USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=12 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 324 GLN : amide:sc=-0.00875 X(o=0.0097,f=-0.28) USER MOD Set 1.2: A 326 THR OG1 : rot 180:sc= 0.0185 USER MOD Set 2.1: A 320 ASN : amide:sc= 0.0563 K(o=1.2,f=-0.81) USER MOD Set 2.2: A 322 THR OG1 : rot 140:sc= 1.15 USER MOD Set 3.1: A 318 HIS : +bothHN:sc= -2.75! C(o=-4!,f=-16!) USER MOD Set 3.2: B 211 TYR OH : rot 56:sc= -1.26! USER MOD Single : A 307 ASN : amide:sc= -0.189 K(o=-0.19,f=-4.9!) USER MOD Single : A 308 THR OG1 : rot -71:sc= -0.423 USER MOD Single : A 310 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 TYR OH : rot -165:sc= 1.09 USER MOD Single : A 319 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 323 THR OG1 : rot -150:sc= -1.36 USER MOD Single : A 331 SER OG : rot -31:sc= 0.329 USER MOD Single : A 333 ASN : amide:sc= 0.598 K(o=0.6,f=-2.8!) USER MOD Single : B 206 SER OG : rot -79:sc= 1.54 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot -124:sc= 0.828 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 297 6.768 8.610 14.031 1.00 15.00 N ATOM 2 CA GLY A 297 5.780 7.706 13.396 1.00 15.00 C ATOM 3 C GLY A 297 6.442 6.499 12.767 1.00 15.00 C ATOM 4 O GLY A 297 7.583 6.583 12.310 1.00 15.00 O ATOM 0 HA2 GLY A 297 5.058 7.376 14.143 1.00 15.00 H new ATOM 0 HA3 GLY A 297 5.224 8.253 12.635 1.00 15.00 H new ATOM 10 N PRO A 298 5.756 5.345 12.737 1.00 15.00 N ATOM 11 CA PRO A 298 6.282 4.132 12.111 1.00 15.00 C ATOM 12 C PRO A 298 6.155 4.164 10.590 1.00 15.00 C ATOM 13 O PRO A 298 6.592 3.243 9.897 1.00 15.00 O ATOM 14 CB PRO A 298 5.409 3.028 12.704 1.00 15.00 C ATOM 15 CG PRO A 298 4.106 3.692 12.993 1.00 15.00 C ATOM 16 CD PRO A 298 4.423 5.125 13.336 1.00 15.00 C ATOM 0 HA PRO A 298 7.347 3.998 12.300 1.00 15.00 H new ATOM 0 HB2 PRO A 298 5.286 2.201 12.004 1.00 15.00 H new ATOM 0 HB3 PRO A 298 5.853 2.615 13.610 1.00 15.00 H new ATOM 0 HG2 PRO A 298 3.443 3.637 12.130 1.00 15.00 H new ATOM 0 HG3 PRO A 298 3.594 3.199 13.820 1.00 15.00 H new ATOM 0 HD2 PRO A 298 3.681 5.809 12.923 1.00 15.00 H new ATOM 0 HD3 PRO A 298 4.438 5.284 14.414 1.00 15.00 H new ATOM 24 N LEU A 299 5.536 5.221 10.085 1.00 15.00 N ATOM 25 CA LEU A 299 5.377 5.412 8.654 1.00 15.00 C ATOM 26 C LEU A 299 6.435 6.375 8.130 1.00 15.00 C ATOM 27 O LEU A 299 6.541 7.509 8.607 1.00 15.00 O ATOM 28 CB LEU A 299 3.982 5.964 8.344 1.00 15.00 C ATOM 29 CG LEU A 299 3.670 6.151 6.856 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.543 4.801 6.163 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.403 6.971 6.676 1.00 15.00 C ATOM 0 H LEU A 299 5.132 5.966 10.653 1.00 15.00 H new ATOM 0 HA LEU A 299 5.497 4.447 8.162 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.239 5.291 8.773 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.869 6.925 8.846 1.00 15.00 H new ATOM 0 HG LEU A 299 4.495 6.694 6.396 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.321 4.954 5.107 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.479 4.252 6.262 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.737 4.230 6.624 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.197 7.094 5.613 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.567 6.458 7.151 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.535 7.951 7.135 1.00 15.00 H new ATOM 43 N PRO A 300 7.236 5.938 7.150 1.00 15.00 N ATOM 44 CA PRO A 300 8.239 6.792 6.505 1.00 15.00 C ATOM 45 C PRO A 300 7.578 7.895 5.671 1.00 15.00 C ATOM 46 O PRO A 300 6.587 7.648 4.986 1.00 15.00 O ATOM 47 CB PRO A 300 9.017 5.822 5.601 1.00 15.00 C ATOM 48 CG PRO A 300 8.628 4.452 6.051 1.00 15.00 C ATOM 49 CD PRO A 300 7.234 4.581 6.584 1.00 15.00 C ATOM 0 HA PRO A 300 8.874 7.306 7.227 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.764 5.976 4.552 1.00 15.00 H new ATOM 0 HB3 PRO A 300 10.092 5.975 5.696 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.667 3.743 5.224 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.308 4.084 6.819 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.487 4.470 5.798 1.00 15.00 H new ATOM 0 HD3 PRO A 300 7.017 3.826 7.340 1.00 15.00 H new ATOM 57 N PRO A 301 8.138 9.119 5.695 1.00 15.00 N ATOM 58 CA PRO A 301 7.537 10.297 5.041 1.00 15.00 C ATOM 59 C PRO A 301 7.445 10.180 3.518 1.00 15.00 C ATOM 60 O PRO A 301 6.760 10.969 2.867 1.00 15.00 O ATOM 61 CB PRO A 301 8.477 11.448 5.424 1.00 15.00 C ATOM 62 CG PRO A 301 9.274 10.938 6.578 1.00 15.00 C ATOM 63 CD PRO A 301 9.398 9.458 6.373 1.00 15.00 C ATOM 0 HA PRO A 301 6.505 10.431 5.366 1.00 15.00 H new ATOM 0 HB2 PRO A 301 9.123 11.722 4.590 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.915 12.341 5.698 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.256 11.411 6.613 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.779 11.161 7.523 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.266 9.205 5.764 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.505 8.926 7.318 1.00 15.00 H new ATOM 71 N GLY A 302 8.162 9.222 2.951 1.00 15.00 N ATOM 72 CA GLY A 302 8.103 8.991 1.517 1.00 15.00 C ATOM 73 C GLY A 302 7.073 7.938 1.158 1.00 15.00 C ATOM 74 O GLY A 302 6.691 7.786 -0.004 1.00 15.00 O ATOM 0 H GLY A 302 8.787 8.596 3.458 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.861 9.924 1.008 1.00 15.00 H new ATOM 0 HA3 GLY A 302 9.083 8.677 1.159 1.00 15.00 H new ATOM 78 N TRP A 303 6.641 7.206 2.170 1.00 15.00 N ATOM 79 CA TRP A 303 5.751 6.073 1.996 1.00 15.00 C ATOM 80 C TRP A 303 4.300 6.453 2.212 1.00 15.00 C ATOM 81 O TRP A 303 3.998 7.332 3.016 1.00 15.00 O ATOM 82 CB TRP A 303 6.118 4.984 2.979 1.00 15.00 C ATOM 83 CG TRP A 303 7.191 4.090 2.483 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.534 4.335 2.464 1.00 15.00 C ATOM 85 CD2 TRP A 303 7.007 2.795 1.926 1.00 15.00 C ATOM 86 NE1 TRP A 303 9.194 3.254 1.946 1.00 15.00 N ATOM 87 CE2 TRP A 303 8.273 2.301 1.610 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.893 1.996 1.669 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.450 1.053 1.058 1.00 15.00 C ATOM 90 CZ3 TRP A 303 6.084 0.754 1.120 1.00 15.00 C ATOM 91 CH2 TRP A 303 7.352 0.293 0.821 1.00 15.00 C ATOM 0 H TRP A 303 6.900 7.383 3.141 1.00 15.00 H new ATOM 0 HA TRP A 303 5.865 5.723 0.970 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.438 5.441 3.915 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.232 4.390 3.201 1.00 15.00 H new ATOM 0 HD1 TRP A 303 9.005 5.245 2.806 1.00 15.00 H new ATOM 0 HE1 TRP A 303 10.204 3.173 1.830 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.898 2.349 1.898 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.438 0.688 0.820 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 5.229 0.126 0.918 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.471 -0.690 0.391 1.00 15.00 H new ATOM 102 N GLU A 304 3.400 5.757 1.530 1.00 15.00 N ATOM 103 CA GLU A 304 1.970 6.035 1.690 1.00 15.00 C ATOM 104 C GLU A 304 1.217 4.752 2.028 1.00 15.00 C ATOM 105 O GLU A 304 1.246 3.794 1.271 1.00 15.00 O ATOM 106 CB GLU A 304 1.420 6.688 0.419 1.00 15.00 C ATOM 107 CG GLU A 304 1.952 8.091 0.182 1.00 15.00 C ATOM 108 CD GLU A 304 1.198 9.159 0.958 1.00 15.00 C ATOM 109 OE1 GLU A 304 1.210 9.121 2.202 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.595 10.048 0.312 1.00 15.00 O ATOM 0 H GLU A 304 3.623 5.010 0.872 1.00 15.00 H new ATOM 0 HA GLU A 304 1.828 6.731 2.517 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.670 6.063 -0.439 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.332 6.726 0.480 1.00 15.00 H new ATOM 0 HG2 GLU A 304 3.005 8.125 0.461 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.897 8.318 -0.883 1.00 15.00 H new ATOM 117 N ILE A 305 0.547 4.726 3.170 1.00 15.00 N ATOM 118 CA ILE A 305 -0.074 3.494 3.648 1.00 15.00 C ATOM 119 C ILE A 305 -1.601 3.540 3.551 1.00 15.00 C ATOM 120 O ILE A 305 -2.230 4.524 3.946 1.00 15.00 O ATOM 121 CB ILE A 305 0.335 3.187 5.112 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.348 1.905 5.605 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.006 4.360 6.025 1.00 15.00 C ATOM 124 CD1 ILE A 305 0.036 1.512 7.015 1.00 15.00 C ATOM 0 H ILE A 305 0.418 5.534 3.780 1.00 15.00 H new ATOM 0 HA ILE A 305 0.289 2.699 2.997 1.00 15.00 H new ATOM 0 HB ILE A 305 1.414 3.035 5.140 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.429 2.038 5.557 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.097 1.088 4.929 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.289 4.123 7.047 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.528 5.249 5.690 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.079 4.547 5.992 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.487 0.597 7.293 1.00 15.00 H new ATOM 0 HD12 ILE A 305 1.112 1.345 7.066 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.240 2.311 7.703 1.00 15.00 H new ATOM 136 N ARG A 306 -2.190 2.474 3.008 1.00 15.00 N ATOM 137 CA ARG A 306 -3.636 2.296 3.036 1.00 15.00 C ATOM 138 C ARG A 306 -3.999 0.827 3.185 1.00 15.00 C ATOM 139 O ARG A 306 -3.272 -0.055 2.729 1.00 15.00 O ATOM 140 CB ARG A 306 -4.310 2.853 1.786 1.00 15.00 C ATOM 141 CG ARG A 306 -4.556 4.347 1.837 1.00 15.00 C ATOM 142 CD ARG A 306 -5.787 4.719 1.036 1.00 15.00 C ATOM 143 NE ARG A 306 -6.905 3.824 1.341 1.00 15.00 N ATOM 144 CZ ARG A 306 -7.980 4.172 2.047 1.00 15.00 C ATOM 145 NH1 ARG A 306 -8.093 5.400 2.543 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.937 3.279 2.270 1.00 15.00 N ATOM 0 H ARG A 306 -1.683 1.721 2.543 1.00 15.00 H new ATOM 0 HA ARG A 306 -3.999 2.854 3.899 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -3.690 2.626 0.919 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.262 2.342 1.640 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.681 4.664 2.872 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.688 4.876 1.444 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -6.071 5.748 1.256 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.560 4.672 -0.029 1.00 15.00 H new ATOM 0 HE ARG A 306 -6.858 2.868 0.989 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.353 6.084 2.384 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -8.919 5.658 3.082 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.847 2.332 1.902 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -9.762 3.540 2.810 1.00 15.00 H new ATOM 160 N ASN A 307 -5.137 0.585 3.815 1.00 15.00 N ATOM 161 CA ASN A 307 -5.662 -0.763 3.991 1.00 15.00 C ATOM 162 C ASN A 307 -6.987 -0.885 3.229 1.00 15.00 C ATOM 163 O ASN A 307 -7.837 0.001 3.333 1.00 15.00 O ATOM 164 CB ASN A 307 -5.880 -1.029 5.490 1.00 15.00 C ATOM 165 CG ASN A 307 -6.168 -2.484 5.825 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.706 -3.239 5.016 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.822 -2.883 7.039 1.00 15.00 N ATOM 0 H ASN A 307 -5.724 1.315 4.219 1.00 15.00 H new ATOM 0 HA ASN A 307 -4.957 -1.497 3.601 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -4.993 -0.709 6.038 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.710 -0.415 5.840 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -6.000 -3.844 7.330 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.378 -2.229 7.683 1.00 15.00 H new ATOM 174 N THR A 308 -7.173 -1.966 2.471 1.00 15.00 N ATOM 175 CA THR A 308 -8.418 -2.162 1.736 1.00 15.00 C ATOM 176 C THR A 308 -9.417 -2.925 2.583 1.00 15.00 C ATOM 177 O THR A 308 -9.031 -3.793 3.373 1.00 15.00 O ATOM 178 CB THR A 308 -8.220 -2.928 0.410 1.00 15.00 C ATOM 179 OG1 THR A 308 -7.046 -3.751 0.471 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.136 -1.976 -0.770 1.00 15.00 C ATOM 0 H THR A 308 -6.485 -2.710 2.352 1.00 15.00 H new ATOM 0 HA THR A 308 -8.790 -1.165 1.501 1.00 15.00 H new ATOM 0 HB THR A 308 -9.089 -3.569 0.265 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.247 -3.183 0.458 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.997 -2.546 -1.688 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.058 -1.398 -0.838 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.293 -1.299 -0.632 1.00 15.00 H new ATOM 188 N ALA A 309 -10.696 -2.622 2.386 1.00 15.00 N ATOM 189 CA ALA A 309 -11.776 -3.220 3.169 1.00 15.00 C ATOM 190 C ALA A 309 -11.811 -4.742 3.025 1.00 15.00 C ATOM 191 O ALA A 309 -12.375 -5.443 3.867 1.00 15.00 O ATOM 192 CB ALA A 309 -13.107 -2.619 2.753 1.00 15.00 C ATOM 0 H ALA A 309 -11.014 -1.957 1.681 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.589 -2.999 4.220 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.908 -3.068 3.340 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.090 -1.543 2.926 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.279 -2.814 1.694 1.00 15.00 H new ATOM 198 N THR A 310 -11.198 -5.244 1.962 1.00 15.00 N ATOM 199 CA THR A 310 -11.083 -6.679 1.735 1.00 15.00 C ATOM 200 C THR A 310 -10.158 -7.321 2.778 1.00 15.00 C ATOM 201 O THR A 310 -10.184 -8.535 3.002 1.00 15.00 O ATOM 202 CB THR A 310 -10.534 -6.952 0.322 1.00 15.00 C ATOM 203 OG1 THR A 310 -11.200 -6.104 -0.623 1.00 15.00 O ATOM 204 CG2 THR A 310 -10.730 -8.409 -0.077 1.00 15.00 C ATOM 0 H THR A 310 -10.768 -4.672 1.235 1.00 15.00 H new ATOM 0 HA THR A 310 -12.076 -7.118 1.828 1.00 15.00 H new ATOM 0 HB THR A 310 -9.465 -6.741 0.326 1.00 15.00 H new ATOM 0 HG1 THR A 310 -10.849 -6.277 -1.522 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.332 -8.569 -1.079 1.00 15.00 H new ATOM 0 HG22 THR A 310 -10.205 -9.053 0.629 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.793 -8.649 -0.066 1.00 15.00 H new ATOM 212 N GLY A 311 -9.356 -6.490 3.425 1.00 15.00 N ATOM 213 CA GLY A 311 -8.415 -6.975 4.411 1.00 15.00 C ATOM 214 C GLY A 311 -7.027 -7.154 3.833 1.00 15.00 C ATOM 215 O GLY A 311 -6.361 -8.152 4.101 1.00 15.00 O ATOM 0 H GLY A 311 -9.341 -5.480 3.283 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.372 -6.275 5.246 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.767 -7.926 4.810 1.00 15.00 H new ATOM 219 N ARG A 312 -6.588 -6.187 3.032 1.00 15.00 N ATOM 220 CA ARG A 312 -5.271 -6.264 2.399 1.00 15.00 C ATOM 221 C ARG A 312 -4.542 -4.935 2.545 1.00 15.00 C ATOM 222 O ARG A 312 -5.131 -3.874 2.333 1.00 15.00 O ATOM 223 CB ARG A 312 -5.389 -6.614 0.908 1.00 15.00 C ATOM 224 CG ARG A 312 -6.127 -7.906 0.604 1.00 15.00 C ATOM 225 CD ARG A 312 -6.153 -8.174 -0.896 1.00 15.00 C ATOM 226 NE ARG A 312 -6.981 -7.202 -1.618 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.043 -7.116 -2.950 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.332 -7.940 -3.711 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -7.826 -6.211 -3.524 1.00 15.00 N ATOM 0 H ARG A 312 -7.119 -5.346 2.806 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.708 -7.052 2.899 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.897 -5.795 0.398 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.386 -6.679 0.486 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.643 -8.736 1.118 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.146 -7.846 0.985 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.136 -8.143 -1.287 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.534 -9.179 -1.077 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.544 -6.552 -1.070 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.734 -8.644 -3.279 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.384 -7.869 -4.727 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.382 -5.579 -2.948 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.871 -6.147 -4.541 1.00 15.00 H new ATOM 243 N VAL A 313 -3.258 -4.981 2.875 1.00 15.00 N ATOM 244 CA VAL A 313 -2.497 -3.754 3.051 1.00 15.00 C ATOM 245 C VAL A 313 -1.505 -3.552 1.899 1.00 15.00 C ATOM 246 O VAL A 313 -0.773 -4.458 1.525 1.00 15.00 O ATOM 247 CB VAL A 313 -1.751 -3.723 4.398 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.333 -2.300 4.732 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.613 -4.303 5.510 1.00 15.00 C ATOM 0 H VAL A 313 -2.729 -5.841 3.024 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.217 -2.935 3.048 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.856 -4.340 4.311 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -0.806 -2.290 5.686 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -0.675 -1.921 3.950 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.218 -1.667 4.799 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.064 -4.270 6.451 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.528 -3.719 5.603 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.865 -5.337 5.273 1.00 15.00 H new ATOM 259 N TYR A 314 -1.475 -2.336 1.385 1.00 15.00 N ATOM 260 CA TYR A 314 -0.799 -1.972 0.168 1.00 15.00 C ATOM 261 C TYR A 314 -0.267 -0.557 0.349 1.00 15.00 C ATOM 262 O TYR A 314 -1.028 0.384 0.589 1.00 15.00 O ATOM 263 CB TYR A 314 -1.770 -2.035 -1.028 1.00 15.00 C ATOM 264 CG TYR A 314 -3.024 -1.202 -0.833 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.026 -1.623 0.029 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.191 0.021 -1.478 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.148 -0.857 0.247 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.319 0.789 -1.265 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.292 0.348 -0.397 1.00 15.00 C ATOM 270 OH TYR A 314 -6.412 1.114 -0.167 1.00 15.00 O ATOM 0 H TYR A 314 -1.943 -1.546 1.829 1.00 15.00 H new ATOM 0 HA TYR A 314 0.018 -2.664 -0.038 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.252 -1.694 -1.925 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.056 -3.073 -1.200 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -3.924 -2.570 0.539 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.427 0.374 -2.155 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -5.915 -1.203 0.924 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.437 1.732 -1.778 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.484 1.805 -0.859 1.00 15.00 H new ATOM 280 N PHE A 315 1.031 -0.412 0.308 1.00 15.00 N ATOM 281 CA PHE A 315 1.637 0.892 0.471 1.00 15.00 C ATOM 282 C PHE A 315 1.983 1.461 -0.883 1.00 15.00 C ATOM 283 O PHE A 315 2.786 0.898 -1.601 1.00 15.00 O ATOM 284 CB PHE A 315 2.914 0.806 1.301 1.00 15.00 C ATOM 285 CG PHE A 315 2.740 0.331 2.715 1.00 15.00 C ATOM 286 CD1 PHE A 315 2.132 -0.878 2.988 1.00 15.00 C ATOM 287 CD2 PHE A 315 3.221 1.089 3.771 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.999 -1.322 4.283 1.00 15.00 C ATOM 289 CE2 PHE A 315 3.098 0.644 5.071 1.00 15.00 C ATOM 290 CZ PHE A 315 2.485 -0.565 5.324 1.00 15.00 C ATOM 0 H PHE A 315 1.691 -1.176 0.164 1.00 15.00 H new ATOM 0 HA PHE A 315 0.921 1.533 0.986 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.610 0.137 0.795 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.379 1.792 1.323 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.756 -1.482 2.175 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.697 2.038 3.574 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.513 -2.265 4.483 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.480 1.240 5.887 1.00 15.00 H new ATOM 0 HZ PHE A 315 2.386 -0.918 6.340 1.00 15.00 H new ATOM 300 N VAL A 316 1.419 2.584 -1.229 1.00 15.00 N ATOM 301 CA VAL A 316 1.748 3.173 -2.493 1.00 15.00 C ATOM 302 C VAL A 316 2.949 4.104 -2.310 1.00 15.00 C ATOM 303 O VAL A 316 2.919 5.021 -1.486 1.00 15.00 O ATOM 304 CB VAL A 316 0.551 3.925 -3.127 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.491 2.935 -3.620 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.089 4.899 -2.156 1.00 15.00 C ATOM 0 H VAL A 316 0.743 3.100 -0.666 1.00 15.00 H new ATOM 0 HA VAL A 316 2.003 2.373 -3.188 1.00 15.00 H new ATOM 0 HB VAL A 316 0.940 4.499 -3.968 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.327 3.477 -4.063 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.045 2.280 -4.369 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -0.850 2.337 -2.782 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -0.923 5.403 -2.643 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.453 4.357 -1.283 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.649 5.638 -1.843 1.00 15.00 H new ATOM 316 N ASP A 317 4.040 3.835 -3.019 1.00 15.00 N ATOM 317 CA ASP A 317 5.212 4.671 -2.906 1.00 15.00 C ATOM 318 C ASP A 317 5.083 5.769 -3.942 1.00 15.00 C ATOM 319 O ASP A 317 4.937 5.480 -5.134 1.00 15.00 O ATOM 320 CB ASP A 317 6.505 3.882 -3.171 1.00 15.00 C ATOM 321 CG ASP A 317 6.430 2.424 -2.796 1.00 15.00 C ATOM 322 OD1 ASP A 317 6.034 1.615 -3.654 1.00 15.00 O1- ATOM 323 OD2 ASP A 317 6.824 2.083 -1.665 1.00 15.00 O ATOM 0 H ASP A 317 4.130 3.053 -3.668 1.00 15.00 H new ATOM 0 HA ASP A 317 5.273 5.069 -1.893 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.754 3.961 -4.229 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.320 4.346 -2.616 1.00 15.00 H new ATOM 328 N HIS A 318 5.102 7.021 -3.501 1.00 15.00 N ATOM 329 CA HIS A 318 4.964 8.150 -4.421 1.00 15.00 C ATOM 330 C HIS A 318 6.232 8.340 -5.245 1.00 15.00 C ATOM 331 O HIS A 318 6.230 9.057 -6.242 1.00 15.00 O ATOM 332 CB HIS A 318 4.623 9.450 -3.685 1.00 15.00 C ATOM 333 CG HIS A 318 3.205 9.540 -3.194 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.188 8.708 -3.620 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.640 10.378 -2.293 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.070 9.034 -3.001 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.312 10.043 -2.186 1.00 15.00 N ATOM 0 H HIS A 318 5.211 7.282 -2.521 1.00 15.00 H new ATOM 0 HA HIS A 318 4.136 7.913 -5.090 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.295 9.557 -2.834 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.816 10.290 -4.352 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.286 7.959 -4.306 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.143 11.168 -1.755 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.113 8.553 -3.139 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.629 10.497 -1.580 1.00 15.00 H new ATOM 346 N ASN A 319 7.313 7.711 -4.811 1.00 15.00 N ATOM 347 CA ASN A 319 8.582 7.802 -5.519 1.00 15.00 C ATOM 348 C ASN A 319 8.604 6.868 -6.724 1.00 15.00 C ATOM 349 O ASN A 319 9.085 7.234 -7.795 1.00 15.00 O ATOM 350 CB ASN A 319 9.746 7.473 -4.579 1.00 15.00 C ATOM 351 CG ASN A 319 9.942 8.515 -3.492 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.722 9.706 -3.707 1.00 15.00 O ATOM 353 ND2 ASN A 319 10.328 8.070 -2.306 1.00 15.00 N ATOM 0 H ASN A 319 7.338 7.132 -3.972 1.00 15.00 H new ATOM 0 HA ASN A 319 8.694 8.826 -5.875 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.569 6.502 -4.116 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.663 7.386 -5.162 1.00 15.00 H new ATOM 0 HD21 ASN A 319 10.452 8.723 -1.532 1.00 15.00 H new ATOM 0 HD22 ASN A 319 10.501 7.075 -2.166 1.00 15.00 H new ATOM 360 N ASN A 320 8.086 5.655 -6.543 1.00 15.00 N ATOM 361 CA ASN A 320 8.088 4.661 -7.615 1.00 15.00 C ATOM 362 C ASN A 320 6.736 4.603 -8.329 1.00 15.00 C ATOM 363 O ASN A 320 6.628 4.039 -9.417 1.00 15.00 O ATOM 364 CB ASN A 320 8.435 3.277 -7.058 1.00 15.00 C ATOM 365 CG ASN A 320 8.710 2.254 -8.148 1.00 15.00 C ATOM 366 OD1 ASN A 320 8.334 1.088 -8.029 1.00 15.00 O ATOM 367 ND2 ASN A 320 9.391 2.675 -9.203 1.00 15.00 N ATOM 0 H ASN A 320 7.662 5.338 -5.671 1.00 15.00 H new ATOM 0 HA ASN A 320 8.845 4.962 -8.339 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.311 3.359 -6.414 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.613 2.925 -6.435 1.00 15.00 H new ATOM 0 HD21 ASN A 320 9.622 2.024 -9.954 1.00 15.00 H new ATOM 0 HD22 ASN A 320 9.685 3.650 -9.265 1.00 15.00 H new ATOM 374 N ARG A 321 5.713 5.182 -7.703 1.00 15.00 N ATOM 375 CA ARG A 321 4.344 5.162 -8.228 1.00 15.00 C ATOM 376 C ARG A 321 3.795 3.741 -8.271 1.00 15.00 C ATOM 377 O ARG A 321 3.104 3.359 -9.218 1.00 15.00 O ATOM 378 CB ARG A 321 4.264 5.781 -9.625 1.00 15.00 C ATOM 379 CG ARG A 321 4.682 7.238 -9.693 1.00 15.00 C ATOM 380 CD ARG A 321 4.440 7.797 -11.083 1.00 15.00 C ATOM 381 NE ARG A 321 4.982 6.916 -12.121 1.00 15.00 N ATOM 382 CZ ARG A 321 5.562 7.339 -13.242 1.00 15.00 C ATOM 383 NH1 ARG A 321 5.708 8.637 -13.482 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 5.999 6.454 -14.130 1.00 15.00 N ATOM 0 H ARG A 321 5.807 5.679 -6.817 1.00 15.00 H new ATOM 0 HA ARG A 321 3.737 5.761 -7.549 1.00 15.00 H new ATOM 0 HB2 ARG A 321 4.894 5.203 -10.301 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.241 5.692 -9.990 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.122 7.818 -8.959 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.737 7.332 -9.436 1.00 15.00 H new ATOM 0 HD2 ARG A 321 3.370 7.930 -11.241 1.00 15.00 H new ATOM 0 HD3 ARG A 321 4.900 8.782 -11.165 1.00 15.00 H new ATOM 0 HE ARG A 321 4.910 5.909 -11.974 1.00 15.00 H new ATOM 0 HH11 ARG A 321 5.374 9.322 -12.804 1.00 15.00 H new ATOM 0 HH12 ARG A 321 6.154 8.949 -14.345 1.00 15.00 H new ATOM 0 HH21 ARG A 321 5.889 5.456 -13.952 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.444 6.772 -14.991 1.00 15.00 H new ATOM 398 N THR A 322 4.052 2.980 -7.223 1.00 15.00 N ATOM 399 CA THR A 322 3.636 1.583 -7.184 1.00 15.00 C ATOM 400 C THR A 322 2.896 1.280 -5.881 1.00 15.00 C ATOM 401 O THR A 322 3.142 1.928 -4.869 1.00 15.00 O ATOM 402 CB THR A 322 4.857 0.650 -7.336 1.00 15.00 C ATOM 403 OG1 THR A 322 5.596 1.014 -8.512 1.00 15.00 O ATOM 404 CG2 THR A 322 4.432 -0.808 -7.446 1.00 15.00 C ATOM 0 H THR A 322 4.544 3.300 -6.389 1.00 15.00 H new ATOM 0 HA THR A 322 2.957 1.404 -8.018 1.00 15.00 H new ATOM 0 HB THR A 322 5.479 0.762 -6.448 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.556 0.954 -8.326 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.316 -1.438 -7.552 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.886 -1.097 -6.548 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.790 -0.935 -8.317 1.00 15.00 H new ATOM 412 N THR A 323 1.960 0.330 -5.922 1.00 15.00 N ATOM 413 CA THR A 323 1.259 -0.090 -4.719 1.00 15.00 C ATOM 414 C THR A 323 1.879 -1.381 -4.178 1.00 15.00 C ATOM 415 O THR A 323 2.221 -2.285 -4.943 1.00 15.00 O ATOM 416 CB THR A 323 -0.262 -0.272 -4.958 1.00 15.00 C ATOM 417 OG1 THR A 323 -0.932 -0.493 -3.713 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.562 -1.428 -5.896 1.00 15.00 C ATOM 0 H THR A 323 1.675 -0.157 -6.772 1.00 15.00 H new ATOM 0 HA THR A 323 1.370 0.702 -3.979 1.00 15.00 H new ATOM 0 HB THR A 323 -0.624 0.644 -5.425 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.723 -1.052 -3.862 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.640 -1.516 -6.032 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.088 -1.246 -6.860 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.174 -2.353 -5.469 1.00 15.00 H new ATOM 426 N GLN A 324 2.019 -1.461 -2.864 1.00 15.00 N ATOM 427 CA GLN A 324 2.806 -2.509 -2.246 1.00 15.00 C ATOM 428 C GLN A 324 1.974 -3.379 -1.312 1.00 15.00 C ATOM 429 O GLN A 324 1.828 -3.059 -0.136 1.00 15.00 O ATOM 430 CB GLN A 324 3.978 -1.897 -1.456 1.00 15.00 C ATOM 431 CG GLN A 324 4.928 -1.060 -2.299 1.00 15.00 C ATOM 432 CD GLN A 324 5.699 -1.883 -3.314 1.00 15.00 C ATOM 433 OE1 GLN A 324 5.239 -2.109 -4.429 1.00 15.00 O ATOM 434 NE2 GLN A 324 6.893 -2.320 -2.942 1.00 15.00 N ATOM 0 H GLN A 324 1.595 -0.808 -2.205 1.00 15.00 H new ATOM 0 HA GLN A 324 3.183 -3.141 -3.050 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.577 -1.275 -0.656 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.542 -2.701 -0.983 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.360 -0.289 -2.820 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.633 -0.548 -1.643 1.00 15.00 H new ATOM 0 HE21 GLN A 324 7.243 -2.113 -2.007 1.00 15.00 H new ATOM 0 HE22 GLN A 324 7.462 -2.864 -3.591 1.00 15.00 H new ATOM 443 N PHE A 325 1.412 -4.463 -1.848 1.00 15.00 N ATOM 444 CA PHE A 325 0.933 -5.576 -1.016 1.00 15.00 C ATOM 445 C PHE A 325 2.129 -6.238 -0.388 1.00 15.00 C ATOM 446 O PHE A 325 2.033 -7.132 0.448 1.00 15.00 O ATOM 447 CB PHE A 325 0.106 -6.589 -1.802 1.00 15.00 C ATOM 448 CG PHE A 325 -1.343 -6.233 -1.805 1.00 15.00 C ATOM 449 CD1 PHE A 325 -1.889 -5.559 -0.726 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.154 -6.544 -2.879 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.218 -5.196 -0.731 1.00 15.00 C ATOM 452 CE2 PHE A 325 -3.486 -6.191 -2.880 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.017 -5.511 -1.809 1.00 15.00 C ATOM 0 H PHE A 325 1.276 -4.597 -2.850 1.00 15.00 H new ATOM 0 HA PHE A 325 0.266 -5.177 -0.252 1.00 15.00 H new ATOM 0 HB2 PHE A 325 0.471 -6.639 -2.828 1.00 15.00 H new ATOM 0 HB3 PHE A 325 0.237 -7.580 -1.368 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.269 -5.316 0.125 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -1.740 -7.069 -3.727 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -3.635 -4.664 0.111 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.113 -6.448 -3.721 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.058 -5.224 -1.813 1.00 15.00 H new ATOM 463 N THR A 326 3.257 -5.800 -0.877 1.00 15.00 N ATOM 464 CA THR A 326 4.533 -6.227 -0.367 1.00 15.00 C ATOM 465 C THR A 326 4.903 -5.229 0.712 1.00 15.00 C ATOM 466 O THR A 326 5.538 -4.201 0.448 1.00 15.00 O ATOM 467 CB THR A 326 5.608 -6.243 -1.471 1.00 15.00 C ATOM 468 OG1 THR A 326 5.528 -5.041 -2.248 1.00 15.00 O ATOM 469 CG2 THR A 326 5.439 -7.450 -2.379 1.00 15.00 C ATOM 0 H THR A 326 3.318 -5.132 -1.646 1.00 15.00 H new ATOM 0 HA THR A 326 4.474 -7.244 0.020 1.00 15.00 H new ATOM 0 HB THR A 326 6.586 -6.305 -0.993 1.00 15.00 H new ATOM 0 HG1 THR A 326 6.215 -5.057 -2.947 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.210 -7.437 -3.149 1.00 15.00 H new ATOM 0 HG22 THR A 326 5.529 -8.363 -1.791 1.00 15.00 H new ATOM 0 HG23 THR A 326 4.456 -7.417 -2.849 1.00 15.00 H new ATOM 477 N ASP A 327 4.485 -5.526 1.922 1.00 15.00 N ATOM 478 CA ASP A 327 4.364 -4.517 2.936 1.00 15.00 C ATOM 479 C ASP A 327 5.195 -4.778 4.136 1.00 15.00 C ATOM 480 O ASP A 327 5.494 -5.909 4.512 1.00 15.00 O ATOM 481 CB ASP A 327 2.927 -4.301 3.375 1.00 15.00 C ATOM 482 CG ASP A 327 2.134 -5.577 3.595 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.753 -6.647 3.760 1.00 15.00 O1- ATOM 484 OD2 ASP A 327 0.892 -5.497 3.651 1.00 15.00 O ATOM 0 H ASP A 327 4.223 -6.465 2.223 1.00 15.00 H new ATOM 0 HA ASP A 327 4.735 -3.612 2.454 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.926 -3.725 4.300 1.00 15.00 H new ATOM 0 HB3 ASP A 327 2.418 -3.698 2.623 1.00 15.00 H new ATOM 489 N PRO A 328 5.566 -3.678 4.755 1.00 15.00 N ATOM 490 CA PRO A 328 6.205 -3.683 6.045 1.00 15.00 C ATOM 491 C PRO A 328 5.212 -4.271 7.068 1.00 15.00 C ATOM 492 O PRO A 328 5.571 -4.618 8.194 1.00 15.00 O ATOM 493 CB PRO A 328 6.542 -2.196 6.279 1.00 15.00 C ATOM 494 CG PRO A 328 6.349 -1.537 4.936 1.00 15.00 C ATOM 495 CD PRO A 328 5.288 -2.317 4.277 1.00 15.00 C ATOM 0 HA PRO A 328 7.106 -4.291 6.129 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.888 -1.757 7.032 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.565 -2.074 6.635 1.00 15.00 H new ATOM 0 HG2 PRO A 328 6.059 -0.492 5.047 1.00 15.00 H new ATOM 0 HG3 PRO A 328 7.270 -1.552 4.353 1.00 15.00 H new ATOM 0 HD2 PRO A 328 4.293 -1.978 4.567 1.00 15.00 H new ATOM 0 HD3 PRO A 328 5.345 -2.247 3.191 1.00 15.00 H new ATOM 503 N ARG A 329 3.937 -4.346 6.634 1.00 15.00 N ATOM 504 CA ARG A 329 2.859 -4.989 7.390 1.00 15.00 C ATOM 505 C ARG A 329 3.068 -6.497 7.515 1.00 15.00 C ATOM 506 O ARG A 329 2.596 -7.114 8.471 1.00 15.00 O ATOM 507 CB ARG A 329 1.480 -4.727 6.737 1.00 15.00 C ATOM 508 CG ARG A 329 1.016 -3.291 6.859 1.00 15.00 C ATOM 509 CD ARG A 329 0.986 -2.829 8.305 1.00 15.00 C ATOM 510 NE ARG A 329 0.143 -3.672 9.150 1.00 15.00 N ATOM 511 CZ ARG A 329 0.102 -3.578 10.477 1.00 15.00 C ATOM 512 NH1 ARG A 329 0.858 -2.682 11.101 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -0.682 -4.387 11.177 1.00 15.00 N ATOM 0 H ARG A 329 3.631 -3.957 5.742 1.00 15.00 H new ATOM 0 HA ARG A 329 2.880 -4.548 8.386 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.530 -4.996 5.682 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.739 -5.380 7.198 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.680 -2.645 6.285 1.00 15.00 H new ATOM 0 HG3 ARG A 329 0.021 -3.192 6.425 1.00 15.00 H new ATOM 0 HD2 ARG A 329 2.001 -2.824 8.702 1.00 15.00 H new ATOM 0 HD3 ARG A 329 0.623 -1.802 8.346 1.00 15.00 H new ATOM 0 HE ARG A 329 -0.446 -4.371 8.698 1.00 15.00 H new ATOM 0 HH11 ARG A 329 1.469 -2.067 10.563 1.00 15.00 H new ATOM 0 HH12 ARG A 329 0.828 -2.609 12.118 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -1.255 -5.082 10.698 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -0.712 -4.314 12.194 1.00 15.00 H new ATOM 527 N LEU A 330 3.766 -7.085 6.547 1.00 15.00 N ATOM 528 CA LEU A 330 3.966 -8.534 6.500 1.00 15.00 C ATOM 529 C LEU A 330 4.786 -9.032 7.693 1.00 15.00 C ATOM 530 O LEU A 330 4.804 -10.227 7.995 1.00 15.00 O ATOM 531 CB LEU A 330 4.656 -8.928 5.190 1.00 15.00 C ATOM 532 CG LEU A 330 4.748 -10.432 4.916 1.00 15.00 C ATOM 533 CD1 LEU A 330 3.361 -11.029 4.734 1.00 15.00 C ATOM 534 CD2 LEU A 330 5.611 -10.698 3.692 1.00 15.00 C ATOM 0 H LEU A 330 4.206 -6.578 5.779 1.00 15.00 H new ATOM 0 HA LEU A 330 2.984 -9.005 6.550 1.00 15.00 H new ATOM 0 HB2 LEU A 330 4.122 -8.458 4.364 1.00 15.00 H new ATOM 0 HB3 LEU A 330 5.665 -8.515 5.193 1.00 15.00 H new ATOM 0 HG LEU A 330 5.215 -10.911 5.777 1.00 15.00 H new ATOM 0 HD11 LEU A 330 3.448 -12.098 4.540 1.00 15.00 H new ATOM 0 HD12 LEU A 330 2.775 -10.871 5.639 1.00 15.00 H new ATOM 0 HD13 LEU A 330 2.865 -10.547 3.892 1.00 15.00 H new ATOM 0 HD21 LEU A 330 5.666 -11.772 3.512 1.00 15.00 H new ATOM 0 HD22 LEU A 330 5.172 -10.206 2.824 1.00 15.00 H new ATOM 0 HD23 LEU A 330 6.614 -10.307 3.862 1.00 15.00 H new ATOM 546 N SER A 331 5.481 -8.118 8.352 1.00 15.00 N ATOM 547 CA SER A 331 6.289 -8.466 9.509 1.00 15.00 C ATOM 548 C SER A 331 5.636 -7.963 10.794 1.00 15.00 C ATOM 549 O SER A 331 6.071 -8.299 11.896 1.00 15.00 O ATOM 550 CB SER A 331 7.701 -7.889 9.363 1.00 15.00 C ATOM 551 OG SER A 331 8.541 -8.308 10.427 1.00 15.00 O ATOM 0 H SER A 331 5.501 -7.129 8.105 1.00 15.00 H new ATOM 0 HA SER A 331 6.360 -9.552 9.566 1.00 15.00 H new ATOM 0 HB2 SER A 331 8.129 -8.206 8.412 1.00 15.00 H new ATOM 0 HB3 SER A 331 7.651 -6.800 9.343 1.00 15.00 H new ATOM 0 HG SER A 331 8.004 -8.435 11.237 1.00 15.00 H new ATOM 557 N ALA A 332 4.600 -7.147 10.644 1.00 15.00 N ATOM 558 CA ALA A 332 3.957 -6.511 11.783 1.00 15.00 C ATOM 559 C ALA A 332 3.101 -7.501 12.567 1.00 15.00 C ATOM 560 O ALA A 332 3.417 -7.839 13.708 1.00 15.00 O ATOM 561 CB ALA A 332 3.119 -5.330 11.325 1.00 15.00 C ATOM 0 H ALA A 332 4.188 -6.911 9.742 1.00 15.00 H new ATOM 0 HA ALA A 332 4.740 -6.151 12.450 1.00 15.00 H new ATOM 0 HB1 ALA A 332 2.644 -4.864 12.188 1.00 15.00 H new ATOM 0 HB2 ALA A 332 3.758 -4.602 10.826 1.00 15.00 H new ATOM 0 HB3 ALA A 332 2.352 -5.675 10.631 1.00 15.00 H new ATOM 567 N ASN A 333 2.031 -7.976 11.951 1.00 15.00 N ATOM 568 CA ASN A 333 1.108 -8.878 12.625 1.00 15.00 C ATOM 569 C ASN A 333 1.283 -10.311 12.135 1.00 15.00 C ATOM 570 O ASN A 333 1.464 -11.209 12.980 1.00 15.00 O ATOM 571 CB ASN A 333 -0.353 -8.406 12.475 1.00 15.00 C ATOM 572 CG ASN A 333 -0.740 -7.962 11.065 1.00 15.00 C ATOM 573 OD1 ASN A 333 -1.562 -7.060 10.903 1.00 15.00 O ATOM 574 ND2 ASN A 333 -0.180 -8.587 10.044 1.00 15.00 N ATOM 575 OXT ASN A 333 1.285 -10.529 10.909 1.00 15.00 O ATOM 0 H ASN A 333 1.779 -7.754 10.988 1.00 15.00 H new ATOM 0 HA ASN A 333 1.347 -8.861 13.688 1.00 15.00 H new ATOM 0 HB2 ASN A 333 -1.015 -9.216 12.781 1.00 15.00 H new ATOM 0 HB3 ASN A 333 -0.525 -7.577 13.162 1.00 15.00 H new ATOM 0 HD21 ASN A 333 -0.426 -8.326 9.089 1.00 15.00 H new ATOM 0 HD22 ASN A 333 0.498 -9.331 10.211 1.00 15.00 H new TER 582 ASN A 333 ATOM 583 N GLU B 203 2.571 -9.104 -7.667 1.00 15.00 N ATOM 584 CA GLU B 203 2.729 -9.358 -6.216 1.00 15.00 C ATOM 585 C GLU B 203 2.318 -10.786 -5.892 1.00 15.00 C ATOM 586 O GLU B 203 1.480 -11.364 -6.583 1.00 15.00 O ATOM 587 CB GLU B 203 1.876 -8.374 -5.401 1.00 15.00 C ATOM 588 CG GLU B 203 2.509 -6.998 -5.227 1.00 15.00 C ATOM 589 CD GLU B 203 3.056 -6.434 -6.520 1.00 15.00 C ATOM 590 OE1 GLU B 203 2.326 -6.443 -7.532 1.00 15.00 O1- ATOM 591 OE2 GLU B 203 4.232 -6.030 -6.542 1.00 15.00 O ATOM 0 HA GLU B 203 3.777 -9.215 -5.951 1.00 15.00 H new ATOM 0 HB2 GLU B 203 0.908 -8.258 -5.889 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.687 -8.802 -4.417 1.00 15.00 H new ATOM 0 HG2 GLU B 203 1.766 -6.311 -4.822 1.00 15.00 H new ATOM 0 HG3 GLU B 203 3.315 -7.064 -4.496 1.00 15.00 H new ATOM 600 N LEU B 204 2.906 -11.348 -4.841 1.00 15.00 N ATOM 601 CA LEU B 204 2.554 -12.691 -4.379 1.00 15.00 C ATOM 602 C LEU B 204 1.109 -12.724 -3.871 1.00 15.00 C ATOM 603 O LEU B 204 0.514 -13.788 -3.699 1.00 15.00 O ATOM 604 CB LEU B 204 3.518 -13.132 -3.271 1.00 15.00 C ATOM 605 CG LEU B 204 3.377 -14.585 -2.808 1.00 15.00 C ATOM 606 CD1 LEU B 204 3.732 -15.545 -3.935 1.00 15.00 C ATOM 607 CD2 LEU B 204 4.252 -14.842 -1.590 1.00 15.00 C ATOM 0 H LEU B 204 3.633 -10.893 -4.289 1.00 15.00 H new ATOM 0 HA LEU B 204 2.638 -13.382 -5.218 1.00 15.00 H new ATOM 0 HB2 LEU B 204 4.539 -12.979 -3.621 1.00 15.00 H new ATOM 0 HB3 LEU B 204 3.375 -12.480 -2.409 1.00 15.00 H new ATOM 0 HG LEU B 204 2.338 -14.757 -2.529 1.00 15.00 H new ATOM 0 HD11 LEU B 204 3.625 -16.572 -3.585 1.00 15.00 H new ATOM 0 HD12 LEU B 204 3.063 -15.378 -4.779 1.00 15.00 H new ATOM 0 HD13 LEU B 204 4.762 -15.373 -4.248 1.00 15.00 H new ATOM 0 HD21 LEU B 204 4.140 -15.879 -1.274 1.00 15.00 H new ATOM 0 HD22 LEU B 204 5.295 -14.651 -1.844 1.00 15.00 H new ATOM 0 HD23 LEU B 204 3.949 -14.181 -0.778 1.00 15.00 H new ATOM 619 N GLU B 205 0.566 -11.544 -3.621 1.00 15.00 N ATOM 620 CA GLU B 205 -0.810 -11.393 -3.175 1.00 15.00 C ATOM 621 C GLU B 205 -1.701 -11.053 -4.375 1.00 15.00 C ATOM 622 O GLU B 205 -1.198 -10.669 -5.433 1.00 15.00 O ATOM 623 CB GLU B 205 -0.872 -10.286 -2.108 1.00 15.00 C ATOM 624 CG GLU B 205 -2.258 -10.022 -1.533 1.00 15.00 C ATOM 625 CD GLU B 205 -2.906 -11.263 -0.956 1.00 15.00 C ATOM 626 OE1 GLU B 205 -2.555 -11.656 0.171 1.00 15.00 O1- ATOM 627 OE2 GLU B 205 -3.781 -11.848 -1.631 1.00 15.00 O ATOM 0 H GLU B 205 1.068 -10.662 -3.722 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.170 -12.323 -2.735 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -0.201 -10.552 -1.291 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -0.494 -9.361 -2.543 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.184 -9.262 -0.755 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.898 -9.615 -2.316 1.00 15.00 H new ATOM 634 N SER B 206 -3.007 -11.213 -4.200 1.00 15.00 N ATOM 635 CA SER B 206 -3.995 -10.838 -5.209 1.00 15.00 C ATOM 636 C SER B 206 -3.774 -9.436 -5.746 1.00 15.00 C ATOM 637 O SER B 206 -3.229 -8.557 -5.077 1.00 15.00 O ATOM 638 CB SER B 206 -5.397 -10.960 -4.631 1.00 15.00 C ATOM 639 OG SER B 206 -5.433 -10.594 -3.258 1.00 15.00 O ATOM 0 H SER B 206 -3.414 -11.608 -3.352 1.00 15.00 H new ATOM 0 HA SER B 206 -3.878 -11.525 -6.047 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.080 -10.325 -5.195 1.00 15.00 H new ATOM 0 HB3 SER B 206 -5.749 -11.985 -4.744 1.00 15.00 H new ATOM 0 HG SER B 206 -5.098 -11.336 -2.713 1.00 15.00 H new ATOM 645 N PRO B 207 -4.252 -9.247 -6.969 1.00 15.00 N ATOM 646 CA PRO B 207 -4.138 -8.000 -7.721 1.00 15.00 C ATOM 647 C PRO B 207 -4.549 -6.785 -6.883 1.00 15.00 C ATOM 648 O PRO B 207 -5.683 -6.713 -6.398 1.00 15.00 O ATOM 649 CB PRO B 207 -5.134 -8.196 -8.869 1.00 15.00 C ATOM 650 CG PRO B 207 -5.303 -9.676 -9.025 1.00 15.00 C ATOM 651 CD PRO B 207 -4.901 -10.317 -7.721 1.00 15.00 C ATOM 0 HA PRO B 207 -3.115 -7.806 -8.042 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -6.087 -7.717 -8.644 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.761 -7.747 -9.790 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.337 -9.920 -9.270 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -4.685 -10.049 -9.842 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.768 -10.707 -7.187 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.223 -11.155 -7.884 1.00 15.00 H new ATOM 659 N PRO B 208 -3.623 -5.827 -6.677 1.00 15.00 N ATOM 660 CA PRO B 208 -3.857 -4.676 -5.816 1.00 15.00 C ATOM 661 C PRO B 208 -4.530 -3.500 -6.520 1.00 15.00 C ATOM 662 O PRO B 208 -4.607 -3.454 -7.750 1.00 15.00 O ATOM 663 CB PRO B 208 -2.445 -4.277 -5.356 1.00 15.00 C ATOM 664 CG PRO B 208 -1.478 -5.094 -6.161 1.00 15.00 C ATOM 665 CD PRO B 208 -2.266 -5.792 -7.235 1.00 15.00 C ATOM 0 HA PRO B 208 -4.542 -4.933 -5.008 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.274 -3.212 -5.512 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.318 -4.467 -4.290 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.710 -4.457 -6.600 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.967 -5.819 -5.527 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -2.231 -5.248 -8.179 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.884 -6.794 -7.430 1.00 15.00 H new ATOM 673 N PRO B 209 -5.022 -2.538 -5.715 1.00 15.00 N ATOM 674 CA PRO B 209 -5.623 -1.292 -6.203 1.00 15.00 C ATOM 675 C PRO B 209 -4.761 -0.584 -7.248 1.00 15.00 C ATOM 676 O PRO B 209 -3.548 -0.446 -7.065 1.00 15.00 O ATOM 677 CB PRO B 209 -5.685 -0.413 -4.948 1.00 15.00 C ATOM 678 CG PRO B 209 -5.681 -1.345 -3.788 1.00 15.00 C ATOM 679 CD PRO B 209 -5.051 -2.629 -4.244 1.00 15.00 C ATOM 0 HA PRO B 209 -6.582 -1.484 -6.683 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.833 0.265 -4.905 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.584 0.204 -4.949 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.122 -0.918 -2.955 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.697 -1.521 -3.434 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.047 -2.743 -3.836 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.629 -3.492 -3.913 1.00 15.00 H new ATOM 687 N PRO B 210 -5.379 -0.120 -8.349 1.00 15.00 N ATOM 688 CA PRO B 210 -4.701 0.722 -9.341 1.00 15.00 C ATOM 689 C PRO B 210 -4.113 1.965 -8.678 1.00 15.00 C ATOM 690 O PRO B 210 -4.750 2.556 -7.799 1.00 15.00 O ATOM 691 CB PRO B 210 -5.822 1.107 -10.312 1.00 15.00 C ATOM 692 CG PRO B 210 -6.857 0.049 -10.147 1.00 15.00 C ATOM 693 CD PRO B 210 -6.783 -0.383 -8.711 1.00 15.00 C ATOM 0 HA PRO B 210 -3.869 0.216 -9.831 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -6.225 2.093 -10.079 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.458 1.146 -11.339 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.848 0.432 -10.388 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.668 -0.790 -10.817 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.473 0.183 -8.085 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -7.038 -1.436 -8.594 1.00 15.00 H new ATOM 701 N TYR B 211 -2.919 2.370 -9.104 1.00 15.00 N ATOM 702 CA TYR B 211 -2.176 3.411 -8.401 1.00 15.00 C ATOM 703 C TYR B 211 -2.936 4.737 -8.339 1.00 15.00 C ATOM 704 O TYR B 211 -2.966 5.507 -9.299 1.00 15.00 O ATOM 705 CB TYR B 211 -0.796 3.646 -9.014 1.00 15.00 C ATOM 706 CG TYR B 211 0.076 4.550 -8.162 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.431 4.177 -6.871 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.547 5.771 -8.640 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.224 4.983 -6.085 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.343 6.586 -7.849 1.00 15.00 C ATOM 711 CZ TYR B 211 1.676 6.184 -6.574 1.00 15.00 C ATOM 712 OH TYR B 211 2.476 6.975 -5.783 1.00 15.00 O ATOM 0 H TYR B 211 -2.448 1.995 -9.928 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.052 3.040 -7.384 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.295 2.687 -9.150 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.913 4.088 -10.004 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.078 3.236 -6.476 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.289 6.087 -9.640 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.490 4.671 -5.086 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.700 7.531 -8.231 1.00 15.00 H new ATOM 0 HH TYR B 211 3.259 6.462 -5.494 1.00 15.00 H new ATOM 722 N SER B 212 -3.593 4.947 -7.214 1.00 15.00 N ATOM 723 CA SER B 212 -4.138 6.230 -6.838 1.00 15.00 C ATOM 724 C SER B 212 -3.344 6.689 -5.626 1.00 15.00 C ATOM 725 O SER B 212 -2.858 5.838 -4.881 1.00 15.00 O ATOM 726 CB SER B 212 -5.620 6.075 -6.487 1.00 15.00 C ATOM 727 OG SER B 212 -6.298 5.307 -7.472 1.00 15.00 O ATOM 0 H SER B 212 -3.764 4.214 -6.525 1.00 15.00 H new ATOM 0 HA SER B 212 -4.066 6.957 -7.647 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.719 5.594 -5.514 1.00 15.00 H new ATOM 0 HB3 SER B 212 -6.083 7.058 -6.405 1.00 15.00 H new ATOM 0 HG SER B 212 -7.243 5.220 -7.226 1.00 15.00 H new ATOM 733 N ARG B 213 -3.178 7.994 -5.417 1.00 15.00 N ATOM 734 CA ARG B 213 -2.358 8.443 -4.293 1.00 15.00 C ATOM 735 C ARG B 213 -2.969 7.909 -3.008 1.00 15.00 C ATOM 736 O ARG B 213 -2.290 7.296 -2.190 1.00 15.00 O ATOM 737 CB ARG B 213 -2.245 9.973 -4.176 1.00 15.00 C ATOM 738 CG ARG B 213 -2.331 10.761 -5.470 1.00 15.00 C ATOM 739 CD ARG B 213 -1.376 10.250 -6.541 1.00 15.00 C ATOM 740 NE ARG B 213 -1.479 11.040 -7.768 1.00 15.00 N ATOM 741 CZ ARG B 213 -1.015 10.658 -8.957 1.00 15.00 C ATOM 742 NH1 ARG B 213 -0.383 9.499 -9.094 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -1.172 11.450 -10.011 1.00 15.00 N ATOM 0 H ARG B 213 -3.584 8.736 -5.988 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.351 8.063 -4.466 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -3.034 10.323 -3.511 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.295 10.209 -3.696 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -3.352 10.716 -5.849 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -2.113 11.809 -5.266 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.353 10.288 -6.167 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -1.597 9.205 -6.759 1.00 15.00 H new ATOM 0 HE ARG B 213 -1.939 11.948 -7.709 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -0.249 8.892 -8.285 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -0.031 9.215 -10.008 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -1.646 12.347 -9.909 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -0.818 11.161 -10.923 1.00 15.00 H new ATOM 757 N TYR B 214 -4.254 8.185 -2.828 1.00 15.00 N ATOM 758 CA TYR B 214 -5.006 7.654 -1.703 1.00 15.00 C ATOM 759 C TYR B 214 -6.170 6.820 -2.213 1.00 15.00 C ATOM 760 O TYR B 214 -7.279 7.321 -2.404 1.00 15.00 O ATOM 761 CB TYR B 214 -5.461 8.800 -0.795 1.00 15.00 C ATOM 762 CG TYR B 214 -4.330 9.768 -0.532 1.00 15.00 C ATOM 763 CD1 TYR B 214 -4.030 10.769 -1.448 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.520 9.637 0.587 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.954 11.609 -1.263 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.450 10.485 0.790 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.166 11.465 -0.137 1.00 15.00 C ATOM 768 OH TYR B 214 -1.079 12.281 0.056 1.00 15.00 O ATOM 0 H TYR B 214 -4.799 8.779 -3.453 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.373 6.999 -1.104 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.294 9.327 -1.259 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.826 8.397 0.150 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.653 10.891 -2.322 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.730 8.861 1.309 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.728 12.373 -1.992 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -1.837 10.381 1.673 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.275 11.733 0.170 1.00 15.00 H new ATOM 778 N PRO B 215 -5.895 5.555 -2.525 1.00 15.00 N ATOM 779 CA PRO B 215 -6.889 4.632 -3.072 1.00 15.00 C ATOM 780 C PRO B 215 -7.886 4.149 -2.023 1.00 15.00 C ATOM 781 O PRO B 215 -7.609 3.213 -1.276 1.00 15.00 O ATOM 782 CB PRO B 215 -6.039 3.471 -3.592 1.00 15.00 C ATOM 783 CG PRO B 215 -4.800 3.501 -2.758 1.00 15.00 C ATOM 784 CD PRO B 215 -4.569 4.930 -2.384 1.00 15.00 C ATOM 0 HA PRO B 215 -7.506 5.103 -3.837 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.562 2.520 -3.489 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.807 3.594 -4.650 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.917 2.882 -1.868 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -3.950 3.104 -3.313 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.192 5.020 -1.365 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.835 5.400 -3.038 1.00 15.00 H new ATOM 792 N MET B 216 -9.029 4.813 -1.946 1.00 15.00 N ATOM 793 CA MET B 216 -10.037 4.481 -0.948 1.00 15.00 C ATOM 794 C MET B 216 -10.923 3.341 -1.430 1.00 15.00 C ATOM 795 O MET B 216 -11.783 3.534 -2.290 1.00 15.00 O ATOM 796 CB MET B 216 -10.891 5.707 -0.617 1.00 15.00 C ATOM 797 CG MET B 216 -10.102 6.847 0.004 1.00 15.00 C ATOM 798 SD MET B 216 -11.112 8.309 0.308 1.00 15.00 S ATOM 799 CE MET B 216 -9.907 9.387 1.083 1.00 15.00 C ATOM 0 H MET B 216 -9.283 5.585 -2.562 1.00 15.00 H new ATOM 0 HA MET B 216 -9.521 4.159 -0.044 1.00 15.00 H new ATOM 0 HB2 MET B 216 -11.371 6.062 -1.529 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.686 5.412 0.067 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.665 6.511 0.944 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.275 7.112 -0.655 1.00 15.00 H new ATOM 0 HE1 MET B 216 -10.377 10.338 1.333 1.00 15.00 H new ATOM 0 HE2 MET B 216 -9.531 8.918 1.992 1.00 15.00 H new ATOM 0 HE3 MET B 216 -9.080 9.562 0.395 1.00 15.00 H new ATOM 809 N ASP B 217 -10.685 2.152 -0.897 1.00 15.00 N ATOM 810 CA ASP B 217 -11.449 0.969 -1.271 1.00 15.00 C ATOM 811 C ASP B 217 -11.780 0.138 -0.042 1.00 15.00 C ATOM 812 O ASP B 217 -10.900 -0.607 0.432 1.00 15.00 O ATOM 813 CB ASP B 217 -10.682 0.120 -2.292 1.00 15.00 C ATOM 814 CG ASP B 217 -10.787 0.661 -3.704 1.00 15.00 C ATOM 815 OD1 ASP B 217 -11.803 0.375 -4.377 1.00 15.00 O1- ATOM 816 OD2 ASP B 217 -9.869 1.379 -4.153 1.00 15.00 O ATOM 817 OXT ASP B 217 -12.923 0.246 0.454 1.00 15.00 O ATOM 0 H ASP B 217 -9.963 1.979 -0.198 1.00 15.00 H new ATOM 0 HA ASP B 217 -12.379 1.302 -1.732 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -9.632 0.073 -2.003 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -11.065 -0.900 -2.270 1.00 15.00 H new TER 822 ASP B 217