USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 315 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 318 HIS : no HD1:sc= -2.22! C(o=-0.17!,f=-14!) USER MOD Set 1.2: B 211 TYR OH : rot 47:sc= 0.796 USER MOD Set 1.3: B 214 TYR OH : rot -132:sc= 1.25 USER MOD Set 2.1: A 320 ASN : amide:sc= -0.0762 K(o=0.27,f=-0.64) USER MOD Set 2.2: A 322 THR OG1 : rot 67:sc= 0.348 USER MOD Single : A 307 ASN : amide:sc= -1.76 K(o=-1.8,f=-5.9!) USER MOD Single : A 308 THR OG1 : rot -76:sc= 0.776 USER MOD Single : A 310 THR OG1 : rot 180:sc= 0.0079 USER MOD Single : A 314 TYR OH : rot -48:sc= -0.888! USER MOD Single : A 319 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.9!) USER MOD Single : A 323 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 324 GLN : amide:sc= 0.618 K(o=0.62,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 5.258 5.322 9.830 1.00 15.00 N ATOM 25 CA LEU A 299 5.258 5.288 8.376 1.00 15.00 C ATOM 26 C LEU A 299 6.401 6.143 7.839 1.00 15.00 C ATOM 27 O LEU A 299 6.544 7.304 8.232 1.00 15.00 O ATOM 28 CB LEU A 299 3.925 5.820 7.842 1.00 15.00 C ATOM 29 CG LEU A 299 3.782 5.815 6.319 1.00 15.00 C ATOM 30 CD1 LEU A 299 3.615 4.395 5.799 1.00 15.00 C ATOM 31 CD2 LEU A 299 2.616 6.687 5.889 1.00 15.00 C ATOM 0 HA LEU A 299 5.392 4.258 8.045 1.00 15.00 H new ATOM 0 HB2 LEU A 299 3.118 5.224 8.268 1.00 15.00 H new ATOM 0 HB3 LEU A 299 3.791 6.841 8.200 1.00 15.00 H new ATOM 0 HG LEU A 299 4.694 6.229 5.888 1.00 15.00 H new ATOM 0 HD11 LEU A 299 3.515 4.414 4.714 1.00 15.00 H new ATOM 0 HD12 LEU A 299 4.488 3.802 6.072 1.00 15.00 H new ATOM 0 HD13 LEU A 299 2.722 3.950 6.238 1.00 15.00 H new ATOM 0 HD21 LEU A 299 2.531 6.671 4.802 1.00 15.00 H new ATOM 0 HD22 LEU A 299 1.695 6.307 6.331 1.00 15.00 H new ATOM 0 HD23 LEU A 299 2.784 7.710 6.224 1.00 15.00 H new ATOM 43 N PRO A 300 7.232 5.593 6.943 1.00 15.00 N ATOM 44 CA PRO A 300 8.327 6.349 6.341 1.00 15.00 C ATOM 45 C PRO A 300 7.786 7.401 5.373 1.00 15.00 C ATOM 46 O PRO A 300 6.825 7.142 4.652 1.00 15.00 O ATOM 47 CB PRO A 300 9.148 5.286 5.595 1.00 15.00 C ATOM 48 CG PRO A 300 8.586 3.961 6.010 1.00 15.00 C ATOM 49 CD PRO A 300 7.168 4.219 6.420 1.00 15.00 C ATOM 0 HA PRO A 300 8.920 6.892 7.077 1.00 15.00 H new ATOM 0 HB2 PRO A 300 9.072 5.421 4.516 1.00 15.00 H new ATOM 0 HB3 PRO A 300 10.205 5.359 5.852 1.00 15.00 H new ATOM 0 HG2 PRO A 300 8.630 3.245 5.189 1.00 15.00 H new ATOM 0 HG3 PRO A 300 9.159 3.536 6.834 1.00 15.00 H new ATOM 0 HD2 PRO A 300 6.481 4.137 5.578 1.00 15.00 H new ATOM 0 HD3 PRO A 300 6.830 3.512 7.177 1.00 15.00 H new ATOM 57 N PRO A 301 8.412 8.592 5.322 1.00 15.00 N ATOM 58 CA PRO A 301 7.898 9.740 4.551 1.00 15.00 C ATOM 59 C PRO A 301 7.829 9.498 3.039 1.00 15.00 C ATOM 60 O PRO A 301 7.288 10.321 2.299 1.00 15.00 O ATOM 61 CB PRO A 301 8.896 10.862 4.861 1.00 15.00 C ATOM 62 CG PRO A 301 10.134 10.164 5.311 1.00 15.00 C ATOM 63 CD PRO A 301 9.674 8.915 6.008 1.00 15.00 C ATOM 0 HA PRO A 301 6.869 9.960 4.833 1.00 15.00 H new ATOM 0 HB2 PRO A 301 9.087 11.475 3.980 1.00 15.00 H new ATOM 0 HB3 PRO A 301 8.514 11.527 5.636 1.00 15.00 H new ATOM 0 HG2 PRO A 301 10.777 9.924 4.464 1.00 15.00 H new ATOM 0 HG3 PRO A 301 10.715 10.795 5.984 1.00 15.00 H new ATOM 0 HD2 PRO A 301 10.402 8.109 5.912 1.00 15.00 H new ATOM 0 HD3 PRO A 301 9.521 9.082 7.074 1.00 15.00 H new ATOM 71 N GLY A 302 8.408 8.397 2.580 1.00 15.00 N ATOM 72 CA GLY A 302 8.332 8.046 1.172 1.00 15.00 C ATOM 73 C GLY A 302 7.187 7.095 0.889 1.00 15.00 C ATOM 74 O GLY A 302 6.791 6.899 -0.262 1.00 15.00 O ATOM 0 H GLY A 302 8.930 7.738 3.157 1.00 15.00 H new ATOM 0 HA2 GLY A 302 8.207 8.951 0.578 1.00 15.00 H new ATOM 0 HA3 GLY A 302 9.271 7.587 0.861 1.00 15.00 H new ATOM 78 N TRP A 303 6.658 6.513 1.952 1.00 15.00 N ATOM 79 CA TRP A 303 5.660 5.463 1.853 1.00 15.00 C ATOM 80 C TRP A 303 4.257 5.984 2.083 1.00 15.00 C ATOM 81 O TRP A 303 4.056 6.922 2.852 1.00 15.00 O ATOM 82 CB TRP A 303 5.954 4.377 2.863 1.00 15.00 C ATOM 83 CG TRP A 303 6.979 3.422 2.390 1.00 15.00 C ATOM 84 CD1 TRP A 303 8.330 3.549 2.488 1.00 15.00 C ATOM 85 CD2 TRP A 303 6.734 2.192 1.724 1.00 15.00 C ATOM 86 NE1 TRP A 303 8.940 2.458 1.942 1.00 15.00 N ATOM 87 CE2 TRP A 303 7.974 1.609 1.471 1.00 15.00 C ATOM 88 CE3 TRP A 303 5.581 1.516 1.325 1.00 15.00 C ATOM 89 CZ2 TRP A 303 8.090 0.391 0.841 1.00 15.00 C ATOM 90 CZ3 TRP A 303 5.707 0.303 0.697 1.00 15.00 C ATOM 91 CH2 TRP A 303 6.955 -0.251 0.464 1.00 15.00 C ATOM 0 H TRP A 303 6.910 6.756 2.910 1.00 15.00 H new ATOM 0 HA TRP A 303 5.711 5.065 0.840 1.00 15.00 H new ATOM 0 HB2 TRP A 303 6.290 4.833 3.794 1.00 15.00 H new ATOM 0 HB3 TRP A 303 5.035 3.836 3.087 1.00 15.00 H new ATOM 0 HD1 TRP A 303 8.843 4.389 2.932 1.00 15.00 H new ATOM 0 HE1 TRP A 303 9.947 2.301 1.893 1.00 15.00 H new ATOM 0 HE3 TRP A 303 4.605 1.941 1.508 1.00 15.00 H new ATOM 0 HZ2 TRP A 303 9.060 -0.043 0.651 1.00 15.00 H new ATOM 0 HZ3 TRP A 303 4.821 -0.227 0.380 1.00 15.00 H new ATOM 0 HH2 TRP A 303 7.026 -1.211 -0.026 1.00 15.00 H new ATOM 102 N GLU A 304 3.284 5.340 1.453 1.00 15.00 N ATOM 103 CA GLU A 304 1.892 5.799 1.542 1.00 15.00 C ATOM 104 C GLU A 304 0.949 4.641 1.876 1.00 15.00 C ATOM 105 O GLU A 304 0.675 3.793 1.044 1.00 15.00 O ATOM 106 CB GLU A 304 1.504 6.492 0.231 1.00 15.00 C ATOM 107 CG GLU A 304 2.229 7.811 0.036 1.00 15.00 C ATOM 108 CD GLU A 304 1.672 8.937 0.891 1.00 15.00 C ATOM 109 OE1 GLU A 304 1.821 8.899 2.126 1.00 15.00 O1- ATOM 110 OE2 GLU A 304 1.096 9.886 0.316 1.00 15.00 O ATOM 0 H GLU A 304 3.423 4.508 0.880 1.00 15.00 H new ATOM 0 HA GLU A 304 1.800 6.519 2.355 1.00 15.00 H new ATOM 0 HB2 GLU A 304 1.728 5.831 -0.606 1.00 15.00 H new ATOM 0 HB3 GLU A 304 0.428 6.667 0.221 1.00 15.00 H new ATOM 0 HG2 GLU A 304 3.285 7.675 0.270 1.00 15.00 H new ATOM 0 HG3 GLU A 304 2.170 8.098 -1.014 1.00 15.00 H new ATOM 117 N ILE A 305 0.456 4.610 3.106 1.00 15.00 N ATOM 118 CA ILE A 305 -0.240 3.429 3.620 1.00 15.00 C ATOM 119 C ILE A 305 -1.767 3.517 3.510 1.00 15.00 C ATOM 120 O ILE A 305 -2.381 4.502 3.930 1.00 15.00 O ATOM 121 CB ILE A 305 0.136 3.171 5.101 1.00 15.00 C ATOM 122 CG1 ILE A 305 -0.645 1.975 5.661 1.00 15.00 C ATOM 123 CG2 ILE A 305 -0.112 4.415 5.949 1.00 15.00 C ATOM 124 CD1 ILE A 305 -0.347 1.673 7.115 1.00 15.00 C ATOM 0 H ILE A 305 0.522 5.383 3.768 1.00 15.00 H new ATOM 0 HA ILE A 305 0.089 2.603 2.989 1.00 15.00 H new ATOM 0 HB ILE A 305 1.200 2.936 5.142 1.00 15.00 H new ATOM 0 HG12 ILE A 305 -1.712 2.167 5.552 1.00 15.00 H new ATOM 0 HG13 ILE A 305 -0.417 1.093 5.063 1.00 15.00 H new ATOM 0 HG21 ILE A 305 0.159 4.209 6.985 1.00 15.00 H new ATOM 0 HG22 ILE A 305 0.494 5.239 5.572 1.00 15.00 H new ATOM 0 HG23 ILE A 305 -1.166 4.686 5.897 1.00 15.00 H new ATOM 0 HD11 ILE A 305 -0.937 0.815 7.437 1.00 15.00 H new ATOM 0 HD12 ILE A 305 0.713 1.448 7.230 1.00 15.00 H new ATOM 0 HD13 ILE A 305 -0.602 2.539 7.726 1.00 15.00 H new ATOM 136 N ARG A 306 -2.373 2.475 2.935 1.00 15.00 N ATOM 137 CA ARG A 306 -3.808 2.251 3.071 1.00 15.00 C ATOM 138 C ARG A 306 -4.106 0.762 3.220 1.00 15.00 C ATOM 139 O ARG A 306 -3.566 -0.079 2.489 1.00 15.00 O ATOM 140 CB ARG A 306 -4.623 2.787 1.892 1.00 15.00 C ATOM 141 CG ARG A 306 -4.672 4.298 1.774 1.00 15.00 C ATOM 142 CD ARG A 306 -5.982 4.746 1.146 1.00 15.00 C ATOM 143 NE ARG A 306 -7.097 4.676 2.100 1.00 15.00 N ATOM 144 CZ ARG A 306 -8.016 3.701 2.133 1.00 15.00 C ATOM 145 NH1 ARG A 306 -7.971 2.696 1.270 1.00 15.00 N1+ ATOM 146 NH2 ARG A 306 -8.994 3.742 3.028 1.00 15.00 N ATOM 0 H ARG A 306 -1.889 1.775 2.372 1.00 15.00 H new ATOM 0 HA ARG A 306 -4.106 2.801 3.964 1.00 15.00 H new ATOM 0 HB2 ARG A 306 -4.209 2.380 0.970 1.00 15.00 H new ATOM 0 HB3 ARG A 306 -5.643 2.412 1.976 1.00 15.00 H new ATOM 0 HG2 ARG A 306 -4.563 4.748 2.761 1.00 15.00 H new ATOM 0 HG3 ARG A 306 -3.835 4.648 1.170 1.00 15.00 H new ATOM 0 HD2 ARG A 306 -5.879 5.768 0.781 1.00 15.00 H new ATOM 0 HD3 ARG A 306 -6.203 4.120 0.282 1.00 15.00 H new ATOM 0 HE ARG A 306 -7.178 5.425 2.788 1.00 15.00 H new ATOM 0 HH11 ARG A 306 -7.231 2.658 0.570 1.00 15.00 H new ATOM 0 HH12 ARG A 306 -8.677 1.961 1.306 1.00 15.00 H new ATOM 0 HH21 ARG A 306 -9.047 4.515 3.691 1.00 15.00 H new ATOM 0 HH22 ARG A 306 -9.694 3.000 3.053 1.00 15.00 H new ATOM 160 N ASN A 307 -4.984 0.443 4.156 1.00 15.00 N ATOM 161 CA ASN A 307 -5.466 -0.916 4.322 1.00 15.00 C ATOM 162 C ASN A 307 -6.798 -1.055 3.575 1.00 15.00 C ATOM 163 O ASN A 307 -7.703 -0.245 3.780 1.00 15.00 O ATOM 164 CB ASN A 307 -5.658 -1.223 5.816 1.00 15.00 C ATOM 165 CG ASN A 307 -5.913 -2.696 6.106 1.00 15.00 C ATOM 166 OD1 ASN A 307 -6.473 -3.427 5.292 1.00 15.00 O ATOM 167 ND2 ASN A 307 -5.505 -3.144 7.284 1.00 15.00 N ATOM 0 H ASN A 307 -5.379 1.113 4.816 1.00 15.00 H new ATOM 0 HA ASN A 307 -4.742 -1.623 3.917 1.00 15.00 H new ATOM 0 HB2 ASN A 307 -4.771 -0.902 6.362 1.00 15.00 H new ATOM 0 HB3 ASN A 307 -6.495 -0.636 6.195 1.00 15.00 H new ATOM 0 HD21 ASN A 307 -5.653 -4.121 7.537 1.00 15.00 H new ATOM 0 HD22 ASN A 307 -5.043 -2.512 7.938 1.00 15.00 H new ATOM 174 N THR A 308 -6.931 -2.066 2.723 1.00 15.00 N ATOM 175 CA THR A 308 -8.168 -2.269 1.989 1.00 15.00 C ATOM 176 C THR A 308 -9.091 -3.163 2.800 1.00 15.00 C ATOM 177 O THR A 308 -8.625 -4.104 3.453 1.00 15.00 O ATOM 178 CB THR A 308 -7.912 -2.913 0.608 1.00 15.00 C ATOM 179 OG1 THR A 308 -6.515 -3.200 0.441 1.00 15.00 O ATOM 180 CG2 THR A 308 -8.382 -2.002 -0.519 1.00 15.00 C ATOM 0 H THR A 308 -6.201 -2.751 2.527 1.00 15.00 H new ATOM 0 HA THR A 308 -8.629 -1.295 1.826 1.00 15.00 H new ATOM 0 HB THR A 308 -8.481 -3.842 0.565 1.00 15.00 H new ATOM 0 HG1 THR A 308 -6.032 -2.371 0.242 1.00 15.00 H new ATOM 0 HG21 THR A 308 -8.189 -2.481 -1.479 1.00 15.00 H new ATOM 0 HG22 THR A 308 -9.451 -1.816 -0.415 1.00 15.00 H new ATOM 0 HG23 THR A 308 -7.843 -1.056 -0.471 1.00 15.00 H new ATOM 188 N ALA A 309 -10.392 -2.887 2.738 1.00 15.00 N ATOM 189 CA ALA A 309 -11.379 -3.558 3.590 1.00 15.00 C ATOM 190 C ALA A 309 -11.403 -5.071 3.382 1.00 15.00 C ATOM 191 O ALA A 309 -11.963 -5.802 4.200 1.00 15.00 O ATOM 192 CB ALA A 309 -12.761 -2.982 3.339 1.00 15.00 C ATOM 0 H ALA A 309 -10.792 -2.198 2.102 1.00 15.00 H new ATOM 0 HA ALA A 309 -11.083 -3.378 4.623 1.00 15.00 H new ATOM 0 HB1 ALA A 309 -13.487 -3.487 3.976 1.00 15.00 H new ATOM 0 HB2 ALA A 309 -12.758 -1.916 3.567 1.00 15.00 H new ATOM 0 HB3 ALA A 309 -13.032 -3.129 2.294 1.00 15.00 H new ATOM 198 N THR A 310 -10.797 -5.537 2.300 1.00 15.00 N ATOM 199 CA THR A 310 -10.680 -6.965 2.038 1.00 15.00 C ATOM 200 C THR A 310 -9.739 -7.625 3.054 1.00 15.00 C ATOM 201 O THR A 310 -9.756 -8.840 3.244 1.00 15.00 O ATOM 202 CB THR A 310 -10.156 -7.208 0.611 1.00 15.00 C ATOM 203 OG1 THR A 310 -10.728 -6.237 -0.275 1.00 15.00 O ATOM 204 CG2 THR A 310 -10.512 -8.607 0.128 1.00 15.00 C ATOM 0 H THR A 310 -10.376 -4.943 1.585 1.00 15.00 H new ATOM 0 HA THR A 310 -11.670 -7.410 2.134 1.00 15.00 H new ATOM 0 HB THR A 310 -9.070 -7.114 0.620 1.00 15.00 H new ATOM 0 HG1 THR A 310 -10.395 -6.388 -1.184 1.00 15.00 H new ATOM 0 HG21 THR A 310 -10.130 -8.751 -0.883 1.00 15.00 H new ATOM 0 HG22 THR A 310 -10.066 -9.346 0.794 1.00 15.00 H new ATOM 0 HG23 THR A 310 -11.595 -8.727 0.127 1.00 15.00 H new ATOM 212 N GLY A 311 -8.933 -6.804 3.723 1.00 15.00 N ATOM 213 CA GLY A 311 -8.020 -7.308 4.732 1.00 15.00 C ATOM 214 C GLY A 311 -6.588 -7.439 4.244 1.00 15.00 C ATOM 215 O GLY A 311 -5.901 -8.401 4.587 1.00 15.00 O ATOM 0 H GLY A 311 -8.897 -5.794 3.582 1.00 15.00 H new ATOM 0 HA2 GLY A 311 -8.042 -6.642 5.595 1.00 15.00 H new ATOM 0 HA3 GLY A 311 -8.370 -8.283 5.072 1.00 15.00 H new ATOM 219 N ARG A 312 -6.129 -6.475 3.448 1.00 15.00 N ATOM 220 CA ARG A 312 -4.753 -6.475 2.938 1.00 15.00 C ATOM 221 C ARG A 312 -4.272 -5.028 2.849 1.00 15.00 C ATOM 222 O ARG A 312 -5.072 -4.143 2.543 1.00 15.00 O ATOM 223 CB ARG A 312 -4.666 -7.122 1.547 1.00 15.00 C ATOM 224 CG ARG A 312 -5.675 -8.225 1.273 1.00 15.00 C ATOM 225 CD ARG A 312 -5.503 -8.771 -0.132 1.00 15.00 C ATOM 226 NE ARG A 312 -6.685 -9.481 -0.606 1.00 15.00 N ATOM 227 CZ ARG A 312 -7.254 -9.265 -1.792 1.00 15.00 C ATOM 228 NH1 ARG A 312 -6.762 -8.341 -2.612 1.00 15.00 N1+ ATOM 229 NH2 ARG A 312 -8.309 -9.978 -2.164 1.00 15.00 N ATOM 0 H ARG A 312 -6.689 -5.680 3.140 1.00 15.00 H new ATOM 0 HA ARG A 312 -4.129 -7.055 3.617 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -4.792 -6.343 0.795 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -3.664 -7.530 1.418 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -5.549 -9.028 1.999 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.687 -7.839 1.397 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.280 -7.949 -0.812 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -4.646 -9.444 -0.154 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.101 -10.184 0.005 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -5.947 -7.795 -2.334 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -7.200 -8.179 -3.519 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.686 -10.693 -1.542 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -8.743 -9.811 -3.072 1.00 15.00 H new ATOM 243 N VAL A 313 -2.985 -4.778 3.071 1.00 15.00 N ATOM 244 CA VAL A 313 -2.506 -3.401 3.171 1.00 15.00 C ATOM 245 C VAL A 313 -1.538 -3.026 2.032 1.00 15.00 C ATOM 246 O VAL A 313 -0.371 -3.398 2.043 1.00 15.00 O ATOM 247 CB VAL A 313 -1.817 -3.148 4.526 1.00 15.00 C ATOM 248 CG1 VAL A 313 -1.707 -1.655 4.799 1.00 15.00 C ATOM 249 CG2 VAL A 313 -2.565 -3.845 5.652 1.00 15.00 C ATOM 0 H VAL A 313 -2.267 -5.494 3.183 1.00 15.00 H new ATOM 0 HA VAL A 313 -3.390 -2.769 3.086 1.00 15.00 H new ATOM 0 HB VAL A 313 -0.811 -3.564 4.479 1.00 15.00 H new ATOM 0 HG11 VAL A 313 -1.218 -1.496 5.760 1.00 15.00 H new ATOM 0 HG12 VAL A 313 -1.120 -1.183 4.011 1.00 15.00 H new ATOM 0 HG13 VAL A 313 -2.704 -1.215 4.822 1.00 15.00 H new ATOM 0 HG21 VAL A 313 -2.060 -3.652 6.598 1.00 15.00 H new ATOM 0 HG22 VAL A 313 -3.585 -3.465 5.701 1.00 15.00 H new ATOM 0 HG23 VAL A 313 -2.587 -4.919 5.465 1.00 15.00 H new ATOM 259 N TYR A 314 -2.046 -2.284 1.055 1.00 15.00 N ATOM 260 CA TYR A 314 -1.261 -1.777 -0.045 1.00 15.00 C ATOM 261 C TYR A 314 -0.677 -0.408 0.308 1.00 15.00 C ATOM 262 O TYR A 314 -1.401 0.563 0.545 1.00 15.00 O ATOM 263 CB TYR A 314 -2.127 -1.675 -1.321 1.00 15.00 C ATOM 264 CG TYR A 314 -3.286 -0.696 -1.210 1.00 15.00 C ATOM 265 CD1 TYR A 314 -4.335 -0.936 -0.334 1.00 15.00 C ATOM 266 CD2 TYR A 314 -3.321 0.479 -1.965 1.00 15.00 C ATOM 267 CE1 TYR A 314 -5.378 -0.042 -0.204 1.00 15.00 C ATOM 268 CE2 TYR A 314 -4.366 1.377 -1.839 1.00 15.00 C ATOM 269 CZ TYR A 314 -5.387 1.111 -0.954 1.00 15.00 C ATOM 270 OH TYR A 314 -6.425 2.000 -0.821 1.00 15.00 O ATOM 0 H TYR A 314 -3.030 -2.018 1.012 1.00 15.00 H new ATOM 0 HA TYR A 314 -0.441 -2.469 -0.235 1.00 15.00 H new ATOM 0 HB2 TYR A 314 -1.492 -1.376 -2.155 1.00 15.00 H new ATOM 0 HB3 TYR A 314 -2.522 -2.663 -1.559 1.00 15.00 H new ATOM 0 HD1 TYR A 314 -4.335 -1.840 0.257 1.00 15.00 H new ATOM 0 HD2 TYR A 314 -2.520 0.690 -2.658 1.00 15.00 H new ATOM 0 HE1 TYR A 314 -6.185 -0.247 0.484 1.00 15.00 H new ATOM 0 HE2 TYR A 314 -4.381 2.280 -2.431 1.00 15.00 H new ATOM 0 HH TYR A 314 -7.277 1.517 -0.866 1.00 15.00 H new ATOM 280 N PHE A 315 0.632 -0.351 0.390 1.00 15.00 N ATOM 281 CA PHE A 315 1.333 0.902 0.540 1.00 15.00 C ATOM 282 C PHE A 315 1.811 1.334 -0.830 1.00 15.00 C ATOM 283 O PHE A 315 2.565 0.615 -1.471 1.00 15.00 O ATOM 284 CB PHE A 315 2.557 0.757 1.443 1.00 15.00 C ATOM 285 CG PHE A 315 2.313 0.235 2.830 1.00 15.00 C ATOM 286 CD1 PHE A 315 1.743 -1.007 3.033 1.00 15.00 C ATOM 287 CD2 PHE A 315 2.697 0.979 3.932 1.00 15.00 C ATOM 288 CE1 PHE A 315 1.553 -1.495 4.306 1.00 15.00 C ATOM 289 CE2 PHE A 315 2.516 0.491 5.211 1.00 15.00 C ATOM 290 CZ PHE A 315 1.942 -0.749 5.396 1.00 15.00 C ATOM 0 H PHE A 315 1.239 -1.170 0.355 1.00 15.00 H new ATOM 0 HA PHE A 315 0.656 1.629 0.988 1.00 15.00 H new ATOM 0 HB2 PHE A 315 3.267 0.094 0.950 1.00 15.00 H new ATOM 0 HB3 PHE A 315 3.036 1.732 1.526 1.00 15.00 H new ATOM 0 HD1 PHE A 315 1.443 -1.602 2.183 1.00 15.00 H new ATOM 0 HD2 PHE A 315 3.143 1.952 3.790 1.00 15.00 H new ATOM 0 HE1 PHE A 315 1.098 -2.464 4.450 1.00 15.00 H new ATOM 0 HE2 PHE A 315 2.823 1.079 6.064 1.00 15.00 H new ATOM 0 HZ PHE A 315 1.798 -1.135 6.394 1.00 15.00 H new ATOM 300 N VAL A 316 1.376 2.476 -1.298 1.00 15.00 N ATOM 301 CA VAL A 316 1.848 2.949 -2.570 1.00 15.00 C ATOM 302 C VAL A 316 3.097 3.794 -2.369 1.00 15.00 C ATOM 303 O VAL A 316 3.103 4.708 -1.546 1.00 15.00 O ATOM 304 CB VAL A 316 0.786 3.767 -3.339 1.00 15.00 C ATOM 305 CG1 VAL A 316 1.297 4.095 -4.727 1.00 15.00 C ATOM 306 CG2 VAL A 316 -0.537 3.019 -3.417 1.00 15.00 C ATOM 0 H VAL A 316 0.708 3.085 -0.826 1.00 15.00 H new ATOM 0 HA VAL A 316 2.074 2.071 -3.174 1.00 15.00 H new ATOM 0 HB VAL A 316 0.607 4.695 -2.797 1.00 15.00 H new ATOM 0 HG11 VAL A 316 0.545 4.672 -5.265 1.00 15.00 H new ATOM 0 HG12 VAL A 316 2.214 4.679 -4.649 1.00 15.00 H new ATOM 0 HG13 VAL A 316 1.501 3.171 -5.268 1.00 15.00 H new ATOM 0 HG21 VAL A 316 -1.263 3.620 -3.964 1.00 15.00 H new ATOM 0 HG22 VAL A 316 -0.389 2.071 -3.933 1.00 15.00 H new ATOM 0 HG23 VAL A 316 -0.908 2.830 -2.410 1.00 15.00 H new ATOM 316 N ASP A 317 4.167 3.486 -3.088 1.00 15.00 N ATOM 317 CA ASP A 317 5.354 4.304 -3.017 1.00 15.00 C ATOM 318 C ASP A 317 5.231 5.379 -4.072 1.00 15.00 C ATOM 319 O ASP A 317 5.151 5.061 -5.262 1.00 15.00 O ATOM 320 CB ASP A 317 6.631 3.499 -3.294 1.00 15.00 C ATOM 321 CG ASP A 317 6.550 2.049 -2.893 1.00 15.00 C ATOM 322 OD1 ASP A 317 5.914 1.268 -3.623 1.00 15.00 O ATOM 323 OD2 ASP A 317 7.179 1.683 -1.883 1.00 15.00 O1- ATOM 0 H ASP A 317 4.232 2.686 -3.717 1.00 15.00 H new ATOM 0 HA ASP A 317 5.432 4.716 -2.011 1.00 15.00 H new ATOM 0 HB2 ASP A 317 6.859 3.557 -4.358 1.00 15.00 H new ATOM 0 HB3 ASP A 317 7.462 3.964 -2.764 1.00 15.00 H new ATOM 328 N HIS A 318 5.185 6.640 -3.656 1.00 15.00 N ATOM 329 CA HIS A 318 5.138 7.742 -4.616 1.00 15.00 C ATOM 330 C HIS A 318 6.445 7.789 -5.397 1.00 15.00 C ATOM 331 O HIS A 318 6.508 8.336 -6.495 1.00 15.00 O ATOM 332 CB HIS A 318 4.902 9.096 -3.936 1.00 15.00 C ATOM 333 CG HIS A 318 3.535 9.291 -3.337 1.00 15.00 C ATOM 334 ND1 HIS A 318 2.397 8.656 -3.786 1.00 15.00 N ATOM 335 CD2 HIS A 318 3.133 10.082 -2.316 1.00 15.00 C ATOM 336 CE1 HIS A 318 1.362 9.048 -3.067 1.00 15.00 C ATOM 337 NE2 HIS A 318 1.776 9.913 -2.162 1.00 15.00 N ATOM 0 H HIS A 318 5.179 6.924 -2.676 1.00 15.00 H new ATOM 0 HA HIS A 318 4.298 7.559 -5.286 1.00 15.00 H new ATOM 0 HB2 HIS A 318 5.646 9.222 -3.149 1.00 15.00 H new ATOM 0 HB3 HIS A 318 5.075 9.885 -4.668 1.00 15.00 H new ATOM 0 HD2 HIS A 318 3.764 10.731 -1.727 1.00 15.00 H new ATOM 0 HE1 HIS A 318 0.343 8.715 -3.198 1.00 15.00 H new ATOM 0 HE2 HIS A 318 1.191 10.377 -1.467 1.00 15.00 H new ATOM 346 N ASN A 319 7.483 7.213 -4.801 1.00 15.00 N ATOM 347 CA ASN A 319 8.801 7.135 -5.420 1.00 15.00 C ATOM 348 C ASN A 319 8.749 6.270 -6.672 1.00 15.00 C ATOM 349 O ASN A 319 9.309 6.614 -7.712 1.00 15.00 O ATOM 350 CB ASN A 319 9.818 6.528 -4.445 1.00 15.00 C ATOM 351 CG ASN A 319 10.002 7.325 -3.164 1.00 15.00 C ATOM 352 OD1 ASN A 319 9.110 8.060 -2.729 1.00 15.00 O ATOM 353 ND2 ASN A 319 11.156 7.160 -2.539 1.00 15.00 N ATOM 0 H ASN A 319 7.435 6.787 -3.875 1.00 15.00 H new ATOM 0 HA ASN A 319 9.107 8.147 -5.684 1.00 15.00 H new ATOM 0 HB2 ASN A 319 9.501 5.517 -4.189 1.00 15.00 H new ATOM 0 HB3 ASN A 319 10.781 6.442 -4.948 1.00 15.00 H new ATOM 0 HD21 ASN A 319 11.336 7.650 -1.663 1.00 15.00 H new ATOM 0 HD22 ASN A 319 11.866 6.543 -2.934 1.00 15.00 H new ATOM 360 N ASN A 320 8.083 5.129 -6.551 1.00 15.00 N ATOM 361 CA ASN A 320 8.010 4.158 -7.636 1.00 15.00 C ATOM 362 C ASN A 320 6.704 4.306 -8.423 1.00 15.00 C ATOM 363 O ASN A 320 6.559 3.748 -9.510 1.00 15.00 O ATOM 364 CB ASN A 320 8.145 2.737 -7.070 1.00 15.00 C ATOM 365 CG ASN A 320 8.266 1.670 -8.144 1.00 15.00 C ATOM 366 OD1 ASN A 320 8.725 1.933 -9.253 1.00 15.00 O ATOM 367 ND2 ASN A 320 7.881 0.449 -7.808 1.00 15.00 N ATOM 0 H ASN A 320 7.582 4.852 -5.707 1.00 15.00 H new ATOM 0 HA ASN A 320 8.833 4.345 -8.326 1.00 15.00 H new ATOM 0 HB2 ASN A 320 9.022 2.693 -6.424 1.00 15.00 H new ATOM 0 HB3 ASN A 320 7.278 2.518 -6.447 1.00 15.00 H new ATOM 0 HD21 ASN A 320 7.961 -0.314 -8.480 1.00 15.00 H new ATOM 0 HD22 ASN A 320 7.505 0.271 -6.877 1.00 15.00 H new ATOM 374 N ARG A 321 5.746 5.035 -7.845 1.00 15.00 N ATOM 375 CA ARG A 321 4.430 5.240 -8.455 1.00 15.00 C ATOM 376 C ARG A 321 3.686 3.914 -8.562 1.00 15.00 C ATOM 377 O ARG A 321 2.809 3.744 -9.409 1.00 15.00 O ATOM 378 CB ARG A 321 4.566 5.886 -9.838 1.00 15.00 C ATOM 379 CG ARG A 321 5.185 7.274 -9.812 1.00 15.00 C ATOM 380 CD ARG A 321 5.276 7.863 -11.211 1.00 15.00 C ATOM 381 NE ARG A 321 6.065 7.018 -12.110 1.00 15.00 N ATOM 382 CZ ARG A 321 5.832 6.894 -13.417 1.00 15.00 C ATOM 383 NH1 ARG A 321 4.871 7.604 -13.997 1.00 15.00 N1+ ATOM 384 NH2 ARG A 321 6.573 6.068 -14.148 1.00 15.00 N ATOM 0 H ARG A 321 5.860 5.499 -6.944 1.00 15.00 H new ATOM 0 HA ARG A 321 3.858 5.914 -7.817 1.00 15.00 H new ATOM 0 HB2 ARG A 321 5.174 5.240 -10.472 1.00 15.00 H new ATOM 0 HB3 ARG A 321 3.580 5.947 -10.298 1.00 15.00 H new ATOM 0 HG2 ARG A 321 4.588 7.929 -9.177 1.00 15.00 H new ATOM 0 HG3 ARG A 321 6.180 7.223 -9.371 1.00 15.00 H new ATOM 0 HD2 ARG A 321 4.273 7.988 -11.618 1.00 15.00 H new ATOM 0 HD3 ARG A 321 5.725 8.855 -11.159 1.00 15.00 H new ATOM 0 HE ARG A 321 6.842 6.491 -11.711 1.00 15.00 H new ATOM 0 HH11 ARG A 321 4.307 8.248 -13.442 1.00 15.00 H new ATOM 0 HH12 ARG A 321 4.697 7.505 -14.997 1.00 15.00 H new ATOM 0 HH21 ARG A 321 7.320 5.529 -13.709 1.00 15.00 H new ATOM 0 HH22 ARG A 321 6.395 5.973 -15.148 1.00 15.00 H new ATOM 398 N THR A 322 4.000 2.999 -7.661 1.00 15.00 N ATOM 399 CA THR A 322 3.444 1.656 -7.719 1.00 15.00 C ATOM 400 C THR A 322 2.867 1.255 -6.362 1.00 15.00 C ATOM 401 O THR A 322 3.394 1.646 -5.322 1.00 15.00 O ATOM 402 CB THR A 322 4.521 0.642 -8.168 1.00 15.00 C ATOM 403 OG1 THR A 322 5.130 1.093 -9.392 1.00 15.00 O ATOM 404 CG2 THR A 322 3.921 -0.742 -8.383 1.00 15.00 C ATOM 0 H THR A 322 4.637 3.160 -6.881 1.00 15.00 H new ATOM 0 HA THR A 322 2.637 1.650 -8.452 1.00 15.00 H new ATOM 0 HB THR A 322 5.271 0.574 -7.380 1.00 15.00 H new ATOM 0 HG1 THR A 322 5.638 1.913 -9.222 1.00 15.00 H new ATOM 0 HG21 THR A 322 4.703 -1.433 -8.698 1.00 15.00 H new ATOM 0 HG22 THR A 322 3.478 -1.095 -7.452 1.00 15.00 H new ATOM 0 HG23 THR A 322 3.152 -0.689 -9.153 1.00 15.00 H new ATOM 412 N THR A 323 1.771 0.504 -6.377 1.00 15.00 N ATOM 413 CA THR A 323 1.127 0.073 -5.145 1.00 15.00 C ATOM 414 C THR A 323 1.759 -1.219 -4.627 1.00 15.00 C ATOM 415 O THR A 323 2.201 -2.060 -5.412 1.00 15.00 O ATOM 416 CB THR A 323 -0.390 -0.114 -5.339 1.00 15.00 C ATOM 417 OG1 THR A 323 -1.011 -0.457 -4.098 1.00 15.00 O ATOM 418 CG2 THR A 323 -0.691 -1.187 -6.368 1.00 15.00 C ATOM 0 H THR A 323 1.312 0.182 -7.229 1.00 15.00 H new ATOM 0 HA THR A 323 1.278 0.858 -4.404 1.00 15.00 H new ATOM 0 HB THR A 323 -0.793 0.832 -5.701 1.00 15.00 H new ATOM 0 HG1 THR A 323 -1.975 -0.571 -4.235 1.00 15.00 H new ATOM 0 HG21 THR A 323 -1.770 -1.292 -6.479 1.00 15.00 H new ATOM 0 HG22 THR A 323 -0.253 -0.906 -7.326 1.00 15.00 H new ATOM 0 HG23 THR A 323 -0.266 -2.136 -6.040 1.00 15.00 H new ATOM 426 N GLN A 324 1.823 -1.363 -3.308 1.00 15.00 N ATOM 427 CA GLN A 324 2.463 -2.520 -2.698 1.00 15.00 C ATOM 428 C GLN A 324 1.541 -3.246 -1.726 1.00 15.00 C ATOM 429 O GLN A 324 1.411 -2.840 -0.581 1.00 15.00 O ATOM 430 CB GLN A 324 3.721 -2.110 -1.920 1.00 15.00 C ATOM 431 CG GLN A 324 4.767 -1.376 -2.736 1.00 15.00 C ATOM 432 CD GLN A 324 5.520 -2.284 -3.690 1.00 15.00 C ATOM 433 OE1 GLN A 324 6.563 -2.843 -3.344 1.00 15.00 O ATOM 434 NE2 GLN A 324 4.993 -2.454 -4.894 1.00 15.00 N ATOM 0 H GLN A 324 1.439 -0.693 -2.642 1.00 15.00 H new ATOM 0 HA GLN A 324 2.719 -3.185 -3.523 1.00 15.00 H new ATOM 0 HB2 GLN A 324 3.423 -1.477 -1.084 1.00 15.00 H new ATOM 0 HB3 GLN A 324 4.175 -3.005 -1.495 1.00 15.00 H new ATOM 0 HG2 GLN A 324 4.284 -0.581 -3.305 1.00 15.00 H new ATOM 0 HG3 GLN A 324 5.477 -0.899 -2.061 1.00 15.00 H new ATOM 0 HE21 GLN A 324 4.128 -1.975 -5.145 1.00 15.00 H new ATOM 0 HE22 GLN A 324 5.452 -3.064 -5.570 1.00 15.00 H new ATOM 443 N PHE A 325 0.903 -4.321 -2.176 1.00 15.00 N ATOM 444 CA PHE A 325 0.332 -5.300 -1.242 1.00 15.00 C ATOM 445 C PHE A 325 1.466 -6.023 -0.571 1.00 15.00 C ATOM 446 O PHE A 325 1.294 -6.830 0.337 1.00 15.00 O ATOM 447 CB PHE A 325 -0.609 -6.284 -1.913 1.00 15.00 C ATOM 448 CG PHE A 325 -2.033 -5.885 -1.725 1.00 15.00 C ATOM 449 CD1 PHE A 325 -2.438 -5.254 -0.551 1.00 15.00 C ATOM 450 CD2 PHE A 325 -2.960 -6.112 -2.722 1.00 15.00 C ATOM 451 CE1 PHE A 325 -3.754 -4.861 -0.398 1.00 15.00 C ATOM 452 CE2 PHE A 325 -4.273 -5.728 -2.566 1.00 15.00 C ATOM 453 CZ PHE A 325 -4.672 -5.099 -1.404 1.00 15.00 C ATOM 0 H PHE A 325 0.767 -4.540 -3.163 1.00 15.00 H new ATOM 0 HA PHE A 325 -0.274 -4.764 -0.511 1.00 15.00 H new ATOM 0 HB2 PHE A 325 -0.382 -6.339 -2.978 1.00 15.00 H new ATOM 0 HB3 PHE A 325 -0.451 -7.281 -1.501 1.00 15.00 H new ATOM 0 HD1 PHE A 325 -1.724 -5.072 0.239 1.00 15.00 H new ATOM 0 HD2 PHE A 325 -2.652 -6.597 -3.636 1.00 15.00 H new ATOM 0 HE1 PHE A 325 -4.066 -4.367 0.510 1.00 15.00 H new ATOM 0 HE2 PHE A 325 -4.989 -5.919 -3.351 1.00 15.00 H new ATOM 0 HZ PHE A 325 -5.700 -4.793 -1.281 1.00 15.00 H new ATOM 463 N THR A 326 2.624 -5.752 -1.112 1.00 15.00 N ATOM 464 CA THR A 326 3.864 -6.237 -0.554 1.00 15.00 C ATOM 465 C THR A 326 4.190 -5.315 0.601 1.00 15.00 C ATOM 466 O THR A 326 4.861 -4.294 0.428 1.00 15.00 O ATOM 467 CB THR A 326 5.015 -6.188 -1.584 1.00 15.00 C ATOM 468 OG1 THR A 326 4.575 -6.698 -2.849 1.00 15.00 O ATOM 469 CG2 THR A 326 6.205 -7.004 -1.102 1.00 15.00 C ATOM 0 H THR A 326 2.737 -5.188 -1.954 1.00 15.00 H new ATOM 0 HA THR A 326 3.756 -7.277 -0.245 1.00 15.00 H new ATOM 0 HB THR A 326 5.319 -5.147 -1.697 1.00 15.00 H new ATOM 0 HG1 THR A 326 5.314 -6.659 -3.492 1.00 15.00 H new ATOM 0 HG21 THR A 326 7.003 -6.955 -1.843 1.00 15.00 H new ATOM 0 HG22 THR A 326 6.563 -6.600 -0.155 1.00 15.00 H new ATOM 0 HG23 THR A 326 5.902 -8.042 -0.963 1.00 15.00 H new ATOM 477 N ASP A 327 3.704 -5.658 1.769 1.00 15.00 N ATOM 478 CA ASP A 327 3.661 -4.709 2.844 1.00 15.00 C ATOM 479 C ASP A 327 4.638 -4.988 3.931 1.00 15.00 C ATOM 480 O ASP A 327 5.021 -6.125 4.215 1.00 15.00 O ATOM 481 CB ASP A 327 2.275 -4.560 3.453 1.00 15.00 C ATOM 482 CG ASP A 327 1.523 -5.867 3.646 1.00 15.00 C ATOM 483 OD1 ASP A 327 2.080 -6.774 4.297 1.00 15.00 O1- ATOM 484 OD2 ASP A 327 0.369 -5.976 3.185 1.00 15.00 O ATOM 0 H ASP A 327 3.336 -6.582 1.995 1.00 15.00 H new ATOM 0 HA ASP A 327 3.942 -3.770 2.367 1.00 15.00 H new ATOM 0 HB2 ASP A 327 2.369 -4.064 4.419 1.00 15.00 H new ATOM 0 HB3 ASP A 327 1.681 -3.905 2.815 1.00 15.00 H new ATOM 489 N PRO A 328 5.044 -3.898 4.554 1.00 15.00 N ATOM 490 CA PRO A 328 5.799 -3.918 5.779 1.00 15.00 C ATOM 491 C PRO A 328 4.876 -4.425 6.891 1.00 15.00 C ATOM 492 O PRO A 328 5.308 -4.770 7.990 1.00 15.00 O ATOM 493 CB PRO A 328 6.231 -2.447 5.959 1.00 15.00 C ATOM 494 CG PRO A 328 5.884 -1.774 4.656 1.00 15.00 C ATOM 495 CD PRO A 328 4.724 -2.526 4.136 1.00 15.00 C ATOM 0 HA PRO A 328 6.671 -4.572 5.788 1.00 15.00 H new ATOM 0 HB2 PRO A 328 5.708 -1.982 6.795 1.00 15.00 H new ATOM 0 HB3 PRO A 328 7.298 -2.372 6.170 1.00 15.00 H new ATOM 0 HG2 PRO A 328 5.638 -0.723 4.808 1.00 15.00 H new ATOM 0 HG3 PRO A 328 6.721 -1.808 3.959 1.00 15.00 H new ATOM 0 HD2 PRO A 328 3.785 -2.177 4.564 1.00 15.00 H new ATOM 0 HD3 PRO A 328 4.632 -2.439 3.053 1.00 15.00 H new ATOM 503 N ARG A 329 3.571 -4.427 6.566 1.00 15.00 N ATOM 504 CA ARG A 329 2.525 -4.963 7.430 1.00 15.00 C ATOM 505 C ARG A 329 2.739 -6.444 7.728 1.00 15.00 C ATOM 506 O ARG A 329 2.462 -6.897 8.835 1.00 15.00 O ATOM 507 CB ARG A 329 1.127 -4.760 6.806 1.00 15.00 C ATOM 508 CG ARG A 329 0.495 -3.434 7.187 1.00 15.00 C ATOM 509 CD ARG A 329 0.253 -3.345 8.686 1.00 15.00 C ATOM 510 NE ARG A 329 -0.535 -4.476 9.186 1.00 15.00 N ATOM 511 CZ ARG A 329 -1.020 -4.557 10.426 1.00 15.00 C ATOM 512 NH1 ARG A 329 -0.829 -3.560 11.282 1.00 15.00 N1+ ATOM 513 NH2 ARG A 329 -1.706 -5.630 10.807 1.00 15.00 N ATOM 0 H ARG A 329 3.218 -4.051 5.686 1.00 15.00 H new ATOM 0 HA ARG A 329 2.581 -4.411 8.368 1.00 15.00 H new ATOM 0 HB2 ARG A 329 1.207 -4.819 5.721 1.00 15.00 H new ATOM 0 HB3 ARG A 329 0.473 -5.572 7.122 1.00 15.00 H new ATOM 0 HG2 ARG A 329 1.144 -2.616 6.872 1.00 15.00 H new ATOM 0 HG3 ARG A 329 -0.450 -3.314 6.657 1.00 15.00 H new ATOM 0 HD2 ARG A 329 1.210 -3.313 9.206 1.00 15.00 H new ATOM 0 HD3 ARG A 329 -0.265 -2.414 8.914 1.00 15.00 H new ATOM 0 HE ARG A 329 -0.724 -5.248 8.547 1.00 15.00 H new ATOM 0 HH11 ARG A 329 -0.311 -2.731 10.992 1.00 15.00 H new ATOM 0 HH12 ARG A 329 -1.200 -3.623 12.230 1.00 15.00 H new ATOM 0 HH21 ARG A 329 -1.863 -6.395 10.150 1.00 15.00 H new ATOM 0 HH22 ARG A 329 -2.075 -5.689 11.756 1.00 15.00 H new ATOM 645 N PRO B 207 -3.368 -9.007 -6.896 1.00 15.00 N ATOM 646 CA PRO B 207 -3.265 -7.715 -7.573 1.00 15.00 C ATOM 647 C PRO B 207 -3.821 -6.563 -6.737 1.00 15.00 C ATOM 648 O PRO B 207 -4.995 -6.566 -6.357 1.00 15.00 O ATOM 649 CB PRO B 207 -4.130 -7.904 -8.825 1.00 15.00 C ATOM 650 CG PRO B 207 -4.207 -9.379 -9.061 1.00 15.00 C ATOM 651 CD PRO B 207 -3.882 -10.065 -7.759 1.00 15.00 C ATOM 0 HA PRO B 207 -2.227 -7.452 -7.774 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -5.124 -7.481 -8.679 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -3.690 -7.395 -9.683 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -5.202 -9.661 -9.404 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -3.505 -9.680 -9.838 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -4.767 -10.532 -7.327 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -3.143 -10.853 -7.901 1.00 15.00 H new ATOM 659 N PRO B 208 -2.968 -5.574 -6.418 1.00 15.00 N ATOM 660 CA PRO B 208 -3.355 -4.423 -5.611 1.00 15.00 C ATOM 661 C PRO B 208 -4.062 -3.322 -6.407 1.00 15.00 C ATOM 662 O PRO B 208 -3.948 -3.247 -7.635 1.00 15.00 O ATOM 663 CB PRO B 208 -2.020 -3.900 -5.056 1.00 15.00 C ATOM 664 CG PRO B 208 -0.944 -4.775 -5.619 1.00 15.00 C ATOM 665 CD PRO B 208 -1.546 -5.519 -6.774 1.00 15.00 C ATOM 0 HA PRO B 208 -4.076 -4.712 -4.847 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -1.863 -2.860 -5.344 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -2.015 -3.934 -3.967 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -0.093 -4.178 -5.946 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -0.575 -5.468 -4.863 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -1.385 -4.999 -7.718 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -1.117 -6.515 -6.882 1.00 15.00 H new ATOM 673 N PRO B 209 -4.796 -2.458 -5.680 1.00 15.00 N ATOM 674 CA PRO B 209 -5.485 -1.283 -6.233 1.00 15.00 C ATOM 675 C PRO B 209 -4.598 -0.423 -7.139 1.00 15.00 C ATOM 676 O PRO B 209 -3.454 -0.131 -6.794 1.00 15.00 O ATOM 677 CB PRO B 209 -5.847 -0.454 -4.993 1.00 15.00 C ATOM 678 CG PRO B 209 -5.640 -1.319 -3.798 1.00 15.00 C ATOM 679 CD PRO B 209 -5.057 -2.625 -4.246 1.00 15.00 C ATOM 0 HA PRO B 209 -6.328 -1.597 -6.849 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -5.223 0.438 -4.933 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -6.882 -0.116 -5.047 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.972 -0.830 -3.089 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.586 -1.484 -3.283 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.140 -2.854 -3.703 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.749 -3.448 -4.065 1.00 15.00 H new ATOM 687 N PRO B 210 -5.142 0.019 -8.292 1.00 15.00 N ATOM 688 CA PRO B 210 -4.440 0.922 -9.224 1.00 15.00 C ATOM 689 C PRO B 210 -3.948 2.190 -8.526 1.00 15.00 C ATOM 690 O PRO B 210 -4.548 2.638 -7.543 1.00 15.00 O ATOM 691 CB PRO B 210 -5.518 1.268 -10.256 1.00 15.00 C ATOM 692 CG PRO B 210 -6.476 0.132 -10.203 1.00 15.00 C ATOM 693 CD PRO B 210 -6.491 -0.328 -8.773 1.00 15.00 C ATOM 0 HA PRO B 210 -3.550 0.462 -9.654 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -6.009 2.211 -10.014 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -5.090 1.378 -11.253 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -7.470 0.444 -10.523 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -6.165 -0.673 -10.869 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -7.266 0.177 -8.196 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -6.683 -1.398 -8.697 1.00 15.00 H new ATOM 701 N TYR B 211 -2.884 2.797 -9.050 1.00 15.00 N ATOM 702 CA TYR B 211 -2.253 3.909 -8.357 1.00 15.00 C ATOM 703 C TYR B 211 -3.057 5.200 -8.458 1.00 15.00 C ATOM 704 O TYR B 211 -2.971 5.949 -9.435 1.00 15.00 O ATOM 705 CB TYR B 211 -0.806 4.156 -8.817 1.00 15.00 C ATOM 706 CG TYR B 211 -0.146 5.340 -8.115 1.00 15.00 C ATOM 707 CD1 TYR B 211 -0.527 5.717 -6.828 1.00 15.00 C ATOM 708 CD2 TYR B 211 0.844 6.093 -8.740 1.00 15.00 C ATOM 709 CE1 TYR B 211 0.052 6.798 -6.196 1.00 15.00 C ATOM 710 CE2 TYR B 211 1.429 7.174 -8.098 1.00 15.00 C ATOM 711 CZ TYR B 211 1.030 7.516 -6.838 1.00 15.00 C ATOM 712 OH TYR B 211 1.607 8.595 -6.220 1.00 15.00 O ATOM 0 H TYR B 211 -2.450 2.540 -9.937 1.00 15.00 H new ATOM 0 HA TYR B 211 -2.227 3.607 -7.310 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -0.215 3.258 -8.635 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -0.798 4.329 -9.893 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -1.291 5.151 -6.315 1.00 15.00 H new ATOM 0 HD2 TYR B 211 1.161 5.832 -9.739 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.263 7.078 -5.201 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.200 7.745 -8.594 1.00 15.00 H new ATOM 0 HH TYR B 211 1.847 8.356 -5.301 1.00 15.00 H new ATOM 722 N SER B 212 -3.877 5.401 -7.453 1.00 15.00 N ATOM 723 CA SER B 212 -4.340 6.716 -7.080 1.00 15.00 C ATOM 724 C SER B 212 -3.565 7.060 -5.821 1.00 15.00 C ATOM 725 O SER B 212 -3.231 6.145 -5.070 1.00 15.00 O ATOM 726 CB SER B 212 -5.846 6.685 -6.812 1.00 15.00 C ATOM 727 OG SER B 212 -6.533 6.069 -7.889 1.00 15.00 O ATOM 0 H SER B 212 -4.244 4.651 -6.867 1.00 15.00 H new ATOM 0 HA SER B 212 -4.179 7.456 -7.864 1.00 15.00 H new ATOM 0 HB2 SER B 212 -6.045 6.142 -5.888 1.00 15.00 H new ATOM 0 HB3 SER B 212 -6.216 7.700 -6.671 1.00 15.00 H new ATOM 0 HG SER B 212 -7.494 6.057 -7.699 1.00 15.00 H new ATOM 733 N ARG B 213 -3.269 8.331 -5.565 1.00 15.00 N ATOM 734 CA ARG B 213 -2.406 8.653 -4.430 1.00 15.00 C ATOM 735 C ARG B 213 -3.044 8.146 -3.152 1.00 15.00 C ATOM 736 O ARG B 213 -2.460 7.347 -2.420 1.00 15.00 O ATOM 737 CB ARG B 213 -2.166 10.159 -4.272 1.00 15.00 C ATOM 738 CG ARG B 213 -1.567 10.852 -5.466 1.00 15.00 C ATOM 739 CD ARG B 213 -1.060 12.243 -5.114 1.00 15.00 C ATOM 740 NE ARG B 213 -2.141 13.135 -4.701 1.00 15.00 N ATOM 741 CZ ARG B 213 -2.025 14.063 -3.750 1.00 15.00 C ATOM 742 NH1 ARG B 213 -0.865 14.248 -3.126 1.00 15.00 N1+ ATOM 743 NH2 ARG B 213 -3.070 14.809 -3.426 1.00 15.00 N ATOM 0 H ARG B 213 -3.599 9.130 -6.106 1.00 15.00 H new ATOM 0 HA ARG B 213 -1.446 8.173 -4.621 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -3.117 10.637 -4.036 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -1.509 10.316 -3.416 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -0.745 10.254 -5.859 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -2.314 10.926 -6.256 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -0.326 12.168 -4.312 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -0.548 12.670 -5.976 1.00 15.00 H new ATOM 0 HE ARG B 213 -3.042 13.042 -5.170 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -0.056 13.678 -3.374 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -0.784 14.960 -2.400 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -3.961 14.673 -3.903 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -2.984 15.519 -2.699 1.00 15.00 H new ATOM 757 N TYR B 214 -4.233 8.649 -2.879 1.00 15.00 N ATOM 758 CA TYR B 214 -4.977 8.253 -1.704 1.00 15.00 C ATOM 759 C TYR B 214 -6.313 7.653 -2.120 1.00 15.00 C ATOM 760 O TYR B 214 -7.328 8.346 -2.181 1.00 15.00 O ATOM 761 CB TYR B 214 -5.147 9.461 -0.766 1.00 15.00 C ATOM 762 CG TYR B 214 -3.844 10.218 -0.567 1.00 15.00 C ATOM 763 CD1 TYR B 214 -3.324 11.020 -1.580 1.00 15.00 C ATOM 764 CD2 TYR B 214 -3.108 10.092 0.604 1.00 15.00 C ATOM 765 CE1 TYR B 214 -2.118 11.667 -1.439 1.00 15.00 C ATOM 766 CE2 TYR B 214 -1.898 10.748 0.758 1.00 15.00 C ATOM 767 CZ TYR B 214 -1.409 11.530 -0.266 1.00 15.00 C ATOM 768 OH TYR B 214 -0.195 12.160 -0.116 1.00 15.00 O ATOM 0 H TYR B 214 -4.706 9.339 -3.463 1.00 15.00 H new ATOM 0 HA TYR B 214 -4.431 7.486 -1.155 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -5.898 10.135 -1.177 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.519 9.120 0.200 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -3.881 11.137 -2.498 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -3.484 9.474 1.406 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -1.730 12.277 -2.241 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -1.340 10.647 1.677 1.00 15.00 H new ATOM 0 HH TYR B 214 0.462 11.524 0.236 1.00 15.00 H new ATOM 778 N PRO B 215 -6.303 6.368 -2.491 1.00 15.00 N ATOM 779 CA PRO B 215 -7.496 5.671 -2.960 1.00 15.00 C ATOM 780 C PRO B 215 -8.398 5.227 -1.813 1.00 15.00 C ATOM 781 O PRO B 215 -8.078 4.291 -1.090 1.00 15.00 O ATOM 782 CB PRO B 215 -6.919 4.461 -3.699 1.00 15.00 C ATOM 783 CG PRO B 215 -5.620 4.182 -3.015 1.00 15.00 C ATOM 784 CD PRO B 215 -5.113 5.496 -2.492 1.00 15.00 C ATOM 0 HA PRO B 215 -8.129 6.305 -3.580 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -7.590 3.604 -3.639 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.771 4.677 -4.757 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -5.757 3.469 -2.202 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.905 3.740 -3.709 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.695 5.392 -1.491 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -4.324 5.900 -3.127 1.00 15.00 H new