USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=10 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= -0.0555 K(o=1.2,f=0.63) USER MOD Set 1.2: A 322 THR OG1 : rot 53:sc= 1.25 USER MOD Set 2.1: A 318 HIS : +bothHN:sc= -2.35! C(o=-4.4!,f=-15!) USER MOD Set 2.2: B 211 TYR OH : rot 180:sc= -2.09! USER MOD Single : A 307 ASN : amide:sc= -0.121 K(o=-0.12,f=-4.7!) USER MOD Single : A 308 THR OG1 : rot 64:sc= 0.353 USER MOD Single : A 310 THR OG1 : rot -150:sc= 0.056 USER MOD Single : A 314 TYR OH : rot 30:sc= -0.11 USER MOD Single : A 319 ASN : amide:sc= -0.0641 K(o=-0.064,f=-1.9!) USER MOD Single : A 323 THR OG1 : rot 171:sc= -0.449 USER MOD Single : A 324 GLN : amide:sc= 0 X(o=0,f=0.025) 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 5.363 4.023 10.040 1.00 15.00 N ATOM 25 CA LEU A 299 5.203 4.258 8.616 1.00 15.00 C ATOM 26 C LEU A 299 6.399 5.036 8.077 1.00 15.00 C ATOM 27 O LEU A 299 6.744 6.093 8.608 1.00 15.00 O ATOM 28 CB LEU A 299 3.916 5.042 8.346 1.00 15.00 C ATOM 29 CG LEU A 299 3.660 5.377 6.879 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.313 4.120 6.098 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.552 6.408 6.755 1.00 15.00 C ATOM 0 HA LEU A 299 5.143 3.294 8.111 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.071 4.466 8.724 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.948 5.971 8.915 1.00 15.00 H new ATOM 0 HG LEU A 299 4.571 5.801 6.457 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.134 4.378 5.054 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.140 3.413 6.160 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.416 3.666 6.519 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.383 6.635 5.702 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.636 6.012 7.193 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.841 7.318 7.281 1.00 15.00 H new ATOM 43 N PRO A 300 7.056 4.527 7.028 1.00 15.00 N ATOM 44 CA PRO A 300 8.173 5.228 6.385 1.00 15.00 C ATOM 45 C PRO A 300 7.703 6.517 5.686 1.00 15.00 C ATOM 46 O PRO A 300 6.659 6.529 5.039 1.00 15.00 O ATOM 47 CB PRO A 300 8.693 4.198 5.373 1.00 15.00 C ATOM 48 CG PRO A 300 8.115 2.893 5.807 1.00 15.00 C ATOM 49 CD PRO A 300 6.779 3.235 6.378 1.00 15.00 C ATOM 0 HA PRO A 300 8.935 5.555 7.092 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.380 4.449 4.360 1.00 15.00 H new ATOM 0 HB3 PRO A 300 9.782 4.164 5.371 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.021 2.204 4.968 1.00 15.00 H new ATOM 0 HG3 PRO A 300 8.749 2.407 6.549 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.014 3.320 5.607 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.433 2.485 7.089 1.00 15.00 H new ATOM 57 N PRO A 301 8.493 7.607 5.786 1.00 15.00 N ATOM 58 CA PRO A 301 8.071 8.967 5.378 1.00 15.00 C ATOM 59 C PRO A 301 7.685 9.114 3.897 1.00 15.00 C ATOM 60 O PRO A 301 6.816 9.916 3.556 1.00 15.00 O ATOM 61 CB PRO A 301 9.301 9.831 5.683 1.00 15.00 C ATOM 62 CG PRO A 301 10.090 9.045 6.670 1.00 15.00 C ATOM 63 CD PRO A 301 9.865 7.604 6.318 1.00 15.00 C ATOM 0 HA PRO A 301 7.162 9.249 5.910 1.00 15.00 H new ATOM 0 HB2 PRO A 301 9.880 10.026 4.780 1.00 15.00 H new ATOM 0 HB3 PRO A 301 9.011 10.799 6.091 1.00 15.00 H new ATOM 0 HG2 PRO A 301 11.148 9.300 6.617 1.00 15.00 H new ATOM 0 HG3 PRO A 301 9.763 9.255 7.688 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.584 7.251 5.579 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.959 6.956 7.189 1.00 15.00 H new ATOM 71 N GLY A 302 8.351 8.369 3.023 1.00 15.00 N ATOM 72 CA GLY A 302 8.063 8.445 1.593 1.00 15.00 C ATOM 73 C GLY A 302 6.846 7.627 1.214 1.00 15.00 C ATOM 74 O GLY A 302 6.287 7.763 0.123 1.00 15.00 O ATOM 0 H GLY A 302 9.088 7.710 3.274 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.903 9.485 1.311 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.927 8.091 1.030 1.00 15.00 H new ATOM 78 N TRP A 303 6.458 6.774 2.134 1.00 15.00 N ATOM 79 CA TRP A 303 5.466 5.744 1.911 1.00 15.00 C ATOM 80 C TRP A 303 4.050 6.208 2.210 1.00 15.00 C ATOM 81 O TRP A 303 3.831 7.047 3.085 1.00 15.00 O ATOM 82 CB TRP A 303 5.779 4.577 2.797 1.00 15.00 C ATOM 83 CG TRP A 303 6.791 3.655 2.236 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.146 3.816 2.175 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.508 2.402 1.657 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.717 2.690 1.647 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.718 1.813 1.319 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.335 1.712 1.412 1.00 15.00 C ATOM 89 CZ2 TRP A 303 7.777 0.561 0.758 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.400 0.470 0.850 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.616 -0.100 0.531 1.00 15.00 C ATOM 0 H TRP A 303 6.832 6.776 3.083 1.00 15.00 H new ATOM 0 HA TRP A 303 5.508 5.477 0.855 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.133 4.948 3.759 1.00 15.00 H new ATOM 0 HB3 TRP A 303 4.861 4.021 2.988 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.684 4.696 2.494 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.716 2.531 1.520 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.380 2.150 1.662 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 8.726 0.114 0.504 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.488 -0.074 0.652 1.00 15.00 H new ATOM 0 HH2 TRP A 303 6.643 -1.087 0.094 1.00 15.00 H new ATOM 102 N GLU A 304 3.085 5.624 1.507 1.00 15.00 N ATOM 103 CA GLU A 304 1.681 6.044 1.673 1.00 15.00 C ATOM 104 C GLU A 304 0.755 4.860 1.964 1.00 15.00 C ATOM 105 O GLU A 304 0.339 4.157 1.057 1.00 15.00 O ATOM 106 CB GLU A 304 1.214 6.806 0.435 1.00 15.00 C ATOM 107 CG GLU A 304 1.844 8.180 0.303 1.00 15.00 C ATOM 108 CD GLU A 304 1.161 9.230 1.157 1.00 15.00 C ATOM 109 OE1 GLU A 304 1.154 9.092 2.397 1.00 15.00 O ATOM 110 OE2 GLU A 304 0.636 10.212 0.584 1.00 15.00 O1- ATOM 0 H GLU A 304 3.234 4.875 0.830 1.00 15.00 H new ATOM 0 HA GLU A 304 1.632 6.704 2.539 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.448 6.220 -0.454 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.130 6.913 0.470 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.896 8.120 0.583 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.810 8.490 -0.741 1.00 15.00 H new ATOM 117 N ILE A 305 0.389 4.683 3.231 1.00 15.00 N ATOM 118 CA ILE A 305 -0.259 3.446 3.689 1.00 15.00 C ATOM 119 C ILE A 305 -1.787 3.500 3.580 1.00 15.00 C ATOM 120 O ILE A 305 -2.416 4.453 4.041 1.00 15.00 O ATOM 121 CB ILE A 305 0.127 3.135 5.160 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.636 1.914 5.682 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.140 4.340 6.057 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.172 1.437 7.044 1.00 15.00 C ATOM 0 H ILE A 305 0.528 5.379 3.964 1.00 15.00 H new ATOM 0 HA ILE A 305 0.100 2.656 3.029 1.00 15.00 H new ATOM 0 HB ILE A 305 1.194 2.912 5.182 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.697 2.156 5.735 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.530 1.098 4.967 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.138 4.099 7.083 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.450 5.189 5.711 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.199 4.595 6.018 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.760 0.570 7.345 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.881 1.162 6.994 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.304 2.236 7.774 1.00 15.00 H new ATOM 136 N ARG A 306 -2.378 2.471 2.960 1.00 15.00 N ATOM 137 CA ARG A 306 -3.833 2.327 2.914 1.00 15.00 C ATOM 138 C ARG A 306 -4.240 0.849 2.987 1.00 15.00 C ATOM 139 O ARG A 306 -3.559 -0.042 2.462 1.00 15.00 O ATOM 140 CB ARG A 306 -4.419 2.963 1.647 1.00 15.00 C ATOM 141 CG ARG A 306 -4.057 4.427 1.461 1.00 15.00 C ATOM 142 CD ARG A 306 -5.138 5.188 0.717 1.00 15.00 C ATOM 143 NE ARG A 306 -6.436 5.102 1.389 1.00 15.00 N ATOM 144 CZ ARG A 306 -6.967 6.082 2.122 1.00 15.00 C ATOM 145 NH1 ARG A 306 -6.290 7.205 2.332 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.169 5.927 2.668 1.00 15.00 N ATOM 0 H ARG A 306 -1.868 1.727 2.484 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.236 2.850 3.781 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.073 2.402 0.779 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.505 2.869 1.676 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -3.895 4.887 2.436 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.118 4.502 0.913 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -4.846 6.234 0.626 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.228 4.793 -0.295 1.00 15.00 H new ATOM 0 HE ARG A 306 -6.968 4.238 1.290 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -5.359 7.322 1.932 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -6.701 7.951 2.893 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.685 5.059 2.527 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -8.575 6.676 3.228 1.00 15.00 H new ATOM 160 N ASN A 307 -5.372 0.596 3.624 1.00 15.00 N ATOM 161 CA ASN A 307 -5.864 -0.762 3.806 1.00 15.00 C ATOM 162 C ASN A 307 -7.123 -0.981 2.955 1.00 15.00 C ATOM 163 O ASN A 307 -8.001 -0.119 2.917 1.00 15.00 O ATOM 164 CB ASN A 307 -6.193 -0.988 5.289 1.00 15.00 C ATOM 165 CG ASN A 307 -6.309 -2.458 5.670 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.634 -3.312 4.849 1.00 15.00 O ATOM 167 ND2 ASN A 307 -6.051 -2.755 6.934 1.00 15.00 N ATOM 0 H ASN A 307 -5.971 1.317 4.026 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.097 -1.470 3.491 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.419 -0.523 5.899 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -7.131 -0.485 5.525 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -6.119 -3.721 7.255 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.784 -2.018 7.587 1.00 15.00 H new ATOM 174 N THR A 308 -7.219 -2.128 2.283 1.00 15.00 N ATOM 175 CA THR A 308 -8.426 -2.478 1.551 1.00 15.00 C ATOM 176 C THR A 308 -9.365 -3.240 2.470 1.00 15.00 C ATOM 177 O THR A 308 -8.909 -3.984 3.348 1.00 15.00 O ATOM 178 CB THR A 308 -8.133 -3.351 0.308 1.00 15.00 C ATOM 179 OG1 THR A 308 -7.204 -4.396 0.644 1.00 15.00 O ATOM 180 CG2 THR A 308 -7.586 -2.521 -0.846 1.00 15.00 C ATOM 0 H THR A 308 -6.476 -2.825 2.233 1.00 15.00 H new ATOM 0 HA THR A 308 -8.878 -1.548 1.207 1.00 15.00 H new ATOM 0 HB THR A 308 -9.076 -3.793 -0.015 1.00 15.00 H new ATOM 0 HG1 THR A 308 -7.611 -4.996 1.303 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.393 -3.169 -1.701 1.00 15.00 H new ATOM 0 HG22 THR A 308 -8.315 -1.761 -1.125 1.00 15.00 H new ATOM 0 HG23 THR A 308 -6.658 -2.038 -0.539 1.00 15.00 H new ATOM 188 N ALA A 309 -10.666 -3.073 2.255 1.00 15.00 N ATOM 189 CA ALA A 309 -11.687 -3.686 3.104 1.00 15.00 C ATOM 190 C ALA A 309 -11.600 -5.213 3.095 1.00 15.00 C ATOM 191 O ALA A 309 -12.209 -5.883 3.928 1.00 15.00 O ATOM 192 CB ALA A 309 -13.070 -3.232 2.671 1.00 15.00 C ATOM 0 H ALA A 309 -11.043 -2.512 1.491 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.504 -3.357 4.127 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.822 -3.695 3.310 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.140 -2.148 2.755 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.242 -3.527 1.636 1.00 15.00 H new ATOM 198 N THR A 310 -10.868 -5.756 2.136 1.00 15.00 N ATOM 199 CA THR A 310 -10.647 -7.191 2.051 1.00 15.00 C ATOM 200 C THR A 310 -9.675 -7.657 3.140 1.00 15.00 C ATOM 201 O THR A 310 -9.557 -8.850 3.417 1.00 15.00 O ATOM 202 CB THR A 310 -10.081 -7.555 0.673 1.00 15.00 C ATOM 203 OG1 THR A 310 -10.477 -6.556 -0.276 1.00 15.00 O ATOM 204 CG2 THR A 310 -10.577 -8.919 0.216 1.00 15.00 C ATOM 0 H THR A 310 -10.413 -5.219 1.398 1.00 15.00 H new ATOM 0 HA THR A 310 -11.604 -7.692 2.197 1.00 15.00 H new ATOM 0 HB THR A 310 -8.994 -7.597 0.744 1.00 15.00 H new ATOM 0 HG1 THR A 310 -10.559 -6.963 -1.164 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.159 -9.149 -0.764 1.00 15.00 H new ATOM 0 HG22 THR A 310 -10.263 -9.679 0.932 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.665 -8.908 0.152 1.00 15.00 H new ATOM 212 N GLY A 311 -8.976 -6.701 3.743 1.00 15.00 N ATOM 213 CA GLY A 311 -8.029 -7.015 4.792 1.00 15.00 C ATOM 214 C GLY A 311 -6.606 -7.095 4.281 1.00 15.00 C ATOM 215 O GLY A 311 -5.855 -7.989 4.665 1.00 15.00 O ATOM 0 H GLY A 311 -9.051 -5.708 3.520 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.090 -6.256 5.572 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.301 -7.966 5.251 1.00 15.00 H new ATOM 219 N ARG A 312 -6.231 -6.161 3.415 1.00 15.00 N ATOM 220 CA ARG A 312 -4.888 -6.161 2.832 1.00 15.00 C ATOM 221 C ARG A 312 -4.339 -4.740 2.812 1.00 15.00 C ATOM 222 O ARG A 312 -5.005 -3.831 2.316 1.00 15.00 O ATOM 223 CB ARG A 312 -4.906 -6.684 1.397 1.00 15.00 C ATOM 224 CG ARG A 312 -5.813 -7.867 1.135 1.00 15.00 C ATOM 225 CD ARG A 312 -6.086 -7.977 -0.352 1.00 15.00 C ATOM 226 NE ARG A 312 -7.060 -6.981 -0.807 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.588 -6.952 -2.032 1.00 15.00 C ATOM 228 NH1 ARG A 312 -7.229 -7.846 -2.942 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -8.480 -6.023 -2.349 1.00 15.00 N ATOM 0 H ARG A 312 -6.830 -5.398 3.101 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.262 -6.811 3.443 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.205 -5.869 0.738 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -3.889 -6.962 1.120 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.347 -8.783 1.499 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.750 -7.748 1.679 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.154 -7.850 -0.902 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.456 -8.977 -0.580 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.353 -6.263 -0.144 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -6.544 -8.564 -2.709 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -7.638 -7.816 -3.876 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.763 -5.330 -1.656 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.883 -6.002 -3.286 1.00 15.00 H new ATOM 243 N VAL A 313 -3.117 -4.547 3.292 1.00 15.00 N ATOM 244 CA VAL A 313 -2.572 -3.201 3.422 1.00 15.00 C ATOM 245 C VAL A 313 -1.508 -2.897 2.351 1.00 15.00 C ATOM 246 O VAL A 313 -0.354 -3.297 2.472 1.00 15.00 O ATOM 247 CB VAL A 313 -1.973 -2.964 4.823 1.00 15.00 C ATOM 248 CG1 VAL A 313 -2.065 -1.491 5.192 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.673 -3.825 5.868 1.00 15.00 C ATOM 0 H VAL A 313 -2.491 -5.294 3.594 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.411 -2.521 3.275 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.922 -3.253 4.800 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.639 -1.337 6.183 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.512 -0.898 4.463 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -3.110 -1.181 5.194 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.232 -3.639 6.847 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.734 -3.575 5.894 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.555 -4.878 5.611 1.00 15.00 H new ATOM 259 N TYR A 314 -1.951 -2.237 1.288 1.00 15.00 N ATOM 260 CA TYR A 314 -1.108 -1.702 0.241 1.00 15.00 C ATOM 261 C TYR A 314 -0.692 -0.275 0.585 1.00 15.00 C ATOM 262 O TYR A 314 -1.533 0.568 0.900 1.00 15.00 O ATOM 263 CB TYR A 314 -1.896 -1.677 -1.092 1.00 15.00 C ATOM 264 CG TYR A 314 -3.092 -0.723 -1.069 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.207 -1.003 -0.289 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.083 0.479 -1.786 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.270 -0.125 -0.216 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.152 1.360 -1.719 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.236 1.051 -0.926 1.00 15.00 C ATOM 270 OH TYR A 314 -6.297 1.920 -0.847 1.00 15.00 O ATOM 0 H TYR A 314 -2.943 -2.056 1.131 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.223 -2.331 0.145 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.223 -1.386 -1.899 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.247 -2.684 -1.318 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.243 -1.926 0.271 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.230 0.724 -2.401 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.126 -0.362 0.398 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.135 2.281 -2.284 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.723 1.837 0.032 1.00 15.00 H new ATOM 280 N PHE A 315 0.582 0.019 0.546 1.00 15.00 N ATOM 281 CA PHE A 315 0.973 1.410 0.542 1.00 15.00 C ATOM 282 C PHE A 315 1.389 1.748 -0.866 1.00 15.00 C ATOM 283 O PHE A 315 2.086 0.973 -1.517 1.00 15.00 O ATOM 284 CB PHE A 315 2.137 1.777 1.479 1.00 15.00 C ATOM 285 CG PHE A 315 2.234 1.063 2.798 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.244 0.220 3.261 1.00 15.00 C ATOM 287 CD2 PHE A 315 3.391 1.201 3.544 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.417 -0.465 4.439 1.00 15.00 C ATOM 289 CE2 PHE A 315 3.579 0.497 4.699 1.00 15.00 C ATOM 290 CZ PHE A 315 2.595 -0.331 5.148 1.00 15.00 C ATOM 0 H PHE A 315 1.345 -0.657 0.517 1.00 15.00 H new ATOM 0 HA PHE A 315 0.114 1.974 0.906 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.068 1.606 0.938 1.00 15.00 H new ATOM 0 HB3 PHE A 315 2.078 2.846 1.682 1.00 15.00 H new ATOM 0 HD1 PHE A 315 0.332 0.099 2.696 1.00 15.00 H new ATOM 0 HD2 PHE A 315 4.161 1.879 3.206 1.00 15.00 H new ATOM 0 HE1 PHE A 315 0.633 -1.108 4.811 1.00 15.00 H new ATOM 0 HE2 PHE A 315 4.501 0.596 5.252 1.00 15.00 H new ATOM 0 HZ PHE A 315 2.737 -0.886 6.064 1.00 15.00 H new ATOM 300 N VAL A 316 0.971 2.890 -1.340 1.00 15.00 N ATOM 301 CA VAL A 316 1.428 3.356 -2.610 1.00 15.00 C ATOM 302 C VAL A 316 2.693 4.186 -2.396 1.00 15.00 C ATOM 303 O VAL A 316 2.723 5.079 -1.547 1.00 15.00 O ATOM 304 CB VAL A 316 0.346 4.170 -3.353 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.755 3.249 -3.857 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.250 5.249 -2.467 1.00 15.00 C ATOM 0 H VAL A 316 0.316 3.510 -0.863 1.00 15.00 H new ATOM 0 HA VAL A 316 1.651 2.497 -3.243 1.00 15.00 H new ATOM 0 HB VAL A 316 0.827 4.658 -4.201 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.511 3.837 -4.379 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.330 2.515 -4.541 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.214 2.735 -3.013 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.007 5.800 -3.024 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.707 4.789 -1.591 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.536 5.933 -2.148 1.00 15.00 H new ATOM 316 N ASP A 317 3.755 3.870 -3.120 1.00 15.00 N ATOM 317 CA ASP A 317 5.001 4.575 -2.958 1.00 15.00 C ATOM 318 C ASP A 317 4.974 5.748 -3.914 1.00 15.00 C ATOM 319 O ASP A 317 4.887 5.546 -5.132 1.00 15.00 O ATOM 320 CB ASP A 317 6.213 3.697 -3.305 1.00 15.00 C ATOM 321 CG ASP A 317 6.016 2.219 -3.068 1.00 15.00 C ATOM 322 OD1 ASP A 317 6.281 1.763 -1.945 1.00 15.00 O ATOM 323 OD2 ASP A 317 5.664 1.507 -4.034 1.00 15.00 O1- ATOM 0 H ASP A 317 3.772 3.130 -3.822 1.00 15.00 H new ATOM 0 HA ASP A 317 5.102 4.882 -1.917 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.467 3.851 -4.354 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.067 4.034 -2.718 1.00 15.00 H new ATOM 328 N HIS A 318 5.012 6.965 -3.381 1.00 15.00 N ATOM 329 CA HIS A 318 4.988 8.163 -4.221 1.00 15.00 C ATOM 330 C HIS A 318 6.287 8.298 -5.006 1.00 15.00 C ATOM 331 O HIS A 318 6.369 9.066 -5.962 1.00 15.00 O ATOM 332 CB HIS A 318 4.739 9.435 -3.395 1.00 15.00 C ATOM 333 CG HIS A 318 3.313 9.640 -2.957 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.238 8.951 -3.478 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.797 10.481 -2.029 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.128 9.357 -2.886 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.435 10.287 -1.996 1.00 15.00 N ATOM 0 H HIS A 318 5.059 7.150 -2.379 1.00 15.00 H new ATOM 0 HA HIS A 318 4.159 8.049 -4.920 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.375 9.406 -2.510 1.00 15.00 H new ATOM 0 HB3 HIS A 318 5.051 10.299 -3.983 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.291 8.239 -4.207 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.355 11.179 -1.423 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.134 8.990 -3.094 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.776 10.776 -1.390 1.00 15.00 H new ATOM 346 N ASN A 319 7.299 7.550 -4.589 1.00 15.00 N ATOM 347 CA ASN A 319 8.596 7.571 -5.252 1.00 15.00 C ATOM 348 C ASN A 319 8.519 6.909 -6.623 1.00 15.00 C ATOM 349 O ASN A 319 8.702 7.561 -7.648 1.00 15.00 O ATOM 350 CB ASN A 319 9.651 6.858 -4.394 1.00 15.00 C ATOM 351 CG ASN A 319 9.993 7.609 -3.119 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.165 8.328 -2.558 1.00 15.00 O ATOM 353 ND2 ASN A 319 11.219 7.446 -2.652 1.00 15.00 N ATOM 0 H ASN A 319 7.246 6.918 -3.790 1.00 15.00 H new ATOM 0 HA ASN A 319 8.886 8.614 -5.383 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.288 5.863 -4.136 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.558 6.723 -4.983 1.00 15.00 H new ATOM 0 HD21 ASN A 319 11.507 7.924 -1.799 1.00 15.00 H new ATOM 0 HD22 ASN A 319 11.876 6.842 -3.145 1.00 15.00 H new ATOM 360 N ASN A 320 8.226 5.615 -6.638 1.00 15.00 N ATOM 361 CA ASN A 320 8.211 4.846 -7.880 1.00 15.00 C ATOM 362 C ASN A 320 6.832 4.883 -8.536 1.00 15.00 C ATOM 363 O ASN A 320 6.680 4.526 -9.705 1.00 15.00 O ATOM 364 CB ASN A 320 8.625 3.398 -7.608 1.00 15.00 C ATOM 365 CG ASN A 320 8.794 2.580 -8.875 1.00 15.00 C ATOM 366 OD1 ASN A 320 9.214 3.090 -9.915 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.455 1.305 -8.794 1.00 15.00 N ATOM 0 H ASN A 320 7.995 5.074 -5.805 1.00 15.00 H new ATOM 0 HA ASN A 320 8.925 5.300 -8.567 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.562 3.393 -7.051 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.875 2.925 -6.974 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.537 0.703 -9.613 1.00 15.00 H new ATOM 0 HD22 ASN A 320 8.112 0.924 -7.913 1.00 15.00 H new ATOM 374 N ARG A 321 5.831 5.311 -7.766 1.00 15.00 N ATOM 375 CA ARG A 321 4.441 5.350 -8.222 1.00 15.00 C ATOM 376 C ARG A 321 3.890 3.935 -8.379 1.00 15.00 C ATOM 377 O ARG A 321 3.261 3.603 -9.385 1.00 15.00 O ATOM 378 CB ARG A 321 4.302 6.136 -9.533 1.00 15.00 C ATOM 379 CG ARG A 321 4.721 7.593 -9.416 1.00 15.00 C ATOM 380 CD ARG A 321 4.604 8.316 -10.748 1.00 15.00 C ATOM 381 NE ARG A 321 5.471 7.730 -11.771 1.00 15.00 N ATOM 382 CZ ARG A 321 5.389 8.017 -13.070 1.00 15.00 C ATOM 383 NH1 ARG A 321 4.480 8.876 -13.512 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 6.220 7.443 -13.929 1.00 15.00 N ATOM 0 H ARG A 321 5.961 5.640 -6.809 1.00 15.00 H new ATOM 0 HA ARG A 321 3.855 5.869 -7.463 1.00 15.00 H new ATOM 0 HB2 ARG A 321 4.905 5.654 -10.302 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.265 6.090 -9.866 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.099 8.093 -8.674 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.750 7.649 -9.060 1.00 15.00 H new ATOM 0 HD2 ARG A 321 3.569 8.283 -11.088 1.00 15.00 H new ATOM 0 HD3 ARG A 321 4.862 9.367 -10.614 1.00 15.00 H new ATOM 0 HE ARG A 321 6.181 7.062 -11.472 1.00 15.00 H new ATOM 0 HH11 ARG A 321 3.838 9.322 -12.856 1.00 15.00 H new ATOM 0 HH12 ARG A 321 4.423 9.091 -14.507 1.00 15.00 H new ATOM 0 HH21 ARG A 321 6.922 6.782 -13.596 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.158 7.662 -14.923 1.00 15.00 H new ATOM 398 N THR A 322 4.091 3.126 -7.350 1.00 15.00 N ATOM 399 CA THR A 322 3.659 1.728 -7.359 1.00 15.00 C ATOM 400 C THR A 322 2.873 1.396 -6.096 1.00 15.00 C ATOM 401 O THR A 322 3.083 2.020 -5.073 1.00 15.00 O ATOM 402 CB THR A 322 4.864 0.776 -7.478 1.00 15.00 C ATOM 403 OG1 THR A 322 5.966 1.281 -6.707 1.00 15.00 O ATOM 404 CG2 THR A 322 5.278 0.608 -8.931 1.00 15.00 C ATOM 0 H THR A 322 4.555 3.413 -6.488 1.00 15.00 H new ATOM 0 HA THR A 322 3.015 1.591 -8.228 1.00 15.00 H new ATOM 0 HB THR A 322 4.572 -0.200 -7.090 1.00 15.00 H new ATOM 0 HG1 THR A 322 5.669 1.461 -5.791 1.00 15.00 H new ATOM 0 HG21 THR A 322 6.131 -0.068 -8.990 1.00 15.00 H new ATOM 0 HG22 THR A 322 4.446 0.194 -9.501 1.00 15.00 H new ATOM 0 HG23 THR A 322 5.555 1.578 -9.345 1.00 15.00 H new ATOM 412 N THR A 323 1.936 0.462 -6.168 1.00 15.00 N ATOM 413 CA THR A 323 1.205 0.062 -4.973 1.00 15.00 C ATOM 414 C THR A 323 1.783 -1.240 -4.413 1.00 15.00 C ATOM 415 O THR A 323 2.182 -2.128 -5.174 1.00 15.00 O ATOM 416 CB THR A 323 -0.310 -0.078 -5.238 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.016 -0.222 -4.005 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.625 -1.265 -6.129 1.00 15.00 C ATOM 0 H THR A 323 1.667 -0.025 -7.023 1.00 15.00 H new ATOM 0 HA THR A 323 1.325 0.852 -4.231 1.00 15.00 H new ATOM 0 HB THR A 323 -0.629 0.829 -5.751 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.980 -0.164 -4.171 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.702 -1.325 -6.289 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.122 -1.143 -7.088 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.278 -2.181 -5.651 1.00 15.00 H new ATOM 426 N GLN A 324 1.851 -1.342 -3.089 1.00 15.00 N ATOM 427 CA GLN A 324 2.518 -2.465 -2.442 1.00 15.00 C ATOM 428 C GLN A 324 1.600 -3.232 -1.494 1.00 15.00 C ATOM 429 O GLN A 324 1.367 -2.796 -0.376 1.00 15.00 O ATOM 430 CB GLN A 324 3.717 -1.970 -1.628 1.00 15.00 C ATOM 431 CG GLN A 324 4.797 -1.275 -2.435 1.00 15.00 C ATOM 432 CD GLN A 324 5.585 -2.231 -3.307 1.00 15.00 C ATOM 433 OE1 GLN A 324 5.269 -2.436 -4.477 1.00 15.00 O ATOM 434 NE2 GLN A 324 6.610 -2.844 -2.731 1.00 15.00 N ATOM 0 H GLN A 324 1.452 -0.660 -2.444 1.00 15.00 H new ATOM 0 HA GLN A 324 2.830 -3.134 -3.244 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.358 -1.283 -0.862 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.162 -2.820 -1.111 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.340 -0.511 -3.063 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.479 -0.763 -1.756 1.00 15.00 H new ATOM 0 HE21 GLN A 324 6.841 -2.647 -1.757 1.00 15.00 H new ATOM 0 HE22 GLN A 324 7.168 -3.513 -3.262 1.00 15.00 H new ATOM 443 N PHE A 325 1.069 -4.364 -1.946 1.00 15.00 N ATOM 444 CA PHE A 325 0.491 -5.354 -1.027 1.00 15.00 C ATOM 445 C PHE A 325 1.611 -6.145 -0.405 1.00 15.00 C ATOM 446 O PHE A 325 1.429 -6.953 0.506 1.00 15.00 O ATOM 447 CB PHE A 325 -0.486 -6.291 -1.715 1.00 15.00 C ATOM 448 CG PHE A 325 -1.884 -5.790 -1.632 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.336 -5.154 -0.482 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.749 -5.949 -2.696 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.633 -4.683 -0.422 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.044 -5.484 -2.631 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.486 -4.848 -1.494 1.00 15.00 C ATOM 0 H PHE A 325 1.024 -4.622 -2.932 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.074 -4.817 -0.265 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.203 -6.407 -2.761 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.426 -7.278 -1.257 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.675 -5.028 0.363 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.406 -6.445 -3.592 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -3.982 -4.183 0.469 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.710 -5.618 -3.470 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.499 -4.478 -1.441 1.00 15.00 H new ATOM 463 N THR A 326 2.762 -5.905 -0.960 1.00 15.00 N ATOM 464 CA THR A 326 3.982 -6.571 -0.537 1.00 15.00 C ATOM 465 C THR A 326 4.631 -5.674 0.495 1.00 15.00 C ATOM 466 O THR A 326 5.446 -4.808 0.170 1.00 15.00 O ATOM 467 CB THR A 326 4.952 -6.794 -1.717 1.00 15.00 C ATOM 468 OG1 THR A 326 4.252 -7.401 -2.810 1.00 15.00 O ATOM 469 CG2 THR A 326 6.118 -7.682 -1.303 1.00 15.00 C ATOM 0 H THR A 326 2.893 -5.241 -1.723 1.00 15.00 H new ATOM 0 HA THR A 326 3.746 -7.555 -0.131 1.00 15.00 H new ATOM 0 HB THR A 326 5.347 -5.825 -2.024 1.00 15.00 H new ATOM 0 HG1 THR A 326 4.870 -7.540 -3.558 1.00 15.00 H new ATOM 0 HG21 THR A 326 6.787 -7.824 -2.152 1.00 15.00 H new ATOM 0 HG22 THR A 326 6.664 -7.209 -0.486 1.00 15.00 H new ATOM 0 HG23 THR A 326 5.739 -8.650 -0.974 1.00 15.00 H new ATOM 477 N ASP A 327 4.265 -5.887 1.736 1.00 15.00 N ATOM 478 CA ASP A 327 4.377 -4.836 2.704 1.00 15.00 C ATOM 479 C ASP A 327 5.064 -5.225 3.986 1.00 15.00 C ATOM 480 O ASP A 327 4.988 -6.340 4.504 1.00 15.00 O ATOM 481 CB ASP A 327 3.014 -4.272 2.950 1.00 15.00 C ATOM 482 CG ASP A 327 3.065 -2.947 3.569 1.00 15.00 C ATOM 483 OD1 ASP A 327 3.301 -1.967 2.839 1.00 15.00 O1- ATOM 484 OD2 ASP A 327 2.920 -2.886 4.784 1.00 15.00 O ATOM 0 H ASP A 327 3.893 -6.768 2.091 1.00 15.00 H new ATOM 0 HA ASP A 327 5.036 -4.077 2.283 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.473 -4.209 2.006 1.00 15.00 H new ATOM 0 HB3 ASP A 327 2.453 -4.950 3.594 1.00 15.00 H new ATOM 489 N PRO A 328 5.684 -4.194 4.486 1.00 15.00 N ATOM 490 CA PRO A 328 6.265 -4.057 5.821 1.00 15.00 C ATOM 491 C PRO A 328 5.212 -4.271 6.934 1.00 15.00 C ATOM 492 O PRO A 328 5.563 -4.456 8.101 1.00 15.00 O ATOM 493 CB PRO A 328 6.715 -2.555 5.785 1.00 15.00 C ATOM 494 CG PRO A 328 5.973 -1.990 4.596 1.00 15.00 C ATOM 495 CD PRO A 328 6.022 -3.072 3.646 1.00 15.00 C ATOM 0 HA PRO A 328 7.052 -4.779 6.036 1.00 15.00 H new ATOM 0 HB2 PRO A 328 6.451 -2.035 6.706 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.794 -2.463 5.665 1.00 15.00 H new ATOM 0 HG2 PRO A 328 4.948 -1.721 4.850 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.453 -1.091 4.210 1.00 15.00 H new ATOM 0 HD2 PRO A 328 5.310 -2.938 2.832 1.00 15.00 H new ATOM 0 HD3 PRO A 328 7.008 -3.178 3.193 1.00 15.00 H new ATOM 503 N ARG A 329 3.928 -4.241 6.561 1.00 15.00 N ATOM 504 CA ARG A 329 2.822 -4.638 7.443 1.00 15.00 C ATOM 505 C ARG A 329 2.967 -6.092 7.884 1.00 15.00 C ATOM 506 O ARG A 329 2.544 -6.464 8.978 1.00 15.00 O ATOM 507 CB ARG A 329 1.445 -4.463 6.744 1.00 15.00 C ATOM 508 CG ARG A 329 0.840 -3.071 6.883 1.00 15.00 C ATOM 509 CD ARG A 329 0.114 -2.898 8.207 1.00 15.00 C ATOM 510 NE ARG A 329 1.012 -2.579 9.318 1.00 15.00 N ATOM 511 CZ ARG A 329 1.117 -3.312 10.425 1.00 15.00 C ATOM 512 NH1 ARG A 329 0.482 -4.473 10.522 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 1.871 -2.883 11.428 1.00 15.00 N ATOM 0 H ARG A 329 3.624 -3.940 5.635 1.00 15.00 H new ATOM 0 HA ARG A 329 2.866 -3.985 8.315 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.557 -4.693 5.684 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.747 -5.192 7.156 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.628 -2.323 6.801 1.00 15.00 H new ATOM 0 HG3 ARG A 329 0.145 -2.894 6.062 1.00 15.00 H new ATOM 0 HD2 ARG A 329 -0.627 -2.104 8.107 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.429 -3.814 8.439 1.00 15.00 H new ATOM 0 HE ARG A 329 1.593 -1.744 9.240 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -0.090 -4.808 9.747 1.00 15.00 H new ATOM 0 HH12 ARG A 329 0.566 -5.031 11.372 1.00 15.00 H new ATOM 0 HH21 ARG A 329 2.367 -1.995 11.350 1.00 15.00 H new ATOM 0 HH22 ARG A 329 1.955 -3.441 12.278 1.00 15.00 H new ATOM 645 N PRO B 207 -4.427 -8.921 -6.724 1.00 15.00 N ATOM 646 CA PRO B 207 -4.221 -7.717 -7.527 1.00 15.00 C ATOM 647 C PRO B 207 -4.586 -6.449 -6.759 1.00 15.00 C ATOM 648 O PRO B 207 -5.725 -6.287 -6.319 1.00 15.00 O ATOM 649 CB PRO B 207 -5.185 -7.907 -8.703 1.00 15.00 C ATOM 650 CG PRO B 207 -5.450 -9.378 -8.790 1.00 15.00 C ATOM 651 CD PRO B 207 -5.132 -9.975 -7.443 1.00 15.00 C ATOM 0 HA PRO B 207 -3.179 -7.596 -7.821 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -6.110 -7.353 -8.542 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.748 -7.534 -9.629 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.490 -9.565 -9.057 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -4.835 -9.833 -9.566 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -6.040 -10.272 -6.918 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.514 -10.867 -7.542 1.00 15.00 H new ATOM 659 N PRO B 208 -3.612 -5.541 -6.574 1.00 15.00 N ATOM 660 CA PRO B 208 -3.781 -4.366 -5.737 1.00 15.00 C ATOM 661 C PRO B 208 -4.407 -3.176 -6.457 1.00 15.00 C ATOM 662 O PRO B 208 -4.407 -3.099 -7.689 1.00 15.00 O ATOM 663 CB PRO B 208 -2.354 -4.030 -5.297 1.00 15.00 C ATOM 664 CG PRO B 208 -1.430 -4.768 -6.216 1.00 15.00 C ATOM 665 CD PRO B 208 -2.265 -5.590 -7.160 1.00 15.00 C ATOM 0 HA PRO B 208 -4.469 -4.572 -4.917 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.176 -2.956 -5.351 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.189 -4.329 -4.262 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.806 -4.067 -6.771 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.758 -5.409 -5.645 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -2.253 -5.176 -8.168 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.897 -6.614 -7.231 1.00 15.00 H new ATOM 673 N PRO B 209 -4.941 -2.235 -5.661 1.00 15.00 N ATOM 674 CA PRO B 209 -5.520 -0.982 -6.151 1.00 15.00 C ATOM 675 C PRO B 209 -4.600 -0.261 -7.139 1.00 15.00 C ATOM 676 O PRO B 209 -3.435 0.004 -6.825 1.00 15.00 O ATOM 677 CB PRO B 209 -5.657 -0.127 -4.883 1.00 15.00 C ATOM 678 CG PRO B 209 -5.594 -1.056 -3.727 1.00 15.00 C ATOM 679 CD PRO B 209 -5.037 -2.363 -4.201 1.00 15.00 C ATOM 0 HA PRO B 209 -6.455 -1.160 -6.682 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.858 0.613 -4.828 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.599 0.421 -4.887 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.966 -0.639 -2.939 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.587 -1.199 -3.301 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.060 -2.559 -3.758 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.686 -3.192 -3.920 1.00 15.00 H new ATOM 687 N PRO B 210 -5.105 0.055 -8.346 1.00 15.00 N ATOM 688 CA PRO B 210 -4.361 0.839 -9.341 1.00 15.00 C ATOM 689 C PRO B 210 -3.830 2.133 -8.733 1.00 15.00 C ATOM 690 O PRO B 210 -4.523 2.772 -7.937 1.00 15.00 O ATOM 691 CB PRO B 210 -5.409 1.135 -10.413 1.00 15.00 C ATOM 692 CG PRO B 210 -6.393 0.027 -10.292 1.00 15.00 C ATOM 693 CD PRO B 210 -6.440 -0.328 -8.832 1.00 15.00 C ATOM 0 HA PRO B 210 -3.488 0.313 -9.728 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.881 2.104 -10.249 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -4.963 1.162 -11.407 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.375 0.336 -10.650 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.090 -0.831 -10.893 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.229 0.215 -8.311 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.633 -1.390 -8.683 1.00 15.00 H new ATOM 701 N TYR B 211 -2.626 2.532 -9.132 1.00 15.00 N ATOM 702 CA TYR B 211 -1.910 3.594 -8.440 1.00 15.00 C ATOM 703 C TYR B 211 -2.621 4.942 -8.522 1.00 15.00 C ATOM 704 O TYR B 211 -2.516 5.673 -9.509 1.00 15.00 O ATOM 705 CB TYR B 211 -0.471 3.741 -8.940 1.00 15.00 C ATOM 706 CG TYR B 211 0.340 4.705 -8.097 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.802 4.326 -6.846 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.636 5.992 -8.541 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.532 5.193 -6.061 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.368 6.864 -7.754 1.00 15.00 C ATOM 711 CZ TYR B 211 1.811 6.456 -6.516 1.00 15.00 C ATOM 712 OH TYR B 211 2.547 7.308 -5.729 1.00 15.00 O ATOM 0 H TYR B 211 -2.128 2.136 -9.929 1.00 15.00 H new ATOM 0 HA TYR B 211 -1.889 3.289 -7.394 1.00 15.00 H new ATOM 0 HB2 TYR B 211 0.013 2.764 -8.937 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.482 4.088 -9.973 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.586 3.333 -6.480 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.290 6.313 -9.512 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.883 4.878 -5.090 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.591 7.859 -8.109 1.00 15.00 H new ATOM 0 HH TYR B 211 2.660 8.165 -6.191 1.00 15.00 H new ATOM 722 N SER B 212 -3.391 5.211 -7.493 1.00 15.00 N ATOM 723 CA SER B 212 -3.887 6.529 -7.193 1.00 15.00 C ATOM 724 C SER B 212 -3.153 6.975 -5.944 1.00 15.00 C ATOM 725 O SER B 212 -2.767 6.121 -5.144 1.00 15.00 O ATOM 726 CB SER B 212 -5.399 6.497 -6.955 1.00 15.00 C ATOM 727 OG SER B 212 -5.916 7.799 -6.737 1.00 15.00 O ATOM 0 H SER B 212 -3.695 4.501 -6.827 1.00 15.00 H new ATOM 0 HA SER B 212 -3.717 7.218 -8.020 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.895 6.046 -7.815 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.620 5.867 -6.093 1.00 15.00 H new ATOM 0 HG SER B 212 -6.883 7.746 -6.590 1.00 15.00 H new ATOM 733 N ARG B 213 -2.933 8.270 -5.763 1.00 15.00 N ATOM 734 CA ARG B 213 -2.178 8.724 -4.603 1.00 15.00 C ATOM 735 C ARG B 213 -2.894 8.270 -3.345 1.00 15.00 C ATOM 736 O ARG B 213 -2.302 7.654 -2.462 1.00 15.00 O ATOM 737 CB ARG B 213 -2.060 10.254 -4.545 1.00 15.00 C ATOM 738 CG ARG B 213 -1.521 10.919 -5.787 1.00 15.00 C ATOM 739 CD ARG B 213 -1.340 12.417 -5.583 1.00 15.00 C ATOM 740 NE ARG B 213 -2.605 13.097 -5.301 1.00 15.00 N ATOM 741 CZ ARG B 213 -2.711 14.202 -4.557 1.00 15.00 C ATOM 742 NH1 ARG B 213 -1.639 14.745 -3.996 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -3.895 14.764 -4.375 1.00 15.00 N ATOM 0 H ARG B 213 -3.257 9.009 -6.387 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.176 8.301 -4.680 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -3.046 10.668 -4.333 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.416 10.518 -3.706 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -0.565 10.469 -6.056 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -2.202 10.744 -6.620 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.647 12.588 -4.759 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.888 12.851 -6.475 1.00 15.00 H new ATOM 0 HE ARG B 213 -3.459 12.703 -5.697 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -0.722 14.319 -4.130 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -1.732 15.589 -3.430 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -4.725 14.354 -4.802 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -3.977 15.607 -3.807 1.00 15.00 H new ATOM 757 N TYR B 214 -4.161 8.634 -3.252 1.00 15.00 N ATOM 758 CA TYR B 214 -4.996 8.228 -2.137 1.00 15.00 C ATOM 759 C TYR B 214 -6.194 7.431 -2.646 1.00 15.00 C ATOM 760 O TYR B 214 -7.274 7.977 -2.873 1.00 15.00 O ATOM 761 CB TYR B 214 -5.414 9.467 -1.325 1.00 15.00 C ATOM 762 CG TYR B 214 -4.258 10.432 -1.094 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.754 11.199 -2.144 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.646 10.553 0.148 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.685 12.047 -1.969 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.574 11.412 0.331 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.097 12.152 -0.731 1.00 15.00 C ATOM 768 OH TYR B 214 -1.031 13.000 -0.548 1.00 15.00 O ATOM 0 H TYR B 214 -4.637 9.215 -3.942 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.436 7.573 -1.469 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.217 9.986 -1.848 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.815 9.148 -0.363 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.214 11.125 -3.118 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.010 9.970 0.981 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.310 12.627 -2.799 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.113 11.502 1.303 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.734 12.956 0.385 1.00 15.00 H new ATOM 778 N PRO B 215 -5.982 6.139 -2.903 1.00 15.00 N ATOM 779 CA PRO B 215 -7.009 5.251 -3.443 1.00 15.00 C ATOM 780 C PRO B 215 -7.927 4.683 -2.363 1.00 15.00 C ATOM 781 O PRO B 215 -7.478 4.340 -1.273 1.00 15.00 O ATOM 782 CB PRO B 215 -6.177 4.136 -4.078 1.00 15.00 C ATOM 783 CG PRO B 215 -4.928 4.072 -3.259 1.00 15.00 C ATOM 784 CD PRO B 215 -4.700 5.445 -2.699 1.00 15.00 C ATOM 0 HA PRO B 215 -7.681 5.764 -4.131 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.711 3.186 -4.059 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.954 4.356 -5.122 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.030 3.341 -2.457 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.081 3.759 -3.870 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.433 5.405 -1.643 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.886 5.954 -3.214 1.00 15.00 H new