.00 15.00 O ATOM 655 CB PRO B 210 -10.930 1.765 -3.301 1.00 15.00 C ATOM 656 CG PRO B 210 -11.476 0.774 -2.330 1.00 15.00 C ATOM 657 CD PRO B 210 -10.304 0.293 -1.529 1.00 15.00 C ATOM 0 HA PRO B 210 -9.348 0.884 -4.554 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.964 2.775 -2.893 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.512 1.774 -4.223 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.227 1.231 -1.686 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.961 -0.054 -2.848 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.127 0.920 -0.655 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.452 -0.724 -1.166 1.00 15.00 H new ATOM 665 N TYR B 211 -8.032 2.940 -4.633 1.00 15.00 N ATOM 666 CA TYR B 211 -6.999 3.971 -4.700 1.00 15.00 C ATOM 667 C TYR B 211 -7.521 5.388 -4.393 1.00 15.00 C ATOM 668 O TYR B 211 -6.722 6.299 -4.188 1.00 15.00 O ATOM 669 CB TYR B 211 -6.264 3.947 -6.059 1.00 15.00 C ATOM 670 CG TYR B 211 -5.270 5.080 -6.196 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.019 4.997 -5.606 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.603 6.254 -6.867 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.127 6.044 -5.676 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.709 7.306 -6.948 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.475 7.197 -6.348 1.00 15.00 C ATOM 676 OH TYR B 211 -2.582 8.238 -6.421 1.00 15.00 O ATOM 0 H TYR B 211 -8.324 2.583 -5.543 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.289 3.724 -3.910 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.744 2.995 -6.171 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.995 4.008 -6.866 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.738 4.095 -5.082 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.574 6.344 -7.331 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.158 5.962 -5.206 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -4.977 8.207 -7.479 1.00 15.00 H new ATOM 0 HH TYR B 211 -2.980 8.975 -6.930 1.00 15.00 H new ATOM 686 N SER B 212 -8.833 5.573 -4.291 1.00 15.00 N ATOM 687 CA SER B 212 -9.421 6.898 -4.487 1.00 15.00 C ATOM 688 C SER B 212 -8.859 7.928 -3.500 1.00 15.00 C ATOM 689 O SER B 212 -8.229 8.900 -3.932 1.00 15.00 O ATOM 690 CB SER B 212 -10.944 6.808 -4.364 1.00 15.00 C ATOM 691 OG SER B 212 -11.327 6.056 -3.219 1.00 15.00 O ATOM 0 H SER B 212 -9.504 4.835 -4.077 1.00 15.00 H new ATOM 0 HA SER B 212 -9.157 7.240 -5.488 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.366 7.811 -4.300 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.357 6.345 -5.260 1.00 15.00 H new ATOM 0 HG SER B 212 -12.305 6.017 -3.165 1.00 15.00 H new ATOM 697 N ARG B 213 -9.085 7.766 -2.207 1.00 15.00 N ATOM 698 CA ARG B 213 -8.320 8.551 -1.247 1.00 15.00 C ATOM 699 C ARG B 213 -7.544 7.635 -0.320 1.00 15.00 C ATOM 700 O ARG B 213 -6.320 7.539 -0.391 1.00 15.00 O ATOM 701 CB ARG B 213 -9.223 9.468 -0.415 1.00 15.00 C ATOM 702 CG ARG B 213 -8.491 10.626 0.243 1.00 15.00 C ATOM 703 CD ARG B 213 -7.733 11.471 -0.769 1.00 15.00 C ATOM 704 NE ARG B 213 -8.623 12.190 -1.679 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.195 12.931 -2.704 1.00 15.00 C ATOM 706 NH1 ARG B 213 -6.894 13.095 -2.911 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.069 13.537 -3.498 1.00 15.00 N ATOM 0 H ARG B 213 -9.767 7.122 -1.805 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.629 9.175 -1.815 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.009 9.866 -1.057 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.712 8.875 0.358 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.207 11.253 0.774 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -7.794 10.239 0.986 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.104 12.187 -0.240 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.069 10.829 -1.348 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.629 12.122 -1.522 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -6.219 12.654 -2.286 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.570 13.662 -3.695 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.069 13.437 -3.326 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.740 14.103 -4.281 1.00 15.00 H new ATOM 721 N TYR B 214 -8.285 6.960 0.547 1.00 15.00 N ATOM 722 CA TYR B 214 -7.698 6.109 1.564 1.00 15.00 C ATOM 723 C TYR B 214 -8.175 4.671 1.422 1.00 15.00 C ATOM 724 O TYR B 214 -9.329 4.424 1.064 1.00 15.00 O ATOM 725 CB TYR B 214 -7.991 6.690 2.948 1.00 15.00 C ATOM 726 CG TYR B 214 -7.080 7.858 3.264 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.079 9.001 2.468 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.189 7.798 4.327 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.211 10.047 2.726 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.327 8.844 4.595 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.341 9.964 3.791 1.00 15.00 C ATOM 732 OH TYR B 214 -4.471 10.998 4.045 1.00 15.00 O ATOM 0 H TYR B 214 -9.304 6.988 0.563 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.616 6.083 1.433 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.030 7.015 2.995 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.865 5.914 3.703 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.766 9.072 1.637 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.169 6.919 4.955 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.215 10.924 2.096 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.645 8.785 5.431 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.927 10.782 4.831 1.00 15.00 H new ATOM 742 N PRO B 215 -7.293 3.709 1.734 1.00 15.00 N ATOM 743 CA PRO B 215 -7.562 2.281 1.541 1.00 15.00 C ATOM 744 C PRO B 215 -8.768 1.762 2.315 1.00 15.00 C ATOM 745 O PRO B 215 -9.689 1.190 1.730 1.00 15.00 O ATOM 746 CB PRO B 215 -6.290 1.602 2.057 1.00 15.00 C ATOM 747 CG PRO B 215 -5.242 2.650 1.991 1.00 15.00 C ATOM 748 CD PRO B 215 -5.944 3.943 2.274 1.00 15.00 C ATOM 0 HA PRO B 215 -7.800 2.078 0.497 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.422 1.239 3.076 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.026 0.740 1.444 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.455 2.463 2.722 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.768 2.668 1.010 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.969 4.164 3.341 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.453 4.785 1.785 1.00 15.00 H new ATOM 756 N MET B 216 -8.758 1.943 3.625 1.00 15.00 N ATOM 757 CA MET B 216 -9.797 1.366 4.462 1.00 15.00 C ATOM 758 C MET B 216 -10.045 2.220 5.691 1.00 15.00 C ATOM 759 O MET B 216 -9.108 2.740 6.295 1.00 15.00 O ATOM 760 CB MET B 216 -9.395 -0.039 4.905 1.00 15.00 C ATOM 761 CG MET B 216 -10.500 -0.773 5.647 1.00 15.00 C ATOM 762 SD MET B 216 -11.832 -1.305 4.551 1.00 15.00 S ATOM 763 CE MET B 216 -10.943 -2.390 3.433 1.00 15.00 C ATOM 0 H MET B 216 -8.050 2.479 4.128 1.00 15.00 H new ATOM 0 HA MET B 216 -10.713 1.321 3.872 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.106 -0.620 4.029 1.00 15.00 H new ATOM 0 HB3 MET B 216 -8.517 0.027 5.547 1.00 15.00 H new ATOM 0 HG2 MET B 216 -10.079 -1.643 6.151 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.908 -0.123 6.421 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.643 -3.082 2.965 1.00 15.00 H new ATOM 0 HE2 MET B 216 -10.451 -1.795 2.663 1.00 15.00 H new ATOM 0 HE3 MET B 216 -10.194 -2.953 3.991 1.00 15.00 H new ATOM 773 N ASP B 217 -11.306 2.334 6.064 1.00 15.00 N ATOM 774 CA ASP B 217 -11.697 3.009 7.288 1.00 15.00 C ATOM 775 C ASP B 217 -12.923 2.327 7.871 1.00 15.00 C ATOM 776 O ASP B 217 -12.793 1.654 8.911 1.00 15.00 O ATOM 777 CB ASP B 217 -12.002 4.480 7.029 1.00 15.00 C ATOM 778 CG ASP B 217 -12.468 5.200 8.283 1.00 15.00 C ATOM 779 OD1 ASP B 217 -11.643 5.401 9.199 1.00 15.00 O1- ATOM 780 OD2 ASP B 217 -13.664 5.562 8.365 1.00 15.00 O ATOM 781 OXT ASP B 217 -14.008 2.441 7.266 1.00 15.00 O ATOM 0 H ASP B 217 -12.089 1.961 5.527 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.869 2.952 7.995 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -11.110 4.971 6.641 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.770 4.560 6.260 1.00 15.00 H new TER 786 ASP B 217