USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 397 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 318 HIS : +bothHN:sc= -2.49! C(o=-3.2!,f=-16!) USER MOD Set 1.2: B 211 TYR OH : rot -170:sc= -1.36! USER MOD Set 1.3: B 214 TYR OH : rot -126:sc= 0.682 USER MOD Set 2.1: A 320 ASN : amide:sc= -0.0064 K(o=-0.012,f=-0.81) USER MOD Set 2.2: A 322 THR OG1 : rot -160:sc=-0.00516 USER MOD Single : A 307 ASN : amide:sc= -0.412 K(o=-0.41,f=-6.3!) USER MOD Single : A 308 THR OG1 : rot -74:sc= 0.836 USER MOD Single : A 310 THR OG1 : rot -150:sc= 0.35 USER MOD Single : A 314 TYR OH : rot 144:sc= -0.108 USER MOD Single : A 319 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.0091) USER MOD Single : A 323 THR OG1 : rot -160:sc= -1.88! USER MOD Single : A 324 GLN :FLIP amide:sc= -0.0452 F(o=-1.4!,f=-0.045) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot 27:sc= -0.416 USER MOD Single : A 333 ASN :FLIP amide:sc= -1.16 F(o=-3.1!,f=-1.2) USER MOD Single : B 206 SER OG : rot -78:sc= 1.42 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -161:sc= -0.133 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 297 4.576 2.241 15.072 1.00 15.00 N ATOM 2 CA GLY A 297 4.528 2.039 13.605 1.00 15.00 C ATOM 3 C GLY A 297 5.084 3.234 12.855 1.00 15.00 C ATOM 4 O GLY A 297 4.356 4.195 12.594 1.00 15.00 O ATOM 0 HA2 GLY A 297 5.097 1.147 13.342 1.00 15.00 H new ATOM 0 HA3 GLY A 297 3.498 1.862 13.296 1.00 15.00 H new ATOM 10 N PRO A 298 6.376 3.208 12.503 1.00 15.00 N ATOM 11 CA PRO A 298 7.035 4.313 11.799 1.00 15.00 C ATOM 12 C PRO A 298 6.558 4.436 10.345 1.00 15.00 C ATOM 13 O PRO A 298 6.622 3.465 9.589 1.00 15.00 O ATOM 14 CB PRO A 298 8.524 3.935 11.830 1.00 15.00 C ATOM 15 CG PRO A 298 8.636 2.789 12.781 1.00 15.00 C ATOM 16 CD PRO A 298 7.305 2.102 12.760 1.00 15.00 C ATOM 0 HA PRO A 298 6.817 5.273 12.266 1.00 15.00 H new ATOM 0 HB2 PRO A 298 8.876 3.655 10.837 1.00 15.00 H new ATOM 0 HB3 PRO A 298 9.134 4.776 12.159 1.00 15.00 H new ATOM 0 HG2 PRO A 298 9.431 2.108 12.479 1.00 15.00 H new ATOM 0 HG3 PRO A 298 8.879 3.138 13.785 1.00 15.00 H new ATOM 0 HD2 PRO A 298 7.254 1.341 11.981 1.00 15.00 H new ATOM 0 HD3 PRO A 298 7.091 1.605 13.706 1.00 15.00 H new ATOM 24 N LEU A 299 6.073 5.612 9.945 1.00 15.00 N ATOM 25 CA LEU A 299 5.664 5.823 8.566 1.00 15.00 C ATOM 26 C LEU A 299 6.609 6.804 7.884 1.00 15.00 C ATOM 27 O LEU A 299 6.684 7.972 8.269 1.00 15.00 O ATOM 28 CB LEU A 299 4.226 6.350 8.495 1.00 15.00 C ATOM 29 CG LEU A 299 3.653 6.481 7.080 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.559 5.116 6.410 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.294 7.165 7.118 1.00 15.00 C ATOM 0 H LEU A 299 5.956 6.422 10.553 1.00 15.00 H new ATOM 0 HA LEU A 299 5.705 4.864 8.049 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.583 5.685 9.071 1.00 15.00 H new ATOM 0 HB3 LEU A 299 4.189 7.327 8.978 1.00 15.00 H new ATOM 0 HG LEU A 299 4.328 7.100 6.489 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.150 5.231 5.406 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.552 4.672 6.348 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.907 4.467 6.995 1.00 15.00 H new ATOM 0 HD21 LEU A 299 1.901 7.250 6.105 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.607 6.576 7.725 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.399 8.160 7.551 1.00 15.00 H new ATOM 43 N PRO A 300 7.358 6.339 6.874 1.00 15.00 N ATOM 44 CA PRO A 300 8.281 7.192 6.117 1.00 15.00 C ATOM 45 C PRO A 300 7.526 8.191 5.239 1.00 15.00 C ATOM 46 O PRO A 300 6.536 7.831 4.606 1.00 15.00 O ATOM 47 CB PRO A 300 9.067 6.196 5.248 1.00 15.00 C ATOM 48 CG PRO A 300 8.733 4.838 5.779 1.00 15.00 C ATOM 49 CD PRO A 300 7.365 4.957 6.375 1.00 15.00 C ATOM 0 HA PRO A 300 8.918 7.792 6.766 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.785 6.286 4.199 1.00 15.00 H new ATOM 0 HB3 PRO A 300 10.139 6.386 5.308 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.749 4.093 4.984 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.459 4.522 6.528 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.583 4.788 5.635 1.00 15.00 H new ATOM 0 HD3 PRO A 300 7.207 4.235 7.176 1.00 15.00 H new ATOM 57 N PRO A 301 7.993 9.452 5.173 1.00 15.00 N ATOM 58 CA PRO A 301 7.300 10.530 4.440 1.00 15.00 C ATOM 59 C PRO A 301 7.186 10.274 2.932 1.00 15.00 C ATOM 60 O PRO A 301 6.347 10.870 2.253 1.00 15.00 O ATOM 61 CB PRO A 301 8.165 11.768 4.702 1.00 15.00 C ATOM 62 CG PRO A 301 8.999 11.420 5.887 1.00 15.00 C ATOM 63 CD PRO A 301 9.223 9.938 5.815 1.00 15.00 C ATOM 0 HA PRO A 301 6.269 10.626 4.779 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.787 12.003 3.838 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.548 12.645 4.899 1.00 15.00 H new ATOM 0 HG2 PRO A 301 9.946 11.959 5.869 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.494 11.694 6.813 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.109 9.691 5.230 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.362 9.502 6.804 1.00 15.00 H new ATOM 71 N GLY A 302 8.054 9.421 2.405 1.00 15.00 N ATOM 72 CA GLY A 302 7.985 9.057 1.001 1.00 15.00 C ATOM 73 C GLY A 302 6.987 7.943 0.760 1.00 15.00 C ATOM 74 O GLY A 302 6.590 7.674 -0.379 1.00 15.00 O ATOM 0 H GLY A 302 8.808 8.972 2.926 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.705 9.930 0.412 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.971 8.743 0.657 1.00 15.00 H new ATOM 78 N TRP A 303 6.594 7.296 1.843 1.00 15.00 N ATOM 79 CA TRP A 303 5.701 6.153 1.803 1.00 15.00 C ATOM 80 C TRP A 303 4.270 6.562 2.081 1.00 15.00 C ATOM 81 O TRP A 303 4.028 7.514 2.823 1.00 15.00 O ATOM 82 CB TRP A 303 6.126 5.129 2.836 1.00 15.00 C ATOM 83 CG TRP A 303 7.166 4.197 2.338 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.510 4.416 2.266 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.941 2.886 1.837 1.00 15.00 C ATOM 86 NE1 TRP A 303 9.134 3.307 1.769 1.00 15.00 N ATOM 87 CE2 TRP A 303 8.187 2.356 1.498 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.804 2.100 1.649 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.325 1.086 0.987 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.952 0.834 1.140 1.00 15.00 C ATOM 91 CH2 TRP A 303 7.204 0.335 0.815 1.00 15.00 C ATOM 0 H TRP A 303 6.890 7.553 2.785 1.00 15.00 H new ATOM 0 HA TRP A 303 5.756 5.725 0.802 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.503 5.647 3.718 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.254 4.556 3.151 1.00 15.00 H new ATOM 0 HD1 TRP A 303 9.007 5.329 2.558 1.00 15.00 H new ATOM 0 HE1 TRP A 303 10.138 3.204 1.624 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.825 2.481 1.899 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.298 0.695 0.729 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 5.079 0.216 0.990 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.291 -0.666 0.419 1.00 15.00 H new ATOM 102 N GLU A 304 3.324 5.833 1.508 1.00 15.00 N ATOM 103 CA GLU A 304 1.906 6.146 1.726 1.00 15.00 C ATOM 104 C GLU A 304 1.121 4.882 2.074 1.00 15.00 C ATOM 105 O GLU A 304 1.011 3.973 1.268 1.00 15.00 O ATOM 106 CB GLU A 304 1.326 6.831 0.481 1.00 15.00 C ATOM 107 CG GLU A 304 1.877 8.227 0.245 1.00 15.00 C ATOM 108 CD GLU A 304 1.120 9.308 0.993 1.00 15.00 C ATOM 109 OE1 GLU A 304 1.226 9.375 2.234 1.00 15.00 O ATOM 110 OE2 GLU A 304 0.432 10.120 0.328 1.00 15.00 O1- ATOM 0 H GLU A 304 3.499 5.034 0.899 1.00 15.00 H new ATOM 0 HA GLU A 304 1.821 6.831 2.570 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.534 6.214 -0.393 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.242 6.889 0.580 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.924 8.252 0.547 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.848 8.446 -0.822 1.00 15.00 H new ATOM 117 N ILE A 305 0.575 4.823 3.280 1.00 15.00 N ATOM 118 CA ILE A 305 -0.095 3.612 3.748 1.00 15.00 C ATOM 119 C ILE A 305 -1.620 3.709 3.607 1.00 15.00 C ATOM 120 O ILE A 305 -2.242 4.641 4.116 1.00 15.00 O ATOM 121 CB ILE A 305 0.271 3.298 5.221 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.487 2.061 5.713 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.014 4.495 6.120 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.174 1.683 7.145 1.00 15.00 C ATOM 0 H ILE A 305 0.581 5.592 3.950 1.00 15.00 H new ATOM 0 HA ILE A 305 0.258 2.799 3.113 1.00 15.00 H new ATOM 0 HB ILE A 305 1.340 3.088 5.267 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.558 2.242 5.620 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.249 1.218 5.064 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.251 4.249 7.148 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.576 5.349 5.787 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.074 4.745 6.068 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.748 0.799 7.422 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.891 1.469 7.241 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.439 2.509 7.805 1.00 15.00 H new ATOM 136 N ARG A 306 -2.219 2.745 2.903 1.00 15.00 N ATOM 137 CA ARG A 306 -3.671 2.671 2.789 1.00 15.00 C ATOM 138 C ARG A 306 -4.140 1.220 2.886 1.00 15.00 C ATOM 139 O ARG A 306 -3.492 0.312 2.370 1.00 15.00 O ATOM 140 CB ARG A 306 -4.154 3.304 1.475 1.00 15.00 C ATOM 141 CG ARG A 306 -3.770 4.769 1.337 1.00 15.00 C ATOM 142 CD ARG A 306 -4.771 5.550 0.511 1.00 15.00 C ATOM 143 NE ARG A 306 -6.148 5.311 0.931 1.00 15.00 N ATOM 144 CZ ARG A 306 -6.794 6.036 1.839 1.00 15.00 C ATOM 145 NH1 ARG A 306 -6.181 7.030 2.469 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.058 5.761 2.122 1.00 15.00 N ATOM 0 H ARG A 306 -1.719 2.008 2.406 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.104 3.235 3.615 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -3.738 2.746 0.636 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.238 3.212 1.412 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -3.692 5.217 2.328 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -2.785 4.842 0.875 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -4.550 6.615 0.589 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -4.662 5.278 -0.539 1.00 15.00 H new ATOM 0 HE ARG A 306 -6.649 4.535 0.498 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -5.206 7.243 2.258 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -6.685 7.581 3.164 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.533 4.995 1.644 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -8.557 6.315 2.818 1.00 15.00 H new ATOM 160 N ASN A 307 -5.266 1.013 3.553 1.00 15.00 N ATOM 161 CA ASN A 307 -5.838 -0.321 3.731 1.00 15.00 C ATOM 162 C ASN A 307 -7.141 -0.427 2.934 1.00 15.00 C ATOM 163 O ASN A 307 -7.903 0.538 2.864 1.00 15.00 O ATOM 164 CB ASN A 307 -6.112 -0.560 5.227 1.00 15.00 C ATOM 165 CG ASN A 307 -6.385 -2.017 5.579 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.839 -2.805 4.755 1.00 15.00 O ATOM 167 ND2 ASN A 307 -6.121 -2.377 6.826 1.00 15.00 N ATOM 0 H ASN A 307 -5.810 1.759 3.986 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.139 -1.075 3.370 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.255 -0.211 5.804 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.967 0.043 5.531 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -6.295 -3.336 7.128 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.744 -1.695 7.485 1.00 15.00 H new ATOM 174 N THR A 308 -7.396 -1.587 2.334 1.00 15.00 N ATOM 175 CA THR A 308 -8.644 -1.808 1.611 1.00 15.00 C ATOM 176 C THR A 308 -9.617 -2.607 2.468 1.00 15.00 C ATOM 177 O THR A 308 -9.204 -3.479 3.239 1.00 15.00 O ATOM 178 CB THR A 308 -8.426 -2.543 0.271 1.00 15.00 C ATOM 179 OG1 THR A 308 -7.176 -3.249 0.274 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.478 -1.572 -0.903 1.00 15.00 C ATOM 0 H THR A 308 -6.759 -2.384 2.334 1.00 15.00 H new ATOM 0 HA THR A 308 -9.058 -0.824 1.391 1.00 15.00 H new ATOM 0 HB THR A 308 -9.234 -3.265 0.155 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.439 -2.610 0.181 1.00 15.00 H new ATOM 0 HG21 THR A 308 -8.321 -2.118 -1.834 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.452 -1.084 -0.928 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.698 -0.820 -0.788 1.00 15.00 H new ATOM 188 N ALA A 309 -10.906 -2.312 2.319 1.00 15.00 N ATOM 189 CA ALA A 309 -11.958 -2.954 3.103 1.00 15.00 C ATOM 190 C ALA A 309 -12.005 -4.467 2.888 1.00 15.00 C ATOM 191 O ALA A 309 -12.647 -5.190 3.653 1.00 15.00 O ATOM 192 CB ALA A 309 -13.306 -2.333 2.772 1.00 15.00 C ATOM 0 H ALA A 309 -11.251 -1.622 1.652 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.726 -2.787 4.155 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -14.084 -2.818 3.361 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.284 -1.269 3.006 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.518 -2.467 1.711 1.00 15.00 H new ATOM 198 N THR A 310 -11.339 -4.946 1.845 1.00 15.00 N ATOM 199 CA THR A 310 -11.213 -6.380 1.614 1.00 15.00 C ATOM 200 C THR A 310 -10.320 -7.033 2.671 1.00 15.00 C ATOM 201 O THR A 310 -10.315 -8.255 2.827 1.00 15.00 O ATOM 202 CB THR A 310 -10.658 -6.677 0.208 1.00 15.00 C ATOM 203 OG1 THR A 310 -9.570 -5.790 -0.097 1.00 15.00 O ATOM 204 CG2 THR A 310 -11.749 -6.539 -0.843 1.00 15.00 C ATOM 0 H THR A 310 -10.878 -4.363 1.146 1.00 15.00 H new ATOM 0 HA THR A 310 -12.214 -6.805 1.688 1.00 15.00 H new ATOM 0 HB THR A 310 -10.293 -7.704 0.197 1.00 15.00 H new ATOM 0 HG1 THR A 310 -9.536 -5.634 -1.064 1.00 15.00 H new ATOM 0 HG21 THR A 310 -11.334 -6.753 -1.828 1.00 15.00 H new ATOM 0 HG22 THR A 310 -12.553 -7.242 -0.627 1.00 15.00 H new ATOM 0 HG23 THR A 310 -12.142 -5.522 -0.828 1.00 15.00 H new ATOM 212 N GLY A 311 -9.577 -6.209 3.402 1.00 15.00 N ATOM 213 CA GLY A 311 -8.699 -6.711 4.437 1.00 15.00 C ATOM 214 C GLY A 311 -7.283 -6.901 3.942 1.00 15.00 C ATOM 215 O GLY A 311 -6.634 -7.897 4.258 1.00 15.00 O ATOM 0 H GLY A 311 -9.569 -5.195 3.293 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.698 -6.018 5.278 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -9.083 -7.661 4.808 1.00 15.00 H new ATOM 219 N ARG A 312 -6.799 -5.943 3.163 1.00 15.00 N ATOM 220 CA ARG A 312 -5.459 -6.029 2.588 1.00 15.00 C ATOM 221 C ARG A 312 -4.771 -4.668 2.662 1.00 15.00 C ATOM 222 O ARG A 312 -5.379 -3.646 2.336 1.00 15.00 O ATOM 223 CB ARG A 312 -5.522 -6.480 1.124 1.00 15.00 C ATOM 224 CG ARG A 312 -6.300 -7.758 0.873 1.00 15.00 C ATOM 225 CD ARG A 312 -6.328 -8.088 -0.612 1.00 15.00 C ATOM 226 NE ARG A 312 -7.162 -7.153 -1.375 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.144 -7.055 -2.708 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.384 -7.874 -3.429 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -7.906 -6.157 -3.324 1.00 15.00 N ATOM 0 H ARG A 312 -7.312 -5.097 2.914 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.891 -6.762 3.161 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.969 -5.680 0.533 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.504 -6.616 0.759 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.845 -8.581 1.425 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.319 -7.649 1.246 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.312 -8.069 -1.005 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.704 -9.102 -0.749 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.793 -6.541 -0.858 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.812 -8.580 -2.965 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.373 -7.796 -4.446 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.508 -5.539 -2.779 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.889 -6.086 -4.341 1.00 15.00 H new ATOM 243 N VAL A 313 -3.502 -4.653 3.060 1.00 15.00 N ATOM 244 CA VAL A 313 -2.762 -3.400 3.155 1.00 15.00 C ATOM 245 C VAL A 313 -1.767 -3.270 1.995 1.00 15.00 C ATOM 246 O VAL A 313 -1.044 -4.202 1.673 1.00 15.00 O ATOM 247 CB VAL A 313 -2.009 -3.257 4.493 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.731 -1.791 4.785 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.785 -3.894 5.635 1.00 15.00 C ATOM 0 H VAL A 313 -2.970 -5.484 3.319 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.501 -2.600 3.101 1.00 15.00 H new ATOM 0 HB VAL A 313 -1.059 -3.784 4.405 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.199 -1.703 5.732 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.121 -1.370 3.986 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.674 -1.247 4.847 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.227 -3.776 6.564 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.756 -3.408 5.731 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.929 -4.955 5.430 1.00 15.00 H new ATOM 259 N TYR A 314 -1.729 -2.087 1.409 1.00 15.00 N ATOM 260 CA TYR A 314 -1.003 -1.787 0.206 1.00 15.00 C ATOM 261 C TYR A 314 -0.446 -0.377 0.351 1.00 15.00 C ATOM 262 O TYR A 314 -1.193 0.595 0.478 1.00 15.00 O ATOM 263 CB TYR A 314 -1.927 -1.884 -1.026 1.00 15.00 C ATOM 264 CG TYR A 314 -3.180 -1.036 -0.910 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.245 -1.459 -0.132 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.284 0.197 -1.547 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.370 -0.682 0.016 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.414 0.979 -1.405 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.451 0.536 -0.618 1.00 15.00 C ATOM 270 OH TYR A 314 -6.577 1.311 -0.463 1.00 15.00 O ATOM 0 H TYR A 314 -2.228 -1.279 1.782 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.195 -2.503 0.059 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.371 -1.578 -1.912 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.215 -2.925 -1.174 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.191 -2.415 0.367 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.469 0.548 -2.162 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.189 -1.028 0.629 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.482 1.932 -1.909 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.322 2.257 -0.439 1.00 15.00 H new ATOM 280 N PHE A 315 0.854 -0.266 0.412 1.00 15.00 N ATOM 281 CA PHE A 315 1.478 1.031 0.552 1.00 15.00 C ATOM 282 C PHE A 315 1.831 1.566 -0.812 1.00 15.00 C ATOM 283 O PHE A 315 2.621 0.974 -1.520 1.00 15.00 O ATOM 284 CB PHE A 315 2.752 0.950 1.388 1.00 15.00 C ATOM 285 CG PHE A 315 2.578 0.493 2.808 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.802 -0.608 3.114 1.00 15.00 C ATOM 287 CD2 PHE A 315 3.231 1.153 3.835 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.674 -1.041 4.413 1.00 15.00 C ATOM 289 CE2 PHE A 315 3.116 0.717 5.137 1.00 15.00 C ATOM 290 CZ PHE A 315 2.336 -0.383 5.423 1.00 15.00 C ATOM 0 H PHE A 315 1.503 -1.052 0.368 1.00 15.00 H new ATOM 0 HA PHE A 315 0.771 1.691 1.055 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.447 0.272 0.891 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.220 1.935 1.398 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.289 -1.135 2.323 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.837 2.019 3.613 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.055 -1.896 4.640 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.635 1.235 5.930 1.00 15.00 H new ATOM 0 HZ PHE A 315 2.245 -0.729 6.442 1.00 15.00 H new ATOM 300 N VAL A 316 1.280 2.687 -1.183 1.00 15.00 N ATOM 301 CA VAL A 316 1.622 3.257 -2.451 1.00 15.00 C ATOM 302 C VAL A 316 2.828 4.183 -2.265 1.00 15.00 C ATOM 303 O VAL A 316 2.792 5.111 -1.457 1.00 15.00 O ATOM 304 CB VAL A 316 0.436 4.008 -3.102 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.536 3.023 -3.727 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.302 4.884 -2.106 1.00 15.00 C ATOM 0 H VAL A 316 0.603 3.216 -0.634 1.00 15.00 H new ATOM 0 HA VAL A 316 1.877 2.449 -3.136 1.00 15.00 H new ATOM 0 HB VAL A 316 0.854 4.654 -3.874 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.364 3.567 -4.181 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.022 2.441 -4.492 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -0.920 2.353 -2.958 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.126 5.391 -2.608 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.694 4.266 -1.299 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.384 5.625 -1.695 1.00 15.00 H new ATOM 316 N ASP A 317 3.921 3.905 -2.970 1.00 15.00 N ATOM 317 CA ASP A 317 5.105 4.714 -2.842 1.00 15.00 C ATOM 318 C ASP A 317 4.995 5.822 -3.860 1.00 15.00 C ATOM 319 O ASP A 317 4.811 5.545 -5.051 1.00 15.00 O ATOM 320 CB ASP A 317 6.388 3.924 -3.146 1.00 15.00 C ATOM 321 CG ASP A 317 6.309 2.451 -2.829 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.805 1.694 -3.681 1.00 15.00 O1- ATOM 323 OD2 ASP A 317 6.803 2.052 -1.758 1.00 15.00 O ATOM 0 H ASP A 317 4.001 3.130 -3.628 1.00 15.00 H new ATOM 0 HA ASP A 317 5.170 5.078 -1.817 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.630 4.042 -4.202 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.211 4.361 -2.579 1.00 15.00 H new ATOM 328 N HIS A 318 5.080 7.064 -3.407 1.00 15.00 N ATOM 329 CA HIS A 318 5.027 8.207 -4.308 1.00 15.00 C ATOM 330 C HIS A 318 6.331 8.320 -5.087 1.00 15.00 C ATOM 331 O HIS A 318 6.421 9.047 -6.073 1.00 15.00 O ATOM 332 CB HIS A 318 4.736 9.509 -3.550 1.00 15.00 C ATOM 333 CG HIS A 318 3.310 9.657 -3.086 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.277 8.843 -3.506 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.754 10.537 -2.221 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.158 9.219 -2.919 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.414 10.244 -2.129 1.00 15.00 N ATOM 0 H HIS A 318 5.186 7.307 -2.422 1.00 15.00 H new ATOM 0 HA HIS A 318 4.208 8.046 -5.009 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.394 9.565 -2.683 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.985 10.353 -4.194 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.366 8.071 -4.167 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.270 11.328 -1.697 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.190 8.762 -3.062 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.734 10.735 -1.549 1.00 15.00 H new ATOM 346 N ASN A 319 7.348 7.609 -4.618 1.00 15.00 N ATOM 347 CA ASN A 319 8.651 7.608 -5.272 1.00 15.00 C ATOM 348 C ASN A 319 8.651 6.660 -6.464 1.00 15.00 C ATOM 349 O ASN A 319 9.128 7.000 -7.544 1.00 15.00 O ATOM 350 CB ASN A 319 9.751 7.180 -4.294 1.00 15.00 C ATOM 351 CG ASN A 319 9.633 7.849 -2.939 1.00 15.00 C ATOM 352 OD1 ASN A 319 10.097 8.970 -2.740 1.00 15.00 O ATOM 353 ND2 ASN A 319 9.040 7.148 -1.986 1.00 15.00 N ATOM 0 H ASN A 319 7.296 7.024 -3.784 1.00 15.00 H new ATOM 0 HA ASN A 319 8.850 8.624 -5.615 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.713 6.099 -4.163 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.724 7.415 -4.725 1.00 15.00 H new ATOM 0 HD21 ASN A 319 8.955 7.535 -1.046 1.00 15.00 H new ATOM 0 HD22 ASN A 319 8.668 6.221 -2.191 1.00 15.00 H new ATOM 360 N ASN A 320 8.119 5.462 -6.251 1.00 15.00 N ATOM 361 CA ASN A 320 8.139 4.412 -7.267 1.00 15.00 C ATOM 362 C ASN A 320 6.828 4.390 -8.058 1.00 15.00 C ATOM 363 O ASN A 320 6.737 3.769 -9.117 1.00 15.00 O ATOM 364 CB ASN A 320 8.393 3.054 -6.598 1.00 15.00 C ATOM 365 CG ASN A 320 8.665 1.937 -7.588 1.00 15.00 C ATOM 366 OD1 ASN A 320 9.185 2.166 -8.680 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.331 0.712 -7.203 1.00 15.00 N ATOM 0 H ASN A 320 7.665 5.191 -5.379 1.00 15.00 H new ATOM 0 HA ASN A 320 8.945 4.619 -7.971 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.242 3.144 -5.921 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.528 2.789 -5.991 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.503 -0.081 -7.820 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.902 0.564 -6.290 1.00 15.00 H new ATOM 374 N ARG A 321 5.813 5.067 -7.517 1.00 15.00 N ATOM 375 CA ARG A 321 4.470 5.098 -8.103 1.00 15.00 C ATOM 376 C ARG A 321 3.870 3.700 -8.147 1.00 15.00 C ATOM 377 O ARG A 321 3.198 3.328 -9.110 1.00 15.00 O ATOM 378 CB ARG A 321 4.482 5.705 -9.509 1.00 15.00 C ATOM 379 CG ARG A 321 4.964 7.143 -9.551 1.00 15.00 C ATOM 380 CD ARG A 321 4.748 7.759 -10.924 1.00 15.00 C ATOM 381 NE ARG A 321 5.418 7.006 -11.983 1.00 15.00 N ATOM 382 CZ ARG A 321 5.697 7.508 -13.186 1.00 15.00 C ATOM 383 NH1 ARG A 321 5.312 8.740 -13.501 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 6.339 6.771 -14.081 1.00 15.00 N ATOM 0 H ARG A 321 5.899 5.611 -6.658 1.00 15.00 H new ATOM 0 HA ARG A 321 3.853 5.731 -7.466 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.121 5.099 -10.151 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.475 5.657 -9.924 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.434 7.728 -8.800 1.00 15.00 H new ATOM 0 HG3 ARG A 321 6.023 7.181 -9.296 1.00 15.00 H new ATOM 0 HD2 ARG A 321 3.680 7.805 -11.135 1.00 15.00 H new ATOM 0 HD3 ARG A 321 5.117 8.785 -10.922 1.00 15.00 H new ATOM 0 HE ARG A 321 5.687 6.041 -11.790 1.00 15.00 H new ATOM 0 HH11 ARG A 321 4.802 9.304 -12.822 1.00 15.00 H new ATOM 0 HH12 ARG A 321 5.527 9.122 -14.422 1.00 15.00 H new ATOM 0 HH21 ARG A 321 6.620 5.818 -13.850 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.552 7.157 -15.001 1.00 15.00 H new ATOM 398 N THR A 322 4.069 2.950 -7.077 1.00 15.00 N ATOM 399 CA THR A 322 3.626 1.558 -7.028 1.00 15.00 C ATOM 400 C THR A 322 2.830 1.286 -5.753 1.00 15.00 C ATOM 401 O THR A 322 3.036 1.952 -4.751 1.00 15.00 O ATOM 402 CB THR A 322 4.833 0.598 -7.119 1.00 15.00 C ATOM 403 OG1 THR A 322 5.618 0.918 -8.279 1.00 15.00 O ATOM 404 CG2 THR A 322 4.390 -0.857 -7.209 1.00 15.00 C ATOM 0 H THR A 322 4.533 3.276 -6.229 1.00 15.00 H new ATOM 0 HA THR A 322 2.976 1.381 -7.885 1.00 15.00 H new ATOM 0 HB THR A 322 5.424 0.723 -6.211 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.176 0.149 -8.519 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.267 -1.501 -7.272 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.811 -1.117 -6.322 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.774 -0.996 -8.098 1.00 15.00 H new ATOM 412 N THR A 323 1.886 0.353 -5.807 1.00 15.00 N ATOM 413 CA THR A 323 1.154 -0.043 -4.614 1.00 15.00 C ATOM 414 C THR A 323 1.745 -1.332 -4.040 1.00 15.00 C ATOM 415 O THR A 323 2.122 -2.239 -4.787 1.00 15.00 O ATOM 416 CB THR A 323 -0.356 -0.207 -4.884 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.052 -0.435 -3.657 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.636 -1.353 -5.837 1.00 15.00 C ATOM 0 H THR A 323 1.613 -0.139 -6.658 1.00 15.00 H new ATOM 0 HA THR A 323 1.260 0.757 -3.881 1.00 15.00 H new ATOM 0 HB THR A 323 -0.706 0.716 -5.346 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.922 -0.845 -3.846 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.710 -1.435 -6.001 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.137 -1.166 -6.788 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.262 -2.283 -5.408 1.00 15.00 H new ATOM 426 N GLN A 324 1.829 -1.408 -2.720 1.00 15.00 N ATOM 427 CA GLN A 324 2.586 -2.458 -2.067 1.00 15.00 C ATOM 428 C GLN A 324 1.739 -3.297 -1.117 1.00 15.00 C ATOM 429 O GLN A 324 1.577 -2.944 0.045 1.00 15.00 O ATOM 430 CB GLN A 324 3.761 -1.852 -1.283 1.00 15.00 C ATOM 431 CG GLN A 324 4.763 -1.099 -2.145 1.00 15.00 C ATOM 432 CD GLN A 324 5.511 -2.015 -3.092 1.00 15.00 C ATOM 433 OE1 GLN A 324 5.762 -3.234 -2.645 1.00 15.00 O flip ATOM 434 NE2 GLN A 324 5.877 -1.634 -4.204 1.00 15.00 N flip ATOM 0 H GLN A 324 1.380 -0.752 -2.081 1.00 15.00 H new ATOM 0 HA GLN A 324 2.949 -3.115 -2.857 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.367 -1.173 -0.527 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.281 -2.651 -0.755 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.241 -0.334 -2.720 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.477 -0.584 -1.502 1.00 15.00 H new ATOM 0 HE21 GLN A 324 5.664 -0.686 -4.514 1.00 15.00 H new ATOM 0 HE22 GLN A 324 6.393 -2.267 -4.816 1.00 15.00 H new ATOM 443 N PHE A 325 1.190 -4.401 -1.623 1.00 15.00 N ATOM 444 CA PHE A 325 0.683 -5.478 -0.761 1.00 15.00 C ATOM 445 C PHE A 325 1.858 -6.141 -0.095 1.00 15.00 C ATOM 446 O PHE A 325 1.735 -7.003 0.772 1.00 15.00 O ATOM 447 CB PHE A 325 -0.141 -6.500 -1.530 1.00 15.00 C ATOM 448 CG PHE A 325 -1.580 -6.129 -1.577 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.144 -5.411 -0.537 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.364 -6.473 -2.658 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.469 -5.037 -0.591 1.00 15.00 C ATOM 452 CE2 PHE A 325 -3.691 -6.109 -2.710 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.243 -5.387 -1.677 1.00 15.00 C ATOM 0 H PHE A 325 1.083 -4.577 -2.622 1.00 15.00 H new ATOM 0 HA PHE A 325 0.014 -5.044 -0.018 1.00 15.00 H new ATOM 0 HB2 PHE A 325 0.245 -6.587 -2.546 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.033 -7.479 -1.063 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.544 -5.143 0.320 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -1.932 -7.034 -3.473 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -3.902 -4.469 0.219 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.297 -6.389 -3.559 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.282 -5.095 -1.717 1.00 15.00 H new ATOM 463 N THR A 326 2.999 -5.743 -0.586 1.00 15.00 N ATOM 464 CA THR A 326 4.266 -6.196 -0.067 1.00 15.00 C ATOM 465 C THR A 326 4.704 -5.113 0.900 1.00 15.00 C ATOM 466 O THR A 326 5.359 -4.142 0.514 1.00 15.00 O ATOM 467 CB THR A 326 5.318 -6.369 -1.181 1.00 15.00 C ATOM 468 OG1 THR A 326 4.669 -6.531 -2.452 1.00 15.00 O ATOM 469 CG2 THR A 326 6.191 -7.583 -0.911 1.00 15.00 C ATOM 0 H THR A 326 3.080 -5.089 -1.365 1.00 15.00 H new ATOM 0 HA THR A 326 4.167 -7.173 0.407 1.00 15.00 H new ATOM 0 HB THR A 326 5.943 -5.476 -1.198 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.345 -6.638 -3.153 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.926 -7.687 -1.709 1.00 15.00 H new ATOM 0 HG22 THR A 326 6.705 -7.457 0.042 1.00 15.00 H new ATOM 0 HG23 THR A 326 5.569 -8.477 -0.872 1.00 15.00 H new ATOM 477 N ASP A 327 4.298 -5.267 2.143 1.00 15.00 N ATOM 478 CA ASP A 327 4.210 -4.158 3.058 1.00 15.00 C ATOM 479 C ASP A 327 4.940 -4.375 4.331 1.00 15.00 C ATOM 480 O ASP A 327 5.130 -5.495 4.809 1.00 15.00 O ATOM 481 CB ASP A 327 2.779 -3.772 3.373 1.00 15.00 C ATOM 482 CG ASP A 327 1.866 -4.932 3.716 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.365 -6.061 3.878 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.657 -4.696 3.886 1.00 15.00 O1- ATOM 0 H ASP A 327 4.021 -6.164 2.543 1.00 15.00 H new ATOM 0 HA ASP A 327 4.694 -3.340 2.525 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.782 -3.072 4.208 1.00 15.00 H new ATOM 0 HB3 ASP A 327 2.364 -3.243 2.515 1.00 15.00 H new ATOM 489 N PRO A 328 5.375 -3.258 4.880 1.00 15.00 N ATOM 490 CA PRO A 328 5.976 -3.207 6.190 1.00 15.00 C ATOM 491 C PRO A 328 4.948 -3.704 7.222 1.00 15.00 C ATOM 492 O PRO A 328 5.276 -3.975 8.376 1.00 15.00 O ATOM 493 CB PRO A 328 6.352 -1.719 6.349 1.00 15.00 C ATOM 494 CG PRO A 328 6.266 -1.148 4.958 1.00 15.00 C ATOM 495 CD PRO A 328 5.200 -1.922 4.295 1.00 15.00 C ATOM 0 HA PRO A 328 6.853 -3.839 6.331 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.669 -1.209 7.028 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.355 -1.607 6.761 1.00 15.00 H new ATOM 0 HG2 PRO A 328 6.026 -0.085 4.981 1.00 15.00 H new ATOM 0 HG3 PRO A 328 7.214 -1.249 4.430 1.00 15.00 H new ATOM 0 HD2 PRO A 328 4.211 -1.513 4.503 1.00 15.00 H new ATOM 0 HD3 PRO A 328 5.319 -1.933 3.212 1.00 15.00 H new ATOM 503 N ARG A 329 3.676 -3.776 6.774 1.00 15.00 N ATOM 504 CA ARG A 329 2.598 -4.418 7.526 1.00 15.00 C ATOM 505 C ARG A 329 2.819 -5.927 7.635 1.00 15.00 C ATOM 506 O ARG A 329 2.678 -6.496 8.715 1.00 15.00 O ATOM 507 CB ARG A 329 1.213 -4.141 6.893 1.00 15.00 C ATOM 508 CG ARG A 329 0.698 -2.746 7.197 1.00 15.00 C ATOM 509 CD ARG A 329 0.526 -2.543 8.695 1.00 15.00 C ATOM 510 NE ARG A 329 0.178 -1.164 9.035 1.00 15.00 N ATOM 511 CZ ARG A 329 0.112 -0.705 10.288 1.00 15.00 C ATOM 512 NH1 ARG A 329 0.339 -1.518 11.312 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -0.185 0.569 10.520 1.00 15.00 N ATOM 0 H ARG A 329 3.377 -3.388 5.879 1.00 15.00 H new ATOM 0 HA ARG A 329 2.614 -3.985 8.526 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.279 -4.272 5.813 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.497 -4.876 7.260 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.393 -2.004 6.803 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.256 -2.589 6.693 1.00 15.00 H new ATOM 0 HD2 ARG A 329 -0.252 -3.212 9.062 1.00 15.00 H new ATOM 0 HD3 ARG A 329 1.450 -2.818 9.204 1.00 15.00 H new ATOM 0 HE ARG A 329 -0.026 -0.517 8.273 1.00 15.00 H new ATOM 0 HH11 ARG A 329 0.565 -2.498 11.144 1.00 15.00 H new ATOM 0 HH12 ARG A 329 0.287 -1.162 12.267 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -0.364 1.201 9.740 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -0.234 0.915 11.478 1.00 15.00 H new ATOM 527 N LEU A 330 3.158 -6.569 6.521 1.00 15.00 N ATOM 528 CA LEU A 330 3.379 -8.014 6.493 1.00 15.00 C ATOM 529 C LEU A 330 4.506 -8.395 7.445 1.00 15.00 C ATOM 530 O LEU A 330 4.400 -9.371 8.189 1.00 15.00 O ATOM 531 CB LEU A 330 3.699 -8.478 5.060 1.00 15.00 C ATOM 532 CG LEU A 330 3.512 -9.975 4.763 1.00 15.00 C ATOM 533 CD1 LEU A 330 3.459 -10.206 3.261 1.00 15.00 C ATOM 534 CD2 LEU A 330 4.631 -10.810 5.372 1.00 15.00 C ATOM 0 H LEU A 330 3.287 -6.109 5.620 1.00 15.00 H new ATOM 0 HA LEU A 330 2.468 -8.514 6.821 1.00 15.00 H new ATOM 0 HB2 LEU A 330 3.071 -7.913 4.371 1.00 15.00 H new ATOM 0 HB3 LEU A 330 4.733 -8.213 4.839 1.00 15.00 H new ATOM 0 HG LEU A 330 2.571 -10.288 5.215 1.00 15.00 H new ATOM 0 HD11 LEU A 330 3.326 -11.269 3.061 1.00 15.00 H new ATOM 0 HD12 LEU A 330 2.623 -9.650 2.837 1.00 15.00 H new ATOM 0 HD13 LEU A 330 4.389 -9.865 2.807 1.00 15.00 H new ATOM 0 HD21 LEU A 330 4.466 -11.863 5.142 1.00 15.00 H new ATOM 0 HD22 LEU A 330 5.588 -10.494 4.957 1.00 15.00 H new ATOM 0 HD23 LEU A 330 4.641 -10.672 6.453 1.00 15.00 H new ATOM 546 N SER A 331 5.567 -7.605 7.433 1.00 15.00 N ATOM 547 CA SER A 331 6.729 -7.862 8.268 1.00 15.00 C ATOM 548 C SER A 331 6.450 -7.534 9.735 1.00 15.00 C ATOM 549 O SER A 331 7.252 -7.843 10.617 1.00 15.00 O ATOM 550 CB SER A 331 7.922 -7.063 7.750 1.00 15.00 C ATOM 551 OG SER A 331 7.545 -5.729 7.449 1.00 15.00 O ATOM 0 H SER A 331 5.647 -6.773 6.848 1.00 15.00 H new ATOM 0 HA SER A 331 6.962 -8.926 8.215 1.00 15.00 H new ATOM 0 HB2 SER A 331 8.716 -7.061 8.497 1.00 15.00 H new ATOM 0 HB3 SER A 331 8.325 -7.541 6.858 1.00 15.00 H new ATOM 0 HG SER A 331 6.783 -5.470 8.008 1.00 15.00 H new ATOM 557 N ALA A 332 5.317 -6.887 9.989 1.00 15.00 N ATOM 558 CA ALA A 332 4.946 -6.501 11.339 1.00 15.00 C ATOM 559 C ALA A 332 4.026 -7.534 11.987 1.00 15.00 C ATOM 560 O ALA A 332 3.759 -7.466 13.186 1.00 15.00 O ATOM 561 CB ALA A 332 4.281 -5.134 11.327 1.00 15.00 C ATOM 0 H ALA A 332 4.641 -6.620 9.273 1.00 15.00 H new ATOM 0 HA ALA A 332 5.857 -6.451 11.935 1.00 15.00 H new ATOM 0 HB1 ALA A 332 4.007 -4.854 12.344 1.00 15.00 H new ATOM 0 HB2 ALA A 332 4.973 -4.396 10.922 1.00 15.00 H new ATOM 0 HB3 ALA A 332 3.385 -5.170 10.707 1.00 15.00 H new ATOM 567 N ASN A 333 3.541 -8.489 11.194 1.00 15.00 N ATOM 568 CA ASN A 333 2.665 -9.538 11.713 1.00 15.00 C ATOM 569 C ASN A 333 3.443 -10.482 12.614 1.00 15.00 C ATOM 570 O ASN A 333 3.227 -10.450 13.843 1.00 15.00 O ATOM 571 CB ASN A 333 2.003 -10.345 10.588 1.00 15.00 C ATOM 572 CG ASN A 333 0.972 -9.550 9.809 1.00 15.00 C ATOM 573 OD1 ASN A 333 1.372 -9.027 8.665 1.00 15.00 O flip ATOM 574 ND2 ASN A 333 -0.182 -9.430 10.220 1.00 15.00 N flip ATOM 575 OXT ASN A 333 4.287 -11.238 12.091 1.00 15.00 O ATOM 0 H ASN A 333 3.738 -8.558 10.196 1.00 15.00 H new ATOM 0 HA ASN A 333 1.880 -9.042 12.284 1.00 15.00 H new ATOM 0 HB2 ASN A 333 2.773 -10.699 9.902 1.00 15.00 H new ATOM 0 HB3 ASN A 333 1.526 -11.227 11.015 1.00 15.00 H new ATOM 0 HD21 ASN A 333 -0.453 -9.849 11.110 1.00 15.00 H new ATOM 0 HD22 ASN A 333 -0.868 -8.912 9.671 1.00 15.00 H new TER 582 ASN A 333 ATOM 583 N GLU B 203 5.109 -10.016 -5.385 1.00 15.00 N ATOM 584 CA GLU B 203 4.013 -10.081 -4.395 1.00 15.00 C ATOM 585 C GLU B 203 3.239 -11.388 -4.543 1.00 15.00 C ATOM 586 O GLU B 203 2.779 -11.736 -5.629 1.00 15.00 O ATOM 587 CB GLU B 203 3.067 -8.867 -4.526 1.00 15.00 C ATOM 588 CG GLU B 203 2.304 -8.772 -5.845 1.00 15.00 C ATOM 589 CD GLU B 203 3.197 -8.482 -7.035 1.00 15.00 C ATOM 590 OE1 GLU B 203 3.781 -9.438 -7.590 1.00 15.00 O1- ATOM 591 OE2 GLU B 203 3.333 -7.307 -7.415 1.00 15.00 O ATOM 0 HA GLU B 203 4.455 -10.050 -3.399 1.00 15.00 H new ATOM 0 HB2 GLU B 203 2.345 -8.900 -3.710 1.00 15.00 H new ATOM 0 HB3 GLU B 203 3.652 -7.956 -4.398 1.00 15.00 H new ATOM 0 HG2 GLU B 203 1.773 -9.708 -6.018 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.551 -7.988 -5.765 1.00 15.00 H new ATOM 600 N LEU B 204 3.122 -12.120 -3.445 1.00 15.00 N ATOM 601 CA LEU B 204 2.381 -13.377 -3.432 1.00 15.00 C ATOM 602 C LEU B 204 0.889 -13.119 -3.223 1.00 15.00 C ATOM 603 O LEU B 204 0.063 -14.019 -3.354 1.00 15.00 O ATOM 604 CB LEU B 204 2.925 -14.297 -2.334 1.00 15.00 C ATOM 605 CG LEU B 204 2.335 -15.710 -2.302 1.00 15.00 C ATOM 606 CD1 LEU B 204 2.704 -16.474 -3.565 1.00 15.00 C ATOM 607 CD2 LEU B 204 2.817 -16.455 -1.068 1.00 15.00 C ATOM 0 H LEU B 204 3.532 -11.865 -2.546 1.00 15.00 H new ATOM 0 HA LEU B 204 2.510 -13.868 -4.397 1.00 15.00 H new ATOM 0 HB2 LEU B 204 4.005 -14.376 -2.454 1.00 15.00 H new ATOM 0 HB3 LEU B 204 2.745 -13.826 -1.368 1.00 15.00 H new ATOM 0 HG LEU B 204 1.249 -15.630 -2.257 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.275 -17.475 -3.523 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.313 -15.948 -4.436 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.789 -16.547 -3.642 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.390 -17.458 -1.058 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.905 -16.524 -1.086 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.503 -15.918 -0.173 1.00 15.00 H new ATOM 619 N GLU B 205 0.558 -11.880 -2.889 1.00 15.00 N ATOM 620 CA GLU B 205 -0.816 -11.497 -2.611 1.00 15.00 C ATOM 621 C GLU B 205 -1.540 -11.108 -3.902 1.00 15.00 C ATOM 622 O GLU B 205 -0.907 -10.723 -4.888 1.00 15.00 O ATOM 623 CB GLU B 205 -0.832 -10.336 -1.608 1.00 15.00 C ATOM 624 CG GLU B 205 -2.227 -9.900 -1.174 1.00 15.00 C ATOM 625 CD GLU B 205 -3.039 -11.032 -0.577 1.00 15.00 C ATOM 626 OE1 GLU B 205 -2.900 -11.291 0.632 1.00 15.00 O1- ATOM 627 OE2 GLU B 205 -3.823 -11.664 -1.322 1.00 15.00 O ATOM 0 H GLU B 205 1.230 -11.118 -2.804 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.342 -12.348 -2.177 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -0.264 -10.627 -0.724 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -0.319 -9.482 -2.050 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.140 -9.097 -0.442 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.759 -9.492 -2.034 1.00 15.00 H new ATOM 634 N SER B 206 -2.864 -11.216 -3.866 1.00 15.00 N ATOM 635 CA SER B 206 -3.736 -10.833 -4.974 1.00 15.00 C ATOM 636 C SER B 206 -3.434 -9.452 -5.526 1.00 15.00 C ATOM 637 O SER B 206 -2.936 -8.562 -4.836 1.00 15.00 O ATOM 638 CB SER B 206 -5.184 -10.897 -4.518 1.00 15.00 C ATOM 639 OG SER B 206 -5.331 -10.475 -3.167 1.00 15.00 O ATOM 0 H SER B 206 -3.369 -11.576 -3.057 1.00 15.00 H new ATOM 0 HA SER B 206 -3.553 -11.539 -5.784 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.797 -10.268 -5.164 1.00 15.00 H new ATOM 0 HB3 SER B 206 -5.553 -11.917 -4.623 1.00 15.00 H new ATOM 0 HG SER B 206 -5.047 -11.195 -2.566 1.00 15.00 H new ATOM 645 N PRO B 207 -3.806 -9.291 -6.790 1.00 15.00 N ATOM 646 CA PRO B 207 -3.646 -8.054 -7.551 1.00 15.00 C ATOM 647 C PRO B 207 -4.152 -6.836 -6.772 1.00 15.00 C ATOM 648 O PRO B 207 -5.324 -6.780 -6.378 1.00 15.00 O ATOM 649 CB PRO B 207 -4.528 -8.291 -8.784 1.00 15.00 C ATOM 650 CG PRO B 207 -4.627 -9.777 -8.935 1.00 15.00 C ATOM 651 CD PRO B 207 -4.387 -10.378 -7.573 1.00 15.00 C ATOM 0 HA PRO B 207 -2.602 -7.842 -7.783 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.514 -7.845 -8.651 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.089 -7.836 -9.672 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -5.609 -10.061 -9.314 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -3.891 -10.141 -9.652 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.316 -10.735 -7.128 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -3.711 -11.232 -7.629 1.00 15.00 H new ATOM 659 N PRO B 208 -3.262 -5.862 -6.503 1.00 15.00 N ATOM 660 CA PRO B 208 -3.588 -4.690 -5.699 1.00 15.00 C ATOM 661 C PRO B 208 -4.197 -3.534 -6.499 1.00 15.00 C ATOM 662 O PRO B 208 -4.144 -3.514 -7.730 1.00 15.00 O ATOM 663 CB PRO B 208 -2.234 -4.275 -5.108 1.00 15.00 C ATOM 664 CG PRO B 208 -1.178 -5.057 -5.834 1.00 15.00 C ATOM 665 CD PRO B 208 -1.856 -5.842 -6.924 1.00 15.00 C ATOM 0 HA PRO B 208 -4.351 -4.928 -4.958 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.072 -3.204 -5.230 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.200 -4.483 -4.039 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.428 -4.387 -6.255 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.658 -5.726 -5.148 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.734 -5.366 -7.897 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.447 -6.849 -7.008 1.00 15.00 H new ATOM 673 N PRO B 209 -4.774 -2.552 -5.771 1.00 15.00 N ATOM 674 CA PRO B 209 -5.384 -1.339 -6.347 1.00 15.00 C ATOM 675 C PRO B 209 -4.494 -0.627 -7.371 1.00 15.00 C ATOM 676 O PRO B 209 -3.282 -0.524 -7.180 1.00 15.00 O ATOM 677 CB PRO B 209 -5.552 -0.431 -5.124 1.00 15.00 C ATOM 678 CG PRO B 209 -5.687 -1.348 -3.964 1.00 15.00 C ATOM 679 CD PRO B 209 -4.895 -2.579 -4.297 1.00 15.00 C ATOM 0 HA PRO B 209 -6.300 -1.582 -6.886 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.693 0.229 -5.004 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.431 0.205 -5.226 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.311 -0.880 -3.054 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.733 -1.597 -3.786 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -3.916 -2.563 -3.818 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.402 -3.482 -3.957 1.00 15.00 H new ATOM 687 N PRO B 210 -5.093 -0.118 -8.465 1.00 15.00 N ATOM 688 CA PRO B 210 -4.390 0.751 -9.424 1.00 15.00 C ATOM 689 C PRO B 210 -3.805 1.972 -8.718 1.00 15.00 C ATOM 690 O PRO B 210 -4.391 2.468 -7.750 1.00 15.00 O ATOM 691 CB PRO B 210 -5.493 1.172 -10.400 1.00 15.00 C ATOM 692 CG PRO B 210 -6.532 0.112 -10.284 1.00 15.00 C ATOM 693 CD PRO B 210 -6.494 -0.348 -8.855 1.00 15.00 C ATOM 0 HA PRO B 210 -3.553 0.253 -9.914 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.897 2.151 -10.142 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.113 1.243 -11.419 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.517 0.501 -10.543 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.326 -0.713 -10.965 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.184 0.220 -8.231 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.771 -1.398 -8.763 1.00 15.00 H new ATOM 701 N TYR B 211 -2.673 2.474 -9.202 1.00 15.00 N ATOM 702 CA TYR B 211 -1.963 3.521 -8.485 1.00 15.00 C ATOM 703 C TYR B 211 -2.664 4.871 -8.569 1.00 15.00 C ATOM 704 O TYR B 211 -2.477 5.644 -9.509 1.00 15.00 O ATOM 705 CB TYR B 211 -0.508 3.659 -8.938 1.00 15.00 C ATOM 706 CG TYR B 211 0.292 4.601 -8.060 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.596 4.255 -6.751 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.746 5.829 -8.532 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.324 5.097 -5.940 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.475 6.679 -7.717 1.00 15.00 C ATOM 711 CZ TYR B 211 1.758 6.304 -6.425 1.00 15.00 C ATOM 712 OH TYR B 211 2.492 7.135 -5.614 1.00 15.00 O ATOM 0 H TYR B 211 -2.235 2.177 -10.074 1.00 15.00 H new ATOM 0 HA TYR B 211 -1.966 3.204 -7.442 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.036 2.677 -8.934 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.485 4.020 -9.966 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.255 3.307 -6.361 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.527 6.123 -9.548 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.552 4.808 -4.925 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.819 7.631 -8.094 1.00 15.00 H new ATOM 0 HH TYR B 211 2.588 8.011 -6.044 1.00 15.00 H new ATOM 722 N SER B 212 -3.518 5.093 -7.597 1.00 15.00 N ATOM 723 CA SER B 212 -4.024 6.406 -7.273 1.00 15.00 C ATOM 724 C SER B 212 -3.332 6.815 -5.984 1.00 15.00 C ATOM 725 O SER B 212 -2.978 5.936 -5.198 1.00 15.00 O ATOM 726 CB SER B 212 -5.543 6.353 -7.094 1.00 15.00 C ATOM 727 OG SER B 212 -6.160 5.745 -8.218 1.00 15.00 O ATOM 0 H SER B 212 -3.887 4.353 -6.999 1.00 15.00 H new ATOM 0 HA SER B 212 -3.825 7.127 -8.065 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.788 5.793 -6.191 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.934 7.362 -6.960 1.00 15.00 H new ATOM 0 HG SER B 212 -7.130 5.719 -8.084 1.00 15.00 H new ATOM 733 N ARG B 213 -3.109 8.106 -5.750 1.00 15.00 N ATOM 734 CA ARG B 213 -2.335 8.503 -4.576 1.00 15.00 C ATOM 735 C ARG B 213 -3.035 8.000 -3.325 1.00 15.00 C ATOM 736 O ARG B 213 -2.421 7.381 -2.458 1.00 15.00 O ATOM 737 CB ARG B 213 -2.166 10.026 -4.445 1.00 15.00 C ATOM 738 CG ARG B 213 -1.852 10.774 -5.722 1.00 15.00 C ATOM 739 CD ARG B 213 -0.679 10.168 -6.480 1.00 15.00 C ATOM 740 NE ARG B 213 -0.388 10.906 -7.704 1.00 15.00 N ATOM 741 CZ ARG B 213 0.765 10.840 -8.364 1.00 15.00 C ATOM 742 NH1 ARG B 213 1.756 10.087 -7.911 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 0.937 11.539 -9.476 1.00 15.00 N ATOM 0 H ARG B 213 -3.440 8.873 -6.335 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.343 8.067 -4.694 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -3.083 10.438 -4.023 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.369 10.222 -3.728 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -2.733 10.776 -6.364 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.628 11.814 -5.484 1.00 15.00 H new ATOM 0 HD2 ARG B 213 0.203 10.162 -5.840 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.902 9.130 -6.725 1.00 15.00 H new ATOM 0 HE ARG B 213 -1.117 11.513 -8.079 1.00 15.00 H new ATOM 0 HH11 ARG B 213 1.638 9.552 -7.050 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.637 10.042 -8.423 1.00 15.00 H new ATOM 0 HH21 ARG B 213 0.184 12.130 -9.828 1.00 15.00 H new ATOM 0 HH22 ARG B 213 1.822 11.486 -9.980 1.00 15.00 H new ATOM 757 N TYR B 214 -4.318 8.320 -3.216 1.00 15.00 N ATOM 758 CA TYR B 214 -5.124 7.870 -2.094 1.00 15.00 C ATOM 759 C TYR B 214 -6.307 7.032 -2.569 1.00 15.00 C ATOM 760 O TYR B 214 -7.402 7.549 -2.789 1.00 15.00 O ATOM 761 CB TYR B 214 -5.567 9.077 -1.253 1.00 15.00 C ATOM 762 CG TYR B 214 -4.409 10.010 -0.963 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.987 10.932 -1.916 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.699 9.929 0.227 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.893 11.741 -1.698 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.610 10.747 0.461 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.208 11.646 -0.504 1.00 15.00 C ATOM 768 OH TYR B 214 -1.105 12.437 -0.278 1.00 15.00 O ATOM 0 H TYR B 214 -4.822 8.891 -3.894 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.520 7.222 -1.458 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.350 9.621 -1.781 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.998 8.729 -0.314 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.529 11.015 -2.847 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.002 9.217 0.980 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.575 12.443 -2.455 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.075 10.682 1.397 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.344 11.873 -0.027 1.00 15.00 H new ATOM 778 N PRO B 215 -6.068 5.736 -2.802 1.00 15.00 N ATOM 779 CA PRO B 215 -7.114 4.792 -3.201 1.00 15.00 C ATOM 780 C PRO B 215 -8.052 4.465 -2.037 1.00 15.00 C ATOM 781 O PRO B 215 -7.609 4.084 -0.952 1.00 15.00 O ATOM 782 CB PRO B 215 -6.324 3.556 -3.646 1.00 15.00 C ATOM 783 CG PRO B 215 -5.023 3.642 -2.920 1.00 15.00 C ATOM 784 CD PRO B 215 -4.742 5.097 -2.712 1.00 15.00 C ATOM 0 HA PRO B 215 -7.763 5.187 -3.983 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.855 2.638 -3.395 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.173 3.552 -4.726 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.077 3.118 -1.966 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.226 3.173 -3.497 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.277 5.279 -1.743 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.061 5.484 -3.470 1.00 15.00 H new ATOM 792 N MET B 216 -9.347 4.620 -2.260 1.00 15.00 N ATOM 793 CA MET B 216 -10.320 4.466 -1.188 1.00 15.00 C ATOM 794 C MET B 216 -11.373 3.413 -1.521 1.00 15.00 C ATOM 795 O MET B 216 -12.221 3.615 -2.393 1.00 15.00 O ATOM 796 CB MET B 216 -10.998 5.808 -0.901 1.00 15.00 C ATOM 797 CG MET B 216 -12.043 5.747 0.202 1.00 15.00 C ATOM 798 SD MET B 216 -12.865 7.332 0.466 1.00 15.00 S ATOM 799 CE MET B 216 -11.473 8.368 0.913 1.00 15.00 C ATOM 0 H MET B 216 -9.749 4.851 -3.169 1.00 15.00 H new ATOM 0 HA MET B 216 -9.783 4.128 -0.302 1.00 15.00 H new ATOM 0 HB2 MET B 216 -10.236 6.537 -0.626 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.469 6.169 -1.815 1.00 15.00 H new ATOM 0 HG2 MET B 216 -12.788 4.993 -0.050 1.00 15.00 H new ATOM 0 HG3 MET B 216 -11.568 5.429 1.130 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.833 9.261 1.424 1.00 15.00 H new ATOM 0 HE2 MET B 216 -10.806 7.816 1.575 1.00 15.00 H new ATOM 0 HE3 MET B 216 -10.932 8.659 0.013 1.00 15.00 H new ATOM 809 N ASP B 217 -11.294 2.280 -0.838 1.00 15.00 N ATOM 810 CA ASP B 217 -12.317 1.250 -0.933 1.00 15.00 C ATOM 811 C ASP B 217 -12.349 0.436 0.350 1.00 15.00 C ATOM 812 O ASP B 217 -11.677 -0.615 0.411 1.00 15.00 O ATOM 813 CB ASP B 217 -12.079 0.328 -2.132 1.00 15.00 C ATOM 814 CG ASP B 217 -13.190 -0.693 -2.282 1.00 15.00 C ATOM 815 OD1 ASP B 217 -14.372 -0.286 -2.279 1.00 15.00 O ATOM 816 OD2 ASP B 217 -12.896 -1.901 -2.402 1.00 15.00 O1- ATOM 817 OXT ASP B 217 -13.021 0.877 1.302 1.00 15.00 O ATOM 0 H ASP B 217 -10.526 2.050 -0.208 1.00 15.00 H new ATOM 0 HA ASP B 217 -13.278 1.743 -1.078 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.007 0.925 -3.041 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -11.125 -0.186 -2.012 1.00 15.00 H new TER 822 ASP B 217