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 320 ASN : amide:sc= 0.274 K(o=2.3,f=1.3) USER MOD Set 1.2: A 322 THR OG1 : rot 90:sc= 1.99 USER MOD Set 2.1: A 318 HIS : no HD1:sc= -2.64! C(o=-3.1!,f=-15!) USER MOD Set 2.2: B 211 TYR OH : rot -72:sc= -0.463! USER MOD Single : A 307 ASN : amide:sc= -0.22 K(o=-0.22,f=-4.9!) USER MOD Single : A 308 THR OG1 : rot -74:sc= 0.0117 USER MOD Single : A 310 THR OG1 : rot -110:sc= 0.451 USER MOD Single : A 314 TYR OH : rot 150:sc= 0 USER MOD Single : A 319 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 323 THR OG1 : rot 171:sc= -1.8! USER MOD Single : A 324 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot -41:sc= 0.0703 USER MOD Single : A 333 ASN :FLIP amide:sc=-0.00606 F(o=-1.8!,f=-0.0061) USER MOD Single : B 206 SER OG : rot -75:sc= 0.622 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -160:sc= -0.167 (180deg=-0.739) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 297 4.905 3.977 15.861 1.00 15.00 N ATOM 2 CA GLY A 297 4.762 3.537 14.453 1.00 15.00 C ATOM 3 C GLY A 297 5.368 4.522 13.478 1.00 15.00 C ATOM 4 O GLY A 297 4.683 5.432 13.012 1.00 15.00 O ATOM 0 HA2 GLY A 297 5.240 2.565 14.328 1.00 15.00 H new ATOM 0 HA3 GLY A 297 3.705 3.404 14.222 1.00 15.00 H new ATOM 10 N PRO A 298 6.659 4.374 13.147 1.00 15.00 N ATOM 11 CA PRO A 298 7.336 5.280 12.230 1.00 15.00 C ATOM 12 C PRO A 298 7.003 4.983 10.763 1.00 15.00 C ATOM 13 O PRO A 298 7.468 3.988 10.200 1.00 15.00 O ATOM 14 CB PRO A 298 8.815 5.027 12.511 1.00 15.00 C ATOM 15 CG PRO A 298 8.882 3.616 12.992 1.00 15.00 C ATOM 16 CD PRO A 298 7.557 3.314 13.644 1.00 15.00 C ATOM 0 HA PRO A 298 7.033 6.316 12.381 1.00 15.00 H new ATOM 0 HB2 PRO A 298 9.417 5.167 11.613 1.00 15.00 H new ATOM 0 HB3 PRO A 298 9.198 5.718 13.262 1.00 15.00 H new ATOM 0 HG2 PRO A 298 9.069 2.934 12.163 1.00 15.00 H new ATOM 0 HG3 PRO A 298 9.700 3.488 13.701 1.00 15.00 H new ATOM 0 HD2 PRO A 298 7.194 2.324 13.369 1.00 15.00 H new ATOM 0 HD3 PRO A 298 7.634 3.335 14.731 1.00 15.00 H new ATOM 24 N LEU A 299 6.160 5.815 10.160 1.00 15.00 N ATOM 25 CA LEU A 299 5.837 5.683 8.750 1.00 15.00 C ATOM 26 C LEU A 299 6.730 6.613 7.938 1.00 15.00 C ATOM 27 O LEU A 299 6.852 7.792 8.263 1.00 15.00 O ATOM 28 CB LEU A 299 4.366 6.034 8.510 1.00 15.00 C ATOM 29 CG LEU A 299 3.852 5.781 7.092 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.588 4.297 6.858 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.601 6.604 6.836 1.00 15.00 C ATOM 0 H LEU A 299 5.689 6.588 10.630 1.00 15.00 H new ATOM 0 HA LEU A 299 6.006 4.652 8.439 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.755 5.460 9.207 1.00 15.00 H new ATOM 0 HB3 LEU A 299 4.218 7.087 8.749 1.00 15.00 H new ATOM 0 HG LEU A 299 4.622 6.091 6.386 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.224 4.148 5.842 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.512 3.737 6.998 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.839 3.944 7.567 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.243 6.417 5.824 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.828 6.324 7.552 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.833 7.663 6.949 1.00 15.00 H new ATOM 43 N PRO A 300 7.382 6.103 6.886 1.00 15.00 N ATOM 44 CA PRO A 300 8.229 6.921 6.014 1.00 15.00 C ATOM 45 C PRO A 300 7.412 7.987 5.280 1.00 15.00 C ATOM 46 O PRO A 300 6.396 7.677 4.663 1.00 15.00 O ATOM 47 CB PRO A 300 8.819 5.909 5.023 1.00 15.00 C ATOM 48 CG PRO A 300 8.605 4.573 5.650 1.00 15.00 C ATOM 49 CD PRO A 300 7.346 4.699 6.455 1.00 15.00 C ATOM 0 HA PRO A 300 8.991 7.467 6.570 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.324 5.973 4.054 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.879 6.098 4.852 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.509 3.796 4.892 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.449 4.298 6.283 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.460 4.480 5.859 1.00 15.00 H new ATOM 0 HD3 PRO A 300 7.337 4.014 7.303 1.00 15.00 H new ATOM 57 N PRO A 301 7.854 9.254 5.330 1.00 15.00 N ATOM 58 CA PRO A 301 7.112 10.394 4.760 1.00 15.00 C ATOM 59 C PRO A 301 6.974 10.343 3.233 1.00 15.00 C ATOM 60 O PRO A 301 6.237 11.136 2.644 1.00 15.00 O ATOM 61 CB PRO A 301 7.943 11.616 5.179 1.00 15.00 C ATOM 62 CG PRO A 301 8.825 11.132 6.277 1.00 15.00 C ATOM 63 CD PRO A 301 9.103 9.692 5.971 1.00 15.00 C ATOM 0 HA PRO A 301 6.084 10.405 5.122 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.529 11.999 4.343 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.302 12.430 5.519 1.00 15.00 H new ATOM 0 HG2 PRO A 301 9.749 11.708 6.319 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.338 11.239 7.246 1.00 15.00 H new ATOM 0 HD2 PRO A 301 9.961 9.577 5.309 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.318 9.120 6.874 1.00 15.00 H new ATOM 71 N GLY A 302 7.716 9.445 2.595 1.00 15.00 N ATOM 72 CA GLY A 302 7.563 9.235 1.163 1.00 15.00 C ATOM 73 C GLY A 302 6.592 8.111 0.863 1.00 15.00 C ATOM 74 O GLY A 302 6.109 7.963 -0.265 1.00 15.00 O ATOM 0 H GLY A 302 8.421 8.858 3.041 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.211 10.155 0.696 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.533 9.005 0.723 1.00 15.00 H new ATOM 78 N TRP A 303 6.300 7.333 1.890 1.00 15.00 N ATOM 79 CA TRP A 303 5.469 6.151 1.770 1.00 15.00 C ATOM 80 C TRP A 303 4.018 6.467 2.063 1.00 15.00 C ATOM 81 O TRP A 303 3.716 7.346 2.872 1.00 15.00 O ATOM 82 CB TRP A 303 5.937 5.088 2.739 1.00 15.00 C ATOM 83 CG TRP A 303 7.011 4.224 2.188 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.326 4.539 2.017 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.854 2.885 1.742 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.998 3.462 1.505 1.00 15.00 N ATOM 87 CE2 TRP A 303 8.108 2.435 1.330 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.771 2.015 1.657 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.303 1.157 0.850 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.976 0.747 1.178 1.00 15.00 C ATOM 91 CH2 TRP A 303 7.231 0.326 0.783 1.00 15.00 C ATOM 0 H TRP A 303 6.636 7.506 2.837 1.00 15.00 H new ATOM 0 HA TRP A 303 5.554 5.792 0.744 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.297 5.568 3.649 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.088 4.465 3.022 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.771 5.495 2.250 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.995 3.429 1.290 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.786 2.334 1.963 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.282 0.826 0.536 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 5.141 0.065 1.108 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.362 -0.681 0.415 1.00 15.00 H new ATOM 102 N GLU A 304 3.121 5.726 1.440 1.00 15.00 N ATOM 103 CA GLU A 304 1.695 5.983 1.632 1.00 15.00 C ATOM 104 C GLU A 304 0.952 4.713 2.046 1.00 15.00 C ATOM 105 O GLU A 304 0.853 3.764 1.285 1.00 15.00 O ATOM 106 CB GLU A 304 1.110 6.594 0.358 1.00 15.00 C ATOM 107 CG GLU A 304 1.497 8.047 0.164 1.00 15.00 C ATOM 108 CD GLU A 304 0.528 9.004 0.826 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.252 8.845 2.034 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.030 9.910 0.125 1.00 15.00 O ATOM 0 H GLU A 304 3.341 4.956 0.808 1.00 15.00 H new ATOM 0 HA GLU A 304 1.569 6.696 2.447 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.447 6.016 -0.503 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.023 6.515 0.390 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.496 8.210 0.569 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.546 8.266 -0.903 1.00 15.00 H new ATOM 117 N ILE A 305 0.433 4.704 3.263 1.00 15.00 N ATOM 118 CA ILE A 305 -0.195 3.509 3.815 1.00 15.00 C ATOM 119 C ILE A 305 -1.723 3.559 3.698 1.00 15.00 C ATOM 120 O ILE A 305 -2.370 4.455 4.242 1.00 15.00 O ATOM 121 CB ILE A 305 0.208 3.307 5.298 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.525 2.105 5.905 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.066 4.567 6.109 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.169 1.844 7.357 1.00 15.00 C ATOM 0 H ILE A 305 0.433 5.509 3.889 1.00 15.00 H new ATOM 0 HA ILE A 305 0.163 2.664 3.227 1.00 15.00 H new ATOM 0 HB ILE A 305 1.279 3.105 5.331 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.600 2.269 5.827 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.295 1.216 5.318 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.224 4.402 7.147 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.510 5.396 5.698 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.129 4.805 6.063 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.726 0.979 7.718 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.900 1.648 7.440 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.425 2.717 7.957 1.00 15.00 H new ATOM 136 N ARG A 306 -2.297 2.607 2.962 1.00 15.00 N ATOM 137 CA ARG A 306 -3.746 2.468 2.901 1.00 15.00 C ATOM 138 C ARG A 306 -4.129 0.993 2.925 1.00 15.00 C ATOM 139 O ARG A 306 -3.422 0.150 2.372 1.00 15.00 O ATOM 140 CB ARG A 306 -4.322 3.149 1.655 1.00 15.00 C ATOM 141 CG ARG A 306 -3.975 4.627 1.552 1.00 15.00 C ATOM 142 CD ARG A 306 -5.048 5.419 0.829 1.00 15.00 C ATOM 143 NE ARG A 306 -6.361 5.274 1.456 1.00 15.00 N ATOM 144 CZ ARG A 306 -6.803 6.038 2.455 1.00 15.00 C ATOM 145 NH1 ARG A 306 -6.035 7.003 2.946 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.013 5.839 2.962 1.00 15.00 N ATOM 0 H ARG A 306 -1.782 1.926 2.404 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.171 2.963 3.774 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -3.953 2.635 0.767 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.406 3.039 1.660 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -3.836 5.036 2.553 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.027 4.740 1.027 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -4.770 6.473 0.813 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.104 5.088 -0.208 1.00 15.00 H new ATOM 0 HE ARG A 306 -6.978 4.541 1.107 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -5.105 7.161 2.559 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -6.375 7.586 3.710 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.608 5.100 2.587 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -8.348 6.425 3.726 1.00 15.00 H new ATOM 160 N ASN A 307 -5.247 0.691 3.565 1.00 15.00 N ATOM 161 CA ASN A 307 -5.708 -0.685 3.712 1.00 15.00 C ATOM 162 C ASN A 307 -7.002 -0.900 2.917 1.00 15.00 C ATOM 163 O ASN A 307 -7.902 -0.062 2.971 1.00 15.00 O ATOM 164 CB ASN A 307 -5.962 -0.966 5.197 1.00 15.00 C ATOM 165 CG ASN A 307 -6.097 -2.442 5.529 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.487 -3.258 4.702 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.774 -2.791 6.763 1.00 15.00 N ATOM 0 H ASN A 307 -5.858 1.385 3.995 1.00 15.00 H new ATOM 0 HA ASN A 307 -4.947 -1.365 3.328 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.144 -0.545 5.782 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.872 -0.450 5.504 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.846 -3.766 7.053 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.453 -2.085 7.425 1.00 15.00 H new ATOM 174 N THR A 308 -7.104 -2.010 2.186 1.00 15.00 N ATOM 175 CA THR A 308 -8.348 -2.353 1.505 1.00 15.00 C ATOM 176 C THR A 308 -9.213 -3.248 2.391 1.00 15.00 C ATOM 177 O THR A 308 -8.697 -4.130 3.084 1.00 15.00 O ATOM 178 CB THR A 308 -8.093 -3.056 0.151 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.796 -3.672 0.137 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.215 -2.079 -1.015 1.00 15.00 C ATOM 0 H THR A 308 -6.347 -2.680 2.052 1.00 15.00 H new ATOM 0 HA THR A 308 -8.872 -1.418 1.306 1.00 15.00 H new ATOM 0 HB THR A 308 -8.855 -3.826 0.033 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.107 -2.981 0.045 1.00 15.00 H new ATOM 0 HG21 THR A 308 -8.030 -2.605 -1.951 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.218 -1.654 -1.030 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.484 -1.279 -0.898 1.00 15.00 H new ATOM 188 N ALA A 309 -10.525 -3.035 2.345 1.00 15.00 N ATOM 189 CA ALA A 309 -11.469 -3.735 3.218 1.00 15.00 C ATOM 190 C ALA A 309 -11.465 -5.244 2.973 1.00 15.00 C ATOM 191 O ALA A 309 -11.982 -6.015 3.782 1.00 15.00 O ATOM 192 CB ALA A 309 -12.871 -3.180 3.025 1.00 15.00 C ATOM 0 H ALA A 309 -10.965 -2.375 1.704 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.149 -3.568 4.246 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.565 -3.708 3.679 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -12.879 -2.118 3.270 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.176 -3.316 1.987 1.00 15.00 H new ATOM 198 N THR A 310 -10.886 -5.653 1.853 1.00 15.00 N ATOM 199 CA THR A 310 -10.716 -7.066 1.536 1.00 15.00 C ATOM 200 C THR A 310 -9.770 -7.752 2.525 1.00 15.00 C ATOM 201 O THR A 310 -9.700 -8.981 2.585 1.00 15.00 O ATOM 202 CB THR A 310 -10.182 -7.245 0.104 1.00 15.00 C ATOM 203 OG1 THR A 310 -9.344 -6.132 -0.244 1.00 15.00 O ATOM 204 CG2 THR A 310 -11.324 -7.366 -0.895 1.00 15.00 C ATOM 0 H THR A 310 -10.522 -5.019 1.141 1.00 15.00 H new ATOM 0 HA THR A 310 -11.697 -7.534 1.614 1.00 15.00 H new ATOM 0 HB THR A 310 -9.599 -8.166 0.068 1.00 15.00 H new ATOM 0 HG1 THR A 310 -9.793 -5.583 -0.920 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.918 -7.492 -1.899 1.00 15.00 H new ATOM 0 HG22 THR A 310 -11.939 -8.230 -0.642 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.934 -6.464 -0.861 1.00 15.00 H new ATOM 212 N GLY A 311 -9.035 -6.951 3.287 1.00 15.00 N ATOM 213 CA GLY A 311 -8.105 -7.496 4.255 1.00 15.00 C ATOM 214 C GLY A 311 -6.699 -7.602 3.700 1.00 15.00 C ATOM 215 O GLY A 311 -6.003 -8.590 3.932 1.00 15.00 O ATOM 0 H GLY A 311 -9.067 -5.932 3.251 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.097 -6.865 5.144 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.446 -8.483 4.568 1.00 15.00 H new ATOM 219 N ARG A 312 -6.288 -6.585 2.954 1.00 15.00 N ATOM 220 CA ARG A 312 -4.967 -6.550 2.347 1.00 15.00 C ATOM 221 C ARG A 312 -4.422 -5.132 2.449 1.00 15.00 C ATOM 222 O ARG A 312 -5.171 -4.171 2.247 1.00 15.00 O ATOM 223 CB ARG A 312 -5.033 -6.936 0.869 1.00 15.00 C ATOM 224 CG ARG A 312 -5.888 -8.142 0.539 1.00 15.00 C ATOM 225 CD ARG A 312 -6.089 -8.242 -0.962 1.00 15.00 C ATOM 226 NE ARG A 312 -7.000 -7.210 -1.462 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.034 -6.789 -2.727 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.277 -7.373 -3.650 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -7.844 -5.796 -3.068 1.00 15.00 N ATOM 0 H ARG A 312 -6.860 -5.764 2.754 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.324 -7.259 2.869 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.411 -6.082 0.307 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.019 -7.126 0.517 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.411 -9.049 0.911 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.853 -8.061 1.039 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.126 -8.150 -1.464 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.485 -9.227 -1.210 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.650 -6.786 -0.800 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.666 -8.148 -3.393 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.307 -7.046 -4.616 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.438 -5.357 -2.364 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.873 -5.471 -4.034 1.00 15.00 H new ATOM 243 N VAL A 313 -3.135 -4.986 2.724 1.00 15.00 N ATOM 244 CA VAL A 313 -2.557 -3.662 2.862 1.00 15.00 C ATOM 245 C VAL A 313 -1.603 -3.356 1.703 1.00 15.00 C ATOM 246 O VAL A 313 -0.748 -4.155 1.366 1.00 15.00 O ATOM 247 CB VAL A 313 -1.812 -3.485 4.198 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.536 -2.011 4.452 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.605 -4.089 5.348 1.00 15.00 C ATOM 0 H VAL A 313 -2.480 -5.757 2.854 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.390 -2.959 2.843 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.861 -4.013 4.134 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.009 -1.897 5.399 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -0.922 -1.611 3.645 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.479 -1.466 4.494 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.057 -3.951 6.280 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.574 -3.596 5.420 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.752 -5.154 5.168 1.00 15.00 H new ATOM 259 N TYR A 314 -1.750 -2.178 1.131 1.00 15.00 N ATOM 260 CA TYR A 314 -1.046 -1.763 -0.048 1.00 15.00 C ATOM 261 C TYR A 314 -0.484 -0.368 0.208 1.00 15.00 C ATOM 262 O TYR A 314 -1.224 0.598 0.422 1.00 15.00 O ATOM 263 CB TYR A 314 -1.988 -1.767 -1.272 1.00 15.00 C ATOM 264 CG TYR A 314 -3.177 -0.835 -1.130 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.246 -1.165 -0.309 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.213 0.389 -1.792 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.311 -0.305 -0.145 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.281 1.254 -1.633 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.323 0.903 -0.806 1.00 15.00 C ATOM 270 OH TYR A 314 -6.387 1.760 -0.642 1.00 15.00 O ATOM 0 H TYR A 314 -2.385 -1.466 1.492 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.232 -2.455 -0.267 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.419 -1.484 -2.158 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.351 -2.782 -1.437 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.244 -2.112 0.210 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.395 0.668 -2.440 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.133 -0.578 0.500 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.297 2.199 -2.155 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.081 2.685 -0.746 1.00 15.00 H new ATOM 280 N PHE A 315 0.818 -0.277 0.270 1.00 15.00 N ATOM 281 CA PHE A 315 1.471 1.000 0.425 1.00 15.00 C ATOM 282 C PHE A 315 1.770 1.571 -0.935 1.00 15.00 C ATOM 283 O PHE A 315 2.546 1.003 -1.680 1.00 15.00 O ATOM 284 CB PHE A 315 2.783 0.861 1.181 1.00 15.00 C ATOM 285 CG PHE A 315 2.669 0.506 2.632 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.929 -0.583 3.045 1.00 15.00 C ATOM 287 CD2 PHE A 315 3.349 1.250 3.581 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.862 -0.920 4.378 1.00 15.00 C ATOM 289 CE2 PHE A 315 3.294 0.914 4.912 1.00 15.00 C ATOM 290 CZ PHE A 315 2.548 -0.175 5.311 1.00 15.00 C ATOM 0 H PHE A 315 1.452 -1.075 0.215 1.00 15.00 H new ATOM 0 HA PHE A 315 0.805 1.654 0.988 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.385 0.099 0.687 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.328 1.801 1.099 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.398 -1.176 2.316 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.930 2.106 3.271 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.272 -1.768 4.692 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.832 1.500 5.642 1.00 15.00 H new ATOM 0 HZ PHE A 315 2.502 -0.444 6.356 1.00 15.00 H new ATOM 300 N VAL A 316 1.203 2.694 -1.264 1.00 15.00 N ATOM 301 CA VAL A 316 1.518 3.280 -2.531 1.00 15.00 C ATOM 302 C VAL A 316 2.729 4.203 -2.350 1.00 15.00 C ATOM 303 O VAL A 316 2.694 5.143 -1.557 1.00 15.00 O ATOM 304 CB VAL A 316 0.316 4.025 -3.163 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.705 3.027 -3.683 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.355 4.968 -2.186 1.00 15.00 C ATOM 0 H VAL A 316 0.537 3.211 -0.690 1.00 15.00 H new ATOM 0 HA VAL A 316 1.762 2.484 -3.235 1.00 15.00 H new ATOM 0 HB VAL A 316 0.709 4.622 -3.986 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.545 3.563 -4.125 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.242 2.392 -4.438 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.062 2.409 -2.859 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.191 5.466 -2.677 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.722 4.403 -1.329 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.364 5.714 -1.848 1.00 15.00 H new ATOM 316 N ASP A 317 3.831 3.905 -3.033 1.00 15.00 N ATOM 317 CA ASP A 317 5.048 4.656 -2.846 1.00 15.00 C ATOM 318 C ASP A 317 5.004 5.798 -3.823 1.00 15.00 C ATOM 319 O ASP A 317 4.892 5.566 -5.031 1.00 15.00 O ATOM 320 CB ASP A 317 6.303 3.825 -3.163 1.00 15.00 C ATOM 321 CG ASP A 317 6.152 2.341 -2.924 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.675 1.651 -3.845 1.00 15.00 O ATOM 323 OD2 ASP A 317 6.570 1.861 -1.856 1.00 15.00 O1- ATOM 0 H ASP A 317 3.897 3.150 -3.716 1.00 15.00 H new ATOM 0 HA ASP A 317 5.108 4.974 -1.805 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.575 3.986 -4.206 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.130 4.195 -2.557 1.00 15.00 H new ATOM 328 N HIS A 318 5.049 7.023 -3.321 1.00 15.00 N ATOM 329 CA HIS A 318 5.094 8.191 -4.191 1.00 15.00 C ATOM 330 C HIS A 318 6.487 8.313 -4.799 1.00 15.00 C ATOM 331 O HIS A 318 6.704 9.053 -5.754 1.00 15.00 O ATOM 332 CB HIS A 318 4.709 9.476 -3.441 1.00 15.00 C ATOM 333 CG HIS A 318 3.251 9.577 -3.060 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.269 8.721 -3.522 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.614 10.457 -2.247 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.105 9.072 -3.010 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.280 10.119 -2.226 1.00 15.00 N ATOM 0 H HIS A 318 5.055 7.235 -2.323 1.00 15.00 H new ATOM 0 HA HIS A 318 4.361 8.058 -4.987 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.312 9.545 -2.536 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.967 10.333 -4.062 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.072 11.276 -1.712 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.162 8.582 -3.201 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.551 10.596 -1.695 1.00 15.00 H new ATOM 346 N ASN A 319 7.429 7.580 -4.214 1.00 15.00 N ATOM 347 CA ASN A 319 8.800 7.532 -4.707 1.00 15.00 C ATOM 348 C ASN A 319 8.885 6.749 -6.016 1.00 15.00 C ATOM 349 O ASN A 319 9.517 7.190 -6.973 1.00 15.00 O ATOM 350 CB ASN A 319 9.715 6.875 -3.667 1.00 15.00 C ATOM 351 CG ASN A 319 9.698 7.589 -2.329 1.00 15.00 C ATOM 352 OD1 ASN A 319 8.825 7.350 -1.499 1.00 15.00 O ATOM 353 ND2 ASN A 319 10.678 8.445 -2.102 1.00 15.00 N ATOM 0 H ASN A 319 7.264 7.005 -3.388 1.00 15.00 H new ATOM 0 HA ASN A 319 9.125 8.557 -4.887 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.408 5.839 -3.524 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.736 6.855 -4.049 1.00 15.00 H new ATOM 0 HD21 ASN A 319 10.729 8.936 -1.210 1.00 15.00 H new ATOM 0 HD22 ASN A 319 11.383 8.615 -2.819 1.00 15.00 H new ATOM 360 N ASN A 320 8.273 5.569 -6.039 1.00 15.00 N ATOM 361 CA ASN A 320 8.358 4.687 -7.204 1.00 15.00 C ATOM 362 C ASN A 320 7.050 4.647 -8.016 1.00 15.00 C ATOM 363 O ASN A 320 7.038 4.173 -9.150 1.00 15.00 O ATOM 364 CB ASN A 320 8.768 3.280 -6.755 1.00 15.00 C ATOM 365 CG ASN A 320 9.099 2.363 -7.916 1.00 15.00 C ATOM 366 OD1 ASN A 320 10.205 2.399 -8.453 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.163 1.509 -8.283 1.00 15.00 N ATOM 0 H ASN A 320 7.715 5.200 -5.269 1.00 15.00 H new ATOM 0 HA ASN A 320 9.118 5.093 -7.871 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.634 3.352 -6.097 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.960 2.841 -6.171 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.344 0.847 -9.037 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.258 1.511 -7.812 1.00 15.00 H new ATOM 374 N ARG A 321 5.958 5.141 -7.428 1.00 15.00 N ATOM 375 CA ARG A 321 4.630 5.124 -8.058 1.00 15.00 C ATOM 376 C ARG A 321 4.093 3.700 -8.158 1.00 15.00 C ATOM 377 O ARG A 321 3.563 3.295 -9.188 1.00 15.00 O ATOM 378 CB ARG A 321 4.623 5.784 -9.451 1.00 15.00 C ATOM 379 CG ARG A 321 4.717 7.306 -9.437 1.00 15.00 C ATOM 380 CD ARG A 321 6.079 7.802 -8.974 1.00 15.00 C ATOM 381 NE ARG A 321 7.153 7.395 -9.879 1.00 15.00 N ATOM 382 CZ ARG A 321 8.354 7.967 -9.908 1.00 15.00 C ATOM 383 NH1 ARG A 321 8.615 9.011 -9.132 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 9.285 7.511 -10.741 1.00 15.00 N ATOM 0 H ARG A 321 5.967 5.565 -6.500 1.00 15.00 H new ATOM 0 HA ARG A 321 3.978 5.713 -7.413 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.457 5.388 -10.030 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.709 5.495 -9.970 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.516 7.688 -10.438 1.00 15.00 H new ATOM 0 HG3 ARG A 321 3.945 7.708 -8.781 1.00 15.00 H new ATOM 0 HD2 ARG A 321 6.062 8.889 -8.900 1.00 15.00 H new ATOM 0 HD3 ARG A 321 6.283 7.417 -7.975 1.00 15.00 H new ATOM 0 HE ARG A 321 6.971 6.628 -10.526 1.00 15.00 H new ATOM 0 HH11 ARG A 321 7.894 9.378 -8.511 1.00 15.00 H new ATOM 0 HH12 ARG A 321 9.537 9.447 -9.157 1.00 15.00 H new ATOM 0 HH21 ARG A 321 9.078 6.724 -11.356 1.00 15.00 H new ATOM 0 HH22 ARG A 321 10.206 7.948 -10.765 1.00 15.00 H new ATOM 398 N THR A 322 4.202 2.960 -7.068 1.00 15.00 N ATOM 399 CA THR A 322 3.750 1.567 -7.040 1.00 15.00 C ATOM 400 C THR A 322 2.854 1.293 -5.840 1.00 15.00 C ATOM 401 O THR A 322 2.971 1.962 -4.829 1.00 15.00 O ATOM 402 CB THR A 322 4.936 0.589 -7.030 1.00 15.00 C ATOM 403 OG1 THR A 322 6.067 1.194 -6.386 1.00 15.00 O ATOM 404 CG2 THR A 322 5.299 0.167 -8.446 1.00 15.00 C ATOM 0 H THR A 322 4.598 3.294 -6.189 1.00 15.00 H new ATOM 0 HA THR A 322 3.173 1.409 -7.951 1.00 15.00 H new ATOM 0 HB THR A 322 4.645 -0.301 -6.473 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.038 1.001 -5.426 1.00 15.00 H new ATOM 0 HG21 THR A 322 6.141 -0.525 -8.415 1.00 15.00 H new ATOM 0 HG22 THR A 322 4.443 -0.323 -8.910 1.00 15.00 H new ATOM 0 HG23 THR A 322 5.574 1.046 -9.029 1.00 15.00 H new ATOM 412 N THR A 323 1.922 0.357 -5.963 1.00 15.00 N ATOM 413 CA THR A 323 1.126 -0.042 -4.811 1.00 15.00 C ATOM 414 C THR A 323 1.683 -1.345 -4.219 1.00 15.00 C ATOM 415 O THR A 323 1.984 -2.292 -4.949 1.00 15.00 O ATOM 416 CB THR A 323 -0.373 -0.184 -5.154 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.134 -0.352 -3.957 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.646 -1.354 -6.077 1.00 15.00 C ATOM 0 H THR A 323 1.702 -0.132 -6.831 1.00 15.00 H new ATOM 0 HA THR A 323 1.199 0.750 -4.065 1.00 15.00 H new ATOM 0 HB THR A 323 -0.668 0.730 -5.670 1.00 15.00 H new ATOM 0 HG1 THR A 323 -2.090 -0.296 -4.166 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.714 -1.410 -6.287 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.099 -1.217 -7.010 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.322 -2.278 -5.599 1.00 15.00 H new ATOM 426 N GLN A 324 1.825 -1.390 -2.898 1.00 15.00 N ATOM 427 CA GLN A 324 2.597 -2.437 -2.256 1.00 15.00 C ATOM 428 C GLN A 324 1.772 -3.284 -1.288 1.00 15.00 C ATOM 429 O GLN A 324 1.612 -2.921 -0.130 1.00 15.00 O ATOM 430 CB GLN A 324 3.777 -1.830 -1.477 1.00 15.00 C ATOM 431 CG GLN A 324 4.732 -0.990 -2.307 1.00 15.00 C ATOM 432 CD GLN A 324 5.491 -1.800 -3.340 1.00 15.00 C ATOM 433 OE1 GLN A 324 5.050 -1.958 -4.476 1.00 15.00 O ATOM 434 NE2 GLN A 324 6.639 -2.328 -2.948 1.00 15.00 N ATOM 0 H GLN A 324 1.414 -0.712 -2.256 1.00 15.00 H new ATOM 0 HA GLN A 324 2.949 -3.084 -3.059 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.381 -1.212 -0.671 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.340 -2.639 -1.012 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.171 -0.204 -2.811 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.444 -0.498 -1.644 1.00 15.00 H new ATOM 0 HE21 GLN A 324 6.972 -2.175 -1.996 1.00 15.00 H new ATOM 0 HE22 GLN A 324 7.191 -2.889 -3.597 1.00 15.00 H new ATOM 443 N PHE A 325 1.245 -4.406 -1.775 1.00 15.00 N ATOM 444 CA PHE A 325 0.854 -5.521 -0.895 1.00 15.00 C ATOM 445 C PHE A 325 2.106 -6.101 -0.292 1.00 15.00 C ATOM 446 O PHE A 325 2.099 -7.012 0.532 1.00 15.00 O ATOM 447 CB PHE A 325 0.048 -6.589 -1.614 1.00 15.00 C ATOM 448 CG PHE A 325 -1.380 -6.195 -1.733 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.001 -5.518 -0.695 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.098 -6.473 -2.876 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.319 -5.125 -0.813 1.00 15.00 C ATOM 452 CE2 PHE A 325 -3.416 -6.089 -2.990 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.025 -5.410 -1.961 1.00 15.00 C ATOM 0 H PHE A 325 1.077 -4.573 -2.767 1.00 15.00 H new ATOM 0 HA PHE A 325 0.196 -5.136 -0.116 1.00 15.00 H new ATOM 0 HB2 PHE A 325 0.466 -6.757 -2.607 1.00 15.00 H new ATOM 0 HB3 PHE A 325 0.124 -7.532 -1.073 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.452 -5.297 0.209 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -1.622 -6.998 -3.691 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -3.797 -4.593 -0.004 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -3.971 -6.321 -3.887 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.056 -5.101 -2.053 1.00 15.00 H new ATOM 463 N THR A 326 3.185 -5.605 -0.830 1.00 15.00 N ATOM 464 CA THR A 326 4.500 -5.927 -0.342 1.00 15.00 C ATOM 465 C THR A 326 4.796 -4.893 0.723 1.00 15.00 C ATOM 466 O THR A 326 5.317 -3.819 0.433 1.00 15.00 O ATOM 467 CB THR A 326 5.556 -5.853 -1.461 1.00 15.00 C ATOM 468 OG1 THR A 326 5.080 -6.547 -2.619 1.00 15.00 O ATOM 469 CG2 THR A 326 6.872 -6.468 -1.005 1.00 15.00 C ATOM 0 H THR A 326 3.179 -4.963 -1.623 1.00 15.00 H new ATOM 0 HA THR A 326 4.535 -6.946 0.044 1.00 15.00 H new ATOM 0 HB THR A 326 5.728 -4.804 -1.704 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.753 -6.497 -3.330 1.00 15.00 H new ATOM 0 HG21 THR A 326 7.602 -6.404 -1.812 1.00 15.00 H new ATOM 0 HG22 THR A 326 7.244 -5.927 -0.135 1.00 15.00 H new ATOM 0 HG23 THR A 326 6.713 -7.514 -0.741 1.00 15.00 H new ATOM 477 N ASP A 327 4.426 -5.200 1.943 1.00 15.00 N ATOM 478 CA ASP A 327 4.268 -4.172 2.936 1.00 15.00 C ATOM 479 C ASP A 327 4.975 -4.462 4.212 1.00 15.00 C ATOM 480 O ASP A 327 5.165 -5.604 4.632 1.00 15.00 O ATOM 481 CB ASP A 327 2.810 -3.884 3.231 1.00 15.00 C ATOM 482 CG ASP A 327 1.979 -5.128 3.450 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.136 -5.757 4.509 1.00 15.00 O ATOM 484 OD2 ASP A 327 1.166 -5.467 2.585 1.00 15.00 O1- ATOM 0 H ASP A 327 4.231 -6.147 2.268 1.00 15.00 H new ATOM 0 HA ASP A 327 4.730 -3.290 2.492 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.745 -3.253 4.118 1.00 15.00 H new ATOM 0 HB3 ASP A 327 2.386 -3.315 2.403 1.00 15.00 H new ATOM 489 N PRO A 328 5.356 -3.370 4.837 1.00 15.00 N ATOM 490 CA PRO A 328 5.933 -3.360 6.156 1.00 15.00 C ATOM 491 C PRO A 328 4.877 -3.819 7.176 1.00 15.00 C ATOM 492 O PRO A 328 5.186 -4.105 8.331 1.00 15.00 O ATOM 493 CB PRO A 328 6.373 -1.891 6.339 1.00 15.00 C ATOM 494 CG PRO A 328 6.259 -1.272 4.969 1.00 15.00 C ATOM 495 CD PRO A 328 5.178 -2.012 4.303 1.00 15.00 C ATOM 0 HA PRO A 328 6.775 -4.038 6.297 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.736 -1.376 7.058 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.394 -1.829 6.715 1.00 15.00 H new ATOM 0 HG2 PRO A 328 6.027 -0.209 5.035 1.00 15.00 H new ATOM 0 HG3 PRO A 328 7.195 -1.360 4.417 1.00 15.00 H new ATOM 0 HD2 PRO A 328 4.196 -1.605 4.545 1.00 15.00 H new ATOM 0 HD3 PRO A 328 5.275 -1.985 3.218 1.00 15.00 H new ATOM 503 N ARG A 329 3.610 -3.841 6.725 1.00 15.00 N ATOM 504 CA ARG A 329 2.490 -4.332 7.530 1.00 15.00 C ATOM 505 C ARG A 329 2.638 -5.819 7.861 1.00 15.00 C ATOM 506 O ARG A 329 2.776 -6.188 9.029 1.00 15.00 O ATOM 507 CB ARG A 329 1.135 -4.075 6.828 1.00 15.00 C ATOM 508 CG ARG A 329 0.660 -2.632 6.943 1.00 15.00 C ATOM 509 CD ARG A 329 0.372 -2.230 8.388 1.00 15.00 C ATOM 510 NE ARG A 329 1.592 -2.106 9.192 1.00 15.00 N ATOM 511 CZ ARG A 329 1.711 -2.565 10.442 1.00 15.00 C ATOM 512 NH1 ARG A 329 0.684 -3.149 11.044 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 2.856 -2.432 11.097 1.00 15.00 N ATOM 0 H ARG A 329 3.340 -3.519 5.796 1.00 15.00 H new ATOM 0 HA ARG A 329 2.507 -3.773 8.466 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.224 -4.338 5.774 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.380 -4.734 7.258 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.418 -1.968 6.528 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.242 -2.500 6.345 1.00 15.00 H new ATOM 0 HD2 ARG A 329 -0.163 -1.280 8.397 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.285 -2.971 8.843 1.00 15.00 H new ATOM 0 HE ARG A 329 2.398 -1.642 8.773 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -0.204 -3.251 10.553 1.00 15.00 H new ATOM 0 HH12 ARG A 329 0.782 -3.497 11.998 1.00 15.00 H new ATOM 0 HH21 ARG A 329 3.651 -1.978 10.647 1.00 15.00 H new ATOM 0 HH22 ARG A 329 2.942 -2.784 12.051 1.00 15.00 H new ATOM 527 N LEU A 330 2.623 -6.661 6.840 1.00 15.00 N ATOM 528 CA LEU A 330 2.704 -8.106 7.027 1.00 15.00 C ATOM 529 C LEU A 330 4.087 -8.516 7.520 1.00 15.00 C ATOM 530 O LEU A 330 4.283 -9.631 8.000 1.00 15.00 O ATOM 531 CB LEU A 330 2.368 -8.832 5.718 1.00 15.00 C ATOM 532 CG LEU A 330 2.268 -10.358 5.816 1.00 15.00 C ATOM 533 CD1 LEU A 330 1.147 -10.761 6.764 1.00 15.00 C ATOM 534 CD2 LEU A 330 2.043 -10.964 4.439 1.00 15.00 C ATOM 0 H LEU A 330 2.555 -6.368 5.865 1.00 15.00 H new ATOM 0 HA LEU A 330 1.975 -8.392 7.785 1.00 15.00 H new ATOM 0 HB2 LEU A 330 1.420 -8.447 5.342 1.00 15.00 H new ATOM 0 HB3 LEU A 330 3.129 -8.582 4.979 1.00 15.00 H new ATOM 0 HG LEU A 330 3.208 -10.740 6.214 1.00 15.00 H new ATOM 0 HD11 LEU A 330 1.091 -11.848 6.821 1.00 15.00 H new ATOM 0 HD12 LEU A 330 1.346 -10.356 7.756 1.00 15.00 H new ATOM 0 HD13 LEU A 330 0.200 -10.368 6.395 1.00 15.00 H new ATOM 0 HD21 LEU A 330 1.974 -12.048 4.526 1.00 15.00 H new ATOM 0 HD22 LEU A 330 1.117 -10.574 4.017 1.00 15.00 H new ATOM 0 HD23 LEU A 330 2.877 -10.704 3.787 1.00 15.00 H new ATOM 546 N SER A 331 5.043 -7.613 7.395 1.00 15.00 N ATOM 547 CA SER A 331 6.394 -7.861 7.873 1.00 15.00 C ATOM 548 C SER A 331 6.495 -7.578 9.376 1.00 15.00 C ATOM 549 O SER A 331 7.501 -7.890 10.014 1.00 15.00 O ATOM 550 CB SER A 331 7.390 -7.000 7.091 1.00 15.00 C ATOM 551 OG SER A 331 8.731 -7.367 7.370 1.00 15.00 O ATOM 0 H SER A 331 4.909 -6.698 6.965 1.00 15.00 H new ATOM 0 HA SER A 331 6.637 -8.911 7.711 1.00 15.00 H new ATOM 0 HB2 SER A 331 7.199 -7.102 6.023 1.00 15.00 H new ATOM 0 HB3 SER A 331 7.240 -5.950 7.343 1.00 15.00 H new ATOM 0 HG SER A 331 8.828 -7.550 8.328 1.00 15.00 H new ATOM 557 N ALA A 332 5.451 -6.979 9.938 1.00 15.00 N ATOM 558 CA ALA A 332 5.453 -6.614 11.348 1.00 15.00 C ATOM 559 C ALA A 332 4.352 -7.337 12.123 1.00 15.00 C ATOM 560 O ALA A 332 4.601 -7.848 13.214 1.00 15.00 O ATOM 561 CB ALA A 332 5.305 -5.109 11.501 1.00 15.00 C ATOM 0 H ALA A 332 4.595 -6.737 9.439 1.00 15.00 H new ATOM 0 HA ALA A 332 6.409 -6.925 11.769 1.00 15.00 H new ATOM 0 HB1 ALA A 332 5.308 -4.849 12.559 1.00 15.00 H new ATOM 0 HB2 ALA A 332 6.135 -4.609 11.002 1.00 15.00 H new ATOM 0 HB3 ALA A 332 4.365 -4.788 11.051 1.00 15.00 H new ATOM 567 N ASN A 333 3.148 -7.381 11.549 1.00 15.00 N ATOM 568 CA ASN A 333 1.976 -7.986 12.204 1.00 15.00 C ATOM 569 C ASN A 333 1.552 -7.153 13.411 1.00 15.00 C ATOM 570 O ASN A 333 1.953 -7.485 14.545 1.00 15.00 O ATOM 571 CB ASN A 333 2.232 -9.440 12.644 1.00 15.00 C ATOM 572 CG ASN A 333 2.256 -10.435 11.494 1.00 15.00 C ATOM 573 OD1 ASN A 333 2.744 -10.013 10.341 1.00 15.00 O flip ATOM 574 ND2 ASN A 333 1.851 -11.587 11.653 1.00 15.00 N flip ATOM 575 OXT ASN A 333 0.837 -6.151 13.217 1.00 15.00 O ATOM 0 H ASN A 333 2.954 -7.002 10.622 1.00 15.00 H new ATOM 0 HA ASN A 333 1.175 -8.001 11.465 1.00 15.00 H new ATOM 0 HB2 ASN A 333 3.184 -9.487 13.173 1.00 15.00 H new ATOM 0 HB3 ASN A 333 1.459 -9.737 13.353 1.00 15.00 H new ATOM 0 HD21 ASN A 333 1.481 -11.877 12.558 1.00 15.00 H new ATOM 0 HD22 ASN A 333 1.886 -12.251 10.880 1.00 15.00 H new TER 582 ASN A 333 ATOM 583 N GLU B 203 3.351 -10.602 -6.904 1.00 15.00 N ATOM 584 CA GLU B 203 3.112 -10.656 -5.442 1.00 15.00 C ATOM 585 C GLU B 203 2.266 -11.878 -5.106 1.00 15.00 C ATOM 586 O GLU B 203 1.440 -12.306 -5.906 1.00 15.00 O ATOM 587 CB GLU B 203 2.424 -9.366 -4.948 1.00 15.00 C ATOM 588 CG GLU B 203 1.024 -9.127 -5.503 1.00 15.00 C ATOM 589 CD GLU B 203 1.018 -8.789 -6.978 1.00 15.00 C ATOM 590 OE1 GLU B 203 1.015 -9.723 -7.805 1.00 15.00 O1- ATOM 591 OE2 GLU B 203 1.033 -7.593 -7.313 1.00 15.00 O ATOM 0 HA GLU B 203 4.072 -10.736 -4.932 1.00 15.00 H new ATOM 0 HB2 GLU B 203 2.366 -9.397 -3.860 1.00 15.00 H new ATOM 0 HB3 GLU B 203 3.052 -8.514 -5.210 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.418 -10.018 -5.338 1.00 15.00 H new ATOM 0 HG3 GLU B 203 0.554 -8.315 -4.949 1.00 15.00 H new ATOM 600 N LEU B 204 2.467 -12.428 -3.912 1.00 15.00 N ATOM 601 CA LEU B 204 1.773 -13.648 -3.498 1.00 15.00 C ATOM 602 C LEU B 204 0.308 -13.365 -3.149 1.00 15.00 C ATOM 603 O LEU B 204 -0.488 -14.283 -2.957 1.00 15.00 O ATOM 604 CB LEU B 204 2.494 -14.274 -2.297 1.00 15.00 C ATOM 605 CG LEU B 204 1.957 -15.630 -1.836 1.00 15.00 C ATOM 606 CD1 LEU B 204 2.130 -16.677 -2.927 1.00 15.00 C ATOM 607 CD2 LEU B 204 2.653 -16.066 -0.555 1.00 15.00 C ATOM 0 H LEU B 204 3.105 -12.049 -3.212 1.00 15.00 H new ATOM 0 HA LEU B 204 1.787 -14.348 -4.333 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.549 -14.388 -2.548 1.00 15.00 H new ATOM 0 HB3 LEU B 204 2.439 -13.578 -1.460 1.00 15.00 H new ATOM 0 HG LEU B 204 0.891 -15.528 -1.632 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.742 -17.634 -2.578 1.00 15.00 H new ATOM 0 HD12 LEU B 204 1.584 -16.367 -3.818 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.188 -16.781 -3.167 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.261 -17.033 -0.239 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.725 -16.150 -0.734 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.473 -15.328 0.226 1.00 15.00 H new ATOM 619 N GLU B 205 -0.038 -12.091 -3.061 1.00 15.00 N ATOM 620 CA GLU B 205 -1.389 -11.684 -2.713 1.00 15.00 C ATOM 621 C GLU B 205 -2.139 -11.236 -3.968 1.00 15.00 C ATOM 622 O GLU B 205 -1.521 -10.878 -4.971 1.00 15.00 O ATOM 623 CB GLU B 205 -1.327 -10.560 -1.666 1.00 15.00 C ATOM 624 CG GLU B 205 -2.682 -10.117 -1.133 1.00 15.00 C ATOM 625 CD GLU B 205 -3.526 -11.276 -0.640 1.00 15.00 C ATOM 626 OE1 GLU B 205 -3.277 -11.775 0.477 1.00 15.00 O1- ATOM 627 OE2 GLU B 205 -4.442 -11.694 -1.379 1.00 15.00 O ATOM 0 H GLU B 205 0.604 -11.316 -3.227 1.00 15.00 H new ATOM 0 HA GLU B 205 -1.932 -12.526 -2.284 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -0.713 -10.894 -0.829 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -0.825 -9.698 -2.106 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.533 -9.409 -0.318 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -3.222 -9.589 -1.919 1.00 15.00 H new ATOM 634 N SER B 206 -3.466 -11.274 -3.895 1.00 15.00 N ATOM 635 CA SER B 206 -4.336 -10.835 -4.985 1.00 15.00 C ATOM 636 C SER B 206 -3.955 -9.469 -5.529 1.00 15.00 C ATOM 637 O SER B 206 -3.442 -8.602 -4.822 1.00 15.00 O ATOM 638 CB SER B 206 -5.782 -10.824 -4.515 1.00 15.00 C ATOM 639 OG SER B 206 -5.891 -10.394 -3.168 1.00 15.00 O ATOM 0 H SER B 206 -3.972 -11.611 -3.076 1.00 15.00 H new ATOM 0 HA SER B 206 -4.213 -11.546 -5.802 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.368 -10.166 -5.156 1.00 15.00 H new ATOM 0 HB3 SER B 206 -6.205 -11.824 -4.613 1.00 15.00 H new ATOM 0 HG SER B 206 -5.603 -11.115 -2.570 1.00 15.00 H new ATOM 645 N PRO B 207 -4.283 -9.295 -6.802 1.00 15.00 N ATOM 646 CA PRO B 207 -3.998 -8.091 -7.582 1.00 15.00 C ATOM 647 C PRO B 207 -4.404 -6.812 -6.848 1.00 15.00 C ATOM 648 O PRO B 207 -5.547 -6.670 -6.399 1.00 15.00 O ATOM 649 CB PRO B 207 -4.872 -8.276 -8.827 1.00 15.00 C ATOM 650 CG PRO B 207 -5.084 -9.750 -8.959 1.00 15.00 C ATOM 651 CD PRO B 207 -4.926 -10.344 -7.583 1.00 15.00 C ATOM 0 HA PRO B 207 -2.934 -7.980 -7.789 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.822 -7.752 -8.720 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.383 -7.870 -9.712 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.075 -9.962 -9.359 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -4.362 -10.183 -9.651 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.891 -10.621 -7.157 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.318 -11.248 -7.609 1.00 15.00 H new ATOM 659 N PRO B 208 -3.449 -5.877 -6.701 1.00 15.00 N ATOM 660 CA PRO B 208 -3.633 -4.668 -5.914 1.00 15.00 C ATOM 661 C PRO B 208 -4.260 -3.505 -6.685 1.00 15.00 C ATOM 662 O PRO B 208 -4.243 -3.468 -7.921 1.00 15.00 O ATOM 663 CB PRO B 208 -2.207 -4.321 -5.483 1.00 15.00 C ATOM 664 CG PRO B 208 -1.296 -4.944 -6.494 1.00 15.00 C ATOM 665 CD PRO B 208 -2.101 -5.944 -7.287 1.00 15.00 C ATOM 0 HA PRO B 208 -4.331 -4.835 -5.093 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.065 -3.241 -5.446 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -1.999 -4.705 -4.484 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.878 -4.182 -7.152 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.457 -5.434 -6.001 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -2.116 -5.691 -8.347 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.681 -6.947 -7.204 1.00 15.00 H new ATOM 673 N PRO B 209 -4.803 -2.534 -5.923 1.00 15.00 N ATOM 674 CA PRO B 209 -5.419 -1.310 -6.460 1.00 15.00 C ATOM 675 C PRO B 209 -4.525 -0.584 -7.472 1.00 15.00 C ATOM 676 O PRO B 209 -3.317 -0.476 -7.270 1.00 15.00 O ATOM 677 CB PRO B 209 -5.588 -0.428 -5.215 1.00 15.00 C ATOM 678 CG PRO B 209 -5.633 -1.360 -4.059 1.00 15.00 C ATOM 679 CD PRO B 209 -4.844 -2.575 -4.448 1.00 15.00 C ATOM 0 HA PRO B 209 -6.342 -1.534 -6.994 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.760 0.274 -5.119 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.502 0.163 -5.276 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.210 -0.893 -3.170 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.662 -1.628 -3.819 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -3.841 -2.550 -4.022 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.319 -3.488 -4.090 1.00 15.00 H new ATOM 687 N PRO B 210 -5.110 -0.068 -8.570 1.00 15.00 N ATOM 688 CA PRO B 210 -4.383 0.778 -9.525 1.00 15.00 C ATOM 689 C PRO B 210 -3.792 1.997 -8.824 1.00 15.00 C ATOM 690 O PRO B 210 -4.440 2.586 -7.951 1.00 15.00 O ATOM 691 CB PRO B 210 -5.458 1.203 -10.536 1.00 15.00 C ATOM 692 CG PRO B 210 -6.767 0.896 -9.883 1.00 15.00 C ATOM 693 CD PRO B 210 -6.511 -0.261 -8.964 1.00 15.00 C ATOM 0 HA PRO B 210 -3.546 0.260 -9.993 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.377 2.264 -10.772 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.351 0.659 -11.474 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.138 1.759 -9.330 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -7.524 0.644 -10.626 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.178 -0.247 -8.102 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.661 -1.216 -9.467 1.00 15.00 H new ATOM 701 N TYR B 211 -2.575 2.386 -9.208 1.00 15.00 N ATOM 702 CA TYR B 211 -1.847 3.409 -8.469 1.00 15.00 C ATOM 703 C TYR B 211 -2.534 4.768 -8.528 1.00 15.00 C ATOM 704 O TYR B 211 -2.388 5.525 -9.490 1.00 15.00 O ATOM 705 CB TYR B 211 -0.395 3.550 -8.939 1.00 15.00 C ATOM 706 CG TYR B 211 0.411 4.488 -8.057 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.663 4.165 -6.730 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.917 5.692 -8.541 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.389 5.008 -5.917 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.644 6.540 -7.722 1.00 15.00 C ATOM 711 CZ TYR B 211 1.874 6.189 -6.414 1.00 15.00 C ATOM 712 OH TYR B 211 2.607 7.021 -5.601 1.00 15.00 O ATOM 0 H TYR B 211 -2.080 2.011 -10.017 1.00 15.00 H new ATOM 0 HA TYR B 211 -1.843 3.067 -7.434 1.00 15.00 H new ATOM 0 HB2 TYR B 211 0.078 2.568 -8.948 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.382 3.919 -9.964 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.283 3.237 -6.328 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.740 5.968 -9.570 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.576 4.738 -4.888 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.028 7.472 -8.110 1.00 15.00 H new ATOM 0 HH TYR B 211 2.014 7.443 -4.945 1.00 15.00 H new ATOM 722 N SER B 212 -3.327 5.027 -7.510 1.00 15.00 N ATOM 723 CA SER B 212 -3.834 6.348 -7.233 1.00 15.00 C ATOM 724 C SER B 212 -3.082 6.840 -6.010 1.00 15.00 C ATOM 725 O SER B 212 -2.680 6.016 -5.187 1.00 15.00 O ATOM 726 CB SER B 212 -5.336 6.270 -6.958 1.00 15.00 C ATOM 727 OG SER B 212 -5.984 5.469 -7.933 1.00 15.00 O ATOM 0 H SER B 212 -3.639 4.317 -6.847 1.00 15.00 H new ATOM 0 HA SER B 212 -3.691 7.028 -8.073 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.508 5.853 -5.966 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.764 7.273 -6.961 1.00 15.00 H new ATOM 0 HG SER B 212 -6.944 5.430 -7.739 1.00 15.00 H new ATOM 733 N ARG B 213 -2.874 8.145 -5.870 1.00 15.00 N ATOM 734 CA ARG B 213 -2.107 8.632 -4.729 1.00 15.00 C ATOM 735 C ARG B 213 -2.817 8.209 -3.453 1.00 15.00 C ATOM 736 O ARG B 213 -2.215 7.617 -2.559 1.00 15.00 O ATOM 737 CB ARG B 213 -1.954 10.161 -4.717 1.00 15.00 C ATOM 738 CG ARG B 213 -1.688 10.805 -6.062 1.00 15.00 C ATOM 739 CD ARG B 213 -0.514 10.166 -6.794 1.00 15.00 C ATOM 740 NE ARG B 213 -0.332 10.738 -8.127 1.00 15.00 N ATOM 741 CZ ARG B 213 0.827 10.769 -8.786 1.00 15.00 C ATOM 742 NH1 ARG B 213 1.943 10.329 -8.215 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 0.870 11.273 -10.010 1.00 15.00 N ATOM 0 H ARG B 213 -3.213 8.864 -6.509 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.107 8.204 -4.802 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.863 10.595 -4.300 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.138 10.421 -4.043 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -2.582 10.729 -6.681 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.488 11.867 -5.919 1.00 15.00 H new ATOM 0 HD2 ARG B 213 0.397 10.304 -6.211 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.679 9.092 -6.878 1.00 15.00 H new ATOM 0 HE ARG B 213 -1.149 11.142 -8.585 1.00 15.00 H new ATOM 0 HH11 ARG B 213 1.919 9.963 -7.263 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.824 10.357 -8.728 1.00 15.00 H new ATOM 0 HH21 ARG B 213 0.020 11.634 -10.443 1.00 15.00 H new ATOM 0 HH22 ARG B 213 1.753 11.300 -10.520 1.00 15.00 H new ATOM 757 N TYR B 214 -4.091 8.558 -3.366 1.00 15.00 N ATOM 758 CA TYR B 214 -4.923 8.150 -2.249 1.00 15.00 C ATOM 759 C TYR B 214 -6.109 7.334 -2.748 1.00 15.00 C ATOM 760 O TYR B 214 -7.130 7.888 -3.153 1.00 15.00 O ATOM 761 CB TYR B 214 -5.390 9.378 -1.455 1.00 15.00 C ATOM 762 CG TYR B 214 -4.298 10.414 -1.252 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.902 11.241 -2.299 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.651 10.552 -0.031 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.899 12.172 -2.143 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.645 11.488 0.138 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.272 12.294 -0.920 1.00 15.00 C ATOM 768 OH TYR B 214 -1.272 13.225 -0.754 1.00 15.00 O ATOM 0 H TYR B 214 -4.573 9.127 -4.062 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.336 7.521 -1.580 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.228 9.841 -1.976 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.759 9.054 -0.482 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.393 11.151 -3.257 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.936 9.921 0.798 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.606 12.801 -2.971 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.153 11.588 1.094 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.936 13.183 0.166 1.00 15.00 H new ATOM 778 N PRO B 215 -5.954 6.013 -2.793 1.00 15.00 N ATOM 779 CA PRO B 215 -7.024 5.106 -3.183 1.00 15.00 C ATOM 780 C PRO B 215 -8.005 4.867 -2.036 1.00 15.00 C ATOM 781 O PRO B 215 -7.610 4.518 -0.922 1.00 15.00 O ATOM 782 CB PRO B 215 -6.292 3.819 -3.574 1.00 15.00 C ATOM 783 CG PRO B 215 -4.884 3.946 -3.070 1.00 15.00 C ATOM 784 CD PRO B 215 -4.712 5.311 -2.473 1.00 15.00 C ATOM 0 HA PRO B 215 -7.632 5.504 -3.995 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.781 2.949 -3.137 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.304 3.682 -4.655 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.678 3.178 -2.324 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.175 3.797 -3.885 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.554 5.256 -1.396 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.847 5.822 -2.896 1.00 15.00 H new ATOM 792 N MET B 216 -9.286 5.057 -2.313 1.00 15.00 N ATOM 793 CA MET B 216 -10.302 5.017 -1.272 1.00 15.00 C ATOM 794 C MET B 216 -11.076 3.707 -1.293 1.00 15.00 C ATOM 795 O MET B 216 -11.677 3.343 -2.305 1.00 15.00 O ATOM 796 CB MET B 216 -11.269 6.191 -1.427 1.00 15.00 C ATOM 797 CG MET B 216 -10.637 7.543 -1.142 1.00 15.00 C ATOM 798 SD MET B 216 -10.041 7.685 0.555 1.00 15.00 S ATOM 799 CE MET B 216 -11.570 7.464 1.464 1.00 15.00 C ATOM 0 H MET B 216 -9.647 5.240 -3.249 1.00 15.00 H new ATOM 0 HA MET B 216 -9.790 5.093 -0.313 1.00 15.00 H new ATOM 0 HB2 MET B 216 -11.666 6.192 -2.442 1.00 15.00 H new ATOM 0 HB3 MET B 216 -12.114 6.046 -0.754 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.807 7.704 -1.830 1.00 15.00 H new ATOM 0 HG3 MET B 216 -11.367 8.329 -1.334 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.456 7.866 2.471 1.00 15.00 H new ATOM 0 HE2 MET B 216 -12.377 7.989 0.953 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.808 6.402 1.522 1.00 15.00 H new ATOM 809 N ASP B 217 -11.064 3.010 -0.165 1.00 15.00 N ATOM 810 CA ASP B 217 -11.799 1.763 -0.026 1.00 15.00 C ATOM 811 C ASP B 217 -12.232 1.572 1.420 1.00 15.00 C ATOM 812 O ASP B 217 -13.450 1.456 1.668 1.00 15.00 O ATOM 813 CB ASP B 217 -10.954 0.572 -0.479 1.00 15.00 C ATOM 814 CG ASP B 217 -11.743 -0.721 -0.469 1.00 15.00 C ATOM 815 OD1 ASP B 217 -12.734 -0.823 -1.225 1.00 15.00 O ATOM 816 OD2 ASP B 217 -11.373 -1.643 0.278 1.00 15.00 O1- ATOM 817 OXT ASP B 217 -11.355 1.583 2.309 1.00 15.00 O ATOM 0 H ASP B 217 -10.550 3.290 0.670 1.00 15.00 H new ATOM 0 HA ASP B 217 -12.682 1.817 -0.663 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -10.575 0.758 -1.484 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -10.087 0.473 0.175 1.00 15.00 H new TER 822 ASP B 217