USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 315 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= -0.52 K(o=-0.08,f=-0.74) USER MOD Set 1.2: A 322 THR OG1 : rot 66:sc= 0.44 USER MOD Set 2.1: A 318 HIS : no HD1:sc= -2.65! C(o=-1.7!,f=-13!) USER MOD Set 2.2: B 211 TYR OH : rot 64:sc= 0.907 USER MOD Single : A 307 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.4!) USER MOD Single : A 308 THR OG1 : rot 60:sc= -0.261 USER MOD Single : A 310 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 TYR OH : rot 143:sc= 0.219 USER MOD Single : A 319 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 323 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 324 GLN : amide:sc= 0.591 K(o=0.59,f=-3.6!) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 299 5.292 6.022 10.052 1.00 15.00 N ATOM 25 CA LEU A 299 5.145 5.905 8.609 1.00 15.00 C ATOM 26 C LEU A 299 6.140 6.831 7.915 1.00 15.00 C ATOM 27 O LEU A 299 6.208 8.017 8.238 1.00 15.00 O ATOM 28 CB LEU A 299 3.718 6.280 8.197 1.00 15.00 C ATOM 29 CG LEU A 299 3.425 6.197 6.698 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.305 4.748 6.253 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.162 6.972 6.364 1.00 15.00 C ATOM 0 HA LEU A 299 5.342 4.875 8.313 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.022 5.626 8.723 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.516 7.297 8.534 1.00 15.00 H new ATOM 0 HG LEU A 299 4.257 6.647 6.157 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.097 4.712 5.184 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.239 4.226 6.458 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.493 4.266 6.797 1.00 15.00 H new ATOM 0 HD21 LEU A 299 1.966 6.904 5.294 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.321 6.551 6.915 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.292 8.018 6.643 1.00 15.00 H new ATOM 43 N PRO A 300 6.914 6.320 6.945 1.00 15.00 N ATOM 44 CA PRO A 300 7.893 7.134 6.217 1.00 15.00 C ATOM 45 C PRO A 300 7.206 8.163 5.313 1.00 15.00 C ATOM 46 O PRO A 300 6.158 7.879 4.734 1.00 15.00 O ATOM 47 CB PRO A 300 8.665 6.111 5.373 1.00 15.00 C ATOM 48 CG PRO A 300 8.281 4.771 5.909 1.00 15.00 C ATOM 49 CD PRO A 300 6.897 4.930 6.456 1.00 15.00 C ATOM 0 HA PRO A 300 8.532 7.708 6.888 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.406 6.199 4.318 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.740 6.270 5.452 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.307 4.015 5.125 1.00 15.00 H new ATOM 0 HG3 PRO A 300 8.974 4.448 6.686 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.136 4.777 5.690 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.691 4.219 7.256 1.00 15.00 H new ATOM 57 N PRO A 301 7.802 9.359 5.159 1.00 15.00 N ATOM 58 CA PRO A 301 7.191 10.464 4.397 1.00 15.00 C ATOM 59 C PRO A 301 7.057 10.178 2.898 1.00 15.00 C ATOM 60 O PRO A 301 6.301 10.852 2.196 1.00 15.00 O ATOM 61 CB PRO A 301 8.152 11.634 4.630 1.00 15.00 C ATOM 62 CG PRO A 301 9.455 10.997 4.975 1.00 15.00 C ATOM 63 CD PRO A 301 9.113 9.737 5.719 1.00 15.00 C ATOM 0 HA PRO A 301 6.169 10.648 4.729 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.240 12.256 3.739 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.802 12.279 5.436 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.032 10.776 4.077 1.00 15.00 H new ATOM 0 HG3 PRO A 301 10.064 11.660 5.589 1.00 15.00 H new ATOM 0 HD2 PRO A 301 9.859 8.959 5.557 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.058 9.907 6.794 1.00 15.00 H new ATOM 71 N GLY A 302 7.812 9.205 2.411 1.00 15.00 N ATOM 72 CA GLY A 302 7.725 8.822 1.013 1.00 15.00 C ATOM 73 C GLY A 302 6.680 7.752 0.788 1.00 15.00 C ATOM 74 O GLY A 302 6.271 7.489 -0.347 1.00 15.00 O ATOM 0 H GLY A 302 8.486 8.671 2.959 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.484 9.698 0.410 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.695 8.459 0.674 1.00 15.00 H new ATOM 78 N TRP A 303 6.254 7.139 1.881 1.00 15.00 N ATOM 79 CA TRP A 303 5.342 6.010 1.834 1.00 15.00 C ATOM 80 C TRP A 303 3.903 6.438 2.069 1.00 15.00 C ATOM 81 O TRP A 303 3.637 7.387 2.811 1.00 15.00 O ATOM 82 CB TRP A 303 5.743 4.982 2.872 1.00 15.00 C ATOM 83 CG TRP A 303 6.814 4.068 2.394 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.159 4.300 2.379 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.622 2.769 1.847 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.812 3.209 1.876 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.886 2.259 1.544 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.502 1.976 1.589 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.059 1.003 1.005 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.687 0.727 1.049 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.958 0.249 0.764 1.00 15.00 C ATOM 0 H TRP A 303 6.531 7.411 2.824 1.00 15.00 H new ATOM 0 HA TRP A 303 5.404 5.575 0.837 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.084 5.495 3.772 1.00 15.00 H new ATOM 0 HB3 TRP A 303 4.868 4.395 3.152 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.636 5.209 2.714 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.822 3.119 1.767 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.509 2.338 1.810 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.047 0.628 0.780 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.828 0.106 0.843 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.072 -0.739 0.344 1.00 15.00 H new ATOM 102 N GLU A 304 2.978 5.697 1.476 1.00 15.00 N ATOM 103 CA GLU A 304 1.561 6.076 1.514 1.00 15.00 C ATOM 104 C GLU A 304 0.679 4.890 1.902 1.00 15.00 C ATOM 105 O GLU A 304 0.418 4.011 1.095 1.00 15.00 O ATOM 106 CB GLU A 304 1.154 6.650 0.152 1.00 15.00 C ATOM 107 CG GLU A 304 1.699 8.044 -0.091 1.00 15.00 C ATOM 108 CD GLU A 304 0.834 9.135 0.513 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.941 9.391 1.728 1.00 15.00 O ATOM 110 OE2 GLU A 304 0.059 9.760 -0.243 1.00 15.00 O1- ATOM 0 H GLU A 304 3.174 4.836 0.965 1.00 15.00 H new ATOM 0 HA GLU A 304 1.419 6.840 2.278 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.507 5.985 -0.636 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.066 6.674 0.085 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.704 8.113 0.326 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.787 8.211 -1.164 1.00 15.00 H new ATOM 117 N ILE A 305 0.218 4.870 3.144 1.00 15.00 N ATOM 118 CA ILE A 305 -0.478 3.702 3.676 1.00 15.00 C ATOM 119 C ILE A 305 -1.993 3.766 3.441 1.00 15.00 C ATOM 120 O ILE A 305 -2.663 4.705 3.870 1.00 15.00 O ATOM 121 CB ILE A 305 -0.199 3.523 5.191 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.971 2.322 5.748 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.549 4.789 5.964 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.704 2.053 7.214 1.00 15.00 C ATOM 0 H ILE A 305 0.311 5.644 3.802 1.00 15.00 H new ATOM 0 HA ILE A 305 -0.087 2.842 3.132 1.00 15.00 H new ATOM 0 HB ILE A 305 0.867 3.333 5.315 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -2.039 2.491 5.607 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.710 1.435 5.172 1.00 15.00 H new ATOM 0 HG21 ILE A 305 -0.344 4.637 7.024 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.052 5.619 5.594 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.606 5.018 5.828 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -1.285 1.189 7.537 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.357 1.852 7.360 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.992 2.924 7.802 1.00 15.00 H new ATOM 136 N ARG A 306 -2.529 2.765 2.740 1.00 15.00 N ATOM 137 CA ARG A 306 -3.970 2.617 2.605 1.00 15.00 C ATOM 138 C ARG A 306 -4.350 1.145 2.748 1.00 15.00 C ATOM 139 O ARG A 306 -3.582 0.252 2.378 1.00 15.00 O ATOM 140 CB ARG A 306 -4.474 3.162 1.262 1.00 15.00 C ATOM 141 CG ARG A 306 -4.056 4.594 0.968 1.00 15.00 C ATOM 142 CD ARG A 306 -5.076 5.318 0.112 1.00 15.00 C ATOM 143 NE ARG A 306 -6.401 5.358 0.725 1.00 15.00 N ATOM 144 CZ ARG A 306 -6.979 6.475 1.168 1.00 15.00 C ATOM 145 NH1 ARG A 306 -6.312 7.623 1.145 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.218 6.445 1.647 1.00 15.00 N ATOM 0 H ARG A 306 -1.984 2.049 2.260 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.444 3.199 3.395 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.108 2.518 0.462 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.562 3.103 1.245 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -3.922 5.133 1.906 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.091 4.593 0.460 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -4.734 6.337 -0.070 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.144 4.826 -0.858 1.00 15.00 H new ATOM 0 HE ARG A 306 -6.914 4.481 0.820 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -5.357 7.651 0.788 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -6.755 8.477 1.484 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.732 5.564 1.677 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -8.655 7.303 1.985 1.00 15.00 H new ATOM 160 N ASN A 307 -5.542 0.892 3.267 1.00 15.00 N ATOM 161 CA ASN A 307 -5.990 -0.472 3.517 1.00 15.00 C ATOM 162 C ASN A 307 -7.289 -0.748 2.748 1.00 15.00 C ATOM 163 O ASN A 307 -8.203 0.079 2.763 1.00 15.00 O ATOM 164 CB ASN A 307 -6.211 -0.666 5.026 1.00 15.00 C ATOM 165 CG ASN A 307 -6.330 -2.126 5.441 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.791 -2.977 4.684 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.906 -2.428 6.659 1.00 15.00 N ATOM 0 H ASN A 307 -6.217 1.612 3.524 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.230 -1.173 3.173 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.383 -0.209 5.568 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -7.117 -0.137 5.323 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.957 -3.391 6.993 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.528 -1.698 7.263 1.00 15.00 H new ATOM 174 N THR A 308 -7.382 -1.910 2.101 1.00 15.00 N ATOM 175 CA THR A 308 -8.575 -2.280 1.353 1.00 15.00 C ATOM 176 C THR A 308 -9.550 -3.018 2.261 1.00 15.00 C ATOM 177 O THR A 308 -9.130 -3.709 3.196 1.00 15.00 O ATOM 178 CB THR A 308 -8.243 -3.177 0.142 1.00 15.00 C ATOM 179 OG1 THR A 308 -7.268 -4.162 0.509 1.00 15.00 O ATOM 180 CG2 THR A 308 -7.738 -2.363 -1.040 1.00 15.00 C ATOM 0 H THR A 308 -6.641 -2.610 2.082 1.00 15.00 H new ATOM 0 HA THR A 308 -9.023 -1.358 0.983 1.00 15.00 H new ATOM 0 HB THR A 308 -9.164 -3.673 -0.163 1.00 15.00 H new ATOM 0 HG1 THR A 308 -7.622 -4.718 1.234 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.515 -3.030 -1.873 1.00 15.00 H new ATOM 0 HG22 THR A 308 -8.503 -1.648 -1.343 1.00 15.00 H new ATOM 0 HG23 THR A 308 -6.834 -1.827 -0.753 1.00 15.00 H new ATOM 188 N ALA A 309 -10.843 -2.882 1.967 1.00 15.00 N ATOM 189 CA ALA A 309 -11.908 -3.422 2.814 1.00 15.00 C ATOM 190 C ALA A 309 -11.848 -4.945 2.931 1.00 15.00 C ATOM 191 O ALA A 309 -12.497 -5.531 3.797 1.00 15.00 O ATOM 192 CB ALA A 309 -13.268 -2.988 2.284 1.00 15.00 C ATOM 0 H ALA A 309 -11.182 -2.396 1.137 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.759 -3.019 3.816 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -14.053 -3.395 2.921 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.328 -1.900 2.284 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.397 -3.358 1.267 1.00 15.00 H new ATOM 198 N THR A 310 -11.084 -5.587 2.054 1.00 15.00 N ATOM 199 CA THR A 310 -10.884 -7.027 2.136 1.00 15.00 C ATOM 200 C THR A 310 -9.901 -7.374 3.264 1.00 15.00 C ATOM 201 O THR A 310 -9.814 -8.522 3.701 1.00 15.00 O ATOM 202 CB THR A 310 -10.362 -7.584 0.793 1.00 15.00 C ATOM 203 OG1 THR A 310 -11.191 -7.117 -0.279 1.00 15.00 O ATOM 204 CG2 THR A 310 -10.355 -9.107 0.795 1.00 15.00 C ATOM 0 H THR A 310 -10.595 -5.134 1.282 1.00 15.00 H new ATOM 0 HA THR A 310 -11.847 -7.488 2.355 1.00 15.00 H new ATOM 0 HB THR A 310 -9.340 -7.232 0.655 1.00 15.00 H new ATOM 0 HG1 THR A 310 -10.856 -7.471 -1.129 1.00 15.00 H new ATOM 0 HG21 THR A 310 -9.983 -9.470 -0.163 1.00 15.00 H new ATOM 0 HG22 THR A 310 -9.709 -9.467 1.596 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.369 -9.475 0.954 1.00 15.00 H new ATOM 212 N GLY A 311 -9.179 -6.367 3.746 1.00 15.00 N ATOM 213 CA GLY A 311 -8.212 -6.584 4.804 1.00 15.00 C ATOM 214 C GLY A 311 -6.803 -6.727 4.270 1.00 15.00 C ATOM 215 O GLY A 311 -6.080 -7.651 4.643 1.00 15.00 O ATOM 0 H GLY A 311 -9.248 -5.403 3.421 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.250 -5.750 5.505 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.481 -7.482 5.361 1.00 15.00 H new ATOM 219 N ARG A 312 -6.409 -5.814 3.392 1.00 15.00 N ATOM 220 CA ARG A 312 -5.083 -5.870 2.778 1.00 15.00 C ATOM 221 C ARG A 312 -4.470 -4.471 2.738 1.00 15.00 C ATOM 222 O ARG A 312 -5.116 -3.532 2.277 1.00 15.00 O ATOM 223 CB ARG A 312 -5.171 -6.401 1.349 1.00 15.00 C ATOM 224 CG ARG A 312 -6.111 -7.569 1.131 1.00 15.00 C ATOM 225 CD ARG A 312 -6.379 -7.745 -0.354 1.00 15.00 C ATOM 226 NE ARG A 312 -7.284 -6.719 -0.875 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.671 -6.633 -2.151 1.00 15.00 C ATOM 228 NH1 ARG A 312 -7.251 -7.517 -3.047 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -8.496 -5.668 -2.528 1.00 15.00 N ATOM 0 H ARG A 312 -6.984 -5.028 3.088 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.462 -6.538 3.375 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.481 -5.584 0.697 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.172 -6.700 1.032 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.675 -8.480 1.541 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.048 -7.397 1.661 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.436 -7.707 -0.899 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.809 -8.731 -0.530 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.643 -6.024 -0.221 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -6.626 -8.272 -2.764 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -7.553 -7.441 -4.018 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.835 -4.991 -1.845 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.792 -5.602 -3.502 1.00 15.00 H new ATOM 243 N VAL A 313 -3.219 -4.331 3.158 1.00 15.00 N ATOM 244 CA VAL A 313 -2.624 -3.005 3.291 1.00 15.00 C ATOM 245 C VAL A 313 -1.607 -2.707 2.177 1.00 15.00 C ATOM 246 O VAL A 313 -0.449 -3.099 2.251 1.00 15.00 O ATOM 247 CB VAL A 313 -1.946 -2.823 4.663 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.758 -1.346 4.968 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.753 -3.496 5.763 1.00 15.00 C ATOM 0 H VAL A 313 -2.604 -5.105 3.409 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.448 -2.297 3.202 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.966 -3.299 4.624 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.278 -1.233 5.940 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.132 -0.893 4.200 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.729 -0.851 4.983 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.253 -3.353 6.721 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.749 -3.056 5.804 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.836 -4.562 5.553 1.00 15.00 H new ATOM 259 N TYR A 314 -2.074 -2.013 1.148 1.00 15.00 N ATOM 260 CA TYR A 314 -1.254 -1.535 0.061 1.00 15.00 C ATOM 261 C TYR A 314 -0.711 -0.141 0.378 1.00 15.00 C ATOM 262 O TYR A 314 -1.458 0.831 0.510 1.00 15.00 O ATOM 263 CB TYR A 314 -2.082 -1.496 -1.246 1.00 15.00 C ATOM 264 CG TYR A 314 -3.307 -0.591 -1.181 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.367 -0.887 -0.332 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.395 0.570 -1.951 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.467 -0.062 -0.245 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.499 1.401 -1.867 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.529 1.079 -1.009 1.00 15.00 C ATOM 270 OH TYR A 314 -6.630 1.896 -0.913 1.00 15.00 O ATOM 0 H TYR A 314 -3.059 -1.765 1.051 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.413 -2.216 -0.069 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.439 -1.161 -2.060 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.404 -2.508 -1.489 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.328 -1.782 0.272 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.589 0.824 -2.623 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.279 -0.311 0.422 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.553 2.296 -2.470 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.350 2.832 -0.984 1.00 15.00 H new ATOM 280 N PHE A 315 0.586 -0.061 0.550 1.00 15.00 N ATOM 281 CA PHE A 315 1.257 1.210 0.686 1.00 15.00 C ATOM 282 C PHE A 315 1.762 1.611 -0.682 1.00 15.00 C ATOM 283 O PHE A 315 2.545 0.892 -1.275 1.00 15.00 O ATOM 284 CB PHE A 315 2.459 1.121 1.627 1.00 15.00 C ATOM 285 CG PHE A 315 2.194 0.569 2.998 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.714 -0.716 3.164 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.473 1.326 4.124 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.507 -1.232 4.423 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.275 0.809 5.388 1.00 15.00 C ATOM 290 CZ PHE A 315 1.791 -0.474 5.535 1.00 15.00 C ATOM 0 H PHE A 315 1.204 -0.871 0.600 1.00 15.00 H new ATOM 0 HA PHE A 315 0.553 1.933 1.098 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.220 0.503 1.151 1.00 15.00 H new ATOM 0 HB3 PHE A 315 2.882 2.120 1.737 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.499 -1.322 2.296 1.00 15.00 H new ATOM 0 HD2 PHE A 315 2.850 2.332 4.011 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.121 -2.234 4.538 1.00 15.00 H new ATOM 0 HE2 PHE A 315 2.498 1.407 6.259 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.635 -0.883 6.522 1.00 15.00 H new ATOM 300 N VAL A 316 1.326 2.728 -1.202 1.00 15.00 N ATOM 301 CA VAL A 316 1.833 3.147 -2.482 1.00 15.00 C ATOM 302 C VAL A 316 3.067 4.009 -2.275 1.00 15.00 C ATOM 303 O VAL A 316 3.041 4.951 -1.484 1.00 15.00 O ATOM 304 CB VAL A 316 0.794 3.919 -3.327 1.00 15.00 C ATOM 305 CG1 VAL A 316 1.343 4.152 -4.718 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.531 3.175 -3.389 1.00 15.00 C ATOM 0 H VAL A 316 0.640 3.349 -0.774 1.00 15.00 H new ATOM 0 HA VAL A 316 2.080 2.244 -3.040 1.00 15.00 H new ATOM 0 HB VAL A 316 0.605 4.881 -2.851 1.00 15.00 H new ATOM 0 HG11 VAL A 316 0.609 4.696 -5.312 1.00 15.00 H new ATOM 0 HG12 VAL A 316 2.262 4.735 -4.654 1.00 15.00 H new ATOM 0 HG13 VAL A 316 1.554 3.193 -5.191 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.240 3.744 -3.990 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.377 2.195 -3.840 1.00 15.00 H new ATOM 0 HG23 VAL A 316 -0.927 3.052 -2.381 1.00 15.00 H new ATOM 316 N ASP A 317 4.152 3.699 -2.967 1.00 15.00 N ATOM 317 CA ASP A 317 5.343 4.504 -2.838 1.00 15.00 C ATOM 318 C ASP A 317 5.232 5.588 -3.884 1.00 15.00 C ATOM 319 O ASP A 317 5.138 5.280 -5.072 1.00 15.00 O ATOM 320 CB ASP A 317 6.633 3.708 -3.104 1.00 15.00 C ATOM 321 CG ASP A 317 6.561 2.238 -2.756 1.00 15.00 C ATOM 322 OD1 ASP A 317 6.216 1.914 -1.617 1.00 15.00 O1- ATOM 323 OD2 ASP A 317 6.888 1.406 -3.636 1.00 15.00 O ATOM 0 H ASP A 317 4.228 2.911 -3.610 1.00 15.00 H new ATOM 0 HA ASP A 317 5.408 4.885 -1.819 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.890 3.804 -4.159 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.445 4.161 -2.536 1.00 15.00 H new ATOM 328 N HIS A 318 5.199 6.845 -3.458 1.00 15.00 N ATOM 329 CA HIS A 318 5.066 7.954 -4.402 1.00 15.00 C ATOM 330 C HIS A 318 6.365 8.182 -5.159 1.00 15.00 C ATOM 331 O HIS A 318 6.384 8.863 -6.180 1.00 15.00 O ATOM 332 CB HIS A 318 4.631 9.247 -3.704 1.00 15.00 C ATOM 333 CG HIS A 318 3.166 9.314 -3.378 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.224 8.452 -3.902 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.481 10.153 -2.565 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.035 8.758 -3.421 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.158 9.787 -2.606 1.00 15.00 N ATOM 0 H HIS A 318 5.261 7.123 -2.478 1.00 15.00 H new ATOM 0 HA HIS A 318 4.287 7.677 -5.112 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.201 9.357 -2.782 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.888 10.093 -4.341 1.00 15.00 H new ATOM 0 HD2 HIS A 318 2.900 10.964 -1.988 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.112 8.249 -3.656 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.399 10.235 -2.093 1.00 15.00 H new ATOM 346 N ASN A 319 7.452 7.620 -4.647 1.00 15.00 N ATOM 347 CA ASN A 319 8.739 7.700 -5.328 1.00 15.00 C ATOM 348 C ASN A 319 8.864 6.576 -6.351 1.00 15.00 C ATOM 349 O ASN A 319 9.520 6.723 -7.379 1.00 15.00 O ATOM 350 CB ASN A 319 9.899 7.614 -4.331 1.00 15.00 C ATOM 351 CG ASN A 319 9.810 8.642 -3.218 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.275 9.735 -3.399 1.00 15.00 O ATOM 353 ND2 ASN A 319 10.332 8.287 -2.054 1.00 15.00 N ATOM 0 H ASN A 319 7.469 7.106 -3.766 1.00 15.00 H new ATOM 0 HA ASN A 319 8.788 8.663 -5.836 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.920 6.616 -3.894 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.839 7.748 -4.866 1.00 15.00 H new ATOM 0 HD21 ASN A 319 10.300 8.930 -1.263 1.00 15.00 H new ATOM 0 HD22 ASN A 319 10.766 7.370 -1.948 1.00 15.00 H new ATOM 360 N ASN A 320 8.250 5.442 -6.039 1.00 15.00 N ATOM 361 CA ASN A 320 8.284 4.268 -6.910 1.00 15.00 C ATOM 362 C ASN A 320 7.055 4.237 -7.823 1.00 15.00 C ATOM 363 O ASN A 320 7.021 3.517 -8.822 1.00 15.00 O ATOM 364 CB ASN A 320 8.351 3.005 -6.041 1.00 15.00 C ATOM 365 CG ASN A 320 8.348 1.704 -6.824 1.00 15.00 C ATOM 366 OD1 ASN A 320 8.859 1.622 -7.942 1.00 15.00 O ATOM 367 ND2 ASN A 320 7.765 0.672 -6.232 1.00 15.00 N ATOM 0 H ASN A 320 7.716 5.307 -5.180 1.00 15.00 H new ATOM 0 HA ASN A 320 9.166 4.314 -7.548 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.254 3.046 -5.431 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.503 3.005 -5.356 1.00 15.00 H new ATOM 0 HD21 ASN A 320 7.728 -0.232 -6.703 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.353 0.781 -5.305 1.00 15.00 H new ATOM 374 N ARG A 321 6.038 5.016 -7.452 1.00 15.00 N ATOM 375 CA ARG A 321 4.791 5.120 -8.207 1.00 15.00 C ATOM 376 C ARG A 321 4.112 3.761 -8.335 1.00 15.00 C ATOM 377 O ARG A 321 3.392 3.495 -9.298 1.00 15.00 O ATOM 378 CB ARG A 321 5.062 5.753 -9.572 1.00 15.00 C ATOM 379 CG ARG A 321 5.478 7.208 -9.452 1.00 15.00 C ATOM 380 CD ARG A 321 5.807 7.828 -10.796 1.00 15.00 C ATOM 381 NE ARG A 321 6.099 9.253 -10.662 1.00 15.00 N ATOM 382 CZ ARG A 321 6.985 9.911 -11.402 1.00 15.00 C ATOM 383 NH1 ARG A 321 7.716 9.266 -12.302 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 7.160 11.214 -11.223 1.00 15.00 N ATOM 0 H ARG A 321 6.058 5.596 -6.613 1.00 15.00 H new ATOM 0 HA ARG A 321 4.101 5.767 -7.665 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.846 5.193 -10.082 1.00 15.00 H new ATOM 0 HB3 ARG A 321 4.166 5.682 -10.189 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.675 7.775 -8.980 1.00 15.00 H new ATOM 0 HG3 ARG A 321 6.347 7.282 -8.798 1.00 15.00 H new ATOM 0 HD2 ARG A 321 6.665 7.318 -11.235 1.00 15.00 H new ATOM 0 HD3 ARG A 321 4.969 7.688 -11.479 1.00 15.00 H new ATOM 0 HE ARG A 321 5.588 9.778 -9.952 1.00 15.00 H new ATOM 0 HH11 ARG A 321 7.599 8.261 -12.428 1.00 15.00 H new ATOM 0 HH12 ARG A 321 8.395 9.776 -12.868 1.00 15.00 H new ATOM 0 HH21 ARG A 321 6.615 11.710 -10.518 1.00 15.00 H new ATOM 0 HH22 ARG A 321 7.840 11.720 -11.791 1.00 15.00 H new ATOM 398 N THR A 322 4.303 2.928 -7.322 1.00 15.00 N ATOM 399 CA THR A 322 3.753 1.577 -7.327 1.00 15.00 C ATOM 400 C THR A 322 3.005 1.287 -6.025 1.00 15.00 C ATOM 401 O THR A 322 3.424 1.741 -4.960 1.00 15.00 O ATOM 402 CB THR A 322 4.868 0.534 -7.539 1.00 15.00 C ATOM 403 OG1 THR A 322 5.641 0.881 -8.700 1.00 15.00 O ATOM 404 CG2 THR A 322 4.296 -0.866 -7.713 1.00 15.00 C ATOM 0 H THR A 322 4.835 3.163 -6.484 1.00 15.00 H new ATOM 0 HA THR A 322 3.047 1.508 -8.155 1.00 15.00 H new ATOM 0 HB THR A 322 5.502 0.536 -6.653 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.115 1.723 -8.538 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.110 -1.576 -7.860 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.731 -1.141 -6.823 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.637 -0.884 -8.581 1.00 15.00 H new ATOM 412 N THR A 323 1.899 0.548 -6.110 1.00 15.00 N ATOM 413 CA THR A 323 1.135 0.176 -4.925 1.00 15.00 C ATOM 414 C THR A 323 1.681 -1.124 -4.325 1.00 15.00 C ATOM 415 O THR A 323 2.009 -2.062 -5.055 1.00 15.00 O ATOM 416 CB THR A 323 -0.372 0.040 -5.233 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.100 -0.243 -4.033 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.642 -1.051 -6.252 1.00 15.00 C ATOM 0 H THR A 323 1.515 0.197 -6.987 1.00 15.00 H new ATOM 0 HA THR A 323 1.248 0.978 -4.195 1.00 15.00 H new ATOM 0 HB THR A 323 -0.704 0.990 -5.652 1.00 15.00 H new ATOM 0 HG1 THR A 323 -2.054 -0.325 -4.241 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.714 -1.115 -6.441 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.123 -0.817 -7.181 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.284 -2.006 -5.866 1.00 15.00 H new ATOM 426 N GLN A 324 1.789 -1.178 -2.999 1.00 15.00 N ATOM 427 CA GLN A 324 2.460 -2.291 -2.343 1.00 15.00 C ATOM 428 C GLN A 324 1.565 -3.037 -1.358 1.00 15.00 C ATOM 429 O GLN A 324 1.399 -2.609 -0.225 1.00 15.00 O ATOM 430 CB GLN A 324 3.693 -1.795 -1.574 1.00 15.00 C ATOM 431 CG GLN A 324 4.677 -0.995 -2.407 1.00 15.00 C ATOM 432 CD GLN A 324 5.500 -1.852 -3.346 1.00 15.00 C ATOM 433 OE1 GLN A 324 5.080 -2.929 -3.776 1.00 15.00 O ATOM 434 NE2 GLN A 324 6.676 -1.362 -3.682 1.00 15.00 N ATOM 0 H GLN A 324 1.423 -0.468 -2.364 1.00 15.00 H new ATOM 0 HA GLN A 324 2.741 -2.978 -3.141 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.360 -1.180 -0.738 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.211 -2.655 -1.150 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.131 -0.252 -2.988 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.347 -0.450 -1.742 1.00 15.00 H new ATOM 0 HE21 GLN A 324 6.983 -0.467 -3.302 1.00 15.00 H new ATOM 0 HE22 GLN A 324 7.279 -1.878 -4.322 1.00 15.00 H new ATOM 443 N PHE A 325 0.993 -4.155 -1.787 1.00 15.00 N ATOM 444 CA PHE A 325 0.526 -5.170 -0.836 1.00 15.00 C ATOM 445 C PHE A 325 1.740 -5.810 -0.223 1.00 15.00 C ATOM 446 O PHE A 325 1.677 -6.627 0.690 1.00 15.00 O ATOM 447 CB PHE A 325 -0.373 -6.215 -1.472 1.00 15.00 C ATOM 448 CG PHE A 325 -1.788 -5.761 -1.502 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.319 -5.075 -0.421 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.581 -5.996 -2.605 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.625 -4.630 -0.463 1.00 15.00 C ATOM 452 CE2 PHE A 325 -3.888 -5.559 -2.640 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.408 -4.872 -1.571 1.00 15.00 C ATOM 0 H PHE A 325 0.840 -4.385 -2.769 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.088 -4.684 -0.078 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.033 -6.422 -2.487 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.300 -7.149 -0.915 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.712 -4.889 0.453 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.174 -6.529 -3.452 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.035 -4.089 0.377 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.502 -5.757 -3.506 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.429 -4.522 -1.598 1.00 15.00 H new ATOM 463 N THR A 326 2.843 -5.449 -0.822 1.00 15.00 N ATOM 464 CA THR A 326 4.148 -5.822 -0.330 1.00 15.00 C ATOM 465 C THR A 326 4.455 -4.858 0.800 1.00 15.00 C ATOM 466 O THR A 326 5.023 -3.788 0.585 1.00 15.00 O ATOM 467 CB THR A 326 5.227 -5.694 -1.428 1.00 15.00 C ATOM 468 OG1 THR A 326 4.732 -6.206 -2.675 1.00 15.00 O ATOM 469 CG2 THR A 326 6.490 -6.450 -1.038 1.00 15.00 C ATOM 0 H THR A 326 2.865 -4.884 -1.671 1.00 15.00 H new ATOM 0 HA THR A 326 4.151 -6.862 -0.004 1.00 15.00 H new ATOM 0 HB THR A 326 5.468 -4.637 -1.539 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.424 -6.118 -3.363 1.00 15.00 H new ATOM 0 HG21 THR A 326 7.235 -6.345 -1.827 1.00 15.00 H new ATOM 0 HG22 THR A 326 6.886 -6.042 -0.108 1.00 15.00 H new ATOM 0 HG23 THR A 326 6.254 -7.505 -0.900 1.00 15.00 H new ATOM 477 N ASP A 327 4.063 -5.229 1.998 1.00 15.00 N ATOM 478 CA ASP A 327 3.927 -4.268 3.064 1.00 15.00 C ATOM 479 C ASP A 327 4.867 -4.468 4.198 1.00 15.00 C ATOM 480 O ASP A 327 5.308 -5.575 4.517 1.00 15.00 O ATOM 481 CB ASP A 327 2.518 -4.200 3.617 1.00 15.00 C ATOM 482 CG ASP A 327 1.844 -5.551 3.789 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.510 -6.490 4.275 1.00 15.00 O1- ATOM 484 OD2 ASP A 327 0.638 -5.667 3.486 1.00 15.00 O ATOM 0 H ASP A 327 3.833 -6.189 2.256 1.00 15.00 H new ATOM 0 HA ASP A 327 4.180 -3.325 2.580 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.544 -3.695 4.583 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.910 -3.586 2.953 1.00 15.00 H new ATOM 489 N PRO A 328 5.177 -3.344 4.823 1.00 15.00 N ATOM 490 CA PRO A 328 5.870 -3.304 6.086 1.00 15.00 C ATOM 491 C PRO A 328 4.954 -3.905 7.155 1.00 15.00 C ATOM 492 O PRO A 328 5.370 -4.207 8.269 1.00 15.00 O ATOM 493 CB PRO A 328 6.144 -1.802 6.298 1.00 15.00 C ATOM 494 CG PRO A 328 5.860 -1.169 4.966 1.00 15.00 C ATOM 495 CD PRO A 328 4.792 -1.998 4.373 1.00 15.00 C ATOM 0 HA PRO A 328 6.798 -3.874 6.128 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.503 -1.389 7.077 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.175 -1.628 6.607 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.539 -0.134 5.081 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.749 -1.159 4.335 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.804 -1.713 4.734 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.769 -1.920 3.286 1.00 15.00 H new ATOM 503 N ARG A 329 3.672 -4.038 6.783 1.00 15.00 N ATOM 504 CA ARG A 329 2.663 -4.707 7.601 1.00 15.00 C ATOM 505 C ARG A 329 3.025 -6.172 7.865 1.00 15.00 C ATOM 506 O ARG A 329 2.650 -6.733 8.895 1.00 15.00 O ATOM 507 CB ARG A 329 1.268 -4.625 6.935 1.00 15.00 C ATOM 508 CG ARG A 329 0.536 -3.328 7.221 1.00 15.00 C ATOM 509 CD ARG A 329 0.246 -3.185 8.704 1.00 15.00 C ATOM 510 NE ARG A 329 -0.638 -2.056 8.994 1.00 15.00 N ATOM 511 CZ ARG A 329 -1.137 -1.802 10.203 1.00 15.00 C ATOM 512 NH1 ARG A 329 -0.829 -2.593 11.225 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -1.952 -0.769 10.386 1.00 15.00 N ATOM 0 H ARG A 329 3.309 -3.680 5.899 1.00 15.00 H new ATOM 0 HA ARG A 329 2.633 -4.186 8.558 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.382 -4.739 5.857 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.659 -5.460 7.281 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.136 -2.484 6.881 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.398 -3.301 6.660 1.00 15.00 H new ATOM 0 HD2 ARG A 329 -0.210 -4.104 9.072 1.00 15.00 H new ATOM 0 HD3 ARG A 329 1.184 -3.056 9.244 1.00 15.00 H new ATOM 0 HE ARG A 329 -0.886 -1.429 8.229 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -0.212 -3.393 11.083 1.00 15.00 H new ATOM 0 HH12 ARG A 329 -1.210 -2.401 12.152 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -2.198 -0.168 9.600 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -2.332 -0.577 11.313 1.00 15.00 H new ATOM 645 N PRO B 207 -3.935 -8.942 -6.484 1.00 15.00 N ATOM 646 CA PRO B 207 -3.523 -7.765 -7.251 1.00 15.00 C ATOM 647 C PRO B 207 -4.008 -6.462 -6.617 1.00 15.00 C ATOM 648 O PRO B 207 -5.207 -6.285 -6.393 1.00 15.00 O ATOM 649 CB PRO B 207 -4.216 -7.975 -8.602 1.00 15.00 C ATOM 650 CG PRO B 207 -4.456 -9.447 -8.712 1.00 15.00 C ATOM 651 CD PRO B 207 -4.498 -9.999 -7.311 1.00 15.00 C ATOM 0 HA PRO B 207 -2.438 -7.674 -7.310 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.154 -7.421 -8.651 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -3.592 -7.618 -9.421 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -5.393 -9.646 -9.232 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -3.664 -9.924 -9.289 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.518 -10.238 -7.009 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -3.918 -10.918 -7.229 1.00 15.00 H new ATOM 659 N PRO B 208 -3.084 -5.537 -6.304 1.00 15.00 N ATOM 660 CA PRO B 208 -3.415 -4.320 -5.577 1.00 15.00 C ATOM 661 C PRO B 208 -4.076 -3.247 -6.441 1.00 15.00 C ATOM 662 O PRO B 208 -3.944 -3.239 -7.667 1.00 15.00 O ATOM 663 CB PRO B 208 -2.064 -3.823 -5.040 1.00 15.00 C ATOM 664 CG PRO B 208 -1.021 -4.773 -5.541 1.00 15.00 C ATOM 665 CD PRO B 208 -1.652 -5.596 -6.626 1.00 15.00 C ATOM 0 HA PRO B 208 -4.149 -4.527 -4.798 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -1.861 -2.809 -5.385 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.069 -3.794 -3.950 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.158 -4.229 -5.924 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.663 -5.411 -4.733 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.445 -5.186 -7.614 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.280 -6.621 -6.622 1.00 15.00 H new ATOM 673 N PRO B 209 -4.784 -2.321 -5.770 1.00 15.00 N ATOM 674 CA PRO B 209 -5.449 -1.175 -6.401 1.00 15.00 C ATOM 675 C PRO B 209 -4.542 -0.406 -7.365 1.00 15.00 C ATOM 676 O PRO B 209 -3.381 -0.152 -7.056 1.00 15.00 O ATOM 677 CB PRO B 209 -5.774 -0.254 -5.218 1.00 15.00 C ATOM 678 CG PRO B 209 -5.680 -1.075 -3.980 1.00 15.00 C ATOM 679 CD PRO B 209 -5.031 -2.381 -4.324 1.00 15.00 C ATOM 0 HA PRO B 209 -6.306 -1.506 -6.988 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -5.076 0.582 -5.179 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.773 0.169 -5.324 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.098 -0.551 -3.221 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.672 -1.244 -3.561 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.101 -2.516 -3.771 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.678 -3.221 -4.070 1.00 15.00 H new ATOM 687 N PRO B 210 -5.074 -0.016 -8.536 1.00 15.00 N ATOM 688 CA PRO B 210 -4.346 0.830 -9.494 1.00 15.00 C ATOM 689 C PRO B 210 -3.879 2.123 -8.834 1.00 15.00 C ATOM 690 O PRO B 210 -4.630 2.732 -8.069 1.00 15.00 O ATOM 691 CB PRO B 210 -5.389 1.127 -10.576 1.00 15.00 C ATOM 692 CG PRO B 210 -6.379 0.019 -10.466 1.00 15.00 C ATOM 693 CD PRO B 210 -6.422 -0.357 -9.014 1.00 15.00 C ATOM 0 HA PRO B 210 -3.449 0.349 -9.884 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.861 2.096 -10.415 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -4.935 1.154 -11.566 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.361 0.338 -10.815 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.082 -0.831 -11.080 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.191 0.198 -8.477 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.641 -1.416 -8.879 1.00 15.00 H new ATOM 701 N TYR B 211 -2.654 2.544 -9.129 1.00 15.00 N ATOM 702 CA TYR B 211 -2.065 3.679 -8.434 1.00 15.00 C ATOM 703 C TYR B 211 -2.768 4.996 -8.758 1.00 15.00 C ATOM 704 O TYR B 211 -2.487 5.665 -9.753 1.00 15.00 O ATOM 705 CB TYR B 211 -0.555 3.797 -8.694 1.00 15.00 C ATOM 706 CG TYR B 211 0.082 5.036 -8.073 1.00 15.00 C ATOM 707 CD1 TYR B 211 -0.423 5.614 -6.906 1.00 15.00 C ATOM 708 CD2 TYR B 211 1.180 5.643 -8.668 1.00 15.00 C ATOM 709 CE1 TYR B 211 0.146 6.751 -6.368 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.752 6.775 -8.118 1.00 15.00 C ATOM 711 CZ TYR B 211 1.234 7.320 -6.984 1.00 15.00 C ATOM 712 OH TYR B 211 1.803 8.455 -6.474 1.00 15.00 O ATOM 0 H TYR B 211 -2.056 2.120 -9.838 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.211 3.482 -7.372 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.058 2.909 -8.302 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.381 3.811 -9.770 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -1.273 5.164 -6.416 1.00 15.00 H new ATOM 0 HD2 TYR B 211 1.593 5.225 -9.574 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.261 7.190 -5.469 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.612 7.228 -8.589 1.00 15.00 H new ATOM 0 HH TYR B 211 2.165 8.267 -5.583 1.00 15.00 H new ATOM 722 N SER B 212 -3.746 5.290 -7.934 1.00 15.00 N ATOM 723 CA SER B 212 -4.228 6.634 -7.720 1.00 15.00 C ATOM 724 C SER B 212 -3.563 7.082 -6.430 1.00 15.00 C ATOM 725 O SER B 212 -3.271 6.227 -5.594 1.00 15.00 O ATOM 726 CB SER B 212 -5.755 6.645 -7.601 1.00 15.00 C ATOM 727 OG SER B 212 -6.254 7.968 -7.514 1.00 15.00 O ATOM 0 H SER B 212 -4.239 4.587 -7.383 1.00 15.00 H new ATOM 0 HA SER B 212 -3.989 7.302 -8.547 1.00 15.00 H new ATOM 0 HB2 SER B 212 -6.193 6.145 -8.465 1.00 15.00 H new ATOM 0 HB3 SER B 212 -6.057 6.081 -6.719 1.00 15.00 H new ATOM 0 HG SER B 212 -7.231 7.945 -7.441 1.00 15.00 H new ATOM 733 N ARG B 213 -3.300 8.370 -6.247 1.00 15.00 N ATOM 734 CA ARG B 213 -2.463 8.789 -5.124 1.00 15.00 C ATOM 735 C ARG B 213 -3.104 8.342 -3.820 1.00 15.00 C ATOM 736 O ARG B 213 -2.457 7.716 -2.981 1.00 15.00 O ATOM 737 CB ARG B 213 -2.273 10.311 -5.071 1.00 15.00 C ATOM 738 CG ARG B 213 -2.026 10.980 -6.405 1.00 15.00 C ATOM 739 CD ARG B 213 -0.857 10.352 -7.144 1.00 15.00 C ATOM 740 NE ARG B 213 -0.705 10.888 -8.495 1.00 15.00 N ATOM 741 CZ ARG B 213 0.424 11.420 -8.958 1.00 15.00 C ATOM 742 NH1 ARG B 213 1.461 11.583 -8.145 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 0.511 11.813 -10.222 1.00 15.00 N ATOM 0 H ARG B 213 -3.642 9.125 -6.841 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.485 8.327 -5.263 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -3.160 10.755 -4.619 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.434 10.533 -4.411 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -2.924 10.909 -7.019 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -1.829 12.041 -6.249 1.00 15.00 H new ATOM 0 HD2 ARG B 213 0.061 10.524 -6.582 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -1.001 9.273 -7.197 1.00 15.00 H new ATOM 0 HE ARG B 213 -1.511 10.852 -9.119 1.00 15.00 H new ATOM 0 HH11 ARG B 213 1.392 11.301 -7.167 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.327 11.990 -8.498 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -0.290 11.708 -10.845 1.00 15.00 H new ATOM 0 HH22 ARG B 213 1.379 12.220 -10.571 1.00 15.00 H new ATOM 757 N TYR B 214 -4.364 8.693 -3.648 1.00 15.00 N ATOM 758 CA TYR B 214 -5.129 8.254 -2.496 1.00 15.00 C ATOM 759 C TYR B 214 -6.342 7.459 -2.958 1.00 15.00 C ATOM 760 O TYR B 214 -7.432 8.009 -3.123 1.00 15.00 O ATOM 761 CB TYR B 214 -5.534 9.464 -1.641 1.00 15.00 C ATOM 762 CG TYR B 214 -4.402 10.455 -1.464 1.00 15.00 C ATOM 763 CD1 TYR B 214 -4.022 11.290 -2.511 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.686 10.528 -0.279 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.970 12.165 -2.387 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.630 11.412 -0.140 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.273 12.226 -1.200 1.00 15.00 C ATOM 768 OH TYR B 214 -1.217 13.101 -1.070 1.00 15.00 O ATOM 0 H TYR B 214 -4.883 9.285 -4.296 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.516 7.601 -1.874 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.382 9.966 -2.106 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.866 9.118 -0.662 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.567 11.249 -3.443 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.956 9.886 0.547 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.691 12.801 -3.214 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.087 11.466 0.792 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.834 13.020 -0.171 1.00 15.00 H new ATOM 778 N PRO B 215 -6.147 6.170 -3.248 1.00 15.00 N ATOM 779 CA PRO B 215 -7.212 5.309 -3.757 1.00 15.00 C ATOM 780 C PRO B 215 -8.164 4.841 -2.663 1.00 15.00 C ATOM 781 O PRO B 215 -7.737 4.319 -1.634 1.00 15.00 O ATOM 782 CB PRO B 215 -6.448 4.126 -4.351 1.00 15.00 C ATOM 783 CG PRO B 215 -5.170 4.058 -3.583 1.00 15.00 C ATOM 784 CD PRO B 215 -4.861 5.453 -3.121 1.00 15.00 C ATOM 0 HA PRO B 215 -7.850 5.828 -4.472 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -7.016 3.201 -4.252 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.261 4.273 -5.415 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.266 3.383 -2.733 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.365 3.671 -4.208 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.500 5.461 -2.092 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.086 5.913 -3.734 1.00 15.00 H new