USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=13 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= -3.18! C(o=-2.7!,f=-14!) USER MOD Set 1.2: B 211 TYR OH : rot 61:sc= -0.137! USER MOD Set 1.3: B 214 TYR OH : rot -124:sc= 0.628 USER MOD Set 2.1: A 320 ASN : amide:sc= -0.0991 K(o=0.69,f=-0.47) USER MOD Set 2.2: A 322 THR OG1 : rot 134:sc= 0.784 USER MOD Single : A 307 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.057) USER MOD Single : A 308 THR OG1 : rot -82:sc= 0.918 USER MOD Single : A 310 THR OG1 : rot 49:sc= 0.394 USER MOD Single : A 314 TYR OH : rot -92:sc= 2.16 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 323 THR OG1 : rot -141:sc= -1.59! USER MOD Single : A 324 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot 180:sc= -0.066 USER MOD Single : A 333 ASN :FLIP amide:sc= -0.0189 F(o=-1.2,f=-0.019) USER MOD Single : B 206 SER OG : rot -72:sc= 1.54 USER MOD Single : B 212 SER OG : rot 180:sc= -0.184 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 297 7.612 1.342 14.080 1.00 15.00 N ATOM 2 CA GLY A 297 8.112 2.513 13.325 1.00 15.00 C ATOM 3 C GLY A 297 6.985 3.340 12.749 1.00 15.00 C ATOM 4 O GLY A 297 5.989 2.784 12.278 1.00 15.00 O ATOM 0 HA2 GLY A 297 8.719 3.136 13.982 1.00 15.00 H new ATOM 0 HA3 GLY A 297 8.761 2.174 12.518 1.00 15.00 H new ATOM 10 N PRO A 298 7.106 4.676 12.794 1.00 15.00 N ATOM 11 CA PRO A 298 6.117 5.585 12.211 1.00 15.00 C ATOM 12 C PRO A 298 6.126 5.515 10.688 1.00 15.00 C ATOM 13 O PRO A 298 7.136 5.146 10.087 1.00 15.00 O ATOM 14 CB PRO A 298 6.567 6.977 12.680 1.00 15.00 C ATOM 15 CG PRO A 298 7.595 6.740 13.733 1.00 15.00 C ATOM 16 CD PRO A 298 8.213 5.409 13.421 1.00 15.00 C ATOM 0 HA PRO A 298 5.102 5.335 12.519 1.00 15.00 H new ATOM 0 HB2 PRO A 298 6.981 7.553 11.852 1.00 15.00 H new ATOM 0 HB3 PRO A 298 5.726 7.547 13.076 1.00 15.00 H new ATOM 0 HG2 PRO A 298 8.347 7.529 13.728 1.00 15.00 H new ATOM 0 HG3 PRO A 298 7.143 6.737 14.725 1.00 15.00 H new ATOM 0 HD2 PRO A 298 9.066 5.506 12.749 1.00 15.00 H new ATOM 0 HD3 PRO A 298 8.572 4.909 14.321 1.00 15.00 H new ATOM 24 N LEU A 299 5.013 5.890 10.072 1.00 15.00 N ATOM 25 CA LEU A 299 4.902 5.875 8.617 1.00 15.00 C ATOM 26 C LEU A 299 5.949 6.793 7.993 1.00 15.00 C ATOM 27 O LEU A 299 6.007 7.981 8.315 1.00 15.00 O ATOM 28 CB LEU A 299 3.507 6.336 8.187 1.00 15.00 C ATOM 29 CG LEU A 299 3.261 6.323 6.678 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.032 4.904 6.184 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.081 7.214 6.325 1.00 15.00 C ATOM 0 H LEU A 299 4.173 6.209 10.556 1.00 15.00 H new ATOM 0 HA LEU A 299 5.069 4.854 8.273 1.00 15.00 H new ATOM 0 HB2 LEU A 299 2.765 5.697 8.667 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.344 7.348 8.558 1.00 15.00 H new ATOM 0 HG LEU A 299 4.148 6.715 6.181 1.00 15.00 H new ATOM 0 HD11 LEU A 299 2.859 4.917 5.108 1.00 15.00 H new ATOM 0 HD12 LEU A 299 3.910 4.296 6.403 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.163 4.480 6.686 1.00 15.00 H new ATOM 0 HD21 LEU A 299 1.919 7.194 5.247 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.187 6.852 6.833 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.289 8.236 6.641 1.00 15.00 H new ATOM 43 N PRO A 300 6.794 6.256 7.101 1.00 15.00 N ATOM 44 CA PRO A 300 7.817 7.048 6.414 1.00 15.00 C ATOM 45 C PRO A 300 7.187 8.085 5.486 1.00 15.00 C ATOM 46 O PRO A 300 6.232 7.783 4.776 1.00 15.00 O ATOM 47 CB PRO A 300 8.608 6.007 5.611 1.00 15.00 C ATOM 48 CG PRO A 300 8.234 4.687 6.197 1.00 15.00 C ATOM 49 CD PRO A 300 6.825 4.846 6.679 1.00 15.00 C ATOM 0 HA PRO A 300 8.440 7.614 7.107 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.355 6.053 4.552 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.681 6.182 5.690 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.307 3.893 5.454 1.00 15.00 H new ATOM 0 HG3 PRO A 300 8.901 4.419 7.016 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.100 4.642 5.891 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.599 4.170 7.503 1.00 15.00 H new ATOM 57 N PRO A 301 7.727 9.314 5.463 1.00 15.00 N ATOM 58 CA PRO A 301 7.143 10.430 4.698 1.00 15.00 C ATOM 59 C PRO A 301 7.094 10.198 3.184 1.00 15.00 C ATOM 60 O PRO A 301 6.402 10.919 2.465 1.00 15.00 O ATOM 61 CB PRO A 301 8.055 11.616 5.028 1.00 15.00 C ATOM 62 CG PRO A 301 9.326 11.007 5.518 1.00 15.00 C ATOM 63 CD PRO A 301 8.939 9.723 6.192 1.00 15.00 C ATOM 0 HA PRO A 301 6.099 10.576 4.974 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.229 12.236 4.148 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.608 12.258 5.787 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.013 10.822 4.692 1.00 15.00 H new ATOM 0 HG3 PRO A 301 9.835 11.674 6.213 1.00 15.00 H new ATOM 0 HD2 PRO A 301 9.727 8.974 6.115 1.00 15.00 H new ATOM 0 HD3 PRO A 301 8.741 9.869 7.254 1.00 15.00 H new ATOM 71 N GLY A 302 7.848 9.222 2.696 1.00 15.00 N ATOM 72 CA GLY A 302 7.805 8.893 1.283 1.00 15.00 C ATOM 73 C GLY A 302 6.790 7.807 0.988 1.00 15.00 C ATOM 74 O GLY A 302 6.414 7.578 -0.165 1.00 15.00 O ATOM 0 H GLY A 302 8.487 8.653 3.251 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.558 9.786 0.709 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.792 8.566 0.956 1.00 15.00 H new ATOM 78 N TRP A 303 6.359 7.141 2.047 1.00 15.00 N ATOM 79 CA TRP A 303 5.438 6.023 1.950 1.00 15.00 C ATOM 80 C TRP A 303 4.006 6.470 2.147 1.00 15.00 C ATOM 81 O TRP A 303 3.743 7.421 2.881 1.00 15.00 O ATOM 82 CB TRP A 303 5.771 4.978 2.996 1.00 15.00 C ATOM 83 CG TRP A 303 6.826 4.034 2.555 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.174 4.236 2.572 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.619 2.726 2.027 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.816 3.125 2.105 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.878 2.188 1.765 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.491 1.948 1.755 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.040 0.922 1.253 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.664 0.683 1.247 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.929 0.180 1.002 1.00 15.00 C ATOM 0 H TRP A 303 6.640 7.363 3.002 1.00 15.00 H new ATOM 0 HA TRP A 303 5.542 5.600 0.951 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.096 5.476 3.909 1.00 15.00 H new ATOM 0 HB3 TRP A 303 4.869 4.418 3.242 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.662 5.140 2.905 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.826 3.012 2.023 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.500 2.334 1.941 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.026 0.527 1.055 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.799 0.072 1.036 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.036 -0.819 0.605 1.00 15.00 H new ATOM 102 N GLU A 304 3.080 5.763 1.518 1.00 15.00 N ATOM 103 CA GLU A 304 1.663 6.128 1.631 1.00 15.00 C ATOM 104 C GLU A 304 0.815 4.909 2.001 1.00 15.00 C ATOM 105 O GLU A 304 0.686 3.977 1.228 1.00 15.00 O ATOM 106 CB GLU A 304 1.190 6.778 0.326 1.00 15.00 C ATOM 107 CG GLU A 304 1.789 8.159 0.090 1.00 15.00 C ATOM 108 CD GLU A 304 1.027 9.280 0.781 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.954 9.289 2.025 1.00 15.00 O ATOM 110 OE2 GLU A 304 0.521 10.179 0.063 1.00 15.00 O1- ATOM 0 H GLU A 304 3.270 4.949 0.934 1.00 15.00 H new ATOM 0 HA GLU A 304 1.543 6.855 2.434 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.450 6.129 -0.510 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.103 6.859 0.341 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.821 8.163 0.440 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.816 8.356 -0.982 1.00 15.00 H new ATOM 117 N ILE A 305 0.242 4.917 3.196 1.00 15.00 N ATOM 118 CA ILE A 305 -0.411 3.726 3.742 1.00 15.00 C ATOM 119 C ILE A 305 -1.928 3.731 3.523 1.00 15.00 C ATOM 120 O ILE A 305 -2.602 4.725 3.799 1.00 15.00 O ATOM 121 CB ILE A 305 -0.112 3.590 5.256 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.807 2.362 5.848 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.540 4.851 6.001 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.414 2.082 7.284 1.00 15.00 C ATOM 0 H ILE A 305 0.214 5.732 3.809 1.00 15.00 H new ATOM 0 HA ILE A 305 -0.001 2.873 3.202 1.00 15.00 H new ATOM 0 HB ILE A 305 0.964 3.460 5.374 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.886 2.504 5.796 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.570 1.490 5.238 1.00 15.00 H new ATOM 0 HG21 ILE A 305 -0.323 4.738 7.063 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.006 5.709 5.608 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.610 5.009 5.865 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.944 1.198 7.640 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.661 1.908 7.340 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.676 2.938 7.906 1.00 15.00 H new ATOM 136 N ARG A 306 -2.459 2.617 3.012 1.00 15.00 N ATOM 137 CA ARG A 306 -3.904 2.422 2.936 1.00 15.00 C ATOM 138 C ARG A 306 -4.301 0.962 3.140 1.00 15.00 C ATOM 139 O ARG A 306 -3.622 0.033 2.691 1.00 15.00 O ATOM 140 CB ARG A 306 -4.493 2.913 1.618 1.00 15.00 C ATOM 141 CG ARG A 306 -4.746 4.406 1.578 1.00 15.00 C ATOM 142 CD ARG A 306 -5.924 4.719 0.682 1.00 15.00 C ATOM 143 NE ARG A 306 -7.021 3.781 0.928 1.00 15.00 N ATOM 144 CZ ARG A 306 -7.927 3.905 1.899 1.00 15.00 C ATOM 145 NH1 ARG A 306 -7.937 4.974 2.686 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.828 2.948 2.081 1.00 15.00 N ATOM 0 H ARG A 306 -1.909 1.840 2.646 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.315 3.021 3.748 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -3.815 2.647 0.807 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.431 2.390 1.433 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.939 4.775 2.585 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.857 4.922 1.214 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -6.263 5.739 0.861 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.618 4.664 -0.363 1.00 15.00 H new ATOM 0 HE ARG A 306 -7.098 2.973 0.311 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.247 5.713 2.552 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -8.635 5.057 3.425 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.825 2.124 1.480 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -9.524 3.037 2.822 1.00 15.00 H new ATOM 160 N ASN A 307 -5.448 0.785 3.785 1.00 15.00 N ATOM 161 CA ASN A 307 -5.992 -0.530 4.088 1.00 15.00 C ATOM 162 C ASN A 307 -7.158 -0.851 3.141 1.00 15.00 C ATOM 163 O ASN A 307 -8.036 -0.013 2.945 1.00 15.00 O ATOM 164 CB ASN A 307 -6.498 -0.536 5.536 1.00 15.00 C ATOM 165 CG ASN A 307 -6.960 -1.902 6.009 1.00 15.00 C ATOM 166 OD1 ASN A 307 -8.095 -2.311 5.760 1.00 15.00 O ATOM 167 ND2 ASN A 307 -6.102 -2.590 6.743 1.00 15.00 N ATOM 0 H ASN A 307 -6.029 1.556 4.114 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.214 -1.282 3.958 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.703 -0.183 6.192 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -7.324 0.170 5.627 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -6.371 -3.496 7.127 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.171 -2.215 6.925 1.00 15.00 H new ATOM 174 N THR A 308 -7.177 -2.051 2.561 1.00 15.00 N ATOM 175 CA THR A 308 -8.314 -2.483 1.753 1.00 15.00 C ATOM 176 C THR A 308 -9.241 -3.351 2.600 1.00 15.00 C ATOM 177 O THR A 308 -8.772 -4.088 3.475 1.00 15.00 O ATOM 178 CB THR A 308 -7.874 -3.282 0.506 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.485 -3.606 0.599 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.142 -2.509 -0.784 1.00 15.00 C ATOM 0 H THR A 308 -6.424 -2.735 2.635 1.00 15.00 H new ATOM 0 HA THR A 308 -8.832 -1.587 1.411 1.00 15.00 H new ATOM 0 HB THR A 308 -8.463 -4.199 0.474 1.00 15.00 H new ATOM 0 HG1 THR A 308 -5.950 -2.839 0.307 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.819 -3.104 -1.638 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.209 -2.301 -0.869 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.590 -1.569 -0.767 1.00 15.00 H new ATOM 188 N ALA A 309 -10.543 -3.278 2.320 1.00 15.00 N ATOM 189 CA ALA A 309 -11.559 -3.963 3.120 1.00 15.00 C ATOM 190 C ALA A 309 -11.358 -5.480 3.147 1.00 15.00 C ATOM 191 O ALA A 309 -11.891 -6.167 4.016 1.00 15.00 O ATOM 192 CB ALA A 309 -12.946 -3.623 2.599 1.00 15.00 C ATOM 0 H ALA A 309 -10.921 -2.745 1.537 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.457 -3.610 4.146 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.696 -4.137 3.200 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.105 -2.547 2.663 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.033 -3.942 1.560 1.00 15.00 H new ATOM 198 N THR A 310 -10.591 -5.999 2.197 1.00 15.00 N ATOM 199 CA THR A 310 -10.254 -7.417 2.176 1.00 15.00 C ATOM 200 C THR A 310 -9.368 -7.796 3.364 1.00 15.00 C ATOM 201 O THR A 310 -9.207 -8.973 3.682 1.00 15.00 O ATOM 202 CB THR A 310 -9.561 -7.820 0.857 1.00 15.00 C ATOM 203 OG1 THR A 310 -8.672 -6.779 0.423 1.00 15.00 O ATOM 204 CG2 THR A 310 -10.588 -8.106 -0.230 1.00 15.00 C ATOM 0 H THR A 310 -10.190 -5.459 1.430 1.00 15.00 H new ATOM 0 HA THR A 310 -11.194 -7.964 2.251 1.00 15.00 H new ATOM 0 HB THR A 310 -8.987 -8.728 1.041 1.00 15.00 H new ATOM 0 HG1 THR A 310 -8.103 -6.502 1.171 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.075 -8.388 -1.150 1.00 15.00 H new ATOM 0 HG22 THR A 310 -11.237 -8.922 0.088 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.188 -7.213 -0.408 1.00 15.00 H new ATOM 212 N GLY A 311 -8.806 -6.786 4.018 1.00 15.00 N ATOM 213 CA GLY A 311 -7.959 -7.021 5.171 1.00 15.00 C ATOM 214 C GLY A 311 -6.486 -7.052 4.816 1.00 15.00 C ATOM 215 O GLY A 311 -5.725 -7.841 5.375 1.00 15.00 O ATOM 0 H GLY A 311 -8.923 -5.804 3.768 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.134 -6.240 5.911 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.237 -7.967 5.635 1.00 15.00 H new ATOM 219 N ARG A 312 -6.083 -6.192 3.889 1.00 15.00 N ATOM 220 CA ARG A 312 -4.698 -6.148 3.432 1.00 15.00 C ATOM 221 C ARG A 312 -4.248 -4.699 3.320 1.00 15.00 C ATOM 222 O ARG A 312 -5.064 -3.822 3.033 1.00 15.00 O ATOM 223 CB ARG A 312 -4.548 -6.833 2.075 1.00 15.00 C ATOM 224 CG ARG A 312 -5.054 -8.260 2.024 1.00 15.00 C ATOM 225 CD ARG A 312 -5.021 -8.787 0.603 1.00 15.00 C ATOM 226 NE ARG A 312 -6.164 -8.325 -0.186 1.00 15.00 N ATOM 227 CZ ARG A 312 -6.454 -8.776 -1.406 1.00 15.00 C ATOM 228 NH1 ARG A 312 -5.697 -9.711 -1.968 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -7.505 -8.297 -2.059 1.00 15.00 N ATOM 0 H ARG A 312 -6.697 -5.514 3.437 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.078 -6.677 4.156 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.081 -6.246 1.327 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -3.495 -6.826 1.795 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -4.441 -8.892 2.666 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.072 -8.305 2.411 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -4.097 -8.469 0.121 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -5.012 -9.877 0.622 1.00 15.00 H new ATOM 0 HE ARG A 312 -6.774 -7.617 0.222 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -4.892 -10.085 -1.466 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -5.921 -10.055 -2.902 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.092 -7.583 -1.627 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.726 -8.643 -2.993 1.00 15.00 H new ATOM 243 N VAL A 313 -2.964 -4.439 3.520 1.00 15.00 N ATOM 244 CA VAL A 313 -2.487 -3.068 3.543 1.00 15.00 C ATOM 245 C VAL A 313 -1.517 -2.780 2.387 1.00 15.00 C ATOM 246 O VAL A 313 -0.344 -3.124 2.435 1.00 15.00 O ATOM 247 CB VAL A 313 -1.816 -2.733 4.886 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.755 -1.226 5.086 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.557 -3.405 6.035 1.00 15.00 C ATOM 0 H VAL A 313 -2.245 -5.148 3.666 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.362 -2.430 3.419 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.796 -3.116 4.871 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.278 -1.005 6.041 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.178 -0.775 4.279 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.765 -0.817 5.082 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.069 -3.157 6.977 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.589 -3.054 6.058 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.545 -4.486 5.893 1.00 15.00 H new ATOM 259 N TYR A 314 -2.032 -2.140 1.352 1.00 15.00 N ATOM 260 CA TYR A 314 -1.258 -1.713 0.216 1.00 15.00 C ATOM 261 C TYR A 314 -0.716 -0.311 0.460 1.00 15.00 C ATOM 262 O TYR A 314 -1.464 0.659 0.594 1.00 15.00 O ATOM 263 CB TYR A 314 -2.142 -1.724 -1.044 1.00 15.00 C ATOM 264 CG TYR A 314 -3.387 -0.855 -0.933 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.433 -1.220 -0.097 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.510 0.333 -1.649 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.560 -0.436 0.025 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.640 1.127 -1.529 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.660 0.734 -0.686 1.00 15.00 C ATOM 270 OH TYR A 314 -6.795 1.502 -0.567 1.00 15.00 O ATOM 0 H TYR A 314 -3.021 -1.901 1.283 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.421 -2.396 0.071 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.550 -1.386 -1.894 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.445 -2.750 -1.254 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.362 -2.137 0.469 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.712 0.641 -2.309 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.363 -0.742 0.679 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.722 2.046 -2.091 1.00 15.00 H new ATOM 0 HH TYR A 314 -7.434 1.252 -1.266 1.00 15.00 H new ATOM 280 N PHE A 315 0.585 -0.221 0.578 1.00 15.00 N ATOM 281 CA PHE A 315 1.244 1.057 0.680 1.00 15.00 C ATOM 282 C PHE A 315 1.650 1.504 -0.703 1.00 15.00 C ATOM 283 O PHE A 315 2.427 0.837 -1.362 1.00 15.00 O ATOM 284 CB PHE A 315 2.497 0.964 1.542 1.00 15.00 C ATOM 285 CG PHE A 315 2.280 0.598 2.981 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.668 -0.591 3.328 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.728 1.435 3.991 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.500 -0.937 4.649 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.568 1.088 5.318 1.00 15.00 C ATOM 290 CZ PHE A 315 1.951 -0.102 5.644 1.00 15.00 C ATOM 0 H PHE A 315 1.213 -1.024 0.606 1.00 15.00 H new ATOM 0 HA PHE A 315 0.554 1.766 1.138 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.166 0.227 1.097 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.011 1.924 1.506 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.317 -1.257 2.553 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.208 2.369 3.737 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.013 -1.866 4.905 1.00 15.00 H new ATOM 0 HE2 PHE A 315 2.924 1.745 6.097 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.822 -0.378 6.680 1.00 15.00 H new ATOM 300 N VAL A 316 1.153 2.623 -1.148 1.00 15.00 N ATOM 301 CA VAL A 316 1.545 3.115 -2.436 1.00 15.00 C ATOM 302 C VAL A 316 2.777 4.001 -2.268 1.00 15.00 C ATOM 303 O VAL A 316 2.775 4.940 -1.469 1.00 15.00 O ATOM 304 CB VAL A 316 0.401 3.884 -3.148 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.675 2.916 -3.612 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.216 4.942 -2.250 1.00 15.00 C ATOM 0 H VAL A 316 0.484 3.205 -0.645 1.00 15.00 H new ATOM 0 HA VAL A 316 1.782 2.264 -3.074 1.00 15.00 H new ATOM 0 HB VAL A 316 0.837 4.389 -4.010 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.472 3.469 -4.110 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.242 2.197 -4.308 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.084 2.387 -2.751 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.012 5.456 -2.788 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.627 4.468 -1.359 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.548 5.662 -1.958 1.00 15.00 H new ATOM 316 N ASP A 317 3.858 3.678 -2.970 1.00 15.00 N ATOM 317 CA ASP A 317 5.065 4.458 -2.854 1.00 15.00 C ATOM 318 C ASP A 317 4.998 5.553 -3.884 1.00 15.00 C ATOM 319 O ASP A 317 4.831 5.268 -5.075 1.00 15.00 O ATOM 320 CB ASP A 317 6.327 3.631 -3.126 1.00 15.00 C ATOM 321 CG ASP A 317 6.201 2.174 -2.770 1.00 15.00 C ATOM 322 OD1 ASP A 317 6.453 1.822 -1.604 1.00 15.00 O1- ATOM 323 OD2 ASP A 317 5.903 1.374 -3.676 1.00 15.00 O ATOM 0 H ASP A 317 3.915 2.890 -3.615 1.00 15.00 H new ATOM 0 HA ASP A 317 5.128 4.839 -1.835 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.581 3.714 -4.183 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.157 4.060 -2.564 1.00 15.00 H new ATOM 328 N HIS A 318 5.098 6.800 -3.449 1.00 15.00 N ATOM 329 CA HIS A 318 5.142 7.913 -4.380 1.00 15.00 C ATOM 330 C HIS A 318 6.507 7.963 -5.052 1.00 15.00 C ATOM 331 O HIS A 318 6.695 8.644 -6.057 1.00 15.00 O ATOM 332 CB HIS A 318 4.832 9.245 -3.688 1.00 15.00 C ATOM 333 CG HIS A 318 3.397 9.411 -3.264 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.363 8.608 -3.703 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.834 10.312 -2.426 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.235 9.011 -3.153 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.487 10.043 -2.369 1.00 15.00 N ATOM 0 H HIS A 318 5.150 7.064 -2.465 1.00 15.00 H new ATOM 0 HA HIS A 318 4.372 7.756 -5.135 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.470 9.340 -2.810 1.00 15.00 H new ATOM 0 HB3 HIS A 318 5.095 10.060 -4.363 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.457 7.826 -4.351 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.350 11.100 -1.897 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.263 8.569 -3.317 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.799 10.554 -1.815 1.00 15.00 H new ATOM 346 N ASN A 319 7.457 7.233 -4.474 1.00 15.00 N ATOM 347 CA ASN A 319 8.797 7.121 -5.038 1.00 15.00 C ATOM 348 C ASN A 319 8.770 6.302 -6.324 1.00 15.00 C ATOM 349 O ASN A 319 9.233 6.752 -7.370 1.00 15.00 O ATOM 350 CB ASN A 319 9.753 6.449 -4.044 1.00 15.00 C ATOM 351 CG ASN A 319 9.908 7.213 -2.744 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.800 8.439 -2.707 1.00 15.00 O ATOM 353 ND2 ASN A 319 10.167 6.490 -1.668 1.00 15.00 N ATOM 0 H ASN A 319 7.321 6.708 -3.610 1.00 15.00 H new ATOM 0 HA ASN A 319 9.149 8.130 -5.253 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.390 5.445 -3.825 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.732 6.339 -4.511 1.00 15.00 H new ATOM 0 HD21 ASN A 319 10.285 6.946 -0.763 1.00 15.00 H new ATOM 0 HD22 ASN A 319 10.249 5.476 -1.742 1.00 15.00 H new ATOM 360 N ASN A 320 8.225 5.091 -6.233 1.00 15.00 N ATOM 361 CA ASN A 320 8.224 4.163 -7.362 1.00 15.00 C ATOM 362 C ASN A 320 6.907 4.231 -8.134 1.00 15.00 C ATOM 363 O ASN A 320 6.806 3.730 -9.251 1.00 15.00 O ATOM 364 CB ASN A 320 8.456 2.730 -6.871 1.00 15.00 C ATOM 365 CG ASN A 320 8.819 1.774 -7.994 1.00 15.00 C ATOM 366 OD1 ASN A 320 8.365 0.627 -8.021 1.00 15.00 O ATOM 367 ND2 ASN A 320 9.672 2.221 -8.905 1.00 15.00 N ATOM 0 H ASN A 320 7.779 4.729 -5.390 1.00 15.00 H new ATOM 0 HA ASN A 320 9.033 4.454 -8.032 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.254 2.730 -6.128 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.556 2.372 -6.372 1.00 15.00 H new ATOM 0 HD21 ASN A 320 9.975 1.610 -9.663 1.00 15.00 H new ATOM 0 HD22 ASN A 320 10.025 3.176 -8.848 1.00 15.00 H new ATOM 374 N ARG A 321 5.902 4.846 -7.513 1.00 15.00 N ATOM 375 CA ARG A 321 4.553 4.931 -8.079 1.00 15.00 C ATOM 376 C ARG A 321 3.916 3.549 -8.185 1.00 15.00 C ATOM 377 O ARG A 321 3.231 3.240 -9.160 1.00 15.00 O ATOM 378 CB ARG A 321 4.558 5.625 -9.444 1.00 15.00 C ATOM 379 CG ARG A 321 4.912 7.101 -9.374 1.00 15.00 C ATOM 380 CD ARG A 321 4.621 7.797 -10.688 1.00 15.00 C ATOM 381 NE ARG A 321 3.197 7.751 -11.030 1.00 15.00 N ATOM 382 CZ ARG A 321 2.637 8.502 -11.974 1.00 15.00 C ATOM 383 NH1 ARG A 321 3.376 9.340 -12.684 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 1.337 8.411 -12.220 1.00 15.00 N ATOM 0 H ARG A 321 5.998 5.299 -6.604 1.00 15.00 H new ATOM 0 HA ARG A 321 3.954 5.536 -7.399 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.270 5.120 -10.097 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.574 5.517 -9.901 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.344 7.576 -8.574 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.967 7.213 -9.126 1.00 15.00 H new ATOM 0 HD2 ARG A 321 4.946 8.836 -10.628 1.00 15.00 H new ATOM 0 HD3 ARG A 321 5.200 7.327 -11.483 1.00 15.00 H new ATOM 0 HE ARG A 321 2.600 7.105 -10.514 1.00 15.00 H new ATOM 0 HH11 ARG A 321 4.378 9.411 -12.508 1.00 15.00 H new ATOM 0 HH12 ARG A 321 2.943 9.914 -13.407 1.00 15.00 H new ATOM 0 HH21 ARG A 321 0.761 7.762 -11.684 1.00 15.00 H new ATOM 0 HH22 ARG A 321 0.913 8.990 -12.945 1.00 15.00 H new ATOM 398 N THR A 322 4.091 2.753 -7.144 1.00 15.00 N ATOM 399 CA THR A 322 3.576 1.385 -7.134 1.00 15.00 C ATOM 400 C THR A 322 2.789 1.118 -5.850 1.00 15.00 C ATOM 401 O THR A 322 3.053 1.745 -4.828 1.00 15.00 O ATOM 402 CB THR A 322 4.728 0.364 -7.280 1.00 15.00 C ATOM 403 OG1 THR A 322 5.508 0.681 -8.443 1.00 15.00 O ATOM 404 CG2 THR A 322 4.196 -1.056 -7.409 1.00 15.00 C ATOM 0 H THR A 322 4.584 3.025 -6.294 1.00 15.00 H new ATOM 0 HA THR A 322 2.904 1.269 -7.985 1.00 15.00 H new ATOM 0 HB THR A 322 5.345 0.422 -6.384 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.461 0.643 -8.218 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.031 -1.750 -7.510 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.618 -1.310 -6.520 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.557 -1.127 -8.289 1.00 15.00 H new ATOM 412 N THR A 323 1.789 0.236 -5.913 1.00 15.00 N ATOM 413 CA THR A 323 1.039 -0.129 -4.720 1.00 15.00 C ATOM 414 C THR A 323 1.597 -1.428 -4.119 1.00 15.00 C ATOM 415 O THR A 323 1.876 -2.390 -4.840 1.00 15.00 O ATOM 416 CB THR A 323 -0.479 -0.258 -4.994 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.189 -0.409 -3.761 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.803 -1.433 -5.895 1.00 15.00 C ATOM 0 H THR A 323 1.486 -0.231 -6.768 1.00 15.00 H new ATOM 0 HA THR A 323 1.161 0.679 -3.999 1.00 15.00 H new ATOM 0 HB THR A 323 -0.789 0.655 -5.503 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.916 -1.056 -3.879 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.880 -1.481 -6.057 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.297 -1.308 -6.852 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.466 -2.356 -5.424 1.00 15.00 H new ATOM 426 N GLN A 324 1.760 -1.449 -2.803 1.00 15.00 N ATOM 427 CA GLN A 324 2.487 -2.513 -2.137 1.00 15.00 C ATOM 428 C GLN A 324 1.608 -3.270 -1.151 1.00 15.00 C ATOM 429 O GLN A 324 1.410 -2.818 -0.033 1.00 15.00 O ATOM 430 CB GLN A 324 3.681 -1.926 -1.370 1.00 15.00 C ATOM 431 CG GLN A 324 4.636 -1.111 -2.222 1.00 15.00 C ATOM 432 CD GLN A 324 5.411 -1.959 -3.214 1.00 15.00 C ATOM 433 OE1 GLN A 324 4.972 -2.180 -4.342 1.00 15.00 O ATOM 434 NE2 GLN A 324 6.572 -2.441 -2.802 1.00 15.00 N ATOM 0 H GLN A 324 1.394 -0.734 -2.174 1.00 15.00 H new ATOM 0 HA GLN A 324 2.824 -3.206 -2.908 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.305 -1.296 -0.564 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.235 -2.742 -0.905 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.074 -0.350 -2.763 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.338 -0.587 -1.573 1.00 15.00 H new ATOM 0 HE21 GLN A 324 6.904 -2.236 -1.859 1.00 15.00 H new ATOM 0 HE22 GLN A 324 7.136 -3.017 -3.427 1.00 15.00 H new ATOM 443 N PHE A 325 1.066 -4.408 -1.571 1.00 15.00 N ATOM 444 CA PHE A 325 0.460 -5.349 -0.624 1.00 15.00 C ATOM 445 C PHE A 325 1.548 -6.022 0.161 1.00 15.00 C ATOM 446 O PHE A 325 1.313 -6.769 1.107 1.00 15.00 O ATOM 447 CB PHE A 325 -0.418 -6.385 -1.299 1.00 15.00 C ATOM 448 CG PHE A 325 -1.852 -5.992 -1.251 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.360 -5.343 -0.131 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.690 -6.252 -2.319 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.685 -4.962 -0.099 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.016 -5.876 -2.281 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.514 -5.228 -1.172 1.00 15.00 C ATOM 0 H PHE A 325 1.031 -4.703 -2.547 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.192 -4.778 0.038 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.107 -6.508 -2.336 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.287 -7.350 -0.810 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.718 -5.138 0.713 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.302 -6.755 -3.192 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.077 -4.453 0.769 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.663 -6.089 -3.119 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.551 -4.928 -1.141 1.00 15.00 H new ATOM 463 N THR A 326 2.739 -5.773 -0.305 1.00 15.00 N ATOM 464 CA THR A 326 3.932 -6.244 0.357 1.00 15.00 C ATOM 465 C THR A 326 4.266 -5.194 1.409 1.00 15.00 C ATOM 466 O THR A 326 4.974 -4.215 1.150 1.00 15.00 O ATOM 467 CB THR A 326 5.110 -6.462 -0.636 1.00 15.00 C ATOM 468 OG1 THR A 326 6.315 -6.801 0.069 1.00 15.00 O ATOM 469 CG2 THR A 326 5.352 -5.238 -1.509 1.00 15.00 C ATOM 0 H THR A 326 2.915 -5.238 -1.155 1.00 15.00 H new ATOM 0 HA THR A 326 3.765 -7.221 0.810 1.00 15.00 H new ATOM 0 HB THR A 326 4.828 -7.290 -1.286 1.00 15.00 H new ATOM 0 HG1 THR A 326 7.043 -6.935 -0.573 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.183 -5.433 -2.187 1.00 15.00 H new ATOM 0 HG22 THR A 326 4.454 -5.021 -2.088 1.00 15.00 H new ATOM 0 HG23 THR A 326 5.593 -4.383 -0.878 1.00 15.00 H new ATOM 477 N ASP A 327 3.717 -5.372 2.591 1.00 15.00 N ATOM 478 CA ASP A 327 3.636 -4.293 3.534 1.00 15.00 C ATOM 479 C ASP A 327 4.535 -4.457 4.708 1.00 15.00 C ATOM 480 O ASP A 327 4.860 -5.556 5.162 1.00 15.00 O ATOM 481 CB ASP A 327 2.219 -4.045 4.026 1.00 15.00 C ATOM 482 CG ASP A 327 1.404 -5.306 4.256 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.009 -6.347 4.565 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.159 -5.242 4.186 1.00 15.00 O1- ATOM 0 H ASP A 327 3.322 -6.255 2.916 1.00 15.00 H new ATOM 0 HA ASP A 327 3.973 -3.425 2.968 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.265 -3.482 4.958 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.700 -3.419 3.300 1.00 15.00 H new ATOM 489 N PRO A 328 4.930 -3.306 5.219 1.00 15.00 N ATOM 490 CA PRO A 328 5.597 -3.200 6.491 1.00 15.00 C ATOM 491 C PRO A 328 4.624 -3.673 7.579 1.00 15.00 C ATOM 492 O PRO A 328 4.997 -3.921 8.723 1.00 15.00 O ATOM 493 CB PRO A 328 5.944 -1.700 6.590 1.00 15.00 C ATOM 494 CG PRO A 328 5.724 -1.154 5.204 1.00 15.00 C ATOM 495 CD PRO A 328 4.668 -1.996 4.613 1.00 15.00 C ATOM 0 HA PRO A 328 6.495 -3.808 6.604 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.308 -1.196 7.318 1.00 15.00 H new ATOM 0 HB3 PRO A 328 6.975 -1.554 6.912 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.419 -0.108 5.238 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.639 -1.200 4.614 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.671 -1.628 4.857 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.738 -2.031 3.526 1.00 15.00 H new ATOM 503 N ARG A 329 3.347 -3.769 7.179 1.00 15.00 N ATOM 504 CA ARG A 329 2.295 -4.364 7.991 1.00 15.00 C ATOM 505 C ARG A 329 2.542 -5.857 8.201 1.00 15.00 C ATOM 506 O ARG A 329 2.370 -6.364 9.309 1.00 15.00 O ATOM 507 CB ARG A 329 0.909 -4.129 7.353 1.00 15.00 C ATOM 508 CG ARG A 329 0.415 -2.703 7.533 1.00 15.00 C ATOM 509 CD ARG A 329 -0.296 -2.502 8.870 1.00 15.00 C ATOM 510 NE ARG A 329 0.524 -2.884 10.025 1.00 15.00 N ATOM 511 CZ ARG A 329 1.241 -2.026 10.754 1.00 15.00 C ATOM 512 NH1 ARG A 329 1.301 -0.743 10.418 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 1.901 -2.458 11.822 1.00 15.00 N ATOM 0 H ARG A 329 3.021 -3.430 6.274 1.00 15.00 H new ATOM 0 HA ARG A 329 2.311 -3.877 8.966 1.00 15.00 H new ATOM 0 HB2 ARG A 329 0.959 -4.360 6.289 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.189 -4.817 7.795 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.259 -2.017 7.466 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.266 -2.451 6.720 1.00 15.00 H new ATOM 0 HD2 ARG A 329 -0.583 -1.455 8.967 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -1.216 -3.087 8.876 1.00 15.00 H new ATOM 0 HE ARG A 329 0.548 -3.869 10.288 1.00 15.00 H new ATOM 0 HH11 ARG A 329 0.797 -0.407 9.598 1.00 15.00 H new ATOM 0 HH12 ARG A 329 1.851 -0.094 10.980 1.00 15.00 H new ATOM 0 HH21 ARG A 329 1.859 -3.443 12.083 1.00 15.00 H new ATOM 0 HH22 ARG A 329 2.450 -1.805 12.381 1.00 15.00 H new ATOM 527 N LEU A 330 2.943 -6.558 7.144 1.00 15.00 N ATOM 528 CA LEU A 330 3.280 -7.977 7.251 1.00 15.00 C ATOM 529 C LEU A 330 4.592 -8.157 8.004 1.00 15.00 C ATOM 530 O LEU A 330 4.940 -9.260 8.420 1.00 15.00 O ATOM 531 CB LEU A 330 3.376 -8.623 5.865 1.00 15.00 C ATOM 532 CG LEU A 330 3.565 -10.143 5.855 1.00 15.00 C ATOM 533 CD1 LEU A 330 2.380 -10.834 6.513 1.00 15.00 C ATOM 534 CD2 LEU A 330 3.750 -10.644 4.432 1.00 15.00 C ATOM 0 H LEU A 330 3.043 -6.170 6.206 1.00 15.00 H new ATOM 0 HA LEU A 330 2.483 -8.472 7.807 1.00 15.00 H new ATOM 0 HB2 LEU A 330 2.470 -8.384 5.309 1.00 15.00 H new ATOM 0 HB3 LEU A 330 4.209 -8.168 5.329 1.00 15.00 H new ATOM 0 HG LEU A 330 4.462 -10.383 6.426 1.00 15.00 H new ATOM 0 HD11 LEU A 330 2.533 -11.913 6.496 1.00 15.00 H new ATOM 0 HD12 LEU A 330 2.289 -10.496 7.545 1.00 15.00 H new ATOM 0 HD13 LEU A 330 1.468 -10.588 5.969 1.00 15.00 H new ATOM 0 HD21 LEU A 330 3.883 -11.726 4.442 1.00 15.00 H new ATOM 0 HD22 LEU A 330 2.870 -10.392 3.840 1.00 15.00 H new ATOM 0 HD23 LEU A 330 4.630 -10.174 3.992 1.00 15.00 H new ATOM 546 N SER A 331 5.329 -7.068 8.165 1.00 15.00 N ATOM 547 CA SER A 331 6.552 -7.096 8.947 1.00 15.00 C ATOM 548 C SER A 331 6.221 -7.035 10.435 1.00 15.00 C ATOM 549 O SER A 331 7.082 -7.244 11.288 1.00 15.00 O ATOM 550 CB SER A 331 7.462 -5.933 8.550 1.00 15.00 C ATOM 551 OG SER A 331 7.681 -5.924 7.147 1.00 15.00 O ATOM 0 H SER A 331 5.101 -6.158 7.765 1.00 15.00 H new ATOM 0 HA SER A 331 7.080 -8.028 8.746 1.00 15.00 H new ATOM 0 HB2 SER A 331 7.011 -4.990 8.859 1.00 15.00 H new ATOM 0 HB3 SER A 331 8.416 -6.016 9.072 1.00 15.00 H new ATOM 0 HG SER A 331 8.264 -5.172 6.912 1.00 15.00 H new ATOM 557 N ALA A 332 4.964 -6.729 10.733 1.00 15.00 N ATOM 558 CA ALA A 332 4.482 -6.716 12.107 1.00 15.00 C ATOM 559 C ALA A 332 3.550 -7.898 12.353 1.00 15.00 C ATOM 560 O ALA A 332 3.611 -8.533 13.404 1.00 15.00 O ATOM 561 CB ALA A 332 3.770 -5.405 12.409 1.00 15.00 C ATOM 0 H ALA A 332 4.258 -6.486 10.038 1.00 15.00 H new ATOM 0 HA ALA A 332 5.338 -6.805 12.776 1.00 15.00 H new ATOM 0 HB1 ALA A 332 3.416 -5.412 13.440 1.00 15.00 H new ATOM 0 HB2 ALA A 332 4.462 -4.574 12.269 1.00 15.00 H new ATOM 0 HB3 ALA A 332 2.921 -5.288 11.735 1.00 15.00 H new ATOM 567 N ASN A 333 2.689 -8.172 11.371 1.00 15.00 N ATOM 568 CA ASN A 333 1.761 -9.303 11.414 1.00 15.00 C ATOM 569 C ASN A 333 0.719 -9.117 12.514 1.00 15.00 C ATOM 570 O ASN A 333 0.898 -9.664 13.622 1.00 15.00 O ATOM 571 CB ASN A 333 2.515 -10.625 11.600 1.00 15.00 C ATOM 572 CG ASN A 333 1.616 -11.844 11.465 1.00 15.00 C ATOM 573 OD1 ASN A 333 0.587 -11.742 10.637 1.00 15.00 O flip ATOM 574 ND2 ASN A 333 1.855 -12.876 12.093 1.00 15.00 N flip ATOM 575 OXT ASN A 333 -0.282 -8.411 12.256 1.00 15.00 O ATOM 0 H ASN A 333 2.616 -7.613 10.521 1.00 15.00 H new ATOM 0 HA ASN A 333 1.239 -9.341 10.458 1.00 15.00 H new ATOM 0 HB2 ASN A 333 3.316 -10.687 10.863 1.00 15.00 H new ATOM 0 HB3 ASN A 333 2.985 -10.634 12.583 1.00 15.00 H new ATOM 0 HD21 ASN A 333 2.657 -12.916 12.722 1.00 15.00 H new ATOM 0 HD22 ASN A 333 1.251 -13.691 11.985 1.00 15.00 H new TER 582 ASN A 333 ATOM 583 N GLU B 203 2.335 -8.234 -7.433 1.00 15.00 N ATOM 584 CA GLU B 203 2.729 -8.879 -6.158 1.00 15.00 C ATOM 585 C GLU B 203 2.443 -10.373 -6.200 1.00 15.00 C ATOM 586 O GLU B 203 1.808 -10.863 -7.134 1.00 15.00 O ATOM 587 CB GLU B 203 1.984 -8.237 -4.980 1.00 15.00 C ATOM 588 CG GLU B 203 2.385 -6.797 -4.733 1.00 15.00 C ATOM 589 CD GLU B 203 3.887 -6.625 -4.714 1.00 15.00 C ATOM 590 OE1 GLU B 203 4.538 -7.175 -3.805 1.00 15.00 O ATOM 591 OE2 GLU B 203 4.418 -5.956 -5.621 1.00 15.00 O1- ATOM 0 HA GLU B 203 3.800 -8.733 -6.021 1.00 15.00 H new ATOM 0 HB2 GLU B 203 0.911 -8.281 -5.169 1.00 15.00 H new ATOM 0 HB3 GLU B 203 2.173 -8.820 -4.078 1.00 15.00 H new ATOM 0 HG2 GLU B 203 1.957 -6.163 -5.509 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.969 -6.462 -3.783 1.00 15.00 H new ATOM 600 N LEU B 204 2.916 -11.093 -5.185 1.00 15.00 N ATOM 601 CA LEU B 204 2.663 -12.523 -5.081 1.00 15.00 C ATOM 602 C LEU B 204 1.204 -12.749 -4.698 1.00 15.00 C ATOM 603 O LEU B 204 0.618 -13.793 -4.984 1.00 15.00 O ATOM 604 CB LEU B 204 3.623 -13.157 -4.058 1.00 15.00 C ATOM 605 CG LEU B 204 3.673 -14.692 -4.030 1.00 15.00 C ATOM 606 CD1 LEU B 204 5.039 -15.160 -3.559 1.00 15.00 C ATOM 607 CD2 LEU B 204 2.596 -15.260 -3.117 1.00 15.00 C ATOM 0 H LEU B 204 3.476 -10.707 -4.425 1.00 15.00 H new ATOM 0 HA LEU B 204 2.844 -13.004 -6.042 1.00 15.00 H new ATOM 0 HB2 LEU B 204 4.628 -12.786 -4.257 1.00 15.00 H new ATOM 0 HB3 LEU B 204 3.344 -12.806 -3.064 1.00 15.00 H new ATOM 0 HG LEU B 204 3.492 -15.053 -5.042 1.00 15.00 H new ATOM 0 HD11 LEU B 204 5.065 -16.250 -3.542 1.00 15.00 H new ATOM 0 HD12 LEU B 204 5.805 -14.789 -4.240 1.00 15.00 H new ATOM 0 HD13 LEU B 204 5.229 -14.777 -2.556 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.656 -16.348 -3.117 1.00 15.00 H new ATOM 0 HD22 LEU B 204 2.745 -14.889 -2.103 1.00 15.00 H new ATOM 0 HD23 LEU B 204 1.614 -14.950 -3.476 1.00 15.00 H new ATOM 619 N GLU B 205 0.630 -11.751 -4.045 1.00 15.00 N ATOM 620 CA GLU B 205 -0.785 -11.756 -3.717 1.00 15.00 C ATOM 621 C GLU B 205 -1.572 -11.162 -4.885 1.00 15.00 C ATOM 622 O GLU B 205 -0.995 -10.506 -5.754 1.00 15.00 O ATOM 623 CB GLU B 205 -1.019 -10.956 -2.425 1.00 15.00 C ATOM 624 CG GLU B 205 -2.468 -10.927 -1.951 1.00 15.00 C ATOM 625 CD GLU B 205 -3.075 -12.310 -1.803 1.00 15.00 C ATOM 626 OE1 GLU B 205 -2.919 -12.918 -0.728 1.00 15.00 O1- ATOM 627 OE2 GLU B 205 -3.721 -12.786 -2.763 1.00 15.00 O ATOM 0 H GLU B 205 1.129 -10.919 -3.729 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.129 -12.777 -3.550 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -0.400 -11.379 -1.634 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -0.681 -9.932 -2.581 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.520 -10.410 -0.993 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -3.064 -10.349 -2.658 1.00 15.00 H new ATOM 634 N SER B 206 -2.877 -11.404 -4.897 1.00 15.00 N ATOM 635 CA SER B 206 -3.767 -10.889 -5.929 1.00 15.00 C ATOM 636 C SER B 206 -3.591 -9.397 -6.173 1.00 15.00 C ATOM 637 O SER B 206 -3.154 -8.640 -5.302 1.00 15.00 O ATOM 638 CB SER B 206 -5.214 -11.194 -5.578 1.00 15.00 C ATOM 639 OG SER B 206 -5.418 -11.256 -4.174 1.00 15.00 O ATOM 0 H SER B 206 -3.349 -11.965 -4.188 1.00 15.00 H new ATOM 0 HA SER B 206 -3.499 -11.396 -6.856 1.00 15.00 H new ATOM 0 HB2 SER B 206 -5.860 -10.427 -6.005 1.00 15.00 H new ATOM 0 HB3 SER B 206 -5.504 -12.143 -6.029 1.00 15.00 H new ATOM 0 HG SER B 206 -5.006 -12.071 -3.819 1.00 15.00 H new ATOM 645 N PRO B 207 -3.990 -8.988 -7.378 1.00 15.00 N ATOM 646 CA PRO B 207 -3.796 -7.636 -7.895 1.00 15.00 C ATOM 647 C PRO B 207 -4.334 -6.564 -6.950 1.00 15.00 C ATOM 648 O PRO B 207 -5.527 -6.542 -6.638 1.00 15.00 O ATOM 649 CB PRO B 207 -4.582 -7.627 -9.216 1.00 15.00 C ATOM 650 CG PRO B 207 -5.388 -8.886 -9.233 1.00 15.00 C ATOM 651 CD PRO B 207 -4.698 -9.851 -8.314 1.00 15.00 C ATOM 0 HA PRO B 207 -2.738 -7.405 -8.016 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.228 -6.751 -9.278 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -3.906 -7.586 -10.070 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.409 -8.697 -8.900 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -5.452 -9.291 -10.243 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.411 -10.497 -7.802 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.012 -10.501 -8.857 1.00 15.00 H new ATOM 659 N PRO B 208 -3.457 -5.664 -6.478 1.00 15.00 N ATOM 660 CA PRO B 208 -3.841 -4.583 -5.582 1.00 15.00 C ATOM 661 C PRO B 208 -4.449 -3.398 -6.333 1.00 15.00 C ATOM 662 O PRO B 208 -4.373 -3.322 -7.562 1.00 15.00 O ATOM 663 CB PRO B 208 -2.518 -4.180 -4.903 1.00 15.00 C ATOM 664 CG PRO B 208 -1.457 -5.064 -5.481 1.00 15.00 C ATOM 665 CD PRO B 208 -2.018 -5.640 -6.750 1.00 15.00 C ATOM 0 HA PRO B 208 -4.610 -4.895 -4.875 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.291 -3.130 -5.088 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.582 -4.307 -3.822 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.548 -4.497 -5.682 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -1.190 -5.856 -4.781 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.779 -5.023 -7.616 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.626 -6.637 -6.951 1.00 15.00 H new ATOM 673 N PRO B 209 -5.065 -2.465 -5.585 1.00 15.00 N ATOM 674 CA PRO B 209 -5.696 -1.263 -6.145 1.00 15.00 C ATOM 675 C PRO B 209 -4.795 -0.513 -7.133 1.00 15.00 C ATOM 676 O PRO B 209 -3.607 -0.315 -6.871 1.00 15.00 O ATOM 677 CB PRO B 209 -5.939 -0.379 -4.916 1.00 15.00 C ATOM 678 CG PRO B 209 -5.886 -1.271 -3.724 1.00 15.00 C ATOM 679 CD PRO B 209 -5.219 -2.553 -4.125 1.00 15.00 C ATOM 0 HA PRO B 209 -6.593 -1.521 -6.707 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -5.183 0.403 -4.847 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.907 0.118 -4.983 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.333 -0.792 -2.916 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.891 -1.466 -3.351 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.253 -2.665 -3.633 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.822 -3.416 -3.844 1.00 15.00 H new ATOM 687 N PRO B 210 -5.361 -0.080 -8.280 1.00 15.00 N ATOM 688 CA PRO B 210 -4.640 0.717 -9.289 1.00 15.00 C ATOM 689 C PRO B 210 -3.986 1.949 -8.673 1.00 15.00 C ATOM 690 O PRO B 210 -4.491 2.499 -7.690 1.00 15.00 O ATOM 691 CB PRO B 210 -5.745 1.130 -10.266 1.00 15.00 C ATOM 692 CG PRO B 210 -6.786 0.079 -10.124 1.00 15.00 C ATOM 693 CD PRO B 210 -6.755 -0.339 -8.682 1.00 15.00 C ATOM 0 HA PRO B 210 -3.829 0.160 -9.757 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -6.141 2.116 -10.022 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.371 1.181 -11.288 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.769 0.463 -10.398 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.580 -0.766 -10.780 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.460 0.237 -8.082 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -7.019 -1.390 -8.563 1.00 15.00 H new ATOM 701 N TYR B 211 -2.888 2.417 -9.260 1.00 15.00 N ATOM 702 CA TYR B 211 -2.107 3.459 -8.617 1.00 15.00 C ATOM 703 C TYR B 211 -2.719 4.841 -8.791 1.00 15.00 C ATOM 704 O TYR B 211 -2.479 5.540 -9.778 1.00 15.00 O ATOM 705 CB TYR B 211 -0.648 3.477 -9.079 1.00 15.00 C ATOM 706 CG TYR B 211 0.223 4.365 -8.209 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.482 4.018 -6.890 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.779 5.545 -8.694 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.270 4.813 -6.083 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.569 6.348 -7.886 1.00 15.00 C ATOM 711 CZ TYR B 211 1.809 5.973 -6.583 1.00 15.00 C ATOM 712 OH TYR B 211 2.606 6.757 -5.779 1.00 15.00 O ATOM 0 H TYR B 211 -2.528 2.098 -10.159 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.123 3.209 -7.556 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.253 2.461 -9.067 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.601 3.825 -10.111 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.059 3.109 -6.488 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.592 5.840 -9.716 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.462 4.524 -5.060 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.993 7.261 -8.276 1.00 15.00 H new ATOM 0 HH TYR B 211 3.395 6.246 -5.502 1.00 15.00 H new ATOM 722 N SER B 212 -3.563 5.179 -7.849 1.00 15.00 N ATOM 723 CA SER B 212 -3.940 6.546 -7.581 1.00 15.00 C ATOM 724 C SER B 212 -3.250 6.916 -6.281 1.00 15.00 C ATOM 725 O SER B 212 -3.024 6.024 -5.460 1.00 15.00 O ATOM 726 CB SER B 212 -5.462 6.661 -7.471 1.00 15.00 C ATOM 727 OG SER B 212 -5.997 5.599 -6.698 1.00 15.00 O ATOM 0 H SER B 212 -4.016 4.501 -7.236 1.00 15.00 H new ATOM 0 HA SER B 212 -3.640 7.223 -8.381 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.726 7.616 -7.016 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.904 6.649 -8.467 1.00 15.00 H new ATOM 0 HG SER B 212 -6.971 5.695 -6.640 1.00 15.00 H new ATOM 733 N ARG B 213 -2.902 8.183 -6.070 1.00 15.00 N ATOM 734 CA ARG B 213 -2.078 8.524 -4.909 1.00 15.00 C ATOM 735 C ARG B 213 -2.817 8.108 -3.645 1.00 15.00 C ATOM 736 O ARG B 213 -2.233 7.524 -2.735 1.00 15.00 O ATOM 737 CB ARG B 213 -1.768 10.029 -4.807 1.00 15.00 C ATOM 738 CG ARG B 213 -1.691 10.781 -6.123 1.00 15.00 C ATOM 739 CD ARG B 213 -0.662 10.192 -7.082 1.00 15.00 C ATOM 740 NE ARG B 213 -0.726 10.835 -8.395 1.00 15.00 N ATOM 741 CZ ARG B 213 0.336 11.235 -9.099 1.00 15.00 C ATOM 742 NH1 ARG B 213 1.568 11.006 -8.653 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 0.159 11.856 -10.256 1.00 15.00 N ATOM 0 H ARG B 213 -3.166 8.969 -6.664 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.131 7.997 -5.025 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.534 10.497 -4.188 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -0.818 10.150 -4.286 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -2.671 10.772 -6.599 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.442 11.824 -5.926 1.00 15.00 H new ATOM 0 HD2 ARG B 213 0.338 10.313 -6.664 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.835 9.121 -7.191 1.00 15.00 H new ATOM 0 HE ARG B 213 -1.649 10.989 -8.802 1.00 15.00 H new ATOM 0 HH11 ARG B 213 1.708 10.521 -7.766 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.373 11.315 -9.198 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -0.784 12.026 -10.604 1.00 15.00 H new ATOM 0 HH22 ARG B 213 0.966 12.164 -10.798 1.00 15.00 H new ATOM 757 N TYR B 214 -4.095 8.450 -3.589 1.00 15.00 N ATOM 758 CA TYR B 214 -4.959 8.016 -2.506 1.00 15.00 C ATOM 759 C TYR B 214 -6.120 7.214 -3.065 1.00 15.00 C ATOM 760 O TYR B 214 -7.147 7.763 -3.464 1.00 15.00 O ATOM 761 CB TYR B 214 -5.427 9.227 -1.688 1.00 15.00 C ATOM 762 CG TYR B 214 -4.275 10.148 -1.355 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.815 11.069 -2.289 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.611 10.055 -0.143 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.726 11.866 -2.028 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.526 10.861 0.135 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.083 11.762 -0.810 1.00 15.00 C ATOM 768 OH TYR B 214 -0.982 12.540 -0.538 1.00 15.00 O ATOM 0 H TYR B 214 -4.558 9.031 -4.288 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.406 7.364 -1.829 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.183 9.776 -2.249 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.899 8.885 -0.767 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.323 11.160 -3.238 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.947 9.342 0.595 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.376 12.568 -2.770 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.026 10.786 1.089 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.227 11.965 -0.293 1.00 15.00 H new ATOM 778 N PRO B 215 -5.918 5.900 -3.171 1.00 15.00 N ATOM 779 CA PRO B 215 -6.913 4.977 -3.706 1.00 15.00 C ATOM 780 C PRO B 215 -7.984 4.620 -2.684 1.00 15.00 C ATOM 781 O PRO B 215 -7.700 3.979 -1.681 1.00 15.00 O ATOM 782 CB PRO B 215 -6.080 3.747 -4.070 1.00 15.00 C ATOM 783 CG PRO B 215 -4.910 3.782 -3.140 1.00 15.00 C ATOM 784 CD PRO B 215 -4.671 5.218 -2.785 1.00 15.00 C ATOM 0 HA PRO B 215 -7.462 5.403 -4.546 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.656 2.830 -3.946 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.758 3.782 -5.111 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.111 3.193 -2.245 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.028 3.351 -3.614 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.466 5.336 -1.721 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.813 5.623 -3.322 1.00 15.00 H new ATOM 792 N MET B 216 -9.209 5.059 -2.925 1.00 15.00 N ATOM 793 CA MET B 216 -10.307 4.768 -2.013 1.00 15.00 C ATOM 794 C MET B 216 -10.675 3.292 -2.067 1.00 15.00 C ATOM 795 O MET B 216 -11.335 2.842 -3.008 1.00 15.00 O ATOM 796 CB MET B 216 -11.525 5.639 -2.320 1.00 15.00 C ATOM 797 CG MET B 216 -11.333 7.100 -1.948 1.00 15.00 C ATOM 798 SD MET B 216 -12.785 8.107 -2.309 1.00 15.00 S ATOM 799 CE MET B 216 -12.273 9.682 -1.631 1.00 15.00 C ATOM 0 H MET B 216 -9.469 5.615 -3.740 1.00 15.00 H new ATOM 0 HA MET B 216 -9.973 5.003 -1.002 1.00 15.00 H new ATOM 0 HB2 MET B 216 -11.753 5.570 -3.384 1.00 15.00 H new ATOM 0 HB3 MET B 216 -12.388 5.246 -1.783 1.00 15.00 H new ATOM 0 HG2 MET B 216 -11.101 7.173 -0.886 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.475 7.499 -2.490 1.00 15.00 H new ATOM 0 HE1 MET B 216 -13.066 10.416 -1.776 1.00 15.00 H new ATOM 0 HE2 MET B 216 -12.071 9.571 -0.566 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.369 10.020 -2.138 1.00 15.00 H new ATOM 809 N ASP B 217 -10.211 2.557 -1.057 1.00 15.00 N ATOM 810 CA ASP B 217 -10.388 1.106 -0.971 1.00 15.00 C ATOM 811 C ASP B 217 -9.812 0.417 -2.199 1.00 15.00 C ATOM 812 O ASP B 217 -10.569 -0.284 -2.908 1.00 15.00 O ATOM 813 CB ASP B 217 -11.864 0.732 -0.794 1.00 15.00 C ATOM 814 CG ASP B 217 -12.379 1.045 0.594 1.00 15.00 C ATOM 815 OD1 ASP B 217 -12.809 2.191 0.830 1.00 15.00 O1- ATOM 816 OD2 ASP B 217 -12.353 0.145 1.461 1.00 15.00 O ATOM 817 OXT ASP B 217 -8.602 0.595 -2.462 1.00 15.00 O ATOM 0 H ASP B 217 -9.698 2.953 -0.270 1.00 15.00 H new ATOM 0 HA ASP B 217 -9.845 0.761 -0.091 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -12.462 1.269 -1.530 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -11.992 -0.332 -0.994 1.00 15.00 H new TER 822 ASP B 217