USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=10 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 291 THR OG1 : rot -170:sc= -0.644 USER MOD Set 1.2: A 293 SER OG : rot 180:sc= 0.0825 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= -0.0161 USER MOD Single : A 301 HIS : no HE2:sc= -11.6! C(o=-12!,f=-7.5!) USER MOD Single : A 302 ASN : amide:sc= -0.878 K(o=-0.88,f=-0.0098) USER MOD Single : A 303 ASN : amide:sc= -1.01 K(o=-1,f=-0.022) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot 51:sc= -0.788 USER MOD Single : A 307 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.028) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 180:sc= -1.02 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -13.190 1.991 -2.593 1.00 15.00 N ATOM 2 CA LEU A 279 -14.500 2.487 -2.121 1.00 15.00 C ATOM 3 C LEU A 279 -14.573 2.382 -0.607 1.00 15.00 C ATOM 4 O LEU A 279 -14.634 1.281 -0.056 1.00 15.00 O ATOM 5 CB LEU A 279 -15.639 1.686 -2.757 1.00 15.00 C ATOM 6 CG LEU A 279 -15.750 1.808 -4.276 1.00 15.00 C ATOM 7 CD1 LEU A 279 -16.807 0.857 -4.807 1.00 15.00 C ATOM 8 CD2 LEU A 279 -16.080 3.238 -4.674 1.00 15.00 C ATOM 0 HA LEU A 279 -14.606 3.531 -2.415 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -15.509 0.634 -2.501 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -16.581 2.008 -2.313 1.00 15.00 H new ATOM 0 HG LEU A 279 -14.788 1.540 -4.714 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -16.874 0.956 -5.890 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -16.536 -0.167 -4.552 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -17.771 1.099 -4.360 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -16.155 3.306 -5.759 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -17.029 3.531 -4.226 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -15.292 3.904 -4.323 1.00 15.00 H new ATOM 22 N GLY A 280 -14.537 3.524 0.062 1.00 15.00 N ATOM 23 CA GLY A 280 -14.525 3.534 1.506 1.00 15.00 C ATOM 24 C GLY A 280 -13.519 4.522 2.070 1.00 15.00 C ATOM 25 O GLY A 280 -13.128 5.473 1.392 1.00 15.00 O ATOM 0 H GLY A 280 -14.516 4.446 -0.373 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -15.520 3.784 1.873 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -14.292 2.534 1.872 1.00 15.00 H new ATOM 29 N PRO A 281 -13.092 4.319 3.322 1.00 15.00 N ATOM 30 CA PRO A 281 -12.175 5.219 4.029 1.00 15.00 C ATOM 31 C PRO A 281 -10.702 4.821 3.907 1.00 15.00 C ATOM 32 O PRO A 281 -10.371 3.638 3.830 1.00 15.00 O ATOM 33 CB PRO A 281 -12.631 5.015 5.465 1.00 15.00 C ATOM 34 CG PRO A 281 -12.920 3.554 5.528 1.00 15.00 C ATOM 35 CD PRO A 281 -13.497 3.190 4.183 1.00 15.00 C ATOM 0 HA PRO A 281 -12.212 6.237 3.642 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -11.858 5.303 6.177 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.515 5.610 5.695 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -12.013 2.985 5.731 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -13.624 3.329 6.329 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -13.099 2.243 3.818 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -14.581 3.085 4.225 1.00 15.00 H new ATOM 43 N LEU A 282 -9.817 5.807 3.923 1.00 15.00 N ATOM 44 CA LEU A 282 -8.395 5.535 4.064 1.00 15.00 C ATOM 45 C LEU A 282 -7.967 5.833 5.497 1.00 15.00 C ATOM 46 O LEU A 282 -8.015 6.984 5.937 1.00 15.00 O ATOM 47 CB LEU A 282 -7.556 6.366 3.090 1.00 15.00 C ATOM 48 CG LEU A 282 -6.052 6.072 3.136 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.759 4.690 2.572 1.00 15.00 C ATOM 50 CD2 LEU A 282 -5.268 7.135 2.386 1.00 15.00 C ATOM 0 H LEU A 282 -10.056 6.795 3.841 1.00 15.00 H new ATOM 0 HA LEU A 282 -8.226 4.484 3.829 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.917 6.189 2.077 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.714 7.423 3.305 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.735 6.092 4.179 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.686 4.500 2.613 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.284 3.938 3.161 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.097 4.640 1.537 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -4.204 6.904 2.433 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.589 7.156 1.344 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -5.448 8.109 2.841 1.00 15.00 H new ATOM 62 N PRO A 283 -7.582 4.797 6.253 1.00 15.00 N ATOM 63 CA PRO A 283 -7.161 4.942 7.650 1.00 15.00 C ATOM 64 C PRO A 283 -5.826 5.675 7.784 1.00 15.00 C ATOM 65 O PRO A 283 -4.890 5.420 7.026 1.00 15.00 O ATOM 66 CB PRO A 283 -7.021 3.492 8.142 1.00 15.00 C ATOM 67 CG PRO A 283 -7.687 2.650 7.106 1.00 15.00 C ATOM 68 CD PRO A 283 -7.538 3.397 5.815 1.00 15.00 C ATOM 0 HA PRO A 283 -7.874 5.534 8.224 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -5.973 3.216 8.256 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.493 3.361 9.116 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.223 1.666 7.044 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.738 2.492 7.347 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.600 3.158 5.313 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.342 3.165 5.116 1.00 15.00 H new ATOM 76 N PRO A 284 -5.730 6.600 8.753 1.00 15.00 N ATOM 77 CA PRO A 284 -4.484 7.312 9.051 1.00 15.00 C ATOM 78 C PRO A 284 -3.364 6.350 9.442 1.00 15.00 C ATOM 79 O PRO A 284 -3.541 5.499 10.317 1.00 15.00 O ATOM 80 CB PRO A 284 -4.849 8.223 10.231 1.00 15.00 C ATOM 81 CG PRO A 284 -6.115 7.665 10.785 1.00 15.00 C ATOM 82 CD PRO A 284 -6.831 7.029 9.630 1.00 15.00 C ATOM 0 HA PRO A 284 -4.111 7.861 8.187 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.060 8.228 10.983 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -4.984 9.254 9.904 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -5.909 6.933 11.566 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.722 8.450 11.235 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.444 6.186 9.950 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.495 7.734 9.129 1.00 15.00 H new ATOM 90 N GLY A 285 -2.220 6.491 8.793 1.00 15.00 N ATOM 91 CA GLY A 285 -1.117 5.578 9.025 1.00 15.00 C ATOM 92 C GLY A 285 -0.871 4.693 7.824 1.00 15.00 C ATOM 93 O GLY A 285 0.109 3.946 7.770 1.00 15.00 O ATOM 0 H GLY A 285 -2.033 7.223 8.107 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.214 6.146 9.251 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.332 4.960 9.897 1.00 15.00 H new ATOM 97 N TRP A 286 -1.756 4.806 6.843 1.00 15.00 N ATOM 98 CA TRP A 286 -1.653 4.030 5.619 1.00 15.00 C ATOM 99 C TRP A 286 -0.829 4.769 4.589 1.00 15.00 C ATOM 100 O TRP A 286 -1.245 5.809 4.069 1.00 15.00 O ATOM 101 CB TRP A 286 -3.048 3.743 5.038 1.00 15.00 C ATOM 102 CG TRP A 286 -3.674 2.496 5.571 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.793 2.140 6.883 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.259 1.431 4.806 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.398 0.914 6.985 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.691 0.454 5.730 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.457 1.193 3.434 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.299 -0.734 5.334 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.055 0.006 3.056 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.464 -0.944 3.995 1.00 15.00 C ATOM 0 H TRP A 286 -2.559 5.434 6.874 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.165 3.087 5.863 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.702 4.588 5.252 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -2.972 3.666 3.953 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.459 2.737 7.719 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.598 0.423 7.857 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.150 1.919 2.696 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.628 -1.463 6.060 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.210 -0.193 2.006 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -5.920 -1.862 3.655 1.00 15.00 H new ATOM 121 N GLU A 287 0.348 4.243 4.308 1.00 15.00 N ATOM 122 CA GLU A 287 1.180 4.789 3.269 1.00 15.00 C ATOM 123 C GLU A 287 0.926 4.017 1.988 1.00 15.00 C ATOM 124 O GLU A 287 1.105 2.800 1.944 1.00 15.00 O ATOM 125 CB GLU A 287 2.651 4.710 3.681 1.00 15.00 C ATOM 126 CG GLU A 287 3.243 6.045 4.100 1.00 15.00 C ATOM 127 CD GLU A 287 2.522 6.687 5.267 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.791 6.305 6.425 1.00 15.00 O1- ATOM 129 OE2 GLU A 287 1.701 7.598 5.029 1.00 15.00 O ATOM 0 H GLU A 287 0.745 3.436 4.790 1.00 15.00 H new ATOM 0 HA GLU A 287 0.939 5.839 3.105 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.750 4.004 4.506 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.231 4.311 2.849 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.291 5.902 4.365 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.220 6.727 3.250 1.00 15.00 H new ATOM 136 N VAL A 288 0.480 4.703 0.950 1.00 15.00 N ATOM 137 CA VAL A 288 0.202 4.025 -0.297 1.00 15.00 C ATOM 138 C VAL A 288 1.469 4.026 -1.148 1.00 15.00 C ATOM 139 O VAL A 288 1.974 5.070 -1.558 1.00 15.00 O ATOM 140 CB VAL A 288 -1.020 4.637 -1.059 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.104 5.061 -0.084 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.650 5.804 -1.963 1.00 15.00 C ATOM 0 H VAL A 288 0.306 5.708 0.947 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.086 2.997 -0.079 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.395 3.844 -1.706 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.944 5.484 -0.635 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.442 4.194 0.484 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.705 5.810 0.600 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.546 6.178 -2.459 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.206 6.601 -1.366 1.00 15.00 H new ATOM 0 HG23 VAL A 288 0.067 5.470 -2.713 1.00 15.00 H new ATOM 152 N ARG A 289 2.043 2.853 -1.338 1.00 15.00 N ATOM 153 CA ARG A 289 3.264 2.756 -2.102 1.00 15.00 C ATOM 154 C ARG A 289 2.906 2.305 -3.504 1.00 15.00 C ATOM 155 O ARG A 289 2.545 1.154 -3.735 1.00 15.00 O ATOM 156 CB ARG A 289 4.258 1.815 -1.404 1.00 15.00 C ATOM 157 CG ARG A 289 5.723 2.064 -1.742 1.00 15.00 C ATOM 158 CD ARG A 289 6.110 1.540 -3.117 1.00 15.00 C ATOM 159 NE ARG A 289 7.552 1.618 -3.328 1.00 15.00 N ATOM 160 CZ ARG A 289 8.315 0.624 -3.793 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.789 -0.562 -4.061 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.616 0.823 -3.977 1.00 15.00 N ATOM 0 H ARG A 289 1.687 1.968 -0.978 1.00 15.00 H new ATOM 0 HA ARG A 289 3.763 3.723 -2.169 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.128 1.908 -0.326 1.00 15.00 H new ATOM 0 HB3 ARG A 289 4.009 0.787 -1.667 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.924 3.134 -1.697 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.351 1.589 -0.988 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.781 0.506 -3.220 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.596 2.117 -3.886 1.00 15.00 H new ATOM 0 HE ARG A 289 8.013 2.499 -3.103 1.00 15.00 H new ATOM 0 HH11 ARG A 289 6.793 -0.723 -3.913 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.380 -1.314 -4.416 1.00 15.00 H new ATOM 0 HH21 ARG A 289 10.028 1.731 -3.764 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.202 0.067 -4.332 1.00 15.00 H new ATOM 176 N SER A 290 2.931 3.251 -4.418 1.00 15.00 N ATOM 177 CA SER A 290 2.489 3.021 -5.776 1.00 15.00 C ATOM 178 C SER A 290 3.686 2.804 -6.683 1.00 15.00 C ATOM 179 O SER A 290 4.706 3.480 -6.551 1.00 15.00 O ATOM 180 CB SER A 290 1.671 4.225 -6.238 1.00 15.00 C ATOM 181 OG SER A 290 1.267 4.099 -7.592 1.00 15.00 O ATOM 0 H SER A 290 3.258 4.201 -4.240 1.00 15.00 H new ATOM 0 HA SER A 290 1.868 2.126 -5.819 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.790 4.331 -5.604 1.00 15.00 H new ATOM 0 HB3 SER A 290 2.261 5.133 -6.118 1.00 15.00 H new ATOM 0 HG SER A 290 0.745 4.886 -7.852 1.00 15.00 H new ATOM 187 N THR A 291 3.565 1.866 -7.603 1.00 15.00 N ATOM 188 CA THR A 291 4.647 1.580 -8.518 1.00 15.00 C ATOM 189 C THR A 291 4.173 1.683 -9.965 1.00 15.00 C ATOM 190 O THR A 291 3.020 1.357 -10.279 1.00 15.00 O ATOM 191 CB THR A 291 5.262 0.193 -8.246 1.00 15.00 C ATOM 192 OG1 THR A 291 4.245 -0.815 -8.285 1.00 15.00 O ATOM 193 CG2 THR A 291 5.951 0.166 -6.888 1.00 15.00 C ATOM 0 H THR A 291 2.731 1.293 -7.734 1.00 15.00 H new ATOM 0 HA THR A 291 5.424 2.327 -8.355 1.00 15.00 H new ATOM 0 HB THR A 291 6.002 -0.008 -9.021 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.612 -1.663 -7.958 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.378 -0.822 -6.716 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.745 0.913 -6.868 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.224 0.388 -6.107 1.00 15.00 H new ATOM 201 N VAL A 292 5.089 2.118 -10.833 1.00 15.00 N ATOM 202 CA VAL A 292 4.793 2.405 -12.238 1.00 15.00 C ATOM 203 C VAL A 292 4.273 1.167 -12.977 1.00 15.00 C ATOM 204 O VAL A 292 3.712 1.274 -14.069 1.00 15.00 O ATOM 205 CB VAL A 292 6.052 2.958 -12.951 1.00 15.00 C ATOM 206 CG1 VAL A 292 7.132 1.892 -13.061 1.00 15.00 C ATOM 207 CG2 VAL A 292 5.709 3.524 -14.324 1.00 15.00 C ATOM 0 H VAL A 292 6.063 2.282 -10.579 1.00 15.00 H new ATOM 0 HA VAL A 292 4.006 3.159 -12.258 1.00 15.00 H new ATOM 0 HB VAL A 292 6.442 3.773 -12.342 1.00 15.00 H new ATOM 0 HG11 VAL A 292 8.004 2.308 -13.566 1.00 15.00 H new ATOM 0 HG12 VAL A 292 7.416 1.557 -12.063 1.00 15.00 H new ATOM 0 HG13 VAL A 292 6.751 1.046 -13.633 1.00 15.00 H new ATOM 0 HG21 VAL A 292 6.614 3.904 -14.798 1.00 15.00 H new ATOM 0 HG22 VAL A 292 5.277 2.738 -14.944 1.00 15.00 H new ATOM 0 HG23 VAL A 292 4.990 4.335 -14.214 1.00 15.00 H new ATOM 217 N SER A 293 4.451 -0.001 -12.370 1.00 15.00 N ATOM 218 CA SER A 293 3.960 -1.254 -12.927 1.00 15.00 C ATOM 219 C SER A 293 2.432 -1.232 -13.072 1.00 15.00 C ATOM 220 O SER A 293 1.848 -2.078 -13.749 1.00 15.00 O ATOM 221 CB SER A 293 4.377 -2.409 -12.019 1.00 15.00 C ATOM 222 OG SER A 293 5.625 -2.133 -11.399 1.00 15.00 O ATOM 0 H SER A 293 4.939 -0.105 -11.480 1.00 15.00 H new ATOM 0 HA SER A 293 4.393 -1.387 -13.918 1.00 15.00 H new ATOM 0 HB2 SER A 293 3.615 -2.573 -11.257 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.449 -3.328 -12.601 1.00 15.00 H new ATOM 0 HG SER A 293 5.875 -2.883 -10.820 1.00 15.00 H new ATOM 228 N GLY A 294 1.795 -0.270 -12.414 1.00 15.00 N ATOM 229 CA GLY A 294 0.353 -0.174 -12.444 1.00 15.00 C ATOM 230 C GLY A 294 -0.274 -0.964 -11.321 1.00 15.00 C ATOM 231 O GLY A 294 -1.258 -1.680 -11.518 1.00 15.00 O ATOM 0 H GLY A 294 2.258 0.448 -11.857 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.055 0.871 -12.366 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.018 -0.541 -13.401 1.00 15.00 H new ATOM 235 N ARG A 295 0.307 -0.836 -10.137 1.00 15.00 N ATOM 236 CA ARG A 295 -0.170 -1.566 -8.971 1.00 15.00 C ATOM 237 C ARG A 295 0.065 -0.760 -7.698 1.00 15.00 C ATOM 238 O ARG A 295 1.196 -0.357 -7.398 1.00 15.00 O ATOM 239 CB ARG A 295 0.526 -2.935 -8.861 1.00 15.00 C ATOM 240 CG ARG A 295 2.038 -2.845 -8.952 1.00 15.00 C ATOM 241 CD ARG A 295 2.713 -4.200 -8.841 1.00 15.00 C ATOM 242 NE ARG A 295 4.170 -4.054 -8.801 1.00 15.00 N ATOM 243 CZ ARG A 295 5.008 -4.953 -8.281 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.555 -6.104 -7.802 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.313 -4.696 -8.259 1.00 15.00 N ATOM 0 H ARG A 295 1.110 -0.233 -9.958 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.241 -1.728 -9.092 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.252 -3.400 -7.914 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.159 -3.587 -9.654 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.314 -2.383 -9.900 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.407 -2.194 -8.160 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.369 -4.710 -7.941 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.429 -4.823 -9.689 1.00 15.00 H new ATOM 0 HE ARG A 295 4.572 -3.205 -9.199 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.556 -6.310 -7.829 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.205 -6.783 -7.407 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.666 -3.817 -8.638 1.00 15.00 H new ATOM 0 HH22 ARG A 295 6.960 -5.378 -7.863 1.00 15.00 H new ATOM 259 N ILE A 296 -1.009 -0.510 -6.966 1.00 15.00 N ATOM 260 CA ILE A 296 -0.904 0.063 -5.637 1.00 15.00 C ATOM 261 C ILE A 296 -0.789 -1.087 -4.646 1.00 15.00 C ATOM 262 O ILE A 296 -1.417 -2.132 -4.827 1.00 15.00 O ATOM 263 CB ILE A 296 -2.118 0.968 -5.287 1.00 15.00 C ATOM 264 CG1 ILE A 296 -1.874 1.735 -3.974 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.401 0.147 -5.195 1.00 15.00 C ATOM 266 CD1 ILE A 296 -3.028 2.629 -3.567 1.00 15.00 C ATOM 0 H ILE A 296 -1.964 -0.696 -7.272 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.024 0.705 -5.592 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.233 1.695 -6.091 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.682 1.018 -3.175 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -0.975 2.343 -4.080 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.236 0.803 -4.949 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.591 -0.339 -6.152 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.294 -0.610 -4.418 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.784 3.136 -2.634 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.207 3.370 -4.346 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -3.925 2.025 -3.428 1.00 15.00 H new ATOM 278 N TYR A 297 0.022 -0.920 -3.623 1.00 15.00 N ATOM 279 CA TYR A 297 0.283 -2.013 -2.709 1.00 15.00 C ATOM 280 C TYR A 297 0.571 -1.402 -1.372 1.00 15.00 C ATOM 281 O TYR A 297 1.346 -0.443 -1.259 1.00 15.00 O ATOM 282 CB TYR A 297 1.410 -2.960 -3.197 1.00 15.00 C ATOM 283 CG TYR A 297 2.829 -2.635 -2.771 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.509 -1.561 -3.312 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.501 -3.432 -1.838 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.804 -1.281 -2.937 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.795 -3.152 -1.461 1.00 15.00 C ATOM 288 CZ TYR A 297 5.441 -2.074 -2.011 1.00 15.00 C ATOM 289 OH TYR A 297 6.736 -1.791 -1.641 1.00 15.00 O ATOM 0 H TYR A 297 0.507 -0.050 -3.404 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.589 -2.664 -2.646 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.177 -3.967 -2.851 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.382 -2.983 -4.286 1.00 15.00 H new ATOM 0 HD1 TYR A 297 3.018 -0.932 -4.040 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.995 -4.283 -1.406 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.320 -0.437 -3.371 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.298 -3.776 -0.737 1.00 15.00 H new ATOM 0 HH TYR A 297 7.037 -2.446 -0.978 1.00 15.00 H new ATOM 299 N PHE A 298 -0.077 -1.912 -0.367 1.00 15.00 N ATOM 300 CA PHE A 298 -0.116 -1.208 0.860 1.00 15.00 C ATOM 301 C PHE A 298 0.986 -1.529 1.800 1.00 15.00 C ATOM 302 O PHE A 298 1.314 -2.686 2.043 1.00 15.00 O ATOM 303 CB PHE A 298 -1.437 -1.380 1.523 1.00 15.00 C ATOM 304 CG PHE A 298 -2.216 -0.181 1.249 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.796 1.012 1.793 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.314 -0.213 0.423 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.466 2.158 1.532 1.00 15.00 C ATOM 308 CE2 PHE A 298 -3.996 0.939 0.159 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.565 2.119 0.720 1.00 15.00 C ATOM 0 H PHE A 298 -0.576 -2.801 -0.380 1.00 15.00 H new ATOM 0 HA PHE A 298 0.032 -0.162 0.592 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.946 -2.265 1.142 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.313 -1.521 2.597 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -0.926 1.033 2.432 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.636 -1.146 -0.015 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.136 3.093 1.960 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.864 0.925 -0.483 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.105 3.032 0.515 1.00 15.00 H new ATOM 319 N VAL A 299 1.509 -0.451 2.344 1.00 15.00 N ATOM 320 CA VAL A 299 2.558 -0.480 3.300 1.00 15.00 C ATOM 321 C VAL A 299 2.168 0.445 4.460 1.00 15.00 C ATOM 322 O VAL A 299 2.405 1.659 4.447 1.00 15.00 O ATOM 323 CB VAL A 299 3.883 -0.041 2.628 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.313 -1.059 1.577 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.724 1.316 1.965 1.00 15.00 C ATOM 0 H VAL A 299 1.195 0.492 2.115 1.00 15.00 H new ATOM 0 HA VAL A 299 2.711 -1.486 3.690 1.00 15.00 H new ATOM 0 HB VAL A 299 4.645 0.023 3.405 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.245 -0.734 1.116 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.461 -2.030 2.050 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.540 -1.142 0.813 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.666 1.606 1.499 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.945 1.260 1.205 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.447 2.057 2.715 1.00 15.00 H new ATOM 335 N ASP A 300 1.496 -0.116 5.439 1.00 15.00 N ATOM 336 CA ASP A 300 1.110 0.657 6.601 1.00 15.00 C ATOM 337 C ASP A 300 2.216 0.563 7.634 1.00 15.00 C ATOM 338 O ASP A 300 2.627 -0.534 8.023 1.00 15.00 O ATOM 339 CB ASP A 300 -0.244 0.186 7.160 1.00 15.00 C ATOM 340 CG ASP A 300 -0.259 0.099 8.677 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.219 1.153 9.344 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.284 -1.025 9.206 1.00 15.00 O ATOM 0 H ASP A 300 1.207 -1.094 5.457 1.00 15.00 H new ATOM 0 HA ASP A 300 0.976 1.702 6.321 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -1.025 0.872 6.833 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.483 -0.792 6.743 1.00 15.00 H new ATOM 347 N HIS A 301 2.721 1.718 8.044 1.00 15.00 N ATOM 348 CA HIS A 301 3.875 1.763 8.928 1.00 15.00 C ATOM 349 C HIS A 301 3.444 1.670 10.385 1.00 15.00 C ATOM 350 O HIS A 301 4.271 1.440 11.267 1.00 15.00 O ATOM 351 CB HIS A 301 4.686 3.057 8.757 1.00 15.00 C ATOM 352 CG HIS A 301 5.076 3.434 7.355 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.181 4.744 6.956 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.490 2.693 6.300 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.651 4.789 5.731 1.00 15.00 C ATOM 356 NE2 HIS A 301 5.856 3.559 5.303 1.00 15.00 N ATOM 0 H HIS A 301 2.352 2.631 7.780 1.00 15.00 H new ATOM 0 HA HIS A 301 4.499 0.911 8.658 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.108 3.878 9.181 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.596 2.968 9.350 1.00 15.00 H new ATOM 0 HD1 HIS A 301 4.933 5.555 7.523 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.525 1.615 6.253 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.839 5.689 5.165 1.00 15.00 H new ATOM 365 N ASN A 302 2.154 1.861 10.635 1.00 15.00 N ATOM 366 CA ASN A 302 1.657 1.955 12.001 1.00 15.00 C ATOM 367 C ASN A 302 1.424 0.572 12.590 1.00 15.00 C ATOM 368 O ASN A 302 2.031 0.206 13.598 1.00 15.00 O ATOM 369 CB ASN A 302 0.357 2.766 12.051 1.00 15.00 C ATOM 370 CG ASN A 302 -0.095 3.055 13.473 1.00 15.00 C ATOM 371 OD1 ASN A 302 -1.290 3.047 13.772 1.00 15.00 O ATOM 372 ND2 ASN A 302 0.851 3.345 14.356 1.00 15.00 N ATOM 0 H ASN A 302 1.438 1.953 9.915 1.00 15.00 H new ATOM 0 HA ASN A 302 2.415 2.465 12.596 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.499 3.707 11.520 1.00 15.00 H new ATOM 0 HB3 ASN A 302 -0.428 2.220 11.528 1.00 15.00 H new ATOM 0 HD21 ASN A 302 0.599 3.571 15.318 1.00 15.00 H new ATOM 0 HD22 ASN A 302 1.831 3.342 14.073 1.00 15.00 H new ATOM 379 N ASN A 303 0.541 -0.190 11.967 1.00 15.00 N ATOM 380 CA ASN A 303 0.232 -1.538 12.435 1.00 15.00 C ATOM 381 C ASN A 303 1.151 -2.562 11.771 1.00 15.00 C ATOM 382 O ASN A 303 1.249 -3.709 12.217 1.00 15.00 O ATOM 383 CB ASN A 303 -1.235 -1.871 12.142 1.00 15.00 C ATOM 384 CG ASN A 303 -1.698 -3.166 12.782 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.538 -3.877 12.227 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.188 -3.470 13.967 1.00 15.00 N ATOM 0 H ASN A 303 0.024 0.098 11.136 1.00 15.00 H new ATOM 0 HA ASN A 303 0.396 -1.579 13.512 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.863 -1.054 12.497 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.377 -1.937 11.063 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -1.489 -4.316 14.450 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -0.494 -2.857 14.396 1.00 15.00 H new ATOM 393 N ARG A 304 1.818 -2.124 10.702 1.00 15.00 N ATOM 394 CA ARG A 304 2.698 -2.967 9.905 1.00 15.00 C ATOM 395 C ARG A 304 1.892 -4.037 9.180 1.00 15.00 C ATOM 396 O ARG A 304 1.762 -5.172 9.646 1.00 15.00 O ATOM 397 CB ARG A 304 3.817 -3.583 10.756 1.00 15.00 C ATOM 398 CG ARG A 304 4.804 -4.423 9.961 1.00 15.00 C ATOM 399 CD ARG A 304 6.004 -4.817 10.807 1.00 15.00 C ATOM 400 NE ARG A 304 5.616 -5.583 11.989 1.00 15.00 N ATOM 401 CZ ARG A 304 6.176 -5.437 13.189 1.00 15.00 C ATOM 402 NH1 ARG A 304 7.173 -4.573 13.363 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 5.748 -6.157 14.215 1.00 15.00 N ATOM 0 H ARG A 304 1.759 -1.163 10.365 1.00 15.00 H new ATOM 0 HA ARG A 304 3.182 -2.339 9.157 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.359 -2.783 11.260 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.370 -4.203 11.533 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.307 -5.320 9.592 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.140 -3.863 9.088 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.694 -5.407 10.204 1.00 15.00 H new ATOM 0 HD3 ARG A 304 6.539 -3.919 11.117 1.00 15.00 H new ATOM 0 HE ARG A 304 4.870 -6.272 11.889 1.00 15.00 H new ATOM 0 HH11 ARG A 304 7.511 -4.019 12.576 1.00 15.00 H new ATOM 0 HH12 ARG A 304 7.599 -4.464 14.283 1.00 15.00 H new ATOM 0 HH21 ARG A 304 4.988 -6.825 14.087 1.00 15.00 H new ATOM 0 HH22 ARG A 304 6.178 -6.043 15.133 1.00 15.00 H new ATOM 417 N THR A 305 1.300 -3.644 8.064 1.00 15.00 N ATOM 418 CA THR A 305 0.487 -4.550 7.275 1.00 15.00 C ATOM 419 C THR A 305 0.538 -4.172 5.797 1.00 15.00 C ATOM 420 O THR A 305 0.746 -3.004 5.449 1.00 15.00 O ATOM 421 CB THR A 305 -0.983 -4.578 7.765 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.694 -5.648 7.130 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.695 -3.263 7.478 1.00 15.00 C ATOM 0 H THR A 305 1.369 -2.700 7.684 1.00 15.00 H new ATOM 0 HA THR A 305 0.902 -5.550 7.402 1.00 15.00 H new ATOM 0 HB THR A 305 -0.966 -4.732 8.844 1.00 15.00 H new ATOM 0 HG1 THR A 305 -2.621 -5.658 7.447 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.723 -3.320 7.836 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.178 -2.450 7.988 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.694 -3.076 6.404 1.00 15.00 H new ATOM 431 N THR A 306 0.393 -5.169 4.936 1.00 15.00 N ATOM 432 CA THR A 306 0.378 -4.945 3.503 1.00 15.00 C ATOM 433 C THR A 306 -0.980 -5.330 2.921 1.00 15.00 C ATOM 434 O THR A 306 -1.628 -6.264 3.393 1.00 15.00 O ATOM 435 CB THR A 306 1.498 -5.728 2.788 1.00 15.00 C ATOM 436 OG1 THR A 306 1.390 -5.547 1.375 1.00 15.00 O ATOM 437 CG2 THR A 306 1.453 -7.207 3.141 1.00 15.00 C ATOM 0 H THR A 306 0.284 -6.145 5.210 1.00 15.00 H new ATOM 0 HA THR A 306 0.556 -3.883 3.337 1.00 15.00 H new ATOM 0 HB THR A 306 2.458 -5.338 3.127 1.00 15.00 H new ATOM 0 HG1 THR A 306 1.333 -4.590 1.171 1.00 15.00 H new ATOM 0 HG21 THR A 306 2.255 -7.730 2.621 1.00 15.00 H new ATOM 0 HG22 THR A 306 1.579 -7.328 4.217 1.00 15.00 H new ATOM 0 HG23 THR A 306 0.492 -7.624 2.839 1.00 15.00 H new ATOM 445 N GLN A 307 -1.418 -4.602 1.901 1.00 15.00 N ATOM 446 CA GLN A 307 -2.749 -4.826 1.338 1.00 15.00 C ATOM 447 C GLN A 307 -2.794 -4.484 -0.158 1.00 15.00 C ATOM 448 O GLN A 307 -2.440 -3.383 -0.553 1.00 15.00 O ATOM 449 CB GLN A 307 -3.765 -3.968 2.104 1.00 15.00 C ATOM 450 CG GLN A 307 -5.195 -4.472 2.018 1.00 15.00 C ATOM 451 CD GLN A 307 -5.501 -5.593 3.000 1.00 15.00 C ATOM 452 OE1 GLN A 307 -6.648 -5.769 3.408 1.00 15.00 O ATOM 453 NE2 GLN A 307 -4.488 -6.342 3.414 1.00 15.00 N ATOM 0 H GLN A 307 -0.882 -3.861 1.450 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.996 -5.883 1.440 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.470 -3.924 3.152 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -3.727 -2.949 1.719 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -5.877 -3.642 2.202 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -5.388 -4.824 1.005 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -3.548 -6.171 3.057 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -4.649 -7.089 4.090 1.00 15.00 H new ATOM 462 N PHE A 308 -3.237 -5.425 -0.989 1.00 15.00 N ATOM 463 CA PHE A 308 -3.357 -5.168 -2.431 1.00 15.00 C ATOM 464 C PHE A 308 -4.706 -4.558 -2.799 1.00 15.00 C ATOM 465 O PHE A 308 -4.888 -4.059 -3.911 1.00 15.00 O ATOM 466 CB PHE A 308 -3.126 -6.437 -3.252 1.00 15.00 C ATOM 467 CG PHE A 308 -1.691 -6.653 -3.640 1.00 15.00 C ATOM 468 CD1 PHE A 308 -0.930 -5.602 -4.130 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.110 -7.905 -3.541 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.386 -5.795 -4.509 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.201 -8.099 -3.915 1.00 15.00 C ATOM 472 CZ PHE A 308 0.950 -7.046 -4.399 1.00 15.00 C ATOM 0 H PHE A 308 -3.517 -6.362 -0.699 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.578 -4.445 -2.674 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.472 -7.298 -2.679 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.734 -6.390 -4.155 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.371 -4.620 -4.217 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.689 -8.736 -3.167 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.968 -4.969 -4.889 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.645 -9.080 -3.829 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.978 -7.203 -4.691 1.00 15.00 H new ATOM 482 N THR A 309 -5.659 -4.628 -1.887 1.00 15.00 N ATOM 483 CA THR A 309 -6.955 -4.014 -2.114 1.00 15.00 C ATOM 484 C THR A 309 -7.000 -2.635 -1.455 1.00 15.00 C ATOM 485 O THR A 309 -6.822 -2.503 -0.242 1.00 15.00 O ATOM 486 CB THR A 309 -8.114 -4.915 -1.616 1.00 15.00 C ATOM 487 OG1 THR A 309 -9.373 -4.258 -1.801 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.945 -5.299 -0.152 1.00 15.00 C ATOM 0 H THR A 309 -5.562 -5.100 -0.988 1.00 15.00 H new ATOM 0 HA THR A 309 -7.092 -3.893 -3.189 1.00 15.00 H new ATOM 0 HB THR A 309 -8.090 -5.829 -2.209 1.00 15.00 H new ATOM 0 HG1 THR A 309 -10.095 -4.840 -1.484 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.778 -5.930 0.157 1.00 15.00 H new ATOM 0 HG22 THR A 309 -7.010 -5.844 -0.024 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.926 -4.398 0.461 1.00 15.00 H new ATOM 496 N ASP A 310 -7.193 -1.610 -2.274 1.00 15.00 N ATOM 497 CA ASP A 310 -7.199 -0.234 -1.796 1.00 15.00 C ATOM 498 C ASP A 310 -8.614 0.232 -1.473 1.00 15.00 C ATOM 499 O ASP A 310 -9.532 0.083 -2.283 1.00 15.00 O ATOM 500 CB ASP A 310 -6.563 0.694 -2.835 1.00 15.00 C ATOM 501 CG ASP A 310 -6.773 2.159 -2.506 1.00 15.00 C ATOM 502 OD1 ASP A 310 -6.158 2.657 -1.542 1.00 15.00 O1- ATOM 503 OD2 ASP A 310 -7.578 2.809 -3.200 1.00 15.00 O ATOM 0 H ASP A 310 -7.348 -1.706 -3.278 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.612 -0.196 -0.879 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.494 0.488 -2.897 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -6.986 0.480 -3.817 1.00 15.00 H new ATOM 508 N PRO A 311 -8.800 0.810 -0.278 1.00 15.00 N ATOM 509 CA PRO A 311 -10.100 1.297 0.174 1.00 15.00 C ATOM 510 C PRO A 311 -10.526 2.604 -0.505 1.00 15.00 C ATOM 511 O PRO A 311 -11.686 2.994 -0.421 1.00 15.00 O ATOM 512 CB PRO A 311 -9.896 1.496 1.679 1.00 15.00 C ATOM 513 CG PRO A 311 -8.445 1.798 1.820 1.00 15.00 C ATOM 514 CD PRO A 311 -7.747 1.023 0.734 1.00 15.00 C ATOM 0 HA PRO A 311 -10.901 0.600 -0.073 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.510 2.312 2.059 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.172 0.602 2.239 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.258 2.867 1.717 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.080 1.504 2.804 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.904 1.579 0.324 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.353 0.077 1.107 1.00 15.00 H new ATOM 522 N ARG A 312 -9.598 3.287 -1.163 1.00 15.00 N ATOM 523 CA ARG A 312 -9.915 4.567 -1.795 1.00 15.00 C ATOM 524 C ARG A 312 -10.623 4.364 -3.132 1.00 15.00 C ATOM 525 O ARG A 312 -11.683 4.943 -3.369 1.00 15.00 O ATOM 526 CB ARG A 312 -8.654 5.405 -2.021 1.00 15.00 C ATOM 527 CG ARG A 312 -7.877 5.710 -0.757 1.00 15.00 C ATOM 528 CD ARG A 312 -6.726 6.662 -1.040 1.00 15.00 C ATOM 529 NE ARG A 312 -7.196 7.938 -1.586 1.00 15.00 N ATOM 530 CZ ARG A 312 -7.076 9.108 -0.956 1.00 15.00 C ATOM 531 NH1 ARG A 312 -6.439 9.174 0.200 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -7.566 10.215 -1.494 1.00 15.00 N ATOM 0 H ARG A 312 -8.631 2.983 -1.274 1.00 15.00 H new ATOM 0 HA ARG A 312 -10.580 5.098 -1.114 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -8.001 4.878 -2.717 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -8.936 6.344 -2.497 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -8.543 6.150 -0.014 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -7.491 4.784 -0.331 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -6.170 6.843 -0.120 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.035 6.198 -1.744 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.642 7.931 -2.503 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -6.039 8.330 0.611 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -6.347 10.069 0.681 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -8.039 10.177 -2.397 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -7.470 11.105 -1.006 1.00 15.00 H new ATOM 546 N LEU A 313 -10.019 3.550 -3.993 1.00 15.00 N ATOM 547 CA LEU A 313 -10.517 3.308 -5.350 1.00 15.00 C ATOM 548 C LEU A 313 -11.988 2.903 -5.358 1.00 15.00 C ATOM 549 O LEU A 313 -12.837 3.755 -5.686 1.00 15.00 O ATOM 550 CB LEU A 313 -9.677 2.224 -6.030 1.00 15.00 C ATOM 551 CG LEU A 313 -8.194 2.564 -6.196 1.00 15.00 C ATOM 552 CD1 LEU A 313 -7.427 1.361 -6.715 1.00 15.00 C ATOM 553 CD2 LEU A 313 -8.020 3.752 -7.129 1.00 15.00 C ATOM 0 H LEU A 313 -9.166 3.036 -3.771 1.00 15.00 H new ATOM 0 HA LEU A 313 -10.430 4.244 -5.902 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -9.761 1.304 -5.451 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -10.100 2.021 -7.014 1.00 15.00 H new ATOM 0 HG LEU A 313 -7.791 2.833 -5.219 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -6.374 1.621 -6.827 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -7.524 0.536 -6.010 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -7.831 1.061 -7.682 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -6.959 3.979 -7.235 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -8.439 3.512 -8.106 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -8.537 4.618 -6.716 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 -2.192 -9.100 -7.951 1.00 15.00 N ATOM 567 CA ASP B 221 -0.751 -9.176 -8.278 1.00 15.00 C ATOM 568 C ASP B 221 -0.043 -10.138 -7.320 1.00 15.00 C ATOM 569 O ASP B 221 -0.630 -10.565 -6.322 1.00 15.00 O ATOM 570 CB ASP B 221 -0.125 -7.770 -8.226 1.00 15.00 C ATOM 571 CG ASP B 221 1.339 -7.765 -8.601 1.00 15.00 C ATOM 572 OD1 ASP B 221 1.703 -8.450 -9.584 1.00 15.00 O ATOM 573 OD2 ASP B 221 2.125 -7.076 -7.930 1.00 15.00 O1- ATOM 0 HA ASP B 221 -0.630 -9.562 -9.290 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.670 -7.110 -8.901 1.00 15.00 H new ATOM 0 HB3 ASP B 221 -0.239 -7.364 -7.221 1.00 15.00 H new ATOM 578 N THR B 222 1.201 -10.486 -7.644 1.00 15.00 N ATOM 579 CA THR B 222 2.002 -11.424 -6.857 1.00 15.00 C ATOM 580 C THR B 222 2.092 -10.977 -5.396 1.00 15.00 C ATOM 581 O THR B 222 2.120 -9.782 -5.128 1.00 15.00 O ATOM 582 CB THR B 222 3.420 -11.560 -7.477 1.00 15.00 C ATOM 583 OG1 THR B 222 4.295 -12.303 -6.622 1.00 15.00 O ATOM 584 CG2 THR B 222 4.027 -10.193 -7.763 1.00 15.00 C ATOM 0 H THR B 222 1.685 -10.123 -8.465 1.00 15.00 H new ATOM 0 HA THR B 222 1.513 -12.398 -6.877 1.00 15.00 H new ATOM 0 HB THR B 222 3.307 -12.101 -8.416 1.00 15.00 H new ATOM 0 HG1 THR B 222 5.179 -12.373 -7.040 1.00 15.00 H new ATOM 0 HG21 THR B 222 5.019 -10.319 -8.196 1.00 15.00 H new ATOM 0 HG22 THR B 222 3.391 -9.652 -8.464 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.106 -9.628 -6.834 1.00 15.00 H new ATOM 592 N PRO B 223 2.171 -11.932 -4.436 1.00 15.00 N ATOM 593 CA PRO B 223 2.090 -11.630 -2.998 1.00 15.00 C ATOM 594 C PRO B 223 3.007 -10.480 -2.592 1.00 15.00 C ATOM 595 O PRO B 223 4.193 -10.461 -2.936 1.00 15.00 O ATOM 596 CB PRO B 223 2.548 -12.933 -2.344 1.00 15.00 C ATOM 597 CG PRO B 223 2.164 -13.993 -3.316 1.00 15.00 C ATOM 598 CD PRO B 223 2.316 -13.381 -4.683 1.00 15.00 C ATOM 0 HA PRO B 223 1.090 -11.312 -2.702 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.623 -12.930 -2.164 1.00 15.00 H new ATOM 0 HB3 PRO B 223 2.064 -13.085 -1.379 1.00 15.00 H new ATOM 0 HG2 PRO B 223 2.802 -14.870 -3.209 1.00 15.00 H new ATOM 0 HG3 PRO B 223 1.139 -14.323 -3.148 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.285 -13.617 -5.122 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.556 -13.748 -5.373 1.00 15.00 H new ATOM 606 N PRO B 224 2.462 -9.525 -1.820 1.00 15.00 N ATOM 607 CA PRO B 224 3.075 -8.208 -1.626 1.00 15.00 C ATOM 608 C PRO B 224 4.426 -8.242 -0.933 1.00 15.00 C ATOM 609 O PRO B 224 4.651 -9.021 -0.002 1.00 15.00 O ATOM 610 CB PRO B 224 2.065 -7.474 -0.750 1.00 15.00 C ATOM 611 CG PRO B 224 1.345 -8.552 -0.034 1.00 15.00 C ATOM 612 CD PRO B 224 1.215 -9.659 -1.038 1.00 15.00 C ATOM 0 HA PRO B 224 3.279 -7.737 -2.588 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.561 -6.797 -0.054 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.383 -6.871 -1.350 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.898 -8.880 0.847 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.368 -8.214 0.311 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.139 -10.635 -0.559 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.329 -9.540 -1.662 1.00 15.00 H new ATOM 620 N PRO B 225 5.331 -7.379 -1.405 1.00 15.00 N ATOM 621 CA PRO B 225 6.623 -7.108 -0.760 1.00 15.00 C ATOM 622 C PRO B 225 6.472 -6.656 0.692 1.00 15.00 C ATOM 623 O PRO B 225 5.363 -6.390 1.162 1.00 15.00 O ATOM 624 CB PRO B 225 7.175 -5.946 -1.591 1.00 15.00 C ATOM 625 CG PRO B 225 6.551 -6.106 -2.926 1.00 15.00 C ATOM 626 CD PRO B 225 5.167 -6.604 -2.651 1.00 15.00 C ATOM 0 HA PRO B 225 7.254 -7.996 -0.728 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.918 -4.985 -1.147 1.00 15.00 H new ATOM 0 HB3 PRO B 225 8.262 -5.987 -1.655 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.530 -5.160 -3.467 1.00 15.00 H new ATOM 0 HG3 PRO B 225 7.109 -6.812 -3.540 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.461 -5.783 -2.525 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.793 -7.224 -3.465 1.00 15.00 H new ATOM 634 N ALA B 226 7.597 -6.555 1.395 1.00 15.00 N ATOM 635 CA ALA B 226 7.611 -5.955 2.722 1.00 15.00 C ATOM 636 C ALA B 226 7.224 -4.484 2.614 1.00 15.00 C ATOM 637 O ALA B 226 7.215 -3.924 1.517 1.00 15.00 O ATOM 638 CB ALA B 226 8.984 -6.106 3.360 1.00 15.00 C ATOM 0 H ALA B 226 8.507 -6.880 1.068 1.00 15.00 H new ATOM 0 HA ALA B 226 6.889 -6.467 3.358 1.00 15.00 H new ATOM 0 HB1 ALA B 226 8.977 -5.652 4.351 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.230 -7.164 3.447 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.730 -5.610 2.739 1.00 15.00 H new ATOM 644 N TYR B 227 6.910 -3.844 3.729 1.00 15.00 N ATOM 645 CA TYR B 227 6.419 -2.480 3.658 1.00 15.00 C ATOM 646 C TYR B 227 7.561 -1.467 3.729 1.00 15.00 C ATOM 647 O TYR B 227 8.479 -1.574 4.546 1.00 15.00 O ATOM 648 CB TYR B 227 5.368 -2.203 4.740 1.00 15.00 C ATOM 649 CG TYR B 227 5.931 -1.775 6.075 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.356 -2.707 7.009 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.038 -0.431 6.395 1.00 15.00 C ATOM 652 CE1 TYR B 227 6.873 -2.308 8.223 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.551 -0.020 7.601 1.00 15.00 C ATOM 654 CZ TYR B 227 6.971 -0.962 8.519 1.00 15.00 C ATOM 655 OH TYR B 227 7.486 -0.563 9.733 1.00 15.00 O ATOM 0 H TYR B 227 6.984 -4.234 4.669 1.00 15.00 H new ATOM 0 HA TYR B 227 5.934 -2.363 2.689 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.693 -1.427 4.380 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.770 -3.103 4.885 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.281 -3.760 6.782 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.711 0.310 5.680 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.201 -3.046 8.941 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.625 1.033 7.830 1.00 15.00 H new ATOM 0 HH TYR B 227 7.487 0.416 9.782 1.00 15.00 H new ATOM 665 N LEU B 228 7.475 -0.494 2.843 1.00 15.00 N ATOM 666 CA LEU B 228 8.425 0.602 2.748 1.00 15.00 C ATOM 667 C LEU B 228 7.649 1.908 2.711 1.00 15.00 C ATOM 668 O LEU B 228 6.471 1.901 2.399 1.00 15.00 O ATOM 669 CB LEU B 228 9.303 0.493 1.486 1.00 15.00 C ATOM 670 CG LEU B 228 10.286 -0.682 1.433 1.00 15.00 C ATOM 671 CD1 LEU B 228 9.591 -1.964 1.001 1.00 15.00 C ATOM 672 CD2 LEU B 228 11.438 -0.364 0.492 1.00 15.00 C ATOM 0 H LEU B 228 6.726 -0.441 2.152 1.00 15.00 H new ATOM 0 HA LEU B 228 9.087 0.563 3.613 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.646 0.427 0.619 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.872 1.418 1.386 1.00 15.00 H new ATOM 0 HG LEU B 228 10.680 -0.836 2.437 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.315 -2.779 0.973 1.00 15.00 H new ATOM 0 HD12 LEU B 228 8.800 -2.206 1.711 1.00 15.00 H new ATOM 0 HD13 LEU B 228 9.160 -1.828 0.009 1.00 15.00 H new ATOM 0 HD21 LEU B 228 12.128 -1.207 0.464 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.049 -0.180 -0.510 1.00 15.00 H new ATOM 0 HD23 LEU B 228 11.963 0.523 0.846 1.00 15.00 H new ATOM 684 N PRO B 229 8.272 3.049 3.005 1.00 15.00 N ATOM 685 CA PRO B 229 7.577 4.328 2.897 1.00 15.00 C ATOM 686 C PRO B 229 7.709 4.882 1.479 1.00 15.00 C ATOM 687 O PRO B 229 8.739 4.713 0.829 1.00 15.00 O ATOM 688 CB PRO B 229 8.336 5.228 3.890 1.00 15.00 C ATOM 689 CG PRO B 229 9.302 4.328 4.591 1.00 15.00 C ATOM 690 CD PRO B 229 9.568 3.191 3.653 1.00 15.00 C ATOM 0 HA PRO B 229 6.510 4.257 3.109 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.856 6.033 3.371 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.651 5.695 4.598 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.224 4.858 4.832 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.886 3.968 5.532 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.361 3.422 2.941 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.866 2.284 4.180 1.00 15.00 H new ATOM 698 N PRO B 230 6.661 5.578 0.997 1.00 15.00 N ATOM 699 CA PRO B 230 6.261 5.510 -0.403 1.00 15.00 C ATOM 700 C PRO B 230 6.898 6.521 -1.347 1.00 15.00 C ATOM 701 O PRO B 230 7.073 7.697 -1.023 1.00 15.00 O ATOM 702 CB PRO B 230 4.765 5.782 -0.292 1.00 15.00 C ATOM 703 CG PRO B 230 4.638 6.769 0.821 1.00 15.00 C ATOM 704 CD PRO B 230 5.815 6.544 1.739 1.00 15.00 C ATOM 0 HA PRO B 230 6.569 4.562 -0.844 1.00 15.00 H new ATOM 0 HB2 PRO B 230 4.366 6.183 -1.224 1.00 15.00 H new ATOM 0 HB3 PRO B 230 4.212 4.868 -0.075 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.638 7.789 0.436 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.698 6.630 1.356 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.349 7.473 1.940 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.500 6.143 2.702 1.00 15.00 H new ATOM 712 N GLU B 231 7.224 6.019 -2.529 1.00 15.00 N ATOM 713 CA GLU B 231 7.519 6.846 -3.685 1.00 15.00 C ATOM 714 C GLU B 231 6.242 6.986 -4.521 1.00 15.00 C ATOM 715 O GLU B 231 5.582 5.984 -4.802 1.00 15.00 O ATOM 716 CB GLU B 231 8.631 6.215 -4.541 1.00 15.00 C ATOM 717 CG GLU B 231 8.510 4.703 -4.694 1.00 15.00 C ATOM 718 CD GLU B 231 9.299 3.958 -3.641 1.00 15.00 C ATOM 719 OE1 GLU B 231 8.772 3.777 -2.529 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 10.435 3.526 -3.925 1.00 15.00 O ATOM 0 H GLU B 231 7.291 5.018 -2.712 1.00 15.00 H new ATOM 0 HA GLU B 231 7.864 7.824 -3.349 1.00 15.00 H new ATOM 0 HB2 GLU B 231 8.618 6.673 -5.530 1.00 15.00 H new ATOM 0 HB3 GLU B 231 9.597 6.449 -4.094 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.460 4.416 -4.630 1.00 15.00 H new ATOM 0 HG3 GLU B 231 8.861 4.410 -5.684 1.00 15.00 H new ATOM 727 N ASP B 232 5.875 8.204 -4.912 1.00 15.00 N ATOM 728 CA ASP B 232 4.673 8.404 -5.715 1.00 15.00 C ATOM 729 C ASP B 232 4.823 9.618 -6.621 1.00 15.00 C ATOM 730 O ASP B 232 4.899 10.755 -6.148 1.00 15.00 O ATOM 731 CB ASP B 232 3.439 8.561 -4.818 1.00 15.00 C ATOM 732 CG ASP B 232 2.180 8.875 -5.609 1.00 15.00 C ATOM 733 OD1 ASP B 232 1.706 7.995 -6.358 1.00 15.00 O ATOM 734 OD2 ASP B 232 1.656 10.002 -5.479 1.00 15.00 O1- ATOM 0 H ASP B 232 6.386 9.058 -4.689 1.00 15.00 H new ATOM 0 HA ASP B 232 4.537 7.521 -6.340 1.00 15.00 H new ATOM 0 HB2 ASP B 232 3.288 7.643 -4.250 1.00 15.00 H new ATOM 0 HB3 ASP B 232 3.618 9.357 -4.095 1.00 15.00 H new ATOM 739 N PRO B 233 4.914 9.387 -7.938 1.00 15.00 N ATOM 740 CA PRO B 233 5.014 10.453 -8.930 1.00 15.00 C ATOM 741 C PRO B 233 3.658 11.094 -9.216 1.00 15.00 C ATOM 742 O PRO B 233 2.974 10.735 -10.174 1.00 15.00 O ATOM 743 CB PRO B 233 5.545 9.737 -10.186 1.00 15.00 C ATOM 744 CG PRO B 233 5.802 8.319 -9.779 1.00 15.00 C ATOM 745 CD PRO B 233 4.949 8.068 -8.570 1.00 15.00 C ATOM 0 HA PRO B 233 5.656 11.266 -8.591 1.00 15.00 H new ATOM 0 HB2 PRO B 233 4.819 9.784 -10.997 1.00 15.00 H new ATOM 0 HB3 PRO B 233 6.458 10.210 -10.548 1.00 15.00 H new ATOM 0 HG2 PRO B 233 5.547 7.631 -10.585 1.00 15.00 H new ATOM 0 HG3 PRO B 233 6.856 8.165 -9.550 1.00 15.00 H new ATOM 0 HD2 PRO B 233 3.952 7.719 -8.840 1.00 15.00 H new ATOM 0 HD3 PRO B 233 5.384 7.314 -7.914 1.00 15.00 H new HETATM 753 N NH2 B 234 3.272 12.044 -8.378 1.00 15.00 N TER 756 NH2 B 234