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 318 HIS : +bothHN:sc= -2.05! C(o=-3.3!,f=-20!) USER MOD Set 1.2: B 211 TYR OH : rot -150:sc= -1.41! USER MOD Set 1.3: B 214 TYR OH : rot -123:sc= 0.144 USER MOD Set 2.1: A 320 ASN : amide:sc= -0.262 K(o=0.66,f=-0.61) USER MOD Set 2.2: A 322 THR OG1 : rot 144:sc= 0.923 USER MOD Set 3.1: A 308 THR OG1 : rot 39:sc= 0.0882 USER MOD Set 3.2: A 310 THR OG1 : rot 41:sc= 0.181 USER MOD Single : A 307 ASN : amide:sc= -0.534 K(o=-0.53,f=-5!) USER MOD Single : A 314 TYR OH : rot -167:sc= 1.2 USER MOD Single : A 319 ASN : amide:sc= 0.00202 X(o=0.002,f=0) USER MOD Single : A 323 THR OG1 : rot 176:sc= -1.79! USER MOD Single : A 324 GLN : amide:sc= 0.612 K(o=0.61,f=0) 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 5.293 5.213 10.166 1.00 15.00 N ATOM 25 CA LEU A 299 5.221 5.375 8.725 1.00 15.00 C ATOM 26 C LEU A 299 6.332 6.297 8.241 1.00 15.00 C ATOM 27 O LEU A 299 6.495 7.403 8.761 1.00 15.00 O ATOM 28 CB LEU A 299 3.860 5.961 8.332 1.00 15.00 C ATOM 29 CG LEU A 299 3.609 6.086 6.826 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.472 4.710 6.192 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.370 6.924 6.557 1.00 15.00 C ATOM 0 HA LEU A 299 5.342 4.397 8.258 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.077 5.338 8.763 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.765 6.949 8.782 1.00 15.00 H new ATOM 0 HG LEU A 299 4.466 6.588 6.376 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.294 4.818 5.122 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.389 4.143 6.352 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.635 4.181 6.647 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.209 7.001 5.482 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.504 6.452 7.021 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.507 7.921 6.975 1.00 15.00 H new ATOM 43 N PRO A 300 7.125 5.858 7.255 1.00 15.00 N ATOM 44 CA PRO A 300 8.149 6.701 6.637 1.00 15.00 C ATOM 45 C PRO A 300 7.511 7.790 5.773 1.00 15.00 C ATOM 46 O PRO A 300 6.581 7.513 5.020 1.00 15.00 O ATOM 47 CB PRO A 300 8.952 5.720 5.765 1.00 15.00 C ATOM 48 CG PRO A 300 8.509 4.356 6.182 1.00 15.00 C ATOM 49 CD PRO A 300 7.096 4.518 6.650 1.00 15.00 C ATOM 0 HA PRO A 300 8.765 7.220 7.371 1.00 15.00 H new ATOM 0 HB2 PRO A 300 8.758 5.888 4.706 1.00 15.00 H new ATOM 0 HB3 PRO A 300 10.024 5.847 5.917 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.569 3.653 5.351 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.143 3.964 6.977 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.384 4.458 5.827 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.815 3.751 7.371 1.00 15.00 H new ATOM 57 N PRO A 301 8.010 9.038 5.860 1.00 15.00 N ATOM 58 CA PRO A 301 7.438 10.187 5.131 1.00 15.00 C ATOM 59 C PRO A 301 7.507 10.043 3.606 1.00 15.00 C ATOM 60 O PRO A 301 6.952 10.859 2.870 1.00 15.00 O ATOM 61 CB PRO A 301 8.296 11.373 5.592 1.00 15.00 C ATOM 62 CG PRO A 301 8.945 10.916 6.853 1.00 15.00 C ATOM 63 CD PRO A 301 9.153 9.438 6.692 1.00 15.00 C ATOM 0 HA PRO A 301 6.375 10.294 5.346 1.00 15.00 H new ATOM 0 HB2 PRO A 301 9.039 11.638 4.840 1.00 15.00 H new ATOM 0 HB3 PRO A 301 7.685 12.259 5.762 1.00 15.00 H new ATOM 0 HG2 PRO A 301 9.893 11.429 7.013 1.00 15.00 H new ATOM 0 HG3 PRO A 301 8.316 11.131 7.717 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.104 9.214 6.208 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.154 8.923 7.652 1.00 15.00 H new ATOM 71 N GLY A 302 8.219 9.028 3.143 1.00 15.00 N ATOM 72 CA GLY A 302 8.279 8.736 1.724 1.00 15.00 C ATOM 73 C GLY A 302 7.247 7.702 1.315 1.00 15.00 C ATOM 74 O GLY A 302 6.969 7.517 0.129 1.00 15.00 O ATOM 0 H GLY A 302 8.762 8.395 3.730 1.00 15.00 H new ATOM 0 HA2 GLY A 302 8.118 9.653 1.158 1.00 15.00 H new ATOM 0 HA3 GLY A 302 9.275 8.375 1.470 1.00 15.00 H new ATOM 78 N TRP A 303 6.694 7.027 2.310 1.00 15.00 N ATOM 79 CA TRP A 303 5.766 5.927 2.100 1.00 15.00 C ATOM 80 C TRP A 303 4.326 6.363 2.304 1.00 15.00 C ATOM 81 O TRP A 303 4.049 7.249 3.113 1.00 15.00 O ATOM 82 CB TRP A 303 6.071 4.799 3.066 1.00 15.00 C ATOM 83 CG TRP A 303 7.119 3.875 2.568 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.471 4.038 2.645 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.896 2.630 1.914 1.00 15.00 C ATOM 86 NE1 TRP A 303 9.101 2.961 2.084 1.00 15.00 N ATOM 87 CE2 TRP A 303 8.150 2.085 1.630 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.756 1.914 1.542 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.291 0.868 0.999 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.910 0.699 0.918 1.00 15.00 C ATOM 91 CH2 TRP A 303 7.170 0.189 0.653 1.00 15.00 C ATOM 0 H TRP A 303 6.878 7.228 3.293 1.00 15.00 H new ATOM 0 HA TRP A 303 5.889 5.590 1.071 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.390 5.221 4.019 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.158 4.235 3.257 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.970 4.890 3.083 1.00 15.00 H new ATOM 0 HE1 TRP A 303 10.110 2.832 2.015 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.770 2.308 1.741 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.270 0.465 0.786 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 5.036 0.134 0.630 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.261 -0.768 0.161 1.00 15.00 H new ATOM 102 N GLU A 304 3.408 5.718 1.596 1.00 15.00 N ATOM 103 CA GLU A 304 1.986 6.043 1.742 1.00 15.00 C ATOM 104 C GLU A 304 1.182 4.783 2.063 1.00 15.00 C ATOM 105 O GLU A 304 1.203 3.822 1.310 1.00 15.00 O ATOM 106 CB GLU A 304 1.485 6.727 0.467 1.00 15.00 C ATOM 107 CG GLU A 304 1.984 8.154 0.320 1.00 15.00 C ATOM 108 CD GLU A 304 1.117 9.171 1.041 1.00 15.00 C ATOM 109 OE1 GLU A 304 0.939 9.051 2.270 1.00 15.00 O ATOM 110 OE2 GLU A 304 0.620 10.108 0.372 1.00 15.00 O1- ATOM 0 H GLU A 304 3.612 4.978 0.924 1.00 15.00 H new ATOM 0 HA GLU A 304 1.851 6.734 2.574 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.803 6.146 -0.399 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.395 6.728 0.467 1.00 15.00 H new ATOM 0 HG2 GLU A 304 3.002 8.217 0.705 1.00 15.00 H new ATOM 0 HG3 GLU A 304 2.027 8.409 -0.739 1.00 15.00 H new ATOM 117 N ILE A 305 0.475 4.781 3.186 1.00 15.00 N ATOM 118 CA ILE A 305 -0.199 3.569 3.649 1.00 15.00 C ATOM 119 C ILE A 305 -1.724 3.670 3.545 1.00 15.00 C ATOM 120 O ILE A 305 -2.330 4.635 4.019 1.00 15.00 O ATOM 121 CB ILE A 305 0.192 3.230 5.110 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.524 1.956 5.578 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.124 4.393 6.044 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.161 1.535 6.986 1.00 15.00 C ATOM 0 H ILE A 305 0.352 5.594 3.789 1.00 15.00 H new ATOM 0 HA ILE A 305 0.135 2.769 2.989 1.00 15.00 H new ATOM 0 HB ILE A 305 1.267 3.054 5.139 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.601 2.114 5.522 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.285 1.143 4.892 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.160 4.129 7.063 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.434 5.275 5.729 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.192 4.608 6.009 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.706 0.628 7.246 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.911 1.344 7.044 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.426 2.330 7.683 1.00 15.00 H new ATOM 136 N ARG A 306 -2.342 2.674 2.910 1.00 15.00 N ATOM 137 CA ARG A 306 -3.794 2.554 2.895 1.00 15.00 C ATOM 138 C ARG A 306 -4.191 1.086 2.990 1.00 15.00 C ATOM 139 O ARG A 306 -3.454 0.207 2.537 1.00 15.00 O ATOM 140 CB ARG A 306 -4.411 3.193 1.646 1.00 15.00 C ATOM 141 CG ARG A 306 -4.131 4.682 1.516 1.00 15.00 C ATOM 142 CD ARG A 306 -5.254 5.403 0.793 1.00 15.00 C ATOM 143 NE ARG A 306 -6.494 5.386 1.571 1.00 15.00 N ATOM 144 CZ ARG A 306 -7.309 6.431 1.708 1.00 15.00 C ATOM 145 NH1 ARG A 306 -7.019 7.582 1.116 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.408 6.322 2.445 1.00 15.00 N ATOM 0 H ARG A 306 -1.855 1.938 2.399 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.182 3.094 3.759 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.029 2.683 0.762 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.489 3.036 1.664 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -3.999 5.115 2.507 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.196 4.831 0.976 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -4.960 6.434 0.599 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -5.425 4.933 -0.175 1.00 15.00 H new ATOM 0 HE ARG A 306 -6.751 4.517 2.039 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -6.171 7.668 0.555 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -7.644 8.381 1.222 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -8.628 5.439 2.906 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -9.033 7.121 2.551 1.00 15.00 H new ATOM 160 N ASN A 307 -5.346 0.824 3.583 1.00 15.00 N ATOM 161 CA ASN A 307 -5.805 -0.542 3.806 1.00 15.00 C ATOM 162 C ASN A 307 -7.181 -0.755 3.152 1.00 15.00 C ATOM 163 O ASN A 307 -8.105 0.028 3.388 1.00 15.00 O ATOM 164 CB ASN A 307 -5.901 -0.812 5.315 1.00 15.00 C ATOM 165 CG ASN A 307 -6.084 -2.283 5.659 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.605 -3.071 4.873 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.663 -2.663 6.857 1.00 15.00 N ATOM 0 H ASN A 307 -5.987 1.542 3.921 1.00 15.00 H new ATOM 0 HA ASN A 307 -5.092 -1.233 3.357 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -4.997 -0.444 5.800 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.737 -0.245 5.725 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.767 -3.634 7.150 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.235 -1.984 7.486 1.00 15.00 H new ATOM 174 N THR A 308 -7.334 -1.818 2.358 1.00 15.00 N ATOM 175 CA THR A 308 -8.616 -2.120 1.735 1.00 15.00 C ATOM 176 C THR A 308 -9.445 -3.021 2.648 1.00 15.00 C ATOM 177 O THR A 308 -8.907 -3.934 3.280 1.00 15.00 O ATOM 178 CB THR A 308 -8.441 -2.811 0.362 1.00 15.00 C ATOM 179 OG1 THR A 308 -7.248 -3.612 0.352 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.404 -1.801 -0.780 1.00 15.00 C ATOM 0 H THR A 308 -6.588 -2.477 2.135 1.00 15.00 H new ATOM 0 HA THR A 308 -9.131 -1.172 1.577 1.00 15.00 H new ATOM 0 HB THR A 308 -9.307 -3.455 0.208 1.00 15.00 H new ATOM 0 HG1 THR A 308 -7.149 -4.062 1.217 1.00 15.00 H new ATOM 0 HG21 THR A 308 -8.280 -2.327 -1.727 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.337 -1.237 -0.797 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.569 -1.116 -0.633 1.00 15.00 H new ATOM 188 N ALA A 309 -10.753 -2.770 2.690 1.00 15.00 N ATOM 189 CA ALA A 309 -11.672 -3.477 3.586 1.00 15.00 C ATOM 190 C ALA A 309 -11.690 -4.982 3.319 1.00 15.00 C ATOM 191 O ALA A 309 -12.183 -5.761 4.135 1.00 15.00 O ATOM 192 CB ALA A 309 -13.073 -2.901 3.458 1.00 15.00 C ATOM 0 H ALA A 309 -11.207 -2.070 2.104 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.313 -3.333 4.605 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.748 -3.434 4.128 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -13.057 -1.844 3.723 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.420 -3.012 2.431 1.00 15.00 H new ATOM 198 N THR A 310 -11.153 -5.379 2.174 1.00 15.00 N ATOM 199 CA THR A 310 -10.989 -6.788 1.843 1.00 15.00 C ATOM 200 C THR A 310 -10.016 -7.480 2.805 1.00 15.00 C ATOM 201 O THR A 310 -9.951 -8.709 2.864 1.00 15.00 O ATOM 202 CB THR A 310 -10.502 -6.951 0.391 1.00 15.00 C ATOM 203 OG1 THR A 310 -9.625 -5.865 0.047 1.00 15.00 O ATOM 204 CG2 THR A 310 -11.678 -6.988 -0.572 1.00 15.00 C ATOM 0 H THR A 310 -10.821 -4.739 1.453 1.00 15.00 H new ATOM 0 HA THR A 310 -11.964 -7.265 1.945 1.00 15.00 H new ATOM 0 HB THR A 310 -9.961 -7.894 0.312 1.00 15.00 H new ATOM 0 HG1 THR A 310 -9.028 -5.675 0.801 1.00 15.00 H new ATOM 0 HG21 THR A 310 -11.310 -7.104 -1.591 1.00 15.00 H new ATOM 0 HG22 THR A 310 -12.326 -7.828 -0.323 1.00 15.00 H new ATOM 0 HG23 THR A 310 -12.242 -6.059 -0.493 1.00 15.00 H new ATOM 212 N GLY A 311 -9.260 -6.681 3.554 1.00 15.00 N ATOM 213 CA GLY A 311 -8.344 -7.226 4.537 1.00 15.00 C ATOM 214 C GLY A 311 -6.929 -7.361 4.010 1.00 15.00 C ATOM 215 O GLY A 311 -6.228 -8.320 4.335 1.00 15.00 O ATOM 0 H GLY A 311 -9.267 -5.663 3.496 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.339 -6.584 5.418 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.702 -8.204 4.858 1.00 15.00 H new ATOM 219 N ARG A 312 -6.501 -6.395 3.207 1.00 15.00 N ATOM 220 CA ARG A 312 -5.170 -6.422 2.612 1.00 15.00 C ATOM 221 C ARG A 312 -4.561 -5.027 2.670 1.00 15.00 C ATOM 222 O ARG A 312 -5.263 -4.038 2.429 1.00 15.00 O ATOM 223 CB ARG A 312 -5.238 -6.858 1.150 1.00 15.00 C ATOM 224 CG ARG A 312 -6.063 -8.098 0.874 1.00 15.00 C ATOM 225 CD ARG A 312 -6.296 -8.239 -0.619 1.00 15.00 C ATOM 226 NE ARG A 312 -7.213 -7.215 -1.127 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.384 -6.938 -2.422 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.787 -7.676 -3.352 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -8.178 -5.936 -2.783 1.00 15.00 N ATOM 0 H ARG A 312 -7.059 -5.580 2.952 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.560 -7.132 3.171 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -5.645 -6.035 0.563 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -4.223 -7.032 0.794 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.549 -8.980 1.256 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.018 -8.034 1.396 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.343 -8.166 -1.144 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.702 -9.228 -0.831 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.755 -6.680 -0.448 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -6.194 -8.459 -3.078 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.922 -7.459 -4.339 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.655 -5.381 -2.072 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.311 -5.721 -3.771 1.00 15.00 H new ATOM 243 N VAL A 313 -3.263 -4.937 2.942 1.00 15.00 N ATOM 244 CA VAL A 313 -2.608 -3.641 3.037 1.00 15.00 C ATOM 245 C VAL A 313 -1.645 -3.420 1.859 1.00 15.00 C ATOM 246 O VAL A 313 -0.869 -4.296 1.500 1.00 15.00 O ATOM 247 CB VAL A 313 -1.847 -3.468 4.367 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.528 -1.998 4.602 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.650 -4.037 5.528 1.00 15.00 C ATOM 0 H VAL A 313 -2.651 -5.738 3.099 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.399 -2.892 3.000 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.910 -4.022 4.304 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -0.991 -1.888 5.544 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -0.909 -1.625 3.786 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.455 -1.427 4.645 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.093 -3.904 6.455 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.605 -3.516 5.600 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.828 -5.099 5.361 1.00 15.00 H new ATOM 259 N TYR A 314 -1.699 -2.223 1.301 1.00 15.00 N ATOM 260 CA TYR A 314 -1.016 -1.848 0.092 1.00 15.00 C ATOM 261 C TYR A 314 -0.449 -0.446 0.292 1.00 15.00 C ATOM 262 O TYR A 314 -1.186 0.516 0.513 1.00 15.00 O ATOM 263 CB TYR A 314 -1.989 -1.871 -1.105 1.00 15.00 C ATOM 264 CG TYR A 314 -3.228 -1.018 -0.896 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.240 -1.446 -0.050 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.370 0.226 -1.511 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.350 -0.669 0.184 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.487 1.009 -1.283 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.473 0.555 -0.431 1.00 15.00 C ATOM 270 OH TYR A 314 -6.581 1.331 -0.182 1.00 15.00 O ATOM 0 H TYR A 314 -2.245 -1.460 1.701 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.212 -2.553 -0.122 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.465 -1.524 -1.996 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.294 -2.900 -1.295 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.155 -2.408 0.434 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.596 0.583 -2.175 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.125 -1.020 0.850 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.587 1.969 -1.768 1.00 15.00 H new ATOM 0 HH TYR A 314 -6.628 2.055 -0.840 1.00 15.00 H new ATOM 280 N PHE A 315 0.853 -0.342 0.287 1.00 15.00 N ATOM 281 CA PHE A 315 1.500 0.941 0.454 1.00 15.00 C ATOM 282 C PHE A 315 1.852 1.507 -0.899 1.00 15.00 C ATOM 283 O PHE A 315 2.602 0.901 -1.645 1.00 15.00 O ATOM 284 CB PHE A 315 2.777 0.806 1.273 1.00 15.00 C ATOM 285 CG PHE A 315 2.595 0.363 2.692 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.939 -0.816 2.986 1.00 15.00 C ATOM 287 CD2 PHE A 315 3.113 1.118 3.731 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.795 -1.234 4.287 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.980 0.699 5.038 1.00 15.00 C ATOM 290 CZ PHE A 315 2.319 -0.480 5.314 1.00 15.00 C ATOM 0 H PHE A 315 1.491 -1.129 0.169 1.00 15.00 H new ATOM 0 HA PHE A 315 0.811 1.603 0.978 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.435 0.096 0.772 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.289 1.768 1.275 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.535 -1.416 2.184 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.626 2.044 3.516 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.271 -2.153 4.504 1.00 15.00 H new ATOM 0 HE2 PHE A 315 3.391 1.291 5.842 1.00 15.00 H new ATOM 0 HZ PHE A 315 2.212 -0.812 6.336 1.00 15.00 H new ATOM 300 N VAL A 316 1.347 2.667 -1.220 1.00 15.00 N ATOM 301 CA VAL A 316 1.679 3.255 -2.484 1.00 15.00 C ATOM 302 C VAL A 316 2.935 4.116 -2.328 1.00 15.00 C ATOM 303 O VAL A 316 2.998 4.994 -1.459 1.00 15.00 O ATOM 304 CB VAL A 316 0.510 4.071 -3.088 1.00 15.00 C ATOM 305 CG1 VAL A 316 -0.591 3.135 -3.560 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.061 5.063 -2.095 1.00 15.00 C ATOM 0 H VAL A 316 0.716 3.214 -0.634 1.00 15.00 H new ATOM 0 HA VAL A 316 1.876 2.448 -3.190 1.00 15.00 H new ATOM 0 HB VAL A 316 0.908 4.632 -3.933 1.00 15.00 H new ATOM 0 HG11 VAL A 316 -1.408 3.719 -3.983 1.00 15.00 H new ATOM 0 HG12 VAL A 316 -0.195 2.461 -4.320 1.00 15.00 H new ATOM 0 HG13 VAL A 316 -0.960 2.553 -2.716 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -0.878 5.614 -2.560 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.434 4.529 -1.221 1.00 15.00 H new ATOM 0 HG23 VAL A 316 0.718 5.761 -1.788 1.00 15.00 H new ATOM 316 N ASP A 317 3.972 3.820 -3.110 1.00 15.00 N ATOM 317 CA ASP A 317 5.184 4.599 -3.066 1.00 15.00 C ATOM 318 C ASP A 317 5.057 5.719 -4.070 1.00 15.00 C ATOM 319 O ASP A 317 4.947 5.455 -5.269 1.00 15.00 O ATOM 320 CB ASP A 317 6.423 3.762 -3.425 1.00 15.00 C ATOM 321 CG ASP A 317 6.323 2.305 -3.038 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.854 1.498 -3.866 1.00 15.00 O1- ATOM 323 OD2 ASP A 317 6.761 1.964 -1.922 1.00 15.00 O ATOM 0 H ASP A 317 3.987 3.047 -3.776 1.00 15.00 H new ATOM 0 HA ASP A 317 5.314 4.974 -2.051 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.594 3.829 -4.499 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.295 4.197 -2.936 1.00 15.00 H new ATOM 328 N HIS A 318 5.056 6.962 -3.593 1.00 15.00 N ATOM 329 CA HIS A 318 5.013 8.114 -4.490 1.00 15.00 C ATOM 330 C HIS A 318 6.330 8.231 -5.246 1.00 15.00 C ATOM 331 O HIS A 318 6.437 8.961 -6.230 1.00 15.00 O ATOM 332 CB HIS A 318 4.734 9.419 -3.730 1.00 15.00 C ATOM 333 CG HIS A 318 3.342 9.548 -3.171 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.267 8.789 -3.590 1.00 15.00 N ATOM 335 CD2 HIS A 318 2.858 10.369 -2.208 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.192 9.141 -2.910 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.519 10.096 -2.062 1.00 15.00 N ATOM 0 H HIS A 318 5.084 7.196 -2.601 1.00 15.00 H new ATOM 0 HA HIS A 318 4.195 7.956 -5.193 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.447 9.503 -2.910 1.00 15.00 H new ATOM 0 HB3 HIS A 318 4.919 10.258 -4.401 1.00 15.00 H new ATOM 0 HD1 HIS A 318 2.299 8.069 -4.312 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.423 11.105 -1.655 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.206 8.716 -3.029 1.00 15.00 H new ATOM 0 HE2 HIS A 318 0.885 10.555 -1.408 1.00 15.00 H new ATOM 346 N ASN A 319 7.338 7.514 -4.759 1.00 15.00 N ATOM 347 CA ASN A 319 8.651 7.513 -5.384 1.00 15.00 C ATOM 348 C ASN A 319 8.651 6.621 -6.616 1.00 15.00 C ATOM 349 O ASN A 319 9.245 6.953 -7.639 1.00 15.00 O ATOM 350 CB ASN A 319 9.728 7.021 -4.408 1.00 15.00 C ATOM 351 CG ASN A 319 9.626 7.666 -3.041 1.00 15.00 C ATOM 352 OD1 ASN A 319 10.131 8.765 -2.821 1.00 15.00 O ATOM 353 ND2 ASN A 319 9.011 6.964 -2.097 1.00 15.00 N ATOM 0 H ASN A 319 7.267 6.925 -3.930 1.00 15.00 H new ATOM 0 HA ASN A 319 8.879 8.539 -5.674 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.646 5.939 -4.300 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.713 7.226 -4.828 1.00 15.00 H new ATOM 0 HD21 ASN A 319 8.945 7.333 -1.148 1.00 15.00 H new ATOM 0 HD22 ASN A 319 8.605 6.055 -2.320 1.00 15.00 H new ATOM 360 N ASN A 320 8.001 5.471 -6.497 1.00 15.00 N ATOM 361 CA ASN A 320 7.978 4.496 -7.580 1.00 15.00 C ATOM 362 C ASN A 320 6.657 4.542 -8.357 1.00 15.00 C ATOM 363 O ASN A 320 6.559 3.986 -9.449 1.00 15.00 O ATOM 364 CB ASN A 320 8.214 3.086 -7.024 1.00 15.00 C ATOM 365 CG ASN A 320 8.429 2.049 -8.115 1.00 15.00 C ATOM 366 OD1 ASN A 320 8.015 0.897 -7.983 1.00 15.00 O ATOM 367 ND2 ASN A 320 9.094 2.445 -9.191 1.00 15.00 N ATOM 0 H ASN A 320 7.484 5.191 -5.664 1.00 15.00 H new ATOM 0 HA ASN A 320 8.779 4.751 -8.273 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.084 3.101 -6.367 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.359 2.793 -6.415 1.00 15.00 H new ATOM 0 HD21 ASN A 320 9.279 1.786 -9.947 1.00 15.00 H new ATOM 0 HD22 ASN A 320 9.421 3.409 -9.263 1.00 15.00 H new ATOM 374 N ARG A 321 5.647 5.197 -7.780 1.00 15.00 N ATOM 375 CA ARG A 321 4.311 5.262 -8.371 1.00 15.00 C ATOM 376 C ARG A 321 3.687 3.869 -8.452 1.00 15.00 C ATOM 377 O ARG A 321 2.949 3.556 -9.387 1.00 15.00 O ATOM 378 CB ARG A 321 4.356 5.925 -9.754 1.00 15.00 C ATOM 379 CG ARG A 321 4.577 7.431 -9.696 1.00 15.00 C ATOM 380 CD ARG A 321 4.723 8.033 -11.084 1.00 15.00 C ATOM 381 NE ARG A 321 4.635 9.494 -11.064 1.00 15.00 N ATOM 382 CZ ARG A 321 5.652 10.314 -11.334 1.00 15.00 C ATOM 383 NH1 ARG A 321 6.858 9.827 -11.590 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 5.458 11.630 -11.340 1.00 15.00 N ATOM 0 H ARG A 321 5.733 5.695 -6.894 1.00 15.00 H new ATOM 0 HA ARG A 321 3.684 5.877 -7.725 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.154 5.470 -10.341 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.421 5.722 -10.277 1.00 15.00 H new ATOM 0 HG2 ARG A 321 3.739 7.902 -9.182 1.00 15.00 H new ATOM 0 HG3 ARG A 321 5.471 7.645 -9.111 1.00 15.00 H new ATOM 0 HD2 ARG A 321 5.681 7.734 -11.509 1.00 15.00 H new ATOM 0 HD3 ARG A 321 3.946 7.633 -11.736 1.00 15.00 H new ATOM 0 HE ARG A 321 3.736 9.913 -10.828 1.00 15.00 H new ATOM 0 HH11 ARG A 321 7.013 8.819 -11.581 1.00 15.00 H new ATOM 0 HH12 ARG A 321 7.631 10.460 -11.796 1.00 15.00 H new ATOM 0 HH21 ARG A 321 4.533 12.010 -11.138 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.234 12.259 -11.546 1.00 15.00 H new ATOM 398 N THR A 322 3.947 3.061 -7.431 1.00 15.00 N ATOM 399 CA THR A 322 3.458 1.683 -7.393 1.00 15.00 C ATOM 400 C THR A 322 2.768 1.383 -6.056 1.00 15.00 C ATOM 401 O THR A 322 3.106 1.986 -5.039 1.00 15.00 O ATOM 402 CB THR A 322 4.620 0.689 -7.621 1.00 15.00 C ATOM 403 OG1 THR A 322 5.351 1.057 -8.798 1.00 15.00 O ATOM 404 CG2 THR A 322 4.112 -0.737 -7.779 1.00 15.00 C ATOM 0 H THR A 322 4.495 3.335 -6.615 1.00 15.00 H new ATOM 0 HA THR A 322 2.728 1.564 -8.194 1.00 15.00 H new ATOM 0 HB THR A 322 5.268 0.731 -6.746 1.00 15.00 H new ATOM 0 HG1 THR A 322 6.305 0.879 -8.660 1.00 15.00 H new ATOM 0 HG21 THR A 322 4.956 -1.408 -7.938 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.576 -1.034 -6.878 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.440 -0.791 -8.635 1.00 15.00 H new ATOM 412 N THR A 323 1.783 0.480 -6.061 1.00 15.00 N ATOM 413 CA THR A 323 1.144 0.050 -4.821 1.00 15.00 C ATOM 414 C THR A 323 1.792 -1.239 -4.309 1.00 15.00 C ATOM 415 O THR A 323 2.277 -2.056 -5.097 1.00 15.00 O ATOM 416 CB THR A 323 -0.386 -0.134 -4.977 1.00 15.00 C ATOM 417 OG1 THR A 323 -0.981 -0.388 -3.702 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.725 -1.273 -5.920 1.00 15.00 C ATOM 0 H THR A 323 1.416 0.038 -6.904 1.00 15.00 H new ATOM 0 HA THR A 323 1.295 0.843 -4.088 1.00 15.00 H new ATOM 0 HB THR A 323 -0.783 0.789 -5.400 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.954 -0.444 -3.801 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.808 -1.368 -6.001 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.304 -1.068 -6.904 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.307 -2.202 -5.533 1.00 15.00 H new ATOM 426 N GLN A 324 1.817 -1.406 -2.992 1.00 15.00 N ATOM 427 CA GLN A 324 2.568 -2.487 -2.366 1.00 15.00 C ATOM 428 C GLN A 324 1.711 -3.319 -1.419 1.00 15.00 C ATOM 429 O GLN A 324 1.586 -2.984 -0.247 1.00 15.00 O ATOM 430 CB GLN A 324 3.764 -1.928 -1.569 1.00 15.00 C ATOM 431 CG GLN A 324 4.777 -1.162 -2.397 1.00 15.00 C ATOM 432 CD GLN A 324 5.554 -2.055 -3.347 1.00 15.00 C ATOM 433 OE1 GLN A 324 6.628 -2.547 -3.005 1.00 15.00 O ATOM 434 NE2 GLN A 324 5.015 -2.293 -4.534 1.00 15.00 N ATOM 0 H GLN A 324 1.323 -0.803 -2.334 1.00 15.00 H new ATOM 0 HA GLN A 324 2.914 -3.127 -3.178 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.386 -1.272 -0.785 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.272 -2.756 -1.074 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.263 -0.390 -2.970 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.474 -0.654 -1.731 1.00 15.00 H new ATOM 0 HE21 GLN A 324 4.122 -1.867 -4.783 1.00 15.00 H new ATOM 0 HE22 GLN A 324 5.493 -2.902 -5.198 1.00 15.00 H new ATOM 443 N PHE A 325 1.115 -4.396 -1.928 1.00 15.00 N ATOM 444 CA PHE A 325 0.593 -5.462 -1.058 1.00 15.00 C ATOM 445 C PHE A 325 1.759 -6.153 -0.404 1.00 15.00 C ATOM 446 O PHE A 325 1.622 -7.016 0.459 1.00 15.00 O ATOM 447 CB PHE A 325 -0.272 -6.469 -1.806 1.00 15.00 C ATOM 448 CG PHE A 325 -1.713 -6.092 -1.766 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.238 -5.463 -0.647 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.541 -6.345 -2.838 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.565 -5.091 -0.620 1.00 15.00 C ATOM 452 CE2 PHE A 325 -3.870 -5.982 -2.808 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.381 -5.349 -1.700 1.00 15.00 C ATOM 0 H PHE A 325 0.980 -4.558 -2.926 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.056 -5.005 -0.310 1.00 15.00 H new ATOM 0 HB2 PHE A 325 0.059 -6.534 -2.843 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.142 -7.458 -1.367 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.605 -5.264 0.205 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.143 -6.835 -3.714 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -3.967 -4.595 0.251 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.508 -6.194 -3.653 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.420 -5.055 -1.676 1.00 15.00 H new ATOM 463 N THR A 326 2.905 -5.783 -0.902 1.00 15.00 N ATOM 464 CA THR A 326 4.163 -6.249 -0.378 1.00 15.00 C ATOM 465 C THR A 326 4.545 -5.252 0.696 1.00 15.00 C ATOM 466 O THR A 326 5.193 -4.239 0.426 1.00 15.00 O ATOM 467 CB THR A 326 5.249 -6.297 -1.470 1.00 15.00 C ATOM 468 OG1 THR A 326 4.728 -6.943 -2.641 1.00 15.00 O ATOM 469 CG2 THR A 326 6.482 -7.044 -0.978 1.00 15.00 C ATOM 0 H THR A 326 2.996 -5.143 -1.691 1.00 15.00 H new ATOM 0 HA THR A 326 4.074 -7.264 0.010 1.00 15.00 H new ATOM 0 HB THR A 326 5.539 -5.275 -1.713 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.420 -6.971 -3.334 1.00 15.00 H new ATOM 0 HG21 THR A 326 7.234 -7.064 -1.767 1.00 15.00 H new ATOM 0 HG22 THR A 326 6.888 -6.538 -0.102 1.00 15.00 H new ATOM 0 HG23 THR A 326 6.207 -8.065 -0.713 1.00 15.00 H new ATOM 477 N ASP A 327 4.107 -5.521 1.904 1.00 15.00 N ATOM 478 CA ASP A 327 4.012 -4.498 2.907 1.00 15.00 C ATOM 479 C ASP A 327 4.877 -4.732 4.092 1.00 15.00 C ATOM 480 O ASP A 327 5.185 -5.859 4.484 1.00 15.00 O ATOM 481 CB ASP A 327 2.588 -4.280 3.381 1.00 15.00 C ATOM 482 CG ASP A 327 1.811 -5.558 3.642 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.438 -6.632 3.748 1.00 15.00 O ATOM 484 OD2 ASP A 327 0.578 -5.475 3.801 1.00 15.00 O1- ATOM 0 H ASP A 327 3.810 -6.447 2.213 1.00 15.00 H new ATOM 0 HA ASP A 327 4.370 -3.602 2.399 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.609 -3.689 4.296 1.00 15.00 H new ATOM 0 HB3 ASP A 327 2.055 -3.692 2.634 1.00 15.00 H new ATOM 489 N PRO A 328 5.264 -3.617 4.675 1.00 15.00 N ATOM 490 CA PRO A 328 5.934 -3.582 5.949 1.00 15.00 C ATOM 491 C PRO A 328 4.949 -4.082 7.016 1.00 15.00 C ATOM 492 O PRO A 328 5.318 -4.386 8.149 1.00 15.00 O ATOM 493 CB PRO A 328 6.320 -2.095 6.109 1.00 15.00 C ATOM 494 CG PRO A 328 6.066 -1.474 4.759 1.00 15.00 C ATOM 495 CD PRO A 328 4.979 -2.272 4.166 1.00 15.00 C ATOM 0 HA PRO A 328 6.818 -4.214 6.038 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.722 -1.614 6.883 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.365 -1.988 6.401 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.779 -0.427 4.855 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.961 -1.504 4.137 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.997 -1.918 4.480 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.997 -2.237 3.077 1.00 15.00 H new ATOM 503 N ARG A 329 3.667 -4.133 6.614 1.00 15.00 N ATOM 504 CA ARG A 329 2.597 -4.715 7.420 1.00 15.00 C ATOM 505 C ARG A 329 2.819 -6.209 7.649 1.00 15.00 C ATOM 506 O ARG A 329 2.475 -6.737 8.707 1.00 15.00 O ATOM 507 CB ARG A 329 1.214 -4.480 6.772 1.00 15.00 C ATOM 508 CG ARG A 329 0.745 -3.044 6.886 1.00 15.00 C ATOM 509 CD ARG A 329 0.578 -2.624 8.337 1.00 15.00 C ATOM 510 NE ARG A 329 -0.483 -3.373 9.010 1.00 15.00 N ATOM 511 CZ ARG A 329 -0.998 -3.032 10.192 1.00 15.00 C ATOM 512 NH1 ARG A 329 -0.508 -1.997 10.863 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -1.990 -3.742 10.713 1.00 15.00 N ATOM 0 H ARG A 329 3.350 -3.768 5.716 1.00 15.00 H new ATOM 0 HA ARG A 329 2.617 -4.212 8.387 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.260 -4.759 5.719 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.481 -5.135 7.244 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.463 -2.386 6.396 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.203 -2.928 6.361 1.00 15.00 H new ATOM 0 HD2 ARG A 329 1.519 -2.773 8.867 1.00 15.00 H new ATOM 0 HD3 ARG A 329 0.353 -1.558 8.382 1.00 15.00 H new ATOM 0 HE ARG A 329 -0.851 -4.205 8.548 1.00 15.00 H new ATOM 0 HH11 ARG A 329 0.266 -1.458 10.475 1.00 15.00 H new ATOM 0 HH12 ARG A 329 -0.906 -1.741 11.767 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -2.359 -4.549 10.210 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -2.384 -3.481 11.617 1.00 15.00 H new ATOM 645 N PRO B 207 -4.321 -9.064 -6.754 1.00 15.00 N ATOM 646 CA PRO B 207 -4.180 -7.836 -7.532 1.00 15.00 C ATOM 647 C PRO B 207 -4.567 -6.594 -6.722 1.00 15.00 C ATOM 648 O PRO B 207 -5.698 -6.485 -6.238 1.00 15.00 O ATOM 649 CB PRO B 207 -5.171 -8.027 -8.686 1.00 15.00 C ATOM 650 CG PRO B 207 -5.434 -9.498 -8.782 1.00 15.00 C ATOM 651 CD PRO B 207 -5.002 -10.130 -7.483 1.00 15.00 C ATOM 0 HA PRO B 207 -3.150 -7.676 -7.851 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -6.095 -7.479 -8.499 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -4.758 -7.645 -9.619 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -6.492 -9.686 -8.965 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -4.885 -9.930 -9.618 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -5.858 -10.507 -6.923 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -4.338 -10.976 -7.657 1.00 15.00 H new ATOM 659 N PRO B 208 -3.621 -5.655 -6.542 1.00 15.00 N ATOM 660 CA PRO B 208 -3.826 -4.474 -5.718 1.00 15.00 C ATOM 661 C PRO B 208 -4.425 -3.291 -6.474 1.00 15.00 C ATOM 662 O PRO B 208 -4.370 -3.227 -7.705 1.00 15.00 O ATOM 663 CB PRO B 208 -2.413 -4.137 -5.231 1.00 15.00 C ATOM 664 CG PRO B 208 -1.457 -4.872 -6.126 1.00 15.00 C ATOM 665 CD PRO B 208 -2.269 -5.675 -7.110 1.00 15.00 C ATOM 0 HA PRO B 208 -4.544 -4.670 -4.922 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -2.235 -3.063 -5.275 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.280 -4.440 -4.192 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.808 -4.170 -6.650 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.812 -5.526 -5.540 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -2.246 -5.231 -8.105 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.890 -6.692 -7.206 1.00 15.00 H new ATOM 673 N PRO B 209 -4.995 -2.338 -5.713 1.00 15.00 N ATOM 674 CA PRO B 209 -5.576 -1.099 -6.248 1.00 15.00 C ATOM 675 C PRO B 209 -4.642 -0.374 -7.223 1.00 15.00 C ATOM 676 O PRO B 209 -3.471 -0.150 -6.911 1.00 15.00 O ATOM 677 CB PRO B 209 -5.762 -0.227 -4.999 1.00 15.00 C ATOM 678 CG PRO B 209 -5.812 -1.161 -3.842 1.00 15.00 C ATOM 679 CD PRO B 209 -5.132 -2.433 -4.251 1.00 15.00 C ATOM 0 HA PRO B 209 -6.489 -1.304 -6.808 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -4.940 0.480 -4.893 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.679 0.358 -5.066 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.315 -0.724 -2.976 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.845 -1.356 -3.552 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.159 -2.533 -3.769 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.721 -3.305 -3.965 1.00 15.00 H new ATOM 687 N PRO B 210 -5.154 -0.003 -8.413 1.00 15.00 N ATOM 688 CA PRO B 210 -4.407 0.808 -9.391 1.00 15.00 C ATOM 689 C PRO B 210 -3.851 2.074 -8.747 1.00 15.00 C ATOM 690 O PRO B 210 -4.467 2.628 -7.832 1.00 15.00 O ATOM 691 CB PRO B 210 -5.466 1.151 -10.439 1.00 15.00 C ATOM 692 CG PRO B 210 -6.444 0.035 -10.357 1.00 15.00 C ATOM 693 CD PRO B 210 -6.499 -0.351 -8.905 1.00 15.00 C ATOM 0 HA PRO B 210 -3.544 0.287 -9.805 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -5.939 2.110 -10.227 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.030 1.224 -11.435 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.425 0.346 -10.717 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.130 -0.807 -10.974 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.277 0.196 -8.372 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.712 -1.412 -8.778 1.00 15.00 H new ATOM 701 N TYR B 211 -2.711 2.552 -9.236 1.00 15.00 N ATOM 702 CA TYR B 211 -1.990 3.604 -8.537 1.00 15.00 C ATOM 703 C TYR B 211 -2.699 4.953 -8.581 1.00 15.00 C ATOM 704 O TYR B 211 -2.567 5.730 -9.529 1.00 15.00 O ATOM 705 CB TYR B 211 -0.556 3.768 -9.032 1.00 15.00 C ATOM 706 CG TYR B 211 0.229 4.739 -8.174 1.00 15.00 C ATOM 707 CD1 TYR B 211 0.497 4.444 -6.843 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.693 5.951 -8.681 1.00 15.00 C ATOM 709 CE1 TYR B 211 1.199 5.322 -6.045 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.397 6.830 -7.879 1.00 15.00 C ATOM 711 CZ TYR B 211 1.643 6.510 -6.570 1.00 15.00 C ATOM 712 OH TYR B 211 2.353 7.383 -5.790 1.00 15.00 O ATOM 0 H TYR B 211 -2.274 2.232 -10.100 1.00 15.00 H new ATOM 0 HA TYR B 211 -1.964 3.270 -7.500 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.058 2.798 -9.031 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.566 4.120 -10.063 1.00 15.00 H new ATOM 0 HD1 TYR B 211 0.149 3.510 -6.426 1.00 15.00 H new ATOM 0 HD2 TYR B 211 0.500 6.207 -9.712 1.00 15.00 H new ATOM 0 HE1 TYR B 211 1.399 5.076 -5.012 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.752 7.766 -8.283 1.00 15.00 H new ATOM 0 HH TYR B 211 2.188 8.300 -6.093 1.00 15.00 H new ATOM 722 N SER B 212 -3.489 5.182 -7.562 1.00 15.00 N ATOM 723 CA SER B 212 -3.943 6.503 -7.196 1.00 15.00 C ATOM 724 C SER B 212 -3.175 6.868 -5.939 1.00 15.00 C ATOM 725 O SER B 212 -2.804 5.968 -5.185 1.00 15.00 O ATOM 726 CB SER B 212 -5.457 6.514 -6.947 1.00 15.00 C ATOM 727 OG SER B 212 -5.934 7.837 -6.736 1.00 15.00 O ATOM 0 H SER B 212 -3.841 4.444 -6.952 1.00 15.00 H new ATOM 0 HA SER B 212 -3.763 7.224 -7.993 1.00 15.00 H new ATOM 0 HB2 SER B 212 -5.972 6.071 -7.800 1.00 15.00 H new ATOM 0 HB3 SER B 212 -5.690 5.898 -6.079 1.00 15.00 H new ATOM 0 HG SER B 212 -6.902 7.815 -6.582 1.00 15.00 H new ATOM 733 N ARG B 213 -2.913 8.148 -5.703 1.00 15.00 N ATOM 734 CA ARG B 213 -2.092 8.526 -4.558 1.00 15.00 C ATOM 735 C ARG B 213 -2.760 8.025 -3.290 1.00 15.00 C ATOM 736 O ARG B 213 -2.123 7.430 -2.424 1.00 15.00 O ATOM 737 CB ARG B 213 -1.943 10.047 -4.431 1.00 15.00 C ATOM 738 CG ARG B 213 -1.563 10.777 -5.695 1.00 15.00 C ATOM 739 CD ARG B 213 -1.584 12.283 -5.493 1.00 15.00 C ATOM 740 NE ARG B 213 -2.936 12.774 -5.236 1.00 15.00 N ATOM 741 CZ ARG B 213 -3.224 13.801 -4.438 1.00 15.00 C ATOM 742 NH1 ARG B 213 -2.254 14.479 -3.832 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -4.488 14.154 -4.252 1.00 15.00 N ATOM 0 H ARG B 213 -3.247 8.925 -6.273 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.105 8.087 -4.703 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -2.885 10.456 -4.067 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.190 10.257 -3.672 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -0.568 10.465 -6.012 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -2.252 10.506 -6.495 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.936 12.547 -4.658 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -1.180 12.775 -6.378 1.00 15.00 H new ATOM 0 HE ARG B 213 -3.711 12.299 -5.698 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -1.280 14.214 -3.976 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -2.484 15.264 -3.223 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -5.235 13.640 -4.719 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -4.714 14.940 -3.642 1.00 15.00 H new ATOM 757 N TYR B 214 -4.043 8.319 -3.174 1.00 15.00 N ATOM 758 CA TYR B 214 -4.837 7.868 -2.049 1.00 15.00 C ATOM 759 C TYR B 214 -5.993 7.008 -2.542 1.00 15.00 C ATOM 760 O TYR B 214 -7.109 7.490 -2.730 1.00 15.00 O ATOM 761 CB TYR B 214 -5.306 9.084 -1.233 1.00 15.00 C ATOM 762 CG TYR B 214 -4.171 10.061 -0.983 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.722 10.894 -2.002 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.513 10.111 0.239 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.656 11.744 -1.821 1.00 15.00 C ATOM 766 CE2 TYR B 214 -2.447 10.971 0.435 1.00 15.00 C ATOM 767 CZ TYR B 214 -2.020 11.782 -0.597 1.00 15.00 C ATOM 768 OH TYR B 214 -0.948 12.622 -0.402 1.00 15.00 O ATOM 0 H TYR B 214 -4.560 8.875 -3.855 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.237 7.243 -1.387 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.112 9.590 -1.764 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.714 8.748 -0.280 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -4.223 10.873 -2.959 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.837 9.471 1.046 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -2.320 12.376 -2.630 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -1.950 11.008 1.393 1.00 15.00 H new ATOM 0 HH TYR B 214 -0.171 12.099 -0.112 1.00 15.00 H new ATOM 778 N PRO B 215 -5.714 5.731 -2.821 1.00 15.00 N ATOM 779 CA PRO B 215 -6.702 4.806 -3.365 1.00 15.00 C ATOM 780 C PRO B 215 -7.649 4.280 -2.292 1.00 15.00 C ATOM 781 O PRO B 215 -7.220 3.653 -1.325 1.00 15.00 O ATOM 782 CB PRO B 215 -5.842 3.680 -3.943 1.00 15.00 C ATOM 783 CG PRO B 215 -4.585 3.689 -3.132 1.00 15.00 C ATOM 784 CD PRO B 215 -4.399 5.091 -2.626 1.00 15.00 C ATOM 0 HA PRO B 215 -7.353 5.277 -4.101 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.351 2.719 -3.870 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.630 3.849 -4.999 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.656 2.986 -2.302 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -3.733 3.381 -3.738 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.106 5.099 -1.576 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -3.618 5.612 -3.179 1.00 15.00 H new