USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 369 hydrogens (2 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 305 THR OG1 : rot -74:sc= 1.4 USER MOD Set 1.2: A 307 GLN : amide:sc= 0.147 K(o=1.6,f=0.7) USER MOD Set 2.1: A 291 THR OG1 : rot 93:sc= 1.42 USER MOD Set 2.2: A 293 SER OG : rot 180:sc= 0.495 USER MOD Single : A 290 SER OG : rot 167:sc= 1.33 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.59 USER MOD Single : A 301 HIS :FLIP no HE2:sc= -9.24! C(o=-14!,f=-9.2!) USER MOD Single : A 302 ASN : amide:sc= 0.0202 X(o=0.02,f=0) USER MOD Single : A 303 ASN :FLIP amide:sc=-0.00496 F(o=-2.4!,f=-0.005) USER MOD Single : A 306 THR OG1 : rot 31:sc= 0.0751 USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= -3.05! USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -16.554 5.354 -3.268 1.00 15.00 N ATOM 2 CA LEU A 279 -16.362 5.485 -1.807 1.00 15.00 C ATOM 3 C LEU A 279 -15.011 4.910 -1.411 1.00 15.00 C ATOM 4 O LEU A 279 -14.660 3.800 -1.811 1.00 15.00 O ATOM 5 CB LEU A 279 -17.490 4.776 -1.029 1.00 15.00 C ATOM 6 CG LEU A 279 -17.560 3.245 -1.155 1.00 15.00 C ATOM 7 CD1 LEU A 279 -18.414 2.664 -0.038 1.00 15.00 C ATOM 8 CD2 LEU A 279 -18.125 2.826 -2.505 1.00 15.00 C ATOM 0 HA LEU A 279 -16.393 6.544 -1.552 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -17.384 5.026 0.027 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -18.443 5.188 -1.360 1.00 15.00 H new ATOM 0 HG LEU A 279 -16.544 2.857 -1.074 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -18.456 1.579 -0.138 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -17.977 2.923 0.926 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -19.422 3.073 -0.101 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -18.161 1.738 -2.562 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -19.131 3.229 -2.619 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -17.488 3.210 -3.301 1.00 15.00 H new ATOM 22 N GLY A 280 -14.255 5.663 -0.626 1.00 15.00 N ATOM 23 CA GLY A 280 -12.942 5.209 -0.223 1.00 15.00 C ATOM 24 C GLY A 280 -12.407 5.936 0.993 1.00 15.00 C ATOM 25 O GLY A 280 -11.858 7.032 0.872 1.00 15.00 O ATOM 0 H GLY A 280 -14.526 6.577 -0.263 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -12.983 4.141 -0.011 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -12.248 5.342 -1.053 1.00 15.00 H new ATOM 29 N PRO A 281 -12.557 5.350 2.187 1.00 15.00 N ATOM 30 CA PRO A 281 -12.021 5.911 3.414 1.00 15.00 C ATOM 31 C PRO A 281 -10.609 5.403 3.714 1.00 15.00 C ATOM 32 O PRO A 281 -10.400 4.212 3.949 1.00 15.00 O ATOM 33 CB PRO A 281 -13.012 5.419 4.469 1.00 15.00 C ATOM 34 CG PRO A 281 -13.588 4.146 3.923 1.00 15.00 C ATOM 35 CD PRO A 281 -13.281 4.096 2.443 1.00 15.00 C ATOM 0 HA PRO A 281 -11.922 6.996 3.371 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -12.514 5.246 5.423 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.794 6.158 4.647 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -13.158 3.283 4.432 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -14.664 4.111 4.091 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -12.674 3.226 2.190 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -14.192 4.033 1.848 1.00 15.00 H new ATOM 43 N LEU A 282 -9.637 6.303 3.680 1.00 15.00 N ATOM 44 CA LEU A 282 -8.256 5.933 3.956 1.00 15.00 C ATOM 45 C LEU A 282 -7.897 6.266 5.399 1.00 15.00 C ATOM 46 O LEU A 282 -7.911 7.431 5.798 1.00 15.00 O ATOM 47 CB LEU A 282 -7.298 6.653 3.004 1.00 15.00 C ATOM 48 CG LEU A 282 -5.840 6.188 3.079 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.711 4.759 2.577 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.936 7.120 2.286 1.00 15.00 C ATOM 0 H LEU A 282 -9.778 7.290 3.465 1.00 15.00 H new ATOM 0 HA LEU A 282 -8.157 4.859 3.802 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.655 6.518 1.983 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.334 7.722 3.216 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.524 6.216 4.122 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.669 4.445 2.637 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.325 4.101 3.192 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.047 4.705 1.541 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.905 6.771 2.353 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.249 7.129 1.242 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -5.005 8.128 2.694 1.00 15.00 H new ATOM 62 N PRO A 283 -7.591 5.243 6.203 1.00 15.00 N ATOM 63 CA PRO A 283 -7.206 5.423 7.605 1.00 15.00 C ATOM 64 C PRO A 283 -5.841 6.095 7.743 1.00 15.00 C ATOM 65 O PRO A 283 -4.883 5.713 7.066 1.00 15.00 O ATOM 66 CB PRO A 283 -7.150 3.988 8.157 1.00 15.00 C ATOM 67 CG PRO A 283 -7.822 3.137 7.131 1.00 15.00 C ATOM 68 CD PRO A 283 -7.598 3.826 5.821 1.00 15.00 C ATOM 0 HA PRO A 283 -7.905 6.068 8.137 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.120 3.669 8.317 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.658 3.918 9.119 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.402 2.131 7.121 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.886 3.036 7.343 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.657 3.525 5.360 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.389 3.603 5.105 1.00 15.00 H new ATOM 76 N PRO A 284 -5.733 7.105 8.622 1.00 15.00 N ATOM 77 CA PRO A 284 -4.466 7.792 8.887 1.00 15.00 C ATOM 78 C PRO A 284 -3.393 6.824 9.375 1.00 15.00 C ATOM 79 O PRO A 284 -3.579 6.124 10.370 1.00 15.00 O ATOM 80 CB PRO A 284 -4.817 8.811 9.982 1.00 15.00 C ATOM 81 CG PRO A 284 -6.114 8.347 10.551 1.00 15.00 C ATOM 82 CD PRO A 284 -6.832 7.659 9.426 1.00 15.00 C ATOM 0 HA PRO A 284 -4.056 8.256 7.990 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.042 8.848 10.748 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -4.906 9.816 9.570 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -5.953 7.666 11.387 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.697 9.186 10.931 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.499 6.878 9.791 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.442 8.356 8.851 1.00 15.00 H new ATOM 90 N GLY A 285 -2.276 6.786 8.667 1.00 15.00 N ATOM 91 CA GLY A 285 -1.224 5.842 8.990 1.00 15.00 C ATOM 92 C GLY A 285 -0.955 4.886 7.849 1.00 15.00 C ATOM 93 O GLY A 285 -0.032 4.072 7.910 1.00 15.00 O ATOM 0 H GLY A 285 -2.077 7.393 7.872 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.310 6.385 9.232 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.504 5.277 9.879 1.00 15.00 H new ATOM 97 N TRP A 286 -1.779 4.979 6.816 1.00 15.00 N ATOM 98 CA TRP A 286 -1.617 4.169 5.619 1.00 15.00 C ATOM 99 C TRP A 286 -0.737 4.874 4.608 1.00 15.00 C ATOM 100 O TRP A 286 -1.107 5.918 4.065 1.00 15.00 O ATOM 101 CB TRP A 286 -2.987 3.876 4.982 1.00 15.00 C ATOM 102 CG TRP A 286 -3.715 2.725 5.602 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.889 2.483 6.935 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.358 1.647 4.908 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.582 1.314 7.114 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.879 0.779 5.888 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.542 1.321 3.552 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.560 -0.392 5.561 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.208 0.155 3.239 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.706 -0.691 4.235 1.00 15.00 C ATOM 0 H TRP A 286 -2.575 5.615 6.784 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.143 3.232 5.910 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.609 4.768 5.057 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -2.846 3.674 3.920 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.533 3.120 7.731 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.836 0.908 8.015 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.170 1.970 2.773 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.958 -1.040 6.328 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.348 -0.111 2.202 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.216 -1.599 3.951 1.00 15.00 H new ATOM 121 N GLU A 287 0.430 4.307 4.371 1.00 15.00 N ATOM 122 CA GLU A 287 1.297 4.781 3.321 1.00 15.00 C ATOM 123 C GLU A 287 0.990 3.991 2.060 1.00 15.00 C ATOM 124 O GLU A 287 1.070 2.764 2.060 1.00 15.00 O ATOM 125 CB GLU A 287 2.764 4.612 3.740 1.00 15.00 C ATOM 126 CG GLU A 287 3.302 5.753 4.595 1.00 15.00 C ATOM 127 CD GLU A 287 2.592 5.896 5.931 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.857 5.073 6.836 1.00 15.00 O1- ATOM 129 OE2 GLU A 287 1.784 6.837 6.085 1.00 15.00 O ATOM 0 H GLU A 287 0.797 3.514 4.897 1.00 15.00 H new ATOM 0 HA GLU A 287 1.129 5.841 3.132 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.868 3.678 4.292 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.379 4.522 2.844 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.365 5.593 4.773 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.208 6.687 4.041 1.00 15.00 H new ATOM 136 N VAL A 288 0.585 4.666 0.998 1.00 15.00 N ATOM 137 CA VAL A 288 0.266 3.952 -0.224 1.00 15.00 C ATOM 138 C VAL A 288 1.516 3.838 -1.092 1.00 15.00 C ATOM 139 O VAL A 288 2.020 4.813 -1.647 1.00 15.00 O ATOM 140 CB VAL A 288 -0.935 4.571 -1.007 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.046 4.971 -0.052 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.554 5.758 -1.875 1.00 15.00 C ATOM 0 H VAL A 288 0.472 5.679 0.956 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.066 2.952 0.056 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.283 3.789 -1.681 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.874 5.400 -0.616 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.394 4.092 0.490 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.669 5.709 0.656 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.440 6.133 -2.387 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.135 6.546 -1.250 1.00 15.00 H new ATOM 0 HG23 VAL A 288 0.187 5.447 -2.612 1.00 15.00 H new ATOM 152 N ARG A 289 2.069 2.645 -1.161 1.00 15.00 N ATOM 153 CA ARG A 289 3.280 2.453 -1.924 1.00 15.00 C ATOM 154 C ARG A 289 2.900 1.988 -3.324 1.00 15.00 C ATOM 155 O ARG A 289 2.630 0.818 -3.553 1.00 15.00 O ATOM 156 CB ARG A 289 4.223 1.475 -1.194 1.00 15.00 C ATOM 157 CG ARG A 289 5.709 1.725 -1.449 1.00 15.00 C ATOM 158 CD ARG A 289 6.120 1.388 -2.872 1.00 15.00 C ATOM 159 NE ARG A 289 7.514 1.749 -3.140 1.00 15.00 N ATOM 160 CZ ARG A 289 8.505 0.866 -3.299 1.00 15.00 C ATOM 161 NH1 ARG A 289 8.295 -0.429 -3.089 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.719 1.286 -3.629 1.00 15.00 N ATOM 0 H ARG A 289 1.705 1.808 -0.706 1.00 15.00 H new ATOM 0 HA ARG A 289 3.832 3.388 -2.020 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.035 1.539 -0.122 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.980 0.458 -1.500 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.938 2.771 -1.246 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.299 1.129 -0.753 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.982 0.321 -3.046 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.469 1.912 -3.571 1.00 15.00 H new ATOM 0 HE ARG A 289 7.744 2.740 -3.210 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.372 -0.756 -2.804 1.00 15.00 H new ATOM 0 HH12 ARG A 289 9.057 -1.096 -3.213 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.896 2.282 -3.761 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.476 0.613 -3.751 1.00 15.00 H new ATOM 176 N SER A 290 2.779 2.939 -4.235 1.00 15.00 N ATOM 177 CA SER A 290 2.363 2.648 -5.594 1.00 15.00 C ATOM 178 C SER A 290 3.558 2.650 -6.539 1.00 15.00 C ATOM 179 O SER A 290 4.179 3.682 -6.778 1.00 15.00 O ATOM 180 CB SER A 290 1.320 3.674 -6.029 1.00 15.00 C ATOM 181 OG SER A 290 1.565 4.921 -5.402 1.00 15.00 O ATOM 0 H SER A 290 2.965 3.926 -4.055 1.00 15.00 H new ATOM 0 HA SER A 290 1.921 1.652 -5.630 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.346 3.793 -7.112 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.322 3.320 -5.771 1.00 15.00 H new ATOM 0 HG SER A 290 1.031 5.617 -5.838 1.00 15.00 H new ATOM 187 N THR A 291 3.887 1.484 -7.057 1.00 15.00 N ATOM 188 CA THR A 291 5.040 1.346 -7.924 1.00 15.00 C ATOM 189 C THR A 291 4.652 1.556 -9.384 1.00 15.00 C ATOM 190 O THR A 291 3.513 1.280 -9.781 1.00 15.00 O ATOM 191 CB THR A 291 5.728 -0.015 -7.730 1.00 15.00 C ATOM 192 OG1 THR A 291 4.798 -1.084 -7.950 1.00 15.00 O ATOM 193 CG2 THR A 291 6.299 -0.111 -6.323 1.00 15.00 C ATOM 0 H THR A 291 3.373 0.619 -6.893 1.00 15.00 H new ATOM 0 HA THR A 291 5.755 2.121 -7.648 1.00 15.00 H new ATOM 0 HB THR A 291 6.538 -0.101 -8.455 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.847 -1.373 -8.885 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.785 -1.078 -6.193 1.00 15.00 H new ATOM 0 HG22 THR A 291 7.028 0.685 -6.171 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.494 -0.009 -5.596 1.00 15.00 H new ATOM 201 N VAL A 292 5.608 2.058 -10.167 1.00 15.00 N ATOM 202 CA VAL A 292 5.371 2.480 -11.548 1.00 15.00 C ATOM 203 C VAL A 292 4.859 1.330 -12.428 1.00 15.00 C ATOM 204 O VAL A 292 4.337 1.556 -13.520 1.00 15.00 O ATOM 205 CB VAL A 292 6.662 3.068 -12.163 1.00 15.00 C ATOM 206 CG1 VAL A 292 6.379 3.742 -13.498 1.00 15.00 C ATOM 207 CG2 VAL A 292 7.312 4.051 -11.199 1.00 15.00 C ATOM 0 H VAL A 292 6.572 2.184 -9.860 1.00 15.00 H new ATOM 0 HA VAL A 292 4.597 3.246 -11.517 1.00 15.00 H new ATOM 0 HB VAL A 292 7.353 2.244 -12.342 1.00 15.00 H new ATOM 0 HG11 VAL A 292 7.306 4.146 -13.906 1.00 15.00 H new ATOM 0 HG12 VAL A 292 5.964 3.012 -14.193 1.00 15.00 H new ATOM 0 HG13 VAL A 292 5.664 4.552 -13.352 1.00 15.00 H new ATOM 0 HG21 VAL A 292 8.219 4.455 -11.648 1.00 15.00 H new ATOM 0 HG22 VAL A 292 6.619 4.865 -10.987 1.00 15.00 H new ATOM 0 HG23 VAL A 292 7.564 3.538 -10.271 1.00 15.00 H new ATOM 217 N SER A 293 4.995 0.099 -11.940 1.00 15.00 N ATOM 218 CA SER A 293 4.438 -1.070 -12.615 1.00 15.00 C ATOM 219 C SER A 293 2.912 -0.968 -12.739 1.00 15.00 C ATOM 220 O SER A 293 2.287 -1.716 -13.491 1.00 15.00 O ATOM 221 CB SER A 293 4.840 -2.352 -11.883 1.00 15.00 C ATOM 222 OG SER A 293 4.560 -2.271 -10.493 1.00 15.00 O ATOM 0 H SER A 293 5.490 -0.115 -11.074 1.00 15.00 H new ATOM 0 HA SER A 293 4.849 -1.104 -13.624 1.00 15.00 H new ATOM 0 HB2 SER A 293 4.307 -3.200 -12.313 1.00 15.00 H new ATOM 0 HB3 SER A 293 5.904 -2.537 -12.030 1.00 15.00 H new ATOM 0 HG SER A 293 4.827 -3.107 -10.056 1.00 15.00 H new ATOM 228 N GLY A 294 2.322 -0.043 -11.986 1.00 15.00 N ATOM 229 CA GLY A 294 0.888 0.155 -12.030 1.00 15.00 C ATOM 230 C GLY A 294 0.159 -0.697 -11.017 1.00 15.00 C ATOM 231 O GLY A 294 -0.849 -1.329 -11.329 1.00 15.00 O ATOM 0 H GLY A 294 2.817 0.575 -11.343 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.663 1.206 -11.847 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.522 -0.080 -13.029 1.00 15.00 H new ATOM 235 N ARG A 295 0.684 -0.721 -9.803 1.00 15.00 N ATOM 236 CA ARG A 295 0.062 -1.456 -8.713 1.00 15.00 C ATOM 237 C ARG A 295 0.171 -0.658 -7.419 1.00 15.00 C ATOM 238 O ARG A 295 1.247 -0.163 -7.073 1.00 15.00 O ATOM 239 CB ARG A 295 0.734 -2.826 -8.532 1.00 15.00 C ATOM 240 CG ARG A 295 2.202 -2.720 -8.157 1.00 15.00 C ATOM 241 CD ARG A 295 2.848 -4.072 -7.912 1.00 15.00 C ATOM 242 NE ARG A 295 4.243 -3.909 -7.491 1.00 15.00 N ATOM 243 CZ ARG A 295 5.110 -4.907 -7.316 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.741 -6.170 -7.480 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.365 -4.638 -6.975 1.00 15.00 N ATOM 0 H ARG A 295 1.544 -0.237 -9.546 1.00 15.00 H new ATOM 0 HA ARG A 295 -0.989 -1.610 -8.957 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.206 -3.384 -7.759 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.641 -3.396 -9.457 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.739 -2.205 -8.954 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.299 -2.108 -7.260 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.292 -4.613 -7.146 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.805 -4.672 -8.821 1.00 15.00 H new ATOM 0 HE ARG A 295 4.576 -2.960 -7.319 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.781 -6.391 -7.744 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.417 -6.921 -7.342 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.663 -3.671 -6.848 1.00 15.00 H new ATOM 0 HH22 ARG A 295 7.031 -5.399 -6.840 1.00 15.00 H new ATOM 259 N ILE A 296 -0.937 -0.516 -6.713 1.00 15.00 N ATOM 260 CA ILE A 296 -0.899 0.046 -5.377 1.00 15.00 C ATOM 261 C ILE A 296 -0.889 -1.111 -4.384 1.00 15.00 C ATOM 262 O ILE A 296 -1.588 -2.107 -4.576 1.00 15.00 O ATOM 263 CB ILE A 296 -2.086 1.016 -5.107 1.00 15.00 C ATOM 264 CG1 ILE A 296 -1.834 1.864 -3.848 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.402 0.256 -4.981 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.830 2.987 -3.671 1.00 15.00 C ATOM 0 H ILE A 296 -1.866 -0.780 -7.040 1.00 15.00 H new ATOM 0 HA ILE A 296 0.002 0.649 -5.266 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.161 1.687 -5.963 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.867 1.218 -2.971 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -0.829 2.284 -3.897 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.212 0.960 -4.793 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.599 -0.285 -5.906 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.336 -0.451 -4.154 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.593 3.544 -2.764 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -2.781 3.655 -4.531 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -3.835 2.573 -3.590 1.00 15.00 H new ATOM 278 N TYR A 297 -0.063 -1.007 -3.365 1.00 15.00 N ATOM 279 CA TYR A 297 0.117 -2.100 -2.427 1.00 15.00 C ATOM 280 C TYR A 297 0.461 -1.500 -1.094 1.00 15.00 C ATOM 281 O TYR A 297 1.292 -0.587 -1.003 1.00 15.00 O ATOM 282 CB TYR A 297 1.163 -3.131 -2.915 1.00 15.00 C ATOM 283 CG TYR A 297 2.620 -2.852 -2.591 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.326 -1.872 -3.267 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.297 -3.592 -1.622 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.656 -1.630 -2.987 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.626 -3.354 -1.341 1.00 15.00 C ATOM 288 CZ TYR A 297 5.299 -2.371 -2.025 1.00 15.00 C ATOM 289 OH TYR A 297 6.622 -2.125 -1.742 1.00 15.00 O ATOM 0 H TYR A 297 0.496 -0.178 -3.163 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.805 -2.674 -2.340 1.00 15.00 H new ATOM 0 HB2 TYR A 297 0.903 -4.101 -2.492 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.069 -3.220 -3.997 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.828 -1.287 -4.026 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.771 -4.365 -1.082 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.190 -0.860 -3.523 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.135 -3.937 -0.588 1.00 15.00 H new ATOM 0 HH TYR A 297 6.925 -2.735 -1.037 1.00 15.00 H new ATOM 299 N PHE A 298 -0.183 -1.981 -0.066 1.00 15.00 N ATOM 300 CA PHE A 298 -0.194 -1.259 1.156 1.00 15.00 C ATOM 301 C PHE A 298 0.915 -1.576 2.102 1.00 15.00 C ATOM 302 O PHE A 298 1.280 -2.727 2.331 1.00 15.00 O ATOM 303 CB PHE A 298 -1.528 -1.390 1.823 1.00 15.00 C ATOM 304 CG PHE A 298 -2.292 -0.192 1.481 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.879 1.018 1.992 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.366 -0.242 0.620 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.527 2.163 1.667 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.027 0.912 0.290 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.600 2.109 0.822 1.00 15.00 C ATOM 0 H PHE A 298 -0.699 -2.861 -0.058 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.015 -0.221 0.875 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -2.044 -2.288 1.482 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.413 -1.479 2.903 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.030 1.055 2.659 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.686 -1.187 0.207 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.199 3.109 2.072 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.874 0.884 -0.380 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.122 3.020 0.567 1.00 15.00 H new ATOM 319 N VAL A 299 1.415 -0.493 2.661 1.00 15.00 N ATOM 320 CA VAL A 299 2.480 -0.505 3.607 1.00 15.00 C ATOM 321 C VAL A 299 2.111 0.420 4.769 1.00 15.00 C ATOM 322 O VAL A 299 2.354 1.631 4.752 1.00 15.00 O ATOM 323 CB VAL A 299 3.792 -0.048 2.937 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.228 -1.043 1.874 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.606 1.314 2.292 1.00 15.00 C ATOM 0 H VAL A 299 1.070 0.444 2.453 1.00 15.00 H new ATOM 0 HA VAL A 299 2.634 -1.516 3.984 1.00 15.00 H new ATOM 0 HB VAL A 299 4.560 0.012 3.709 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.155 -0.701 1.414 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.389 -2.019 2.333 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.453 -1.124 1.112 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.539 1.625 1.823 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.822 1.255 1.537 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.323 2.041 3.053 1.00 15.00 H new ATOM 335 N ASP A 300 1.466 -0.134 5.761 1.00 15.00 N ATOM 336 CA ASP A 300 1.153 0.640 6.940 1.00 15.00 C ATOM 337 C ASP A 300 2.314 0.485 7.902 1.00 15.00 C ATOM 338 O ASP A 300 2.649 -0.623 8.317 1.00 15.00 O ATOM 339 CB ASP A 300 -0.197 0.206 7.545 1.00 15.00 C ATOM 340 CG ASP A 300 -0.103 -0.286 8.977 1.00 15.00 C ATOM 341 OD1 ASP A 300 0.097 0.548 9.890 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.218 -1.510 9.194 1.00 15.00 O ATOM 0 H ASP A 300 1.150 -1.103 5.781 1.00 15.00 H new ATOM 0 HA ASP A 300 1.030 1.696 6.698 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.888 1.048 7.506 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.623 -0.585 6.927 1.00 15.00 H new ATOM 347 N HIS A 301 2.985 1.593 8.192 1.00 15.00 N ATOM 348 CA HIS A 301 4.208 1.534 8.980 1.00 15.00 C ATOM 349 C HIS A 301 3.889 1.483 10.473 1.00 15.00 C ATOM 350 O HIS A 301 4.788 1.367 11.301 1.00 15.00 O ATOM 351 CB HIS A 301 5.126 2.741 8.727 1.00 15.00 C ATOM 352 CG HIS A 301 5.397 3.128 7.296 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.597 2.403 6.162 1.00 15.00 N flip ATOM 354 CD2 HIS A 301 5.643 4.431 6.946 1.00 15.00 C flip ATOM 355 CE1 HIS A 301 5.981 3.275 5.174 1.00 15.00 C flip ATOM 356 NE2 HIS A 301 5.988 4.491 5.683 1.00 15.00 N flip ATOM 0 H HIS A 301 2.708 2.530 7.898 1.00 15.00 H new ATOM 0 HA HIS A 301 4.725 0.626 8.669 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.691 3.604 9.231 1.00 15.00 H new ATOM 0 HB3 HIS A 301 6.084 2.540 9.207 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.482 1.394 6.064 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.564 5.279 7.610 1.00 15.00 H new ATOM 0 HE1 HIS A 301 6.233 3.011 4.158 1.00 15.00 H new ATOM 365 N ASN A 302 2.609 1.568 10.813 1.00 15.00 N ATOM 366 CA ASN A 302 2.191 1.656 12.207 1.00 15.00 C ATOM 367 C ASN A 302 1.923 0.274 12.782 1.00 15.00 C ATOM 368 O ASN A 302 2.617 -0.175 13.699 1.00 15.00 O ATOM 369 CB ASN A 302 0.941 2.531 12.342 1.00 15.00 C ATOM 370 CG ASN A 302 1.210 3.985 12.012 1.00 15.00 C ATOM 371 OD1 ASN A 302 1.561 4.776 12.886 1.00 15.00 O ATOM 372 ND2 ASN A 302 1.046 4.350 10.749 1.00 15.00 N ATOM 0 H ASN A 302 1.841 1.578 10.142 1.00 15.00 H new ATOM 0 HA ASN A 302 3.003 2.114 12.771 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.162 2.150 11.681 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.559 2.458 13.360 1.00 15.00 H new ATOM 0 HD21 ASN A 302 1.212 5.318 10.472 1.00 15.00 H new ATOM 0 HD22 ASN A 302 0.754 3.663 10.054 1.00 15.00 H new ATOM 379 N ASN A 303 0.915 -0.395 12.246 1.00 15.00 N ATOM 380 CA ASN A 303 0.590 -1.755 12.655 1.00 15.00 C ATOM 381 C ASN A 303 1.446 -2.746 11.865 1.00 15.00 C ATOM 382 O ASN A 303 1.566 -3.917 12.231 1.00 15.00 O ATOM 383 CB ASN A 303 -0.905 -2.027 12.439 1.00 15.00 C ATOM 384 CG ASN A 303 -1.354 -3.378 12.969 1.00 15.00 C ATOM 385 OD1 ASN A 303 -1.348 -4.385 12.110 1.00 15.00 O flip ATOM 386 ND2 ASN A 303 -1.726 -3.509 14.136 1.00 15.00 N flip ATOM 0 H ASN A 303 0.304 -0.017 11.522 1.00 15.00 H new ATOM 0 HA ASN A 303 0.806 -1.878 13.716 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.484 -1.243 12.927 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.127 -1.971 11.373 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -1.716 -2.708 14.768 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -2.044 -4.418 14.471 1.00 15.00 H new ATOM 393 N ARG A 304 2.026 -2.246 10.775 1.00 15.00 N ATOM 394 CA ARG A 304 2.917 -3.006 9.908 1.00 15.00 C ATOM 395 C ARG A 304 2.166 -4.121 9.185 1.00 15.00 C ATOM 396 O ARG A 304 2.113 -5.263 9.649 1.00 15.00 O ATOM 397 CB ARG A 304 4.120 -3.549 10.683 1.00 15.00 C ATOM 398 CG ARG A 304 5.408 -3.515 9.881 1.00 15.00 C ATOM 399 CD ARG A 304 6.630 -3.746 10.757 1.00 15.00 C ATOM 400 NE ARG A 304 6.481 -3.157 12.087 1.00 15.00 N ATOM 401 CZ ARG A 304 7.490 -2.964 12.935 1.00 15.00 C ATOM 402 NH1 ARG A 304 8.725 -3.321 12.607 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 7.256 -2.410 14.116 1.00 15.00 N ATOM 0 H ARG A 304 1.886 -1.284 10.467 1.00 15.00 H new ATOM 0 HA ARG A 304 3.301 -2.324 9.149 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.251 -2.966 11.595 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.915 -4.575 10.988 1.00 15.00 H new ATOM 0 HG2 ARG A 304 5.371 -4.277 9.102 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.498 -2.551 9.380 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.807 -4.817 10.855 1.00 15.00 H new ATOM 0 HD3 ARG A 304 7.508 -3.321 10.271 1.00 15.00 H new ATOM 0 HE ARG A 304 5.546 -2.876 12.384 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.908 -3.747 11.699 1.00 15.00 H new ATOM 0 HH12 ARG A 304 9.491 -3.169 13.263 1.00 15.00 H new ATOM 0 HH21 ARG A 304 6.308 -2.134 14.371 1.00 15.00 H new ATOM 0 HH22 ARG A 304 8.024 -2.259 14.770 1.00 15.00 H new ATOM 417 N THR A 305 1.538 -3.760 8.071 1.00 15.00 N ATOM 418 CA THR A 305 0.789 -4.710 7.258 1.00 15.00 C ATOM 419 C THR A 305 1.003 -4.448 5.768 1.00 15.00 C ATOM 420 O THR A 305 1.251 -3.310 5.359 1.00 15.00 O ATOM 421 CB THR A 305 -0.726 -4.652 7.557 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.198 -3.300 7.481 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.044 -5.231 8.927 1.00 15.00 C ATOM 0 H THR A 305 1.534 -2.807 7.708 1.00 15.00 H new ATOM 0 HA THR A 305 1.165 -5.700 7.516 1.00 15.00 H new ATOM 0 HB THR A 305 -1.234 -5.255 6.805 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.893 -2.802 8.268 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.118 -5.175 9.105 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.724 -6.272 8.965 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.518 -4.662 9.694 1.00 15.00 H new ATOM 431 N THR A 306 0.928 -5.508 4.971 1.00 15.00 N ATOM 432 CA THR A 306 1.011 -5.400 3.522 1.00 15.00 C ATOM 433 C THR A 306 -0.233 -6.007 2.871 1.00 15.00 C ATOM 434 O THR A 306 -0.550 -7.177 3.091 1.00 15.00 O ATOM 435 CB THR A 306 2.283 -6.090 2.982 1.00 15.00 C ATOM 436 OG1 THR A 306 2.407 -7.409 3.534 1.00 15.00 O ATOM 437 CG2 THR A 306 3.523 -5.278 3.320 1.00 15.00 C ATOM 0 H THR A 306 0.808 -6.462 5.311 1.00 15.00 H new ATOM 0 HA THR A 306 1.065 -4.341 3.268 1.00 15.00 H new ATOM 0 HB THR A 306 2.194 -6.160 1.898 1.00 15.00 H new ATOM 0 HG1 THR A 306 1.515 -7.778 3.703 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.406 -5.783 2.930 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.443 -4.288 2.871 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.610 -5.180 4.402 1.00 15.00 H new ATOM 445 N GLN A 307 -0.948 -5.204 2.089 1.00 15.00 N ATOM 446 CA GLN A 307 -2.224 -5.628 1.511 1.00 15.00 C ATOM 447 C GLN A 307 -2.431 -5.037 0.116 1.00 15.00 C ATOM 448 O GLN A 307 -2.250 -3.845 -0.082 1.00 15.00 O ATOM 449 CB GLN A 307 -3.385 -5.203 2.425 1.00 15.00 C ATOM 450 CG GLN A 307 -2.996 -4.249 3.552 1.00 15.00 C ATOM 451 CD GLN A 307 -4.132 -4.011 4.533 1.00 15.00 C ATOM 452 OE1 GLN A 307 -5.306 -4.083 4.172 1.00 15.00 O ATOM 453 NE2 GLN A 307 -3.792 -3.714 5.780 1.00 15.00 N ATOM 0 H GLN A 307 -0.668 -4.256 1.839 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.203 -6.714 1.423 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -4.154 -4.728 1.815 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -3.831 -6.097 2.862 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.138 -4.655 4.087 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -2.684 -3.296 3.125 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -2.807 -3.664 6.042 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -4.515 -3.536 6.477 1.00 15.00 H new ATOM 462 N PHE A 308 -2.833 -5.871 -0.843 1.00 15.00 N ATOM 463 CA PHE A 308 -3.136 -5.393 -2.196 1.00 15.00 C ATOM 464 C PHE A 308 -4.482 -4.680 -2.272 1.00 15.00 C ATOM 465 O PHE A 308 -4.784 -4.023 -3.267 1.00 15.00 O ATOM 466 CB PHE A 308 -3.103 -6.530 -3.225 1.00 15.00 C ATOM 467 CG PHE A 308 -1.756 -6.739 -3.856 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.002 -5.647 -4.257 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.251 -8.011 -4.076 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.227 -5.819 -4.860 1.00 15.00 C ATOM 471 CE2 PHE A 308 -0.025 -8.183 -4.674 1.00 15.00 C ATOM 472 CZ PHE A 308 0.715 -7.086 -5.066 1.00 15.00 C ATOM 0 H PHE A 308 -2.956 -6.875 -0.712 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.352 -4.675 -2.438 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.414 -7.455 -2.740 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.832 -6.320 -4.008 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.381 -4.649 -4.095 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.826 -8.875 -3.775 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.804 -4.960 -5.169 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.360 -9.179 -4.837 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.678 -7.224 -5.535 1.00 15.00 H new ATOM 482 N THR A 309 -5.306 -4.840 -1.250 1.00 15.00 N ATOM 483 CA THR A 309 -6.623 -4.228 -1.255 1.00 15.00 C ATOM 484 C THR A 309 -6.534 -2.735 -0.920 1.00 15.00 C ATOM 485 O THR A 309 -5.827 -2.332 0.005 1.00 15.00 O ATOM 486 CB THR A 309 -7.588 -4.942 -0.278 1.00 15.00 C ATOM 487 OG1 THR A 309 -8.928 -4.467 -0.467 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.173 -4.730 1.173 1.00 15.00 C ATOM 0 H THR A 309 -5.089 -5.383 -0.414 1.00 15.00 H new ATOM 0 HA THR A 309 -7.026 -4.336 -2.262 1.00 15.00 H new ATOM 0 HB THR A 309 -7.544 -6.009 -0.495 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.529 -4.927 0.155 1.00 15.00 H new ATOM 0 HG21 THR A 309 -7.873 -5.245 1.831 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.170 -5.129 1.327 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.179 -3.664 1.401 1.00 15.00 H new ATOM 496 N ASP A 310 -7.237 -1.921 -1.696 1.00 15.00 N ATOM 497 CA ASP A 310 -7.275 -0.482 -1.465 1.00 15.00 C ATOM 498 C ASP A 310 -8.697 -0.058 -1.118 1.00 15.00 C ATOM 499 O ASP A 310 -9.642 -0.415 -1.818 1.00 15.00 O ATOM 500 CB ASP A 310 -6.773 0.274 -2.703 1.00 15.00 C ATOM 501 CG ASP A 310 -6.757 1.780 -2.511 1.00 15.00 C ATOM 502 OD1 ASP A 310 -7.838 2.394 -2.471 1.00 15.00 O1- ATOM 503 OD2 ASP A 310 -5.661 2.364 -2.399 1.00 15.00 O ATOM 0 H ASP A 310 -7.791 -2.233 -2.494 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.618 -0.237 -0.630 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.767 -0.067 -2.947 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.408 0.028 -3.554 1.00 15.00 H new ATOM 508 N PRO A 311 -8.865 0.711 -0.032 1.00 15.00 N ATOM 509 CA PRO A 311 -10.187 1.111 0.469 1.00 15.00 C ATOM 510 C PRO A 311 -10.948 2.061 -0.460 1.00 15.00 C ATOM 511 O PRO A 311 -12.150 2.266 -0.288 1.00 15.00 O ATOM 512 CB PRO A 311 -9.876 1.807 1.796 1.00 15.00 C ATOM 513 CG PRO A 311 -8.461 2.259 1.672 1.00 15.00 C ATOM 514 CD PRO A 311 -7.775 1.242 0.806 1.00 15.00 C ATOM 0 HA PRO A 311 -10.842 0.244 0.556 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.546 2.650 1.966 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.000 1.126 2.638 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.406 3.252 1.225 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.985 2.323 2.650 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.989 1.694 0.202 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.308 0.457 1.401 1.00 15.00 H new ATOM 522 N ARG A 312 -10.256 2.655 -1.425 1.00 15.00 N ATOM 523 CA ARG A 312 -10.888 3.597 -2.346 1.00 15.00 C ATOM 524 C ARG A 312 -11.305 2.891 -3.628 1.00 15.00 C ATOM 525 O ARG A 312 -12.063 3.434 -4.435 1.00 15.00 O ATOM 526 CB ARG A 312 -9.960 4.769 -2.700 1.00 15.00 C ATOM 527 CG ARG A 312 -9.683 5.741 -1.561 1.00 15.00 C ATOM 528 CD ARG A 312 -8.693 5.175 -0.553 1.00 15.00 C ATOM 529 NE ARG A 312 -7.448 4.745 -1.188 1.00 15.00 N ATOM 530 CZ ARG A 312 -6.376 5.520 -1.347 1.00 15.00 C ATOM 531 NH1 ARG A 312 -6.401 6.793 -0.965 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -5.278 5.019 -1.896 1.00 15.00 N ATOM 0 H ARG A 312 -9.261 2.503 -1.591 1.00 15.00 H new ATOM 0 HA ARG A 312 -11.766 3.995 -1.837 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -9.010 4.366 -3.052 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -10.399 5.322 -3.530 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -9.292 6.674 -1.968 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -10.618 5.981 -1.055 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -8.473 5.930 0.202 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -9.146 4.330 -0.035 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.397 3.786 -1.533 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -7.245 7.183 -0.547 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -5.576 7.379 -1.090 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -5.256 4.044 -2.195 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -4.455 5.609 -2.020 1.00 15.00 H new ATOM 546 N LEU A 313 -10.778 1.697 -3.827 1.00 15.00 N ATOM 547 CA LEU A 313 -11.051 0.939 -5.033 1.00 15.00 C ATOM 548 C LEU A 313 -12.132 -0.099 -4.773 1.00 15.00 C ATOM 549 O LEU A 313 -11.811 -1.303 -4.726 1.00 15.00 O ATOM 550 CB LEU A 313 -9.764 0.268 -5.523 1.00 15.00 C ATOM 551 CG LEU A 313 -8.638 1.231 -5.903 1.00 15.00 C ATOM 552 CD1 LEU A 313 -7.341 0.471 -6.131 1.00 15.00 C ATOM 553 CD2 LEU A 313 -9.014 2.033 -7.142 1.00 15.00 C ATOM 0 H LEU A 313 -10.157 1.230 -3.166 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.411 1.617 -5.807 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -9.401 -0.402 -4.743 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -10.001 -0.350 -6.389 1.00 15.00 H new ATOM 0 HG LEU A 313 -8.488 1.927 -5.078 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -6.551 1.172 -6.400 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -7.063 -0.056 -5.218 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -7.478 -0.249 -6.938 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -8.200 2.712 -7.396 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -9.193 1.353 -7.975 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -9.918 2.608 -6.942 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 -1.383 -9.084 -9.522 1.00 15.00 N ATOM 567 CA ASP B 221 0.065 -8.854 -9.346 1.00 15.00 C ATOM 568 C ASP B 221 0.636 -9.934 -8.433 1.00 15.00 C ATOM 569 O ASP B 221 -0.096 -10.820 -7.989 1.00 15.00 O ATOM 570 CB ASP B 221 0.330 -7.459 -8.766 1.00 15.00 C ATOM 571 CG ASP B 221 1.673 -6.912 -9.194 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.696 -7.319 -8.617 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 1.711 -6.064 -10.112 1.00 15.00 O ATOM 0 HA ASP B 221 0.556 -8.906 -10.318 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.458 -6.778 -9.087 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.288 -7.505 -7.678 1.00 15.00 H new ATOM 578 N THR B 222 1.929 -9.874 -8.164 1.00 15.00 N ATOM 579 CA THR B 222 2.585 -10.884 -7.348 1.00 15.00 C ATOM 580 C THR B 222 2.461 -10.510 -5.869 1.00 15.00 C ATOM 581 O THR B 222 2.463 -9.328 -5.540 1.00 15.00 O ATOM 582 CB THR B 222 4.072 -11.046 -7.769 1.00 15.00 C ATOM 583 OG1 THR B 222 4.618 -12.268 -7.256 1.00 15.00 O ATOM 584 CG2 THR B 222 4.918 -9.871 -7.294 1.00 15.00 C ATOM 0 H THR B 222 2.547 -9.135 -8.499 1.00 15.00 H new ATOM 0 HA THR B 222 2.095 -11.845 -7.503 1.00 15.00 H new ATOM 0 HB THR B 222 4.096 -11.072 -8.858 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.554 -12.350 -7.534 1.00 15.00 H new ATOM 0 HG21 THR B 222 5.952 -10.018 -7.606 1.00 15.00 H new ATOM 0 HG22 THR B 222 4.535 -8.948 -7.729 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.873 -9.806 -6.207 1.00 15.00 H new ATOM 592 N PRO B 223 2.375 -11.514 -4.964 1.00 15.00 N ATOM 593 CA PRO B 223 2.016 -11.305 -3.551 1.00 15.00 C ATOM 594 C PRO B 223 2.807 -10.178 -2.887 1.00 15.00 C ATOM 595 O PRO B 223 4.005 -10.011 -3.139 1.00 15.00 O ATOM 596 CB PRO B 223 2.352 -12.652 -2.886 1.00 15.00 C ATOM 597 CG PRO B 223 3.079 -13.446 -3.920 1.00 15.00 C ATOM 598 CD PRO B 223 2.600 -12.935 -5.243 1.00 15.00 C ATOM 0 HA PRO B 223 0.972 -11.007 -3.452 1.00 15.00 H new ATOM 0 HB2 PRO B 223 2.969 -12.507 -1.999 1.00 15.00 H new ATOM 0 HB3 PRO B 223 1.446 -13.166 -2.564 1.00 15.00 H new ATOM 0 HG2 PRO B 223 4.157 -13.322 -3.821 1.00 15.00 H new ATOM 0 HG3 PRO B 223 2.870 -14.510 -3.814 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.341 -13.083 -6.029 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.687 -13.436 -5.567 1.00 15.00 H new ATOM 606 N PRO B 224 2.137 -9.424 -1.988 1.00 15.00 N ATOM 607 CA PRO B 224 2.636 -8.149 -1.464 1.00 15.00 C ATOM 608 C PRO B 224 4.075 -8.208 -0.964 1.00 15.00 C ATOM 609 O PRO B 224 4.420 -9.018 -0.099 1.00 15.00 O ATOM 610 CB PRO B 224 1.683 -7.805 -0.311 1.00 15.00 C ATOM 611 CG PRO B 224 0.840 -9.015 -0.095 1.00 15.00 C ATOM 612 CD PRO B 224 0.845 -9.781 -1.385 1.00 15.00 C ATOM 0 HA PRO B 224 2.655 -7.399 -2.255 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.239 -7.552 0.592 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.067 -6.941 -0.559 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.237 -9.623 0.718 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.176 -8.734 0.184 1.00 15.00 H new ATOM 0 HD2 PRO B 224 0.764 -10.855 -1.215 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.010 -9.496 -2.025 1.00 15.00 H new ATOM 620 N PRO B 225 4.927 -7.351 -1.545 1.00 15.00 N ATOM 621 CA PRO B 225 6.320 -7.163 -1.115 1.00 15.00 C ATOM 622 C PRO B 225 6.439 -6.726 0.344 1.00 15.00 C ATOM 623 O PRO B 225 5.436 -6.549 1.038 1.00 15.00 O ATOM 624 CB PRO B 225 6.816 -6.026 -2.015 1.00 15.00 C ATOM 625 CG PRO B 225 5.928 -6.052 -3.205 1.00 15.00 C ATOM 626 CD PRO B 225 4.592 -6.514 -2.711 1.00 15.00 C ATOM 0 HA PRO B 225 6.884 -8.092 -1.193 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.759 -5.066 -1.503 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.858 -6.175 -2.298 1.00 15.00 H new ATOM 0 HG2 PRO B 225 5.856 -5.064 -3.660 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.317 -6.727 -3.968 1.00 15.00 H new ATOM 0 HD2 PRO B 225 3.955 -5.675 -2.433 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.057 -7.082 -3.472 1.00 15.00 H new ATOM 634 N ALA B 226 7.677 -6.539 0.794 1.00 15.00 N ATOM 635 CA ALA B 226 7.935 -5.953 2.101 1.00 15.00 C ATOM 636 C ALA B 226 7.383 -4.534 2.143 1.00 15.00 C ATOM 637 O ALA B 226 7.152 -3.925 1.093 1.00 15.00 O ATOM 638 CB ALA B 226 9.427 -5.953 2.393 1.00 15.00 C ATOM 0 H ALA B 226 8.517 -6.786 0.270 1.00 15.00 H new ATOM 0 HA ALA B 226 7.437 -6.549 2.866 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.606 -5.512 3.374 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.800 -6.977 2.382 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.947 -5.370 1.633 1.00 15.00 H new ATOM 644 N TYR B 227 7.185 -3.990 3.334 1.00 15.00 N ATOM 645 CA TYR B 227 6.554 -2.691 3.429 1.00 15.00 C ATOM 646 C TYR B 227 7.616 -1.590 3.390 1.00 15.00 C ATOM 647 O TYR B 227 8.581 -1.593 4.158 1.00 15.00 O ATOM 648 CB TYR B 227 5.684 -2.562 4.693 1.00 15.00 C ATOM 649 CG TYR B 227 6.413 -2.030 5.898 1.00 15.00 C ATOM 650 CD1 TYR B 227 7.109 -2.855 6.768 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.417 -0.666 6.137 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.794 -2.330 7.847 1.00 15.00 C ATOM 653 CE2 TYR B 227 7.091 -0.129 7.209 1.00 15.00 C ATOM 654 CZ TYR B 227 7.781 -0.966 8.067 1.00 15.00 C ATOM 655 OH TYR B 227 8.461 -0.437 9.139 1.00 15.00 O ATOM 0 H TYR B 227 7.445 -4.417 4.223 1.00 15.00 H new ATOM 0 HA TYR B 227 5.890 -2.580 2.572 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.842 -1.906 4.474 1.00 15.00 H new ATOM 0 HB3 TYR B 227 5.271 -3.541 4.936 1.00 15.00 H new ATOM 0 HD1 TYR B 227 7.116 -3.922 6.600 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.880 -0.010 5.468 1.00 15.00 H new ATOM 0 HE1 TYR B 227 8.337 -2.982 8.515 1.00 15.00 H new ATOM 0 HE2 TYR B 227 7.081 0.937 7.379 1.00 15.00 H new ATOM 0 HH TYR B 227 8.351 0.537 9.148 1.00 15.00 H new ATOM 665 N LEU B 228 7.444 -0.676 2.459 1.00 15.00 N ATOM 666 CA LEU B 228 8.315 0.478 2.313 1.00 15.00 C ATOM 667 C LEU B 228 7.465 1.732 2.221 1.00 15.00 C ATOM 668 O LEU B 228 6.310 1.646 1.867 1.00 15.00 O ATOM 669 CB LEU B 228 9.222 0.364 1.073 1.00 15.00 C ATOM 670 CG LEU B 228 10.390 -0.633 1.149 1.00 15.00 C ATOM 671 CD1 LEU B 228 11.161 -0.479 2.454 1.00 15.00 C ATOM 672 CD2 LEU B 228 9.906 -2.065 0.965 1.00 15.00 C ATOM 0 H LEU B 228 6.689 -0.711 1.774 1.00 15.00 H new ATOM 0 HA LEU B 228 8.966 0.526 3.186 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.599 0.090 0.222 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.633 1.351 0.863 1.00 15.00 H new ATOM 0 HG LEU B 228 11.072 -0.405 0.330 1.00 15.00 H new ATOM 0 HD11 LEU B 228 11.981 -1.197 2.479 1.00 15.00 H new ATOM 0 HD12 LEU B 228 11.562 0.532 2.522 1.00 15.00 H new ATOM 0 HD13 LEU B 228 10.493 -0.662 3.295 1.00 15.00 H new ATOM 0 HD21 LEU B 228 10.755 -2.746 1.024 1.00 15.00 H new ATOM 0 HD22 LEU B 228 9.189 -2.310 1.748 1.00 15.00 H new ATOM 0 HD23 LEU B 228 9.427 -2.165 -0.009 1.00 15.00 H new ATOM 684 N PRO B 229 8.019 2.921 2.464 1.00 15.00 N ATOM 685 CA PRO B 229 7.217 4.141 2.514 1.00 15.00 C ATOM 686 C PRO B 229 7.071 4.752 1.130 1.00 15.00 C ATOM 687 O PRO B 229 7.870 4.482 0.234 1.00 15.00 O ATOM 688 CB PRO B 229 8.067 5.080 3.396 1.00 15.00 C ATOM 689 CG PRO B 229 9.202 4.250 3.897 1.00 15.00 C ATOM 690 CD PRO B 229 9.393 3.165 2.885 1.00 15.00 C ATOM 0 HA PRO B 229 6.209 3.965 2.889 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.430 5.933 2.823 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.479 5.478 4.223 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.107 4.849 4.004 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.978 3.833 4.879 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.026 3.483 2.057 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.854 2.277 3.317 1.00 15.00 H new ATOM 698 N PRO B 230 6.057 5.610 0.944 1.00 15.00 N ATOM 699 CA PRO B 230 5.368 5.712 -0.334 1.00 15.00 C ATOM 700 C PRO B 230 5.955 6.703 -1.325 1.00 15.00 C ATOM 701 O PRO B 230 6.219 7.867 -1.016 1.00 15.00 O ATOM 702 CB PRO B 230 3.985 6.186 0.108 1.00 15.00 C ATOM 703 CG PRO B 230 4.240 7.062 1.285 1.00 15.00 C ATOM 704 CD PRO B 230 5.466 6.512 1.962 1.00 15.00 C ATOM 0 HA PRO B 230 5.416 4.769 -0.878 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.481 6.732 -0.689 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.345 5.345 0.373 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.398 8.095 0.974 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.387 7.060 1.964 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.158 7.306 2.243 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.211 5.973 2.875 1.00 15.00 H new ATOM 712 N GLU B 231 6.165 6.186 -2.527 1.00 15.00 N ATOM 713 CA GLU B 231 6.563 6.979 -3.668 1.00 15.00 C ATOM 714 C GLU B 231 5.435 6.940 -4.711 1.00 15.00 C ATOM 715 O GLU B 231 5.273 5.948 -5.416 1.00 15.00 O ATOM 716 CB GLU B 231 7.882 6.437 -4.248 1.00 15.00 C ATOM 717 CG GLU B 231 7.845 4.967 -4.668 1.00 15.00 C ATOM 718 CD GLU B 231 9.224 4.407 -4.928 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.848 3.902 -3.974 1.00 15.00 O ATOM 720 OE2 GLU B 231 9.694 4.468 -6.080 1.00 15.00 O1- ATOM 0 H GLU B 231 6.061 5.193 -2.734 1.00 15.00 H new ATOM 0 HA GLU B 231 6.733 8.014 -3.371 1.00 15.00 H new ATOM 0 HB2 GLU B 231 8.156 7.040 -5.113 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.669 6.568 -3.506 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.359 4.381 -3.888 1.00 15.00 H new ATOM 0 HG3 GLU B 231 7.239 4.864 -5.568 1.00 15.00 H new ATOM 727 N ASP B 232 4.609 7.980 -4.773 1.00 15.00 N ATOM 728 CA ASP B 232 3.466 7.966 -5.676 1.00 15.00 C ATOM 729 C ASP B 232 3.575 9.080 -6.705 1.00 15.00 C ATOM 730 O ASP B 232 3.568 10.263 -6.357 1.00 15.00 O ATOM 731 CB ASP B 232 2.156 8.095 -4.891 1.00 15.00 C ATOM 732 CG ASP B 232 0.935 8.145 -5.794 1.00 15.00 C ATOM 733 OD1 ASP B 232 0.674 7.156 -6.516 1.00 15.00 O1- ATOM 734 OD2 ASP B 232 0.229 9.173 -5.785 1.00 15.00 O ATOM 0 H ASP B 232 4.708 8.830 -4.218 1.00 15.00 H new ATOM 0 HA ASP B 232 3.464 7.011 -6.202 1.00 15.00 H new ATOM 0 HB2 ASP B 232 2.063 7.252 -4.207 1.00 15.00 H new ATOM 0 HB3 ASP B 232 2.190 8.998 -4.282 1.00 15.00 H new ATOM 739 N PRO B 233 3.708 8.710 -7.986 1.00 15.00 N ATOM 740 CA PRO B 233 3.782 9.663 -9.085 1.00 15.00 C ATOM 741 C PRO B 233 2.405 10.213 -9.439 1.00 15.00 C ATOM 742 O PRO B 233 1.740 9.719 -10.350 1.00 15.00 O ATOM 743 CB PRO B 233 4.354 8.839 -10.254 1.00 15.00 C ATOM 744 CG PRO B 233 4.647 7.478 -9.704 1.00 15.00 C ATOM 745 CD PRO B 233 3.809 7.330 -8.467 1.00 15.00 C ATOM 0 HA PRO B 233 4.393 10.531 -8.837 1.00 15.00 H new ATOM 0 HB2 PRO B 233 3.640 8.781 -11.075 1.00 15.00 H new ATOM 0 HB3 PRO B 233 5.258 9.301 -10.650 1.00 15.00 H new ATOM 0 HG2 PRO B 233 4.404 6.704 -10.432 1.00 15.00 H new ATOM 0 HG3 PRO B 233 5.706 7.374 -9.470 1.00 15.00 H new ATOM 0 HD2 PRO B 233 2.830 6.905 -8.688 1.00 15.00 H new ATOM 0 HD3 PRO B 233 4.281 6.678 -7.732 1.00 15.00 H new HETATM 753 N NH2 B 234 1.977 11.228 -8.708 1.00 15.00 N TER 756 NH2 B 234