USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=12 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 318 HIS : +bothHN:sc= -3! C(o=-2.5!,f=-14!) USER MOD Set 1.2: B 211 TYR OH : rot 63:sc= -0.764! USER MOD Set 1.3: B 214 TYR OH : rot -117:sc= 1.22 USER MOD Set 2.1: A 320 ASN : amide:sc= -0.0274 K(o=-0.027,f=-0.54) USER MOD Set 2.2: A 322 THR OG1 : rot -160:sc= 0 USER MOD Single : A 307 ASN : amide:sc= -0.231 K(o=-0.23,f=-5.4!) USER MOD Single : A 308 THR OG1 : rot -60:sc= 1.5 USER MOD Single : A 310 THR OG1 : rot -100:sc= 0.348 USER MOD Single : A 314 TYR OH : rot -15:sc= 0.662 USER MOD Single : A 319 ASN :FLIP amide:sc= -0.027 F(o=-1.7!,f=-0.027) USER MOD Single : A 323 THR OG1 : rot -150:sc= -2.01! USER MOD Single : A 324 GLN :FLIP amide:sc= -1.67! C(o=-6.7!,f=-1.7!) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 299 6.245 6.069 9.985 1.00 15.00 N ATOM 25 CA LEU A 299 5.961 5.965 8.559 1.00 15.00 C ATOM 26 C LEU A 299 6.886 6.892 7.778 1.00 15.00 C ATOM 27 O LEU A 299 6.997 8.076 8.101 1.00 15.00 O ATOM 28 CB LEU A 299 4.502 6.341 8.277 1.00 15.00 C ATOM 29 CG LEU A 299 4.051 6.168 6.826 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.910 4.695 6.476 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.746 6.905 6.586 1.00 15.00 C ATOM 0 HA LEU A 299 6.129 4.935 8.245 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.858 5.735 8.915 1.00 15.00 H new ATOM 0 HB3 LEU A 299 4.350 7.381 8.566 1.00 15.00 H new ATOM 0 HG LEU A 299 4.814 6.597 6.176 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.588 4.597 5.439 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.870 4.196 6.607 1.00 15.00 H new ATOM 0 HD13 LEU A 299 3.170 4.235 7.131 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.439 6.772 5.549 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.976 6.506 7.247 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.885 7.967 6.790 1.00 15.00 H new ATOM 43 N PRO A 300 7.563 6.375 6.745 1.00 15.00 N ATOM 44 CA PRO A 300 8.432 7.188 5.893 1.00 15.00 C ATOM 45 C PRO A 300 7.624 8.230 5.114 1.00 15.00 C ATOM 46 O PRO A 300 6.619 7.897 4.494 1.00 15.00 O ATOM 47 CB PRO A 300 9.067 6.167 4.937 1.00 15.00 C ATOM 48 CG PRO A 300 8.821 4.833 5.562 1.00 15.00 C ATOM 49 CD PRO A 300 7.534 4.969 6.314 1.00 15.00 C ATOM 0 HA PRO A 300 9.170 7.751 6.465 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.618 6.225 3.945 1.00 15.00 H new ATOM 0 HB3 PRO A 300 10.134 6.353 4.815 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.751 4.053 4.804 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.637 4.557 6.230 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.671 4.756 5.683 1.00 15.00 H new ATOM 0 HD3 PRO A 300 7.485 4.286 7.162 1.00 15.00 H new ATOM 57 N PRO A 301 8.062 9.503 5.128 1.00 15.00 N ATOM 58 CA PRO A 301 7.320 10.619 4.510 1.00 15.00 C ATOM 59 C PRO A 301 7.221 10.522 2.983 1.00 15.00 C ATOM 60 O PRO A 301 6.530 11.317 2.345 1.00 15.00 O ATOM 61 CB PRO A 301 8.126 11.861 4.912 1.00 15.00 C ATOM 62 CG PRO A 301 9.012 11.414 6.026 1.00 15.00 C ATOM 63 CD PRO A 301 9.302 9.967 5.761 1.00 15.00 C ATOM 0 HA PRO A 301 6.284 10.630 4.849 1.00 15.00 H new ATOM 0 HB2 PRO A 301 8.710 12.239 4.073 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.469 12.669 5.233 1.00 15.00 H new ATOM 0 HG2 PRO A 301 9.932 11.999 6.053 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.523 11.544 6.991 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.164 9.840 5.106 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.517 9.422 6.680 1.00 15.00 H new ATOM 71 N GLY A 302 7.945 9.576 2.404 1.00 15.00 N ATOM 72 CA GLY A 302 7.837 9.315 0.980 1.00 15.00 C ATOM 73 C GLY A 302 6.812 8.236 0.689 1.00 15.00 C ATOM 74 O GLY A 302 6.386 8.048 -0.457 1.00 15.00 O ATOM 0 H GLY A 302 8.610 8.980 2.897 1.00 15.00 H new ATOM 0 HA2 GLY A 302 7.559 10.232 0.461 1.00 15.00 H new ATOM 0 HA3 GLY A 302 8.808 9.010 0.590 1.00 15.00 H new ATOM 78 N TRP A 303 6.434 7.526 1.740 1.00 15.00 N ATOM 79 CA TRP A 303 5.544 6.384 1.644 1.00 15.00 C ATOM 80 C TRP A 303 4.107 6.772 1.905 1.00 15.00 C ATOM 81 O TRP A 303 3.836 7.691 2.674 1.00 15.00 O ATOM 82 CB TRP A 303 5.944 5.330 2.650 1.00 15.00 C ATOM 83 CG TRP A 303 6.987 4.416 2.139 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.306 4.693 1.944 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.795 3.060 1.752 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.947 3.584 1.473 1.00 15.00 N ATOM 87 CE2 TRP A 303 8.036 2.568 1.353 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.693 2.208 1.713 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.203 1.268 0.926 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.870 0.916 1.288 1.00 15.00 C ATOM 91 CH2 TRP A 303 7.114 0.455 0.899 1.00 15.00 C ATOM 0 H TRP A 303 6.740 7.729 2.691 1.00 15.00 H new ATOM 0 HA TRP A 303 5.626 5.996 0.629 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.306 5.817 3.555 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.065 4.750 2.930 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.775 5.647 2.134 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.940 3.522 1.248 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.716 2.559 2.012 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.173 0.905 0.621 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 5.023 0.247 1.257 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.222 -0.567 0.568 1.00 15.00 H new ATOM 102 N GLU A 304 3.183 6.050 1.290 1.00 15.00 N ATOM 103 CA GLU A 304 1.764 6.352 1.474 1.00 15.00 C ATOM 104 C GLU A 304 1.005 5.097 1.895 1.00 15.00 C ATOM 105 O GLU A 304 0.947 4.122 1.158 1.00 15.00 O ATOM 106 CB GLU A 304 1.197 6.949 0.184 1.00 15.00 C ATOM 107 CG GLU A 304 1.807 8.292 -0.173 1.00 15.00 C ATOM 108 CD GLU A 304 1.203 9.450 0.601 1.00 15.00 C ATOM 109 OE1 GLU A 304 1.283 9.455 1.845 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 0.654 10.370 -0.047 1.00 15.00 O ATOM 0 H GLU A 304 3.380 5.265 0.670 1.00 15.00 H new ATOM 0 HA GLU A 304 1.646 7.087 2.271 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.366 6.251 -0.636 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.118 7.064 0.288 1.00 15.00 H new ATOM 0 HG2 GLU A 304 2.880 8.258 0.016 1.00 15.00 H new ATOM 0 HG3 GLU A 304 1.677 8.470 -1.240 1.00 15.00 H new ATOM 117 N ILE A 305 0.428 5.114 3.087 1.00 15.00 N ATOM 118 CA ILE A 305 -0.182 3.912 3.647 1.00 15.00 C ATOM 119 C ILE A 305 -1.709 3.911 3.515 1.00 15.00 C ATOM 120 O ILE A 305 -2.376 4.894 3.847 1.00 15.00 O ATOM 121 CB ILE A 305 0.194 3.730 5.140 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.509 2.495 5.721 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.153 4.980 5.940 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.173 2.219 7.171 1.00 15.00 C ATOM 0 H ILE A 305 0.368 5.939 3.684 1.00 15.00 H new ATOM 0 HA ILE A 305 0.214 3.080 3.065 1.00 15.00 H new ATOM 0 HB ILE A 305 1.271 3.576 5.209 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.587 2.626 5.627 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.241 1.623 5.124 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.119 4.830 6.985 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.397 5.832 5.540 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.223 5.173 5.868 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.709 1.331 7.506 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.900 2.054 7.271 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.467 3.073 7.782 1.00 15.00 H new ATOM 136 N ARG A 306 -2.252 2.804 3.007 1.00 15.00 N ATOM 137 CA ARG A 306 -3.686 2.558 3.045 1.00 15.00 C ATOM 138 C ARG A 306 -3.967 1.074 3.240 1.00 15.00 C ATOM 139 O ARG A 306 -3.204 0.220 2.787 1.00 15.00 O ATOM 140 CB ARG A 306 -4.390 3.039 1.776 1.00 15.00 C ATOM 141 CG ARG A 306 -4.663 4.530 1.747 1.00 15.00 C ATOM 142 CD ARG A 306 -5.909 4.839 0.944 1.00 15.00 C ATOM 143 NE ARG A 306 -7.007 3.924 1.270 1.00 15.00 N ATOM 144 CZ ARG A 306 -8.136 4.284 1.881 1.00 15.00 C ATOM 145 NH1 ARG A 306 -8.319 5.536 2.282 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -9.092 3.386 2.088 1.00 15.00 N ATOM 0 H ARG A 306 -1.712 2.061 2.562 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.080 3.126 3.888 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -3.779 2.775 0.912 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.335 2.505 1.673 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.781 4.901 2.765 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.809 5.051 1.314 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -6.221 5.865 1.138 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.682 4.770 -0.120 1.00 15.00 H new ATOM 0 HE ARG A 306 -6.900 2.943 1.011 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.592 6.234 2.124 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -9.187 5.800 2.748 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.962 2.422 1.780 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -9.956 3.660 2.555 1.00 15.00 H new ATOM 160 N ASN A 307 -5.064 0.783 3.913 1.00 15.00 N ATOM 161 CA ASN A 307 -5.507 -0.588 4.131 1.00 15.00 C ATOM 162 C ASN A 307 -6.741 -0.863 3.262 1.00 15.00 C ATOM 163 O ASN A 307 -7.641 -0.027 3.190 1.00 15.00 O ATOM 164 CB ASN A 307 -5.848 -0.779 5.616 1.00 15.00 C ATOM 165 CG ASN A 307 -6.031 -2.235 6.023 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.447 -3.077 5.232 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.720 -2.541 7.274 1.00 15.00 N ATOM 0 H ASN A 307 -5.676 1.488 4.325 1.00 15.00 H new ATOM 0 HA ASN A 307 -4.716 -1.286 3.856 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -5.055 -0.340 6.221 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.762 -0.231 5.843 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.824 -3.500 7.605 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.377 -1.817 7.906 1.00 15.00 H new ATOM 174 N THR A 308 -6.794 -2.029 2.623 1.00 15.00 N ATOM 175 CA THR A 308 -7.915 -2.378 1.763 1.00 15.00 C ATOM 176 C THR A 308 -8.984 -3.078 2.582 1.00 15.00 C ATOM 177 O THR A 308 -8.671 -3.985 3.364 1.00 15.00 O ATOM 178 CB THR A 308 -7.498 -3.330 0.618 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.080 -3.348 0.474 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.127 -2.906 -0.697 1.00 15.00 C ATOM 0 H THR A 308 -6.072 -2.747 2.686 1.00 15.00 H new ATOM 0 HA THR A 308 -8.287 -1.449 1.330 1.00 15.00 H new ATOM 0 HB THR A 308 -7.850 -4.329 0.875 1.00 15.00 H new ATOM 0 HG1 THR A 308 -5.761 -2.446 0.261 1.00 15.00 H new ATOM 0 HG21 THR A 308 -7.818 -3.592 -1.486 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.213 -2.926 -0.604 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.802 -1.896 -0.947 1.00 15.00 H new ATOM 188 N ALA A 309 -10.238 -2.678 2.385 1.00 15.00 N ATOM 189 CA ALA A 309 -11.368 -3.253 3.118 1.00 15.00 C ATOM 190 C ALA A 309 -11.491 -4.758 2.872 1.00 15.00 C ATOM 191 O ALA A 309 -12.191 -5.463 3.599 1.00 15.00 O ATOM 192 CB ALA A 309 -12.656 -2.544 2.739 1.00 15.00 C ATOM 0 H ALA A 309 -10.501 -1.952 1.718 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.184 -3.108 4.183 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.488 -2.981 3.291 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -12.574 -1.485 2.984 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -12.832 -2.656 1.669 1.00 15.00 H new ATOM 198 N THR A 310 -10.811 -5.237 1.839 1.00 15.00 N ATOM 199 CA THR A 310 -10.770 -6.658 1.532 1.00 15.00 C ATOM 200 C THR A 310 -9.910 -7.429 2.542 1.00 15.00 C ATOM 201 O THR A 310 -9.979 -8.657 2.615 1.00 15.00 O ATOM 202 CB THR A 310 -10.245 -6.898 0.101 1.00 15.00 C ATOM 203 OG1 THR A 310 -9.174 -5.988 -0.197 1.00 15.00 O ATOM 204 CG2 THR A 310 -11.357 -6.725 -0.921 1.00 15.00 C ATOM 0 H THR A 310 -10.276 -4.655 1.195 1.00 15.00 H new ATOM 0 HA THR A 310 -11.792 -7.032 1.600 1.00 15.00 H new ATOM 0 HB THR A 310 -9.875 -7.922 0.047 1.00 15.00 H new ATOM 0 HG1 THR A 310 -9.517 -5.244 -0.734 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.962 -6.899 -1.922 1.00 15.00 H new ATOM 0 HG22 THR A 310 -12.154 -7.440 -0.716 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.754 -5.712 -0.859 1.00 15.00 H new ATOM 212 N GLY A 311 -9.108 -6.702 3.320 1.00 15.00 N ATOM 213 CA GLY A 311 -8.306 -7.326 4.364 1.00 15.00 C ATOM 214 C GLY A 311 -6.849 -7.499 3.976 1.00 15.00 C ATOM 215 O GLY A 311 -6.253 -8.544 4.235 1.00 15.00 O ATOM 0 H GLY A 311 -8.999 -5.691 3.246 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.365 -6.721 5.269 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.729 -8.301 4.604 1.00 15.00 H new ATOM 219 N ARG A 312 -6.268 -6.472 3.366 1.00 15.00 N ATOM 220 CA ARG A 312 -4.880 -6.527 2.891 1.00 15.00 C ATOM 221 C ARG A 312 -4.282 -5.125 2.950 1.00 15.00 C ATOM 222 O ARG A 312 -5.011 -4.156 2.810 1.00 15.00 O ATOM 223 CB ARG A 312 -4.819 -7.040 1.447 1.00 15.00 C ATOM 224 CG ARG A 312 -5.425 -8.414 1.217 1.00 15.00 C ATOM 225 CD ARG A 312 -5.607 -8.682 -0.266 1.00 15.00 C ATOM 226 NE ARG A 312 -6.630 -7.815 -0.852 1.00 15.00 N ATOM 227 CZ ARG A 312 -6.830 -7.659 -2.161 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.105 -8.337 -3.045 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -7.770 -6.832 -2.586 1.00 15.00 N ATOM 0 H ARG A 312 -6.736 -5.584 3.185 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.316 -7.210 3.527 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.330 -6.324 0.803 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -3.776 -7.064 1.132 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -4.781 -9.178 1.653 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.388 -8.481 1.724 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -4.660 -8.527 -0.783 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -5.885 -9.725 -0.416 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.232 -7.294 -0.215 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.386 -8.986 -2.725 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.268 -8.209 -4.044 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.338 -6.317 -1.914 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.927 -6.709 -3.586 1.00 15.00 H new ATOM 243 N VAL A 313 -2.980 -4.989 3.154 1.00 15.00 N ATOM 244 CA VAL A 313 -2.394 -3.654 3.228 1.00 15.00 C ATOM 245 C VAL A 313 -1.518 -3.354 2.004 1.00 15.00 C ATOM 246 O VAL A 313 -0.694 -4.163 1.605 1.00 15.00 O ATOM 247 CB VAL A 313 -1.570 -3.440 4.510 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.352 -1.954 4.749 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.251 -4.078 5.709 1.00 15.00 C ATOM 0 H VAL A 313 -2.323 -5.761 3.269 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.236 -2.961 3.246 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.601 -3.922 4.379 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -0.768 -1.814 5.659 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -0.815 -1.524 3.903 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.316 -1.458 4.857 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -1.647 -3.912 6.601 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.236 -3.632 5.848 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.359 -5.149 5.539 1.00 15.00 H new ATOM 259 N TYR A 314 -1.693 -2.163 1.449 1.00 15.00 N ATOM 260 CA TYR A 314 -1.066 -1.736 0.222 1.00 15.00 C ATOM 261 C TYR A 314 -0.526 -0.323 0.421 1.00 15.00 C ATOM 262 O TYR A 314 -1.276 0.631 0.626 1.00 15.00 O ATOM 263 CB TYR A 314 -2.063 -1.776 -0.957 1.00 15.00 C ATOM 264 CG TYR A 314 -3.262 -0.852 -0.809 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.276 -1.150 0.084 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.377 0.316 -1.559 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.368 -0.322 0.234 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.472 1.154 -1.411 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.462 0.827 -0.509 1.00 15.00 C ATOM 270 OH TYR A 314 -6.559 1.647 -0.354 1.00 15.00 O ATOM 0 H TYR A 314 -2.296 -1.450 1.859 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.250 -2.415 -0.023 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.532 -1.516 -1.873 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.422 -2.798 -1.076 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.211 -2.051 0.676 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.602 0.573 -2.266 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.148 -0.578 0.936 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.549 2.057 -1.999 1.00 15.00 H new ATOM 0 HH TYR A 314 -7.265 1.162 0.122 1.00 15.00 H new ATOM 280 N PHE A 315 0.775 -0.202 0.432 1.00 15.00 N ATOM 281 CA PHE A 315 1.401 1.095 0.544 1.00 15.00 C ATOM 282 C PHE A 315 1.735 1.601 -0.836 1.00 15.00 C ATOM 283 O PHE A 315 2.535 1.002 -1.534 1.00 15.00 O ATOM 284 CB PHE A 315 2.687 1.022 1.358 1.00 15.00 C ATOM 285 CG PHE A 315 2.521 0.623 2.794 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.991 -0.606 3.130 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.925 1.475 3.807 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.861 -0.978 4.448 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.804 1.105 5.130 1.00 15.00 C ATOM 290 CZ PHE A 315 2.270 -0.125 5.449 1.00 15.00 C ATOM 0 H PHE A 315 1.425 -0.985 0.365 1.00 15.00 H new ATOM 0 HA PHE A 315 0.706 1.766 1.049 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.361 0.312 0.878 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.174 1.997 1.324 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.675 -1.283 2.350 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.340 2.441 3.559 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.438 -1.940 4.698 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.126 1.776 5.913 1.00 15.00 H new ATOM 0 HZ PHE A 315 2.172 -0.420 6.483 1.00 15.00 H new ATOM 300 N VAL A 316 1.164 2.706 -1.231 1.00 15.00 N ATOM 301 CA VAL A 316 1.476 3.238 -2.526 1.00 15.00 C ATOM 302 C VAL A 316 2.675 4.174 -2.393 1.00 15.00 C ATOM 303 O VAL A 316 2.630 5.159 -1.659 1.00 15.00 O ATOM 304 CB VAL A 316 0.268 3.955 -3.183 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.760 2.935 -3.638 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.384 4.950 -2.243 1.00 15.00 C ATOM 0 H VAL A 316 0.492 3.246 -0.685 1.00 15.00 H new ATOM 0 HA VAL A 316 1.724 2.411 -3.191 1.00 15.00 H new ATOM 0 HB VAL A 316 0.647 4.507 -4.043 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.604 3.449 -4.098 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.307 2.261 -4.364 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -1.109 2.362 -2.779 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.225 5.428 -2.745 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.740 4.431 -1.353 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.344 5.708 -1.953 1.00 15.00 H new ATOM 316 N ASP A 317 3.781 3.841 -3.054 1.00 15.00 N ATOM 317 CA ASP A 317 4.975 4.636 -2.917 1.00 15.00 C ATOM 318 C ASP A 317 4.921 5.698 -3.986 1.00 15.00 C ATOM 319 O ASP A 317 4.795 5.370 -5.168 1.00 15.00 O ATOM 320 CB ASP A 317 6.250 3.808 -3.143 1.00 15.00 C ATOM 321 CG ASP A 317 6.123 2.354 -2.768 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.612 1.578 -3.598 1.00 15.00 O ATOM 323 OD2 ASP A 317 6.585 1.979 -1.678 1.00 15.00 O1- ATOM 0 H ASP A 317 3.865 3.038 -3.677 1.00 15.00 H new ATOM 0 HA ASP A 317 5.012 5.046 -1.908 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.531 3.876 -4.194 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.062 4.250 -2.566 1.00 15.00 H new ATOM 328 N HIS A 318 4.982 6.960 -3.585 1.00 15.00 N ATOM 329 CA HIS A 318 4.998 8.057 -4.551 1.00 15.00 C ATOM 330 C HIS A 318 6.347 8.108 -5.256 1.00 15.00 C ATOM 331 O HIS A 318 6.502 8.773 -6.274 1.00 15.00 O ATOM 332 CB HIS A 318 4.698 9.407 -3.889 1.00 15.00 C ATOM 333 CG HIS A 318 3.267 9.607 -3.465 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.219 8.803 -3.871 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.719 10.540 -2.651 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.100 9.237 -3.327 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.369 10.287 -2.576 1.00 15.00 N ATOM 0 H HIS A 318 5.021 7.251 -2.608 1.00 15.00 H new ATOM 0 HA HIS A 318 4.211 7.867 -5.281 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.338 9.515 -3.014 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.970 10.203 -4.583 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.299 7.999 -4.494 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.247 11.339 -2.151 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.122 8.803 -3.473 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.691 10.821 -2.032 1.00 15.00 H new ATOM 346 N ASN A 319 7.329 7.409 -4.689 1.00 15.00 N ATOM 347 CA ASN A 319 8.663 7.350 -5.281 1.00 15.00 C ATOM 348 C ASN A 319 8.667 6.432 -6.500 1.00 15.00 C ATOM 349 O ASN A 319 9.215 6.773 -7.544 1.00 15.00 O ATOM 350 CB ASN A 319 9.714 6.854 -4.269 1.00 15.00 C ATOM 351 CG ASN A 319 10.054 7.861 -3.176 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.059 8.571 -2.671 1.00 15.00 O flip ATOM 353 ND2 ASN A 319 11.208 7.974 -2.764 1.00 15.00 N flip ATOM 0 H ASN A 319 7.226 6.878 -3.824 1.00 15.00 H new ATOM 0 HA ASN A 319 8.926 8.364 -5.583 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.350 5.938 -3.803 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.627 6.597 -4.807 1.00 15.00 H new ATOM 0 HD21 ASN A 319 11.953 7.412 -3.175 1.00 15.00 H new ATOM 0 HD22 ASN A 319 11.419 8.630 -2.012 1.00 15.00 H new ATOM 360 N ASN A 320 8.063 5.258 -6.347 1.00 15.00 N ATOM 361 CA ASN A 320 8.050 4.252 -7.410 1.00 15.00 C ATOM 362 C ASN A 320 6.728 4.269 -8.183 1.00 15.00 C ATOM 363 O ASN A 320 6.614 3.669 -9.253 1.00 15.00 O ATOM 364 CB ASN A 320 8.303 2.859 -6.821 1.00 15.00 C ATOM 365 CG ASN A 320 8.556 1.799 -7.883 1.00 15.00 C ATOM 366 OD1 ASN A 320 9.076 2.089 -8.959 1.00 15.00 O ATOM 367 ND2 ASN A 320 8.204 0.559 -7.579 1.00 15.00 N ATOM 0 H ASN A 320 7.575 4.977 -5.497 1.00 15.00 H new ATOM 0 HA ASN A 320 8.848 4.495 -8.111 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.161 2.905 -6.150 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.443 2.564 -6.219 1.00 15.00 H new ATOM 0 HD21 ASN A 320 8.362 -0.195 -8.248 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.775 0.358 -6.676 1.00 15.00 H new ATOM 374 N ARG A 321 5.720 4.933 -7.610 1.00 15.00 N ATOM 375 CA ARG A 321 4.375 4.996 -8.192 1.00 15.00 C ATOM 376 C ARG A 321 3.752 3.608 -8.253 1.00 15.00 C ATOM 377 O ARG A 321 3.045 3.268 -9.199 1.00 15.00 O ATOM 378 CB ARG A 321 4.405 5.626 -9.584 1.00 15.00 C ATOM 379 CG ARG A 321 4.808 7.087 -9.579 1.00 15.00 C ATOM 380 CD ARG A 321 4.943 7.622 -10.991 1.00 15.00 C ATOM 381 NE ARG A 321 5.944 6.878 -11.751 1.00 15.00 N ATOM 382 CZ ARG A 321 6.954 7.437 -12.411 1.00 15.00 C ATOM 383 NH1 ARG A 321 7.097 8.759 -12.436 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 7.823 6.669 -13.053 1.00 15.00 N ATOM 0 H ARG A 321 5.813 5.442 -6.731 1.00 15.00 H new ATOM 0 HA ARG A 321 3.762 5.626 -7.548 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.100 5.068 -10.212 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.419 5.531 -10.038 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.065 7.670 -9.036 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.754 7.204 -9.051 1.00 15.00 H new ATOM 0 HD2 ARG A 321 3.980 7.561 -11.498 1.00 15.00 H new ATOM 0 HD3 ARG A 321 5.219 8.676 -10.957 1.00 15.00 H new ATOM 0 HE ARG A 321 5.863 5.862 -11.777 1.00 15.00 H new ATOM 0 HH11 ARG A 321 6.429 9.354 -11.946 1.00 15.00 H new ATOM 0 HH12 ARG A 321 7.875 9.178 -12.945 1.00 15.00 H new ATOM 0 HH21 ARG A 321 7.715 5.655 -13.039 1.00 15.00 H new ATOM 0 HH22 ARG A 321 8.600 7.092 -13.561 1.00 15.00 H new ATOM 398 N THR A 322 3.986 2.832 -7.211 1.00 15.00 N ATOM 399 CA THR A 322 3.501 1.454 -7.167 1.00 15.00 C ATOM 400 C THR A 322 2.769 1.180 -5.852 1.00 15.00 C ATOM 401 O THR A 322 3.060 1.815 -4.845 1.00 15.00 O ATOM 402 CB THR A 322 4.666 0.460 -7.355 1.00 15.00 C ATOM 403 OG1 THR A 322 5.385 0.794 -8.549 1.00 15.00 O ATOM 404 CG2 THR A 322 4.169 -0.977 -7.457 1.00 15.00 C ATOM 0 H THR A 322 4.506 3.125 -6.384 1.00 15.00 H new ATOM 0 HA THR A 322 2.796 1.316 -7.987 1.00 15.00 H new ATOM 0 HB THR A 322 5.316 0.534 -6.483 1.00 15.00 H new ATOM 0 HG1 THR A 322 5.903 0.017 -8.847 1.00 15.00 H new ATOM 0 HG21 THR A 322 5.018 -1.647 -7.589 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.635 -1.243 -6.545 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.498 -1.070 -8.311 1.00 15.00 H new ATOM 412 N THR A 323 1.791 0.278 -5.875 1.00 15.00 N ATOM 413 CA THR A 323 1.090 -0.106 -4.657 1.00 15.00 C ATOM 414 C THR A 323 1.724 -1.361 -4.048 1.00 15.00 C ATOM 415 O THR A 323 2.150 -2.269 -4.766 1.00 15.00 O ATOM 416 CB THR A 323 -0.424 -0.309 -4.899 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.098 -0.534 -3.657 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.695 -1.471 -5.834 1.00 15.00 C ATOM 0 H THR A 323 1.469 -0.197 -6.718 1.00 15.00 H new ATOM 0 HA THR A 323 1.190 0.714 -3.946 1.00 15.00 H new ATOM 0 HB THR A 323 -0.802 0.600 -5.367 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.881 -1.104 -3.808 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.770 -1.579 -5.978 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.218 -1.283 -6.796 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.292 -2.387 -5.402 1.00 15.00 H new ATOM 426 N GLN A 324 1.796 -1.402 -2.725 1.00 15.00 N ATOM 427 CA GLN A 324 2.560 -2.428 -2.037 1.00 15.00 C ATOM 428 C GLN A 324 1.718 -3.268 -1.088 1.00 15.00 C ATOM 429 O GLN A 324 1.488 -2.873 0.046 1.00 15.00 O ATOM 430 CB GLN A 324 3.705 -1.805 -1.218 1.00 15.00 C ATOM 431 CG GLN A 324 4.780 -1.080 -2.015 1.00 15.00 C ATOM 432 CD GLN A 324 5.595 -1.991 -2.928 1.00 15.00 C ATOM 433 OE1 GLN A 324 4.959 -2.971 -3.553 1.00 15.00 O flip ATOM 434 NE2 GLN A 324 6.795 -1.785 -3.102 1.00 15.00 N flip ATOM 0 H GLN A 324 1.333 -0.735 -2.108 1.00 15.00 H new ATOM 0 HA GLN A 324 2.948 -3.074 -2.825 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.274 -1.102 -0.505 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.182 -2.595 -0.638 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.309 -0.304 -2.619 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.456 -0.578 -1.322 1.00 15.00 H new ATOM 0 HE21 GLN A 324 7.259 -1.023 -2.607 1.00 15.00 H new ATOM 0 HE22 GLN A 324 7.327 -2.376 -3.741 1.00 15.00 H new ATOM 443 N PHE A 325 1.272 -4.429 -1.554 1.00 15.00 N ATOM 444 CA PHE A 325 0.870 -5.503 -0.642 1.00 15.00 C ATOM 445 C PHE A 325 2.120 -6.039 0.005 1.00 15.00 C ATOM 446 O PHE A 325 2.099 -6.869 0.910 1.00 15.00 O ATOM 447 CB PHE A 325 0.092 -6.607 -1.341 1.00 15.00 C ATOM 448 CG PHE A 325 -1.357 -6.277 -1.432 1.00 15.00 C ATOM 449 CD1 PHE A 325 -1.980 -5.596 -0.398 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.092 -6.624 -2.548 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.317 -5.263 -0.491 1.00 15.00 C ATOM 452 CE2 PHE A 325 -3.430 -6.299 -2.638 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.041 -5.616 -1.610 1.00 15.00 C ATOM 0 H PHE A 325 1.179 -4.653 -2.545 1.00 15.00 H new ATOM 0 HA PHE A 325 0.189 -5.102 0.108 1.00 15.00 H new ATOM 0 HB2 PHE A 325 0.495 -6.761 -2.342 1.00 15.00 H new ATOM 0 HB3 PHE A 325 0.220 -7.544 -0.799 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.418 -5.325 0.483 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -1.615 -7.155 -3.359 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -3.796 -4.725 0.314 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -3.997 -6.580 -3.513 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.087 -5.357 -1.680 1.00 15.00 H new ATOM 463 N THR A 326 3.209 -5.558 -0.543 1.00 15.00 N ATOM 464 CA THR A 326 4.530 -5.863 -0.048 1.00 15.00 C ATOM 465 C THR A 326 4.814 -4.836 1.024 1.00 15.00 C ATOM 466 O THR A 326 5.344 -3.755 0.745 1.00 15.00 O ATOM 467 CB THR A 326 5.607 -5.757 -1.148 1.00 15.00 C ATOM 468 OG1 THR A 326 5.243 -6.547 -2.284 1.00 15.00 O ATOM 469 CG2 THR A 326 6.963 -6.220 -0.634 1.00 15.00 C ATOM 0 H THR A 326 3.204 -4.938 -1.353 1.00 15.00 H new ATOM 0 HA THR A 326 4.561 -6.888 0.322 1.00 15.00 H new ATOM 0 HB THR A 326 5.677 -4.709 -1.439 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.935 -6.468 -2.973 1.00 15.00 H new ATOM 0 HG21 THR A 326 7.702 -6.134 -1.430 1.00 15.00 H new ATOM 0 HG22 THR A 326 7.264 -5.598 0.209 1.00 15.00 H new ATOM 0 HG23 THR A 326 6.895 -7.259 -0.312 1.00 15.00 H new ATOM 477 N ASP A 327 4.445 -5.155 2.239 1.00 15.00 N ATOM 478 CA ASP A 327 4.288 -4.149 3.247 1.00 15.00 C ATOM 479 C ASP A 327 5.143 -4.349 4.440 1.00 15.00 C ATOM 480 O ASP A 327 5.510 -5.458 4.827 1.00 15.00 O ATOM 481 CB ASP A 327 2.852 -3.991 3.705 1.00 15.00 C ATOM 482 CG ASP A 327 2.110 -5.300 3.911 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.762 -6.308 4.247 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.869 -5.304 3.792 1.00 15.00 O1- ATOM 0 H ASP A 327 4.248 -6.106 2.550 1.00 15.00 H new ATOM 0 HA ASP A 327 4.612 -3.238 2.745 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.842 -3.431 4.640 1.00 15.00 H new ATOM 0 HB3 ASP A 327 2.313 -3.394 2.970 1.00 15.00 H new ATOM 489 N PRO A 328 5.466 -3.222 5.037 1.00 15.00 N ATOM 490 CA PRO A 328 6.076 -3.170 6.339 1.00 15.00 C ATOM 491 C PRO A 328 5.074 -3.735 7.362 1.00 15.00 C ATOM 492 O PRO A 328 5.413 -4.032 8.508 1.00 15.00 O ATOM 493 CB PRO A 328 6.378 -1.668 6.525 1.00 15.00 C ATOM 494 CG PRO A 328 6.207 -1.067 5.156 1.00 15.00 C ATOM 495 CD PRO A 328 5.163 -1.882 4.514 1.00 15.00 C ATOM 0 HA PRO A 328 6.985 -3.759 6.463 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.696 -1.214 7.244 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.389 -1.512 6.902 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.909 -0.020 5.218 1.00 15.00 H new ATOM 0 HG3 PRO A 328 7.138 -1.100 4.590 1.00 15.00 H new ATOM 0 HD2 PRO A 328 4.161 -1.553 4.788 1.00 15.00 H new ATOM 0 HD3 PRO A 328 5.225 -1.844 3.426 1.00 15.00 H new ATOM 503 N ARG A 329 3.809 -3.849 6.907 1.00 15.00 N ATOM 504 CA ARG A 329 2.722 -4.455 7.677 1.00 15.00 C ATOM 505 C ARG A 329 2.892 -5.967 7.820 1.00 15.00 C ATOM 506 O ARG A 329 2.235 -6.590 8.655 1.00 15.00 O ATOM 507 CB ARG A 329 1.349 -4.146 7.038 1.00 15.00 C ATOM 508 CG ARG A 329 0.923 -2.690 7.170 1.00 15.00 C ATOM 509 CD ARG A 329 0.805 -2.249 8.624 1.00 15.00 C ATOM 510 NE ARG A 329 2.114 -2.058 9.251 1.00 15.00 N ATOM 511 CZ ARG A 329 2.382 -2.350 10.522 1.00 15.00 C ATOM 512 NH1 ARG A 329 1.423 -2.807 11.321 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 3.606 -2.166 10.996 1.00 15.00 N ATOM 0 H ARG A 329 3.519 -3.518 5.987 1.00 15.00 H new ATOM 0 HA ARG A 329 2.762 -4.013 8.673 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.383 -4.410 5.981 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.592 -4.780 7.501 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.646 -2.055 6.658 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.036 -2.548 6.671 1.00 15.00 H new ATOM 0 HD2 ARG A 329 0.240 -1.318 8.675 1.00 15.00 H new ATOM 0 HD3 ARG A 329 0.241 -2.995 9.184 1.00 15.00 H new ATOM 0 HE ARG A 329 2.868 -1.678 8.679 1.00 15.00 H new ATOM 0 HH11 ARG A 329 0.477 -2.935 10.961 1.00 15.00 H new ATOM 0 HH12 ARG A 329 1.633 -3.029 12.294 1.00 15.00 H new ATOM 0 HH21 ARG A 329 4.339 -1.802 10.388 1.00 15.00 H new ATOM 0 HH22 ARG A 329 3.815 -2.389 11.969 1.00 15.00 H new ATOM 645 N PRO B 207 -4.027 -9.407 -6.782 1.00 15.00 N ATOM 646 CA PRO B 207 -3.894 -8.142 -7.507 1.00 15.00 C ATOM 647 C PRO B 207 -4.324 -6.937 -6.673 1.00 15.00 C ATOM 648 O PRO B 207 -5.471 -6.859 -6.226 1.00 15.00 O ATOM 649 CB PRO B 207 -4.846 -8.316 -8.694 1.00 15.00 C ATOM 650 CG PRO B 207 -4.998 -9.791 -8.886 1.00 15.00 C ATOM 651 CD PRO B 207 -4.673 -10.450 -7.570 1.00 15.00 C ATOM 0 HA PRO B 207 -2.858 -7.945 -7.784 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.809 -7.847 -8.494 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.442 -7.845 -9.590 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.014 -10.035 -9.198 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -4.330 -10.147 -9.670 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.574 -10.817 -7.078 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.014 -11.307 -7.709 1.00 15.00 H new ATOM 659 N PRO B 208 -3.402 -5.988 -6.435 1.00 15.00 N ATOM 660 CA PRO B 208 -3.660 -4.836 -5.586 1.00 15.00 C ATOM 661 C PRO B 208 -4.338 -3.680 -6.319 1.00 15.00 C ATOM 662 O PRO B 208 -4.348 -3.628 -7.553 1.00 15.00 O ATOM 663 CB PRO B 208 -2.263 -4.421 -5.103 1.00 15.00 C ATOM 664 CG PRO B 208 -1.270 -5.198 -5.915 1.00 15.00 C ATOM 665 CD PRO B 208 -2.033 -5.963 -6.964 1.00 15.00 C ATOM 0 HA PRO B 208 -4.351 -5.088 -4.782 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.113 -3.349 -5.232 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.143 -4.634 -4.041 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.548 -4.527 -6.381 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.706 -5.880 -5.279 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.986 -5.470 -7.935 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.635 -6.969 -7.097 1.00 15.00 H new ATOM 673 N PRO B 209 -4.910 -2.739 -5.541 1.00 15.00 N ATOM 674 CA PRO B 209 -5.576 -1.545 -6.069 1.00 15.00 C ATOM 675 C PRO B 209 -4.709 -0.774 -7.065 1.00 15.00 C ATOM 676 O PRO B 209 -3.541 -0.495 -6.789 1.00 15.00 O ATOM 677 CB PRO B 209 -5.812 -0.675 -4.829 1.00 15.00 C ATOM 678 CG PRO B 209 -5.718 -1.580 -3.651 1.00 15.00 C ATOM 679 CD PRO B 209 -4.945 -2.795 -4.068 1.00 15.00 C ATOM 0 HA PRO B 209 -6.483 -1.814 -6.610 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -5.069 0.121 -4.767 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.790 -0.196 -4.872 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.221 -1.077 -2.821 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.713 -1.860 -3.304 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -3.939 -2.786 -3.649 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.427 -3.708 -3.719 1.00 15.00 H new ATOM 687 N PRO B 210 -5.279 -0.421 -8.235 1.00 15.00 N ATOM 688 CA PRO B 210 -4.594 0.397 -9.252 1.00 15.00 C ATOM 689 C PRO B 210 -4.031 1.681 -8.646 1.00 15.00 C ATOM 690 O PRO B 210 -4.675 2.297 -7.791 1.00 15.00 O ATOM 691 CB PRO B 210 -5.709 0.713 -10.249 1.00 15.00 C ATOM 692 CG PRO B 210 -6.668 -0.417 -10.108 1.00 15.00 C ATOM 693 CD PRO B 210 -6.639 -0.798 -8.656 1.00 15.00 C ATOM 0 HA PRO B 210 -3.741 -0.112 -9.701 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -6.185 1.667 -10.023 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.324 0.782 -11.266 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.671 -0.120 -10.414 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.378 -1.257 -10.739 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.399 -0.265 -8.085 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.823 -1.863 -8.516 1.00 15.00 H new ATOM 701 N TYR B 211 -2.850 2.098 -9.103 1.00 15.00 N ATOM 702 CA TYR B 211 -2.123 3.179 -8.447 1.00 15.00 C ATOM 703 C TYR B 211 -2.890 4.498 -8.462 1.00 15.00 C ATOM 704 O TYR B 211 -2.910 5.224 -9.459 1.00 15.00 O ATOM 705 CB TYR B 211 -0.735 3.397 -9.048 1.00 15.00 C ATOM 706 CG TYR B 211 0.112 4.343 -8.212 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.391 4.047 -6.881 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.629 5.526 -8.739 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.154 4.892 -6.106 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.396 6.379 -7.957 1.00 15.00 C ATOM 711 CZ TYR B 211 1.652 6.052 -6.643 1.00 15.00 C ATOM 712 OH TYR B 211 2.424 6.881 -5.861 1.00 15.00 O ATOM 0 H TYR B 211 -2.381 1.705 -9.919 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.010 2.856 -7.412 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.225 2.438 -9.137 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.837 3.798 -10.056 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.002 3.137 -6.448 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.430 5.782 -9.769 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.360 4.641 -5.076 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.790 7.293 -8.376 1.00 15.00 H new ATOM 0 HH TYR B 211 3.244 6.413 -5.598 1.00 15.00 H new ATOM 722 N SER B 212 -3.558 4.762 -7.360 1.00 15.00 N ATOM 723 CA SER B 212 -4.108 6.061 -7.059 1.00 15.00 C ATOM 724 C SER B 212 -3.308 6.610 -5.891 1.00 15.00 C ATOM 725 O SER B 212 -2.797 5.817 -5.097 1.00 15.00 O ATOM 726 CB SER B 212 -5.583 5.924 -6.689 1.00 15.00 C ATOM 727 OG SER B 212 -6.256 5.073 -7.604 1.00 15.00 O ATOM 0 H SER B 212 -3.736 4.065 -6.636 1.00 15.00 H new ATOM 0 HA SER B 212 -4.046 6.732 -7.916 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.673 5.524 -5.679 1.00 15.00 H new ATOM 0 HB3 SER B 212 -6.054 6.907 -6.686 1.00 15.00 H new ATOM 0 HG SER B 212 -7.199 4.998 -7.348 1.00 15.00 H new ATOM 733 N ARG B 213 -3.162 7.925 -5.777 1.00 15.00 N ATOM 734 CA ARG B 213 -2.386 8.468 -4.671 1.00 15.00 C ATOM 735 C ARG B 213 -3.025 8.027 -3.368 1.00 15.00 C ATOM 736 O ARG B 213 -2.393 7.390 -2.530 1.00 15.00 O ATOM 737 CB ARG B 213 -2.341 10.001 -4.665 1.00 15.00 C ATOM 738 CG ARG B 213 -1.884 10.655 -5.940 1.00 15.00 C ATOM 739 CD ARG B 213 -1.649 12.145 -5.745 1.00 15.00 C ATOM 740 NE ARG B 213 -2.868 12.851 -5.345 1.00 15.00 N ATOM 741 CZ ARG B 213 -2.876 13.960 -4.600 1.00 15.00 C ATOM 742 NH1 ARG B 213 -1.737 14.471 -4.151 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -4.025 14.552 -4.295 1.00 15.00 N ATOM 0 H ARG B 213 -3.557 8.616 -6.415 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.367 8.098 -4.785 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -3.338 10.372 -4.427 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.681 10.322 -3.859 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -0.964 10.182 -6.284 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -2.632 10.502 -6.718 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.880 12.293 -4.987 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -1.270 12.575 -6.672 1.00 15.00 H new ATOM 0 HE ARG B 213 -3.764 12.474 -5.653 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -0.851 14.017 -4.374 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -1.747 15.318 -3.583 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -4.905 14.160 -4.630 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -4.027 15.399 -3.726 1.00 15.00 H new ATOM 757 N TYR B 214 -4.276 8.413 -3.195 1.00 15.00 N ATOM 758 CA TYR B 214 -5.049 8.024 -2.035 1.00 15.00 C ATOM 759 C TYR B 214 -6.282 7.258 -2.491 1.00 15.00 C ATOM 760 O TYR B 214 -7.367 7.825 -2.640 1.00 15.00 O ATOM 761 CB TYR B 214 -5.395 9.271 -1.204 1.00 15.00 C ATOM 762 CG TYR B 214 -4.196 10.186 -1.039 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.746 10.958 -2.106 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.479 10.229 0.146 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.621 11.739 -2.004 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.353 11.024 0.263 1.00 15.00 C ATOM 767 CZ TYR B 214 -1.926 11.772 -0.815 1.00 15.00 C ATOM 768 OH TYR B 214 -0.786 12.536 -0.700 1.00 15.00 O ATOM 0 H TYR B 214 -4.782 9.004 -3.855 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.472 7.361 -1.390 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.205 9.817 -1.687 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.757 8.965 -0.222 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.295 10.943 -3.036 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.803 9.635 0.988 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.284 12.322 -2.848 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -1.810 11.059 1.196 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.018 11.953 -0.527 1.00 15.00 H new ATOM 778 N PRO B 215 -6.091 5.971 -2.797 1.00 15.00 N ATOM 779 CA PRO B 215 -7.148 5.108 -3.326 1.00 15.00 C ATOM 780 C PRO B 215 -8.186 4.764 -2.269 1.00 15.00 C ATOM 781 O PRO B 215 -7.883 4.099 -1.290 1.00 15.00 O ATOM 782 CB PRO B 215 -6.388 3.854 -3.773 1.00 15.00 C ATOM 783 CG PRO B 215 -5.145 3.836 -2.943 1.00 15.00 C ATOM 784 CD PRO B 215 -4.810 5.261 -2.647 1.00 15.00 C ATOM 0 HA PRO B 215 -7.710 5.585 -4.129 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.982 2.955 -3.612 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.152 3.894 -4.836 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.302 3.275 -2.022 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.329 3.349 -3.477 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.407 5.375 -1.641 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.058 5.645 -3.337 1.00 15.00 H new