USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 383 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 392 THR OG1 : rot -123:sc= 0.872 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.77 USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.912 K(o=0.77,f=-5.5!) USER MOD Set 2.2: B 211 TYR OH : rot 120:sc= -0.14 USER MOD Set 3.1: A 385 ASN :FLIP amide:sc= -7.22! C(o=-11!,f=-11!) USER MOD Set 3.2: A 388 ASN :FLIP amide:sc= -3.53! C(o=-15!,f=-11!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -178:sc= 0.222 (180deg=0.221) USER MOD Single : A 378 LYS NZ :NH3+ 162:sc= 2.44 (180deg=0.853!) USER MOD Single : A 381 THR OG1 : rot 45:sc= 0.345 USER MOD Single : A 382 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 46:sc= 0.676 USER MOD Single : B 206 SER OG : rot 180:sc= 0.00587 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 160:sc= -0.128 (180deg=-0.697) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -16.314 -1.911 -3.475 1.00 15.00 N ATOM 2 CA PRO A 365 -14.975 -1.855 -2.855 1.00 15.00 C ATOM 3 C PRO A 365 -14.871 -0.676 -1.896 1.00 15.00 C ATOM 4 O PRO A 365 -15.144 0.463 -2.270 1.00 15.00 O ATOM 5 CB PRO A 365 -13.934 -1.741 -3.959 1.00 15.00 C ATOM 6 CG PRO A 365 -14.736 -1.765 -5.217 1.00 15.00 C ATOM 7 CD PRO A 365 -16.082 -2.354 -4.858 1.00 15.00 C ATOM 0 HA PRO A 365 -14.802 -2.763 -2.277 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -13.358 -0.820 -3.871 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -13.223 -2.566 -3.923 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -14.849 -0.760 -5.624 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -14.241 -2.365 -5.981 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -16.864 -1.996 -5.527 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -16.073 -3.441 -4.931 1.00 15.00 H new ATOM 17 N GLY A 366 -14.472 -0.953 -0.660 1.00 15.00 N ATOM 18 CA GLY A 366 -14.363 0.094 0.334 1.00 15.00 C ATOM 19 C GLY A 366 -13.010 0.778 0.316 1.00 15.00 C ATOM 20 O GLY A 366 -11.987 0.150 0.591 1.00 15.00 O ATOM 0 H GLY A 366 -14.222 -1.885 -0.330 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.143 0.836 0.162 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -14.539 -0.330 1.323 1.00 15.00 H new ATOM 24 N LEU A 367 -13.007 2.055 -0.031 1.00 15.00 N ATOM 25 CA LEU A 367 -11.787 2.843 -0.051 1.00 15.00 C ATOM 26 C LEU A 367 -11.844 3.886 1.062 1.00 15.00 C ATOM 27 O LEU A 367 -12.632 4.832 0.994 1.00 15.00 O ATOM 28 CB LEU A 367 -11.622 3.529 -1.415 1.00 15.00 C ATOM 29 CG LEU A 367 -10.180 3.831 -1.858 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.191 4.468 -3.237 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.463 4.743 -0.874 1.00 15.00 C ATOM 0 H LEU A 367 -13.844 2.571 -0.305 1.00 15.00 H new ATOM 0 HA LEU A 367 -10.930 2.189 0.111 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -12.088 2.899 -2.173 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.177 4.467 -1.395 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.637 2.887 -1.889 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.168 4.681 -3.548 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.652 3.784 -3.950 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.761 5.397 -3.204 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.448 4.931 -1.225 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.001 5.688 -0.796 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.426 4.265 0.105 1.00 15.00 H new ATOM 43 N PRO A 368 -11.033 3.718 2.112 1.00 15.00 N ATOM 44 CA PRO A 368 -10.969 4.668 3.209 1.00 15.00 C ATOM 45 C PRO A 368 -9.926 5.760 2.968 1.00 15.00 C ATOM 46 O PRO A 368 -8.849 5.502 2.424 1.00 15.00 O ATOM 47 CB PRO A 368 -10.576 3.789 4.398 1.00 15.00 C ATOM 48 CG PRO A 368 -9.885 2.588 3.823 1.00 15.00 C ATOM 49 CD PRO A 368 -10.145 2.568 2.336 1.00 15.00 C ATOM 0 HA PRO A 368 -11.906 5.207 3.351 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.917 4.328 5.079 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.455 3.495 4.971 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.814 2.633 4.022 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.258 1.675 4.287 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.219 2.662 1.768 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.615 1.635 2.026 1.00 15.00 H new ATOM 57 N SER A 369 -10.243 6.970 3.402 1.00 15.00 N ATOM 58 CA SER A 369 -9.398 8.125 3.147 1.00 15.00 C ATOM 59 C SER A 369 -8.098 8.043 3.937 1.00 15.00 C ATOM 60 O SER A 369 -8.096 8.054 5.171 1.00 15.00 O ATOM 61 CB SER A 369 -10.151 9.407 3.489 1.00 15.00 C ATOM 62 OG SER A 369 -11.310 9.545 2.680 1.00 15.00 O ATOM 0 H SER A 369 -11.086 7.178 3.937 1.00 15.00 H new ATOM 0 HA SER A 369 -9.142 8.134 2.087 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.436 9.396 4.541 1.00 15.00 H new ATOM 0 HB3 SER A 369 -9.497 10.267 3.345 1.00 15.00 H new ATOM 0 HG SER A 369 -11.778 10.373 2.917 1.00 15.00 H new ATOM 68 N GLY A 370 -6.996 7.968 3.209 1.00 15.00 N ATOM 69 CA GLY A 370 -5.701 7.786 3.821 1.00 15.00 C ATOM 70 C GLY A 370 -4.955 6.653 3.156 1.00 15.00 C ATOM 71 O GLY A 370 -3.726 6.574 3.222 1.00 15.00 O ATOM 0 H GLY A 370 -6.978 8.031 2.191 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.122 8.706 3.741 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -5.821 7.576 4.884 1.00 15.00 H new ATOM 75 N TRP A 371 -5.717 5.782 2.514 1.00 15.00 N ATOM 76 CA TRP A 371 -5.165 4.669 1.761 1.00 15.00 C ATOM 77 C TRP A 371 -5.037 5.046 0.291 1.00 15.00 C ATOM 78 O TRP A 371 -5.999 5.512 -0.317 1.00 15.00 O ATOM 79 CB TRP A 371 -6.076 3.443 1.874 1.00 15.00 C ATOM 80 CG TRP A 371 -6.175 2.851 3.249 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.679 3.446 4.372 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.786 1.529 3.637 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.627 2.572 5.431 1.00 15.00 N ATOM 84 CE2 TRP A 371 -6.079 1.390 5.007 1.00 15.00 C ATOM 85 CE3 TRP A 371 -5.212 0.450 2.960 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.821 0.216 5.709 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.956 -0.716 3.658 1.00 15.00 C ATOM 88 CH2 TRP A 371 -5.260 -0.824 5.021 1.00 15.00 C ATOM 0 H TRP A 371 -6.736 5.827 2.501 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.183 4.434 2.172 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.076 3.720 1.541 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.714 2.676 1.190 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.062 4.455 4.420 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.945 2.771 6.380 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.972 0.525 1.910 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -6.056 0.130 6.760 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.515 -1.557 3.144 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -5.047 -1.747 5.539 1.00 15.00 H new ATOM 99 N GLU A 372 -3.859 4.854 -0.279 1.00 15.00 N ATOM 100 CA GLU A 372 -3.691 5.017 -1.712 1.00 15.00 C ATOM 101 C GLU A 372 -3.424 3.658 -2.346 1.00 15.00 C ATOM 102 O GLU A 372 -2.482 2.956 -1.967 1.00 15.00 O ATOM 103 CB GLU A 372 -2.560 5.996 -2.053 1.00 15.00 C ATOM 104 CG GLU A 372 -2.596 7.300 -1.273 1.00 15.00 C ATOM 105 CD GLU A 372 -1.399 8.179 -1.575 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.316 8.709 -2.704 1.00 15.00 O ATOM 107 OE2 GLU A 372 -0.531 8.336 -0.690 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.012 4.588 0.224 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.611 5.440 -2.114 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.604 5.505 -1.870 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.603 6.224 -3.118 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.512 7.840 -1.513 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.625 7.082 -0.205 1.00 15.00 H new ATOM 114 N GLU A 373 -4.254 3.293 -3.309 1.00 15.00 N ATOM 115 CA GLU A 373 -4.165 1.992 -3.956 1.00 15.00 C ATOM 116 C GLU A 373 -3.328 2.127 -5.207 1.00 15.00 C ATOM 117 O GLU A 373 -3.844 2.432 -6.284 1.00 15.00 O ATOM 118 CB GLU A 373 -5.553 1.503 -4.331 1.00 15.00 C ATOM 119 CG GLU A 373 -6.617 2.018 -3.391 1.00 15.00 C ATOM 120 CD GLU A 373 -7.996 1.981 -4.014 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.194 2.635 -5.058 1.00 15.00 O ATOM 122 OE2 GLU A 373 -8.885 1.295 -3.472 1.00 15.00 O1- ATOM 0 H GLU A 373 -5.005 3.885 -3.664 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.708 1.276 -3.273 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.785 1.821 -5.348 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.565 0.413 -4.327 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.615 1.419 -2.480 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.379 3.041 -3.100 1.00 15.00 H new ATOM 129 N ARG A 374 -2.038 1.936 -5.068 1.00 15.00 N ATOM 130 CA ARG A 374 -1.125 2.344 -6.111 1.00 15.00 C ATOM 131 C ARG A 374 -0.394 1.165 -6.724 1.00 15.00 C ATOM 132 O ARG A 374 0.267 0.386 -6.033 1.00 15.00 O ATOM 133 CB ARG A 374 -0.163 3.377 -5.540 1.00 15.00 C ATOM 134 CG ARG A 374 -0.892 4.600 -5.004 1.00 15.00 C ATOM 135 CD ARG A 374 0.048 5.537 -4.266 1.00 15.00 C ATOM 136 NE ARG A 374 1.079 6.090 -5.145 1.00 15.00 N ATOM 137 CZ ARG A 374 1.331 7.391 -5.265 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.637 8.279 -4.565 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.292 7.804 -6.079 1.00 15.00 N ATOM 0 H ARG A 374 -1.600 1.506 -4.254 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.692 2.793 -6.926 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.422 2.924 -4.740 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.540 3.684 -6.314 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.363 5.133 -5.830 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.690 4.283 -4.333 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.526 6.352 -3.825 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.523 5.000 -3.445 1.00 15.00 H new ATOM 0 HE ARG A 374 1.637 5.440 -5.698 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -0.096 7.966 -3.929 1.00 15.00 H new ATOM 0 HH12 ARG A 374 0.837 9.274 -4.663 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.836 7.125 -6.611 1.00 15.00 H new ATOM 0 HH22 ARG A 374 2.487 8.801 -6.173 1.00 15.00 H new ATOM 153 N LYS A 375 -0.534 1.045 -8.032 1.00 15.00 N ATOM 154 CA LYS A 375 0.085 -0.031 -8.778 1.00 15.00 C ATOM 155 C LYS A 375 1.245 0.520 -9.591 1.00 15.00 C ATOM 156 O LYS A 375 1.069 1.432 -10.399 1.00 15.00 O ATOM 157 CB LYS A 375 -0.926 -0.710 -9.715 1.00 15.00 C ATOM 158 CG LYS A 375 -2.188 -1.221 -9.028 1.00 15.00 C ATOM 159 CD LYS A 375 -3.199 -0.106 -8.804 1.00 15.00 C ATOM 160 CE LYS A 375 -4.474 -0.623 -8.155 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.515 0.436 -8.046 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.079 1.690 -8.604 1.00 15.00 H new ATOM 0 HA LYS A 375 0.447 -0.777 -8.070 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.213 -0.002 -10.492 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.435 -1.547 -10.212 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.640 -2.005 -9.635 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.924 -1.671 -8.071 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.756 0.665 -8.173 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.441 0.363 -9.758 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.865 -1.457 -8.738 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.244 -1.009 -7.162 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -6.354 0.050 -7.568 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -5.141 1.236 -7.497 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.779 0.763 -8.997 1.00 15.00 H new ATOM 175 N ASP A 376 2.422 -0.036 -9.378 1.00 15.00 N ATOM 176 CA ASP A 376 3.611 0.404 -10.095 1.00 15.00 C ATOM 177 C ASP A 376 3.757 -0.408 -11.380 1.00 15.00 C ATOM 178 O ASP A 376 3.370 -1.577 -11.426 1.00 15.00 O ATOM 179 CB ASP A 376 4.854 0.247 -9.215 1.00 15.00 C ATOM 180 CG ASP A 376 5.992 1.155 -9.646 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.307 1.203 -10.851 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 6.590 1.822 -8.776 1.00 15.00 O ATOM 0 H ASP A 376 2.584 -0.794 -8.715 1.00 15.00 H new ATOM 0 HA ASP A 376 3.508 1.459 -10.349 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.592 0.465 -8.180 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.189 -0.790 -9.247 1.00 15.00 H new ATOM 187 N ALA A 377 4.351 0.210 -12.400 1.00 15.00 N ATOM 188 CA ALA A 377 4.387 -0.334 -13.761 1.00 15.00 C ATOM 189 C ALA A 377 5.104 -1.686 -13.859 1.00 15.00 C ATOM 190 O ALA A 377 4.922 -2.413 -14.836 1.00 15.00 O ATOM 191 CB ALA A 377 5.031 0.673 -14.700 1.00 15.00 C ATOM 0 H ALA A 377 4.825 1.109 -12.307 1.00 15.00 H new ATOM 0 HA ALA A 377 3.353 -0.515 -14.055 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.056 0.264 -15.710 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.452 1.596 -14.696 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.048 0.881 -14.368 1.00 15.00 H new ATOM 197 N LYS A 378 5.915 -2.032 -12.862 1.00 15.00 N ATOM 198 CA LYS A 378 6.573 -3.344 -12.839 1.00 15.00 C ATOM 199 C LYS A 378 5.546 -4.437 -12.571 1.00 15.00 C ATOM 200 O LYS A 378 5.811 -5.624 -12.755 1.00 15.00 O ATOM 201 CB LYS A 378 7.669 -3.450 -11.777 1.00 15.00 C ATOM 202 CG LYS A 378 8.585 -2.251 -11.665 1.00 15.00 C ATOM 203 CD LYS A 378 8.076 -1.296 -10.608 1.00 15.00 C ATOM 204 CE LYS A 378 9.220 -0.573 -9.912 1.00 15.00 C ATOM 205 NZ LYS A 378 8.762 0.148 -8.701 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.133 -1.433 -12.066 1.00 15.00 H new ATOM 0 HA LYS A 378 7.038 -3.467 -13.817 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.197 -3.617 -10.809 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.275 -4.330 -11.992 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.594 -2.578 -11.413 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.646 -1.741 -12.626 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.408 -0.566 -11.066 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.490 -1.846 -9.871 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.990 -1.293 -9.636 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.677 0.134 -10.604 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.580 0.365 -8.096 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.293 1.033 -8.981 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.091 -0.448 -8.175 1.00 15.00 H new ATOM 219 N GLY A 379 4.381 -4.014 -12.115 1.00 15.00 N ATOM 220 CA GLY A 379 3.398 -4.928 -11.594 1.00 15.00 C ATOM 221 C GLY A 379 3.578 -5.111 -10.109 1.00 15.00 C ATOM 222 O GLY A 379 3.814 -6.215 -9.617 1.00 15.00 O ATOM 0 H GLY A 379 4.097 -3.034 -12.098 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.397 -4.550 -11.801 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.486 -5.891 -12.098 1.00 15.00 H new ATOM 226 N ARG A 380 3.480 -3.998 -9.402 1.00 15.00 N ATOM 227 CA ARG A 380 3.626 -3.973 -7.959 1.00 15.00 C ATOM 228 C ARG A 380 2.388 -3.331 -7.344 1.00 15.00 C ATOM 229 O ARG A 380 2.148 -2.139 -7.527 1.00 15.00 O ATOM 230 CB ARG A 380 4.875 -3.178 -7.578 1.00 15.00 C ATOM 231 CG ARG A 380 6.143 -3.667 -8.263 1.00 15.00 C ATOM 232 CD ARG A 380 6.621 -4.991 -7.696 1.00 15.00 C ATOM 233 NE ARG A 380 7.065 -4.857 -6.310 1.00 15.00 N ATOM 234 CZ ARG A 380 7.174 -5.876 -5.462 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.870 -7.107 -5.857 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.596 -5.664 -4.225 1.00 15.00 N ATOM 0 H ARG A 380 3.296 -3.084 -9.815 1.00 15.00 H new ATOM 0 HA ARG A 380 3.732 -4.990 -7.582 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.718 -2.129 -7.829 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.013 -3.230 -6.498 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.959 -3.776 -9.332 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.928 -2.919 -8.149 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.815 -5.723 -7.751 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.440 -5.373 -8.305 1.00 15.00 H new ATOM 0 HE ARG A 380 7.306 -3.925 -5.972 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.552 -7.272 -6.812 1.00 15.00 H new ATOM 0 HH12 ARG A 380 6.954 -7.887 -5.205 1.00 15.00 H new ATOM 0 HH21 ARG A 380 7.837 -4.720 -3.923 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.680 -6.445 -3.574 1.00 15.00 H new ATOM 250 N THR A 381 1.589 -4.126 -6.652 1.00 15.00 N ATOM 251 CA THR A 381 0.340 -3.642 -6.085 1.00 15.00 C ATOM 252 C THR A 381 0.429 -3.521 -4.568 1.00 15.00 C ATOM 253 O THR A 381 0.346 -4.518 -3.855 1.00 15.00 O ATOM 254 CB THR A 381 -0.824 -4.581 -6.458 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.467 -5.938 -6.159 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.170 -4.456 -7.934 1.00 15.00 C ATOM 0 H THR A 381 1.783 -5.111 -6.469 1.00 15.00 H new ATOM 0 HA THR A 381 0.154 -2.652 -6.502 1.00 15.00 H new ATOM 0 HB THR A 381 -1.698 -4.295 -5.873 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.055 -5.980 -5.271 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.994 -5.128 -8.173 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.464 -3.430 -8.153 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.300 -4.720 -8.535 1.00 15.00 H new ATOM 264 N TYR A 382 0.606 -2.302 -4.080 1.00 15.00 N ATOM 265 CA TYR A 382 0.726 -2.068 -2.650 1.00 15.00 C ATOM 266 C TYR A 382 -0.347 -1.103 -2.155 1.00 15.00 C ATOM 267 O TYR A 382 -0.546 -0.023 -2.719 1.00 15.00 O ATOM 268 CB TYR A 382 2.132 -1.543 -2.304 1.00 15.00 C ATOM 269 CG TYR A 382 2.648 -0.456 -3.229 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.325 0.882 -3.024 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.468 -0.771 -4.305 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.801 1.868 -3.866 1.00 15.00 C ATOM 273 CE2 TYR A 382 3.947 0.211 -5.151 1.00 15.00 C ATOM 274 CZ TYR A 382 3.611 1.528 -4.928 1.00 15.00 C ATOM 275 OH TYR A 382 4.083 2.508 -5.774 1.00 15.00 O ATOM 0 H TYR A 382 0.670 -1.461 -4.653 1.00 15.00 H new ATOM 0 HA TYR A 382 0.577 -3.020 -2.141 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.121 -1.158 -1.284 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.832 -2.379 -2.322 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.692 1.154 -2.193 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.736 -1.802 -4.484 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.539 2.901 -3.693 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.582 -0.053 -5.984 1.00 15.00 H new ATOM 0 HH TYR A 382 4.640 2.100 -6.469 1.00 15.00 H new ATOM 285 N TYR A 383 -1.054 -1.510 -1.112 1.00 15.00 N ATOM 286 CA TYR A 383 -2.016 -0.638 -0.459 1.00 15.00 C ATOM 287 C TYR A 383 -1.335 0.062 0.702 1.00 15.00 C ATOM 288 O TYR A 383 -0.955 -0.580 1.683 1.00 15.00 O ATOM 289 CB TYR A 383 -3.221 -1.433 0.051 1.00 15.00 C ATOM 290 CG TYR A 383 -3.923 -2.244 -1.013 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.505 -3.534 -1.310 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.006 -1.727 -1.715 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.141 -4.286 -2.273 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.652 -2.476 -2.681 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.213 -3.757 -2.956 1.00 15.00 C ATOM 296 OH TYR A 383 -5.849 -4.518 -3.908 1.00 15.00 O ATOM 0 H TYR A 383 -0.979 -2.440 -0.700 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.376 0.094 -1.181 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.890 -2.104 0.844 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.936 -0.741 0.496 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.666 -3.956 -0.776 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.348 -0.725 -1.502 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.800 -5.287 -2.492 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.494 -2.063 -3.217 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.586 -4.004 -4.299 1.00 15.00 H new ATOM 306 N VAL A 384 -1.140 1.361 0.581 1.00 15.00 N ATOM 307 CA VAL A 384 -0.452 2.121 1.611 1.00 15.00 C ATOM 308 C VAL A 384 -1.407 3.066 2.326 1.00 15.00 C ATOM 309 O VAL A 384 -2.219 3.739 1.695 1.00 15.00 O ATOM 310 CB VAL A 384 0.731 2.923 1.033 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.861 1.998 0.614 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.286 3.770 -0.139 1.00 15.00 C ATOM 0 H VAL A 384 -1.448 1.913 -0.219 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.062 1.399 2.328 1.00 15.00 H new ATOM 0 HB VAL A 384 1.100 3.584 1.817 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.683 2.588 0.210 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.210 1.435 1.479 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.502 1.307 -0.148 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.138 4.327 -0.530 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.117 3.126 -0.921 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.484 4.468 0.188 1.00 15.00 H new ATOM 322 N ASN A 385 -1.308 3.108 3.647 1.00 15.00 N ATOM 323 CA ASN A 385 -2.183 3.953 4.447 1.00 15.00 C ATOM 324 C ASN A 385 -1.383 4.943 5.281 1.00 15.00 C ATOM 325 O ASN A 385 -0.537 4.544 6.087 1.00 15.00 O ATOM 326 CB ASN A 385 -3.056 3.091 5.358 1.00 15.00 C ATOM 327 CG ASN A 385 -3.943 3.916 6.275 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.343 3.333 7.394 1.00 15.00 O flip ATOM 329 ND2 ASN A 385 -4.279 5.059 5.975 1.00 15.00 N flip ATOM 0 H ASN A 385 -0.632 2.568 4.187 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.819 4.519 3.766 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.680 2.440 4.746 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.417 2.446 5.961 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -3.950 5.475 5.104 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -4.886 5.592 6.597 1.00 15.00 H new ATOM 336 N HIS A 386 -1.683 6.230 5.095 1.00 15.00 N ATOM 337 CA HIS A 386 -1.021 7.303 5.840 1.00 15.00 C ATOM 338 C HIS A 386 -1.468 7.313 7.297 1.00 15.00 C ATOM 339 O HIS A 386 -0.763 7.827 8.161 1.00 15.00 O ATOM 340 CB HIS A 386 -1.329 8.682 5.241 1.00 15.00 C ATOM 341 CG HIS A 386 -0.737 8.945 3.891 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.467 9.590 3.712 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.211 8.688 2.650 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.702 9.724 2.419 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.301 9.183 1.752 1.00 15.00 N ATOM 0 H HIS A 386 -2.385 6.556 4.430 1.00 15.00 H new ATOM 0 HA HIS A 386 0.049 7.108 5.776 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.411 8.796 5.172 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -0.971 9.447 5.931 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.136 8.185 2.411 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.569 10.197 1.981 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.385 9.140 0.736 1.00 15.00 H new ATOM 354 N ASN A 387 -2.656 6.774 7.558 1.00 15.00 N ATOM 355 CA ASN A 387 -3.230 6.804 8.902 1.00 15.00 C ATOM 356 C ASN A 387 -2.337 6.059 9.891 1.00 15.00 C ATOM 357 O ASN A 387 -1.922 6.609 10.910 1.00 15.00 O ATOM 358 CB ASN A 387 -4.636 6.197 8.908 1.00 15.00 C ATOM 359 CG ASN A 387 -5.302 6.278 10.270 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.055 7.205 11.038 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.150 5.309 10.578 1.00 15.00 N ATOM 0 H ASN A 387 -3.239 6.312 6.860 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.299 7.847 9.211 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.254 6.714 8.174 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.579 5.154 8.597 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.625 5.315 11.481 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.328 4.557 9.913 1.00 15.00 H new ATOM 368 N ASN A 388 -2.040 4.812 9.567 1.00 15.00 N ATOM 369 CA ASN A 388 -1.216 3.966 10.424 1.00 15.00 C ATOM 370 C ASN A 388 0.236 3.933 9.950 1.00 15.00 C ATOM 371 O ASN A 388 1.115 3.468 10.670 1.00 15.00 O ATOM 372 CB ASN A 388 -1.802 2.545 10.526 1.00 15.00 C ATOM 373 CG ASN A 388 -2.220 1.951 9.188 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.467 2.223 8.134 1.00 15.00 O flip ATOM 375 ND2 ASN A 388 -3.213 1.231 9.105 1.00 15.00 N flip ATOM 0 H ASN A 388 -2.358 4.357 8.711 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.222 4.403 11.422 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.063 1.890 10.988 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.667 2.566 11.189 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.774 1.039 9.935 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -3.475 0.826 8.207 1.00 15.00 H new ATOM 382 N ARG A 389 0.465 4.398 8.716 1.00 15.00 N ATOM 383 CA ARG A 389 1.796 4.385 8.096 1.00 15.00 C ATOM 384 C ARG A 389 2.288 2.955 7.878 1.00 15.00 C ATOM 385 O ARG A 389 3.417 2.612 8.216 1.00 15.00 O ATOM 386 CB ARG A 389 2.809 5.172 8.940 1.00 15.00 C ATOM 387 CG ARG A 389 2.503 6.659 9.043 1.00 15.00 C ATOM 388 CD ARG A 389 3.512 7.368 9.930 1.00 15.00 C ATOM 389 NE ARG A 389 3.232 8.800 10.054 1.00 15.00 N ATOM 390 CZ ARG A 389 3.224 9.457 11.214 1.00 15.00 C ATOM 391 NH1 ARG A 389 3.468 8.818 12.348 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 2.970 10.760 11.241 1.00 15.00 N ATOM 0 H ARG A 389 -0.264 4.792 8.121 1.00 15.00 H new ATOM 0 HA ARG A 389 1.708 4.871 7.124 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.839 4.747 9.943 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.802 5.044 8.510 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.513 7.105 8.048 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.500 6.799 9.445 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.506 6.912 10.920 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.513 7.230 9.521 1.00 15.00 H new ATOM 0 HE ARG A 389 3.031 9.325 9.203 1.00 15.00 H new ATOM 0 HH11 ARG A 389 3.664 7.817 12.337 1.00 15.00 H new ATOM 0 HH12 ARG A 389 3.460 9.327 13.232 1.00 15.00 H new ATOM 0 HH21 ARG A 389 2.780 11.261 10.373 1.00 15.00 H new ATOM 0 HH22 ARG A 389 2.964 11.260 12.130 1.00 15.00 H new ATOM 406 N THR A 390 1.438 2.133 7.276 1.00 15.00 N ATOM 407 CA THR A 390 1.789 0.746 7.002 1.00 15.00 C ATOM 408 C THR A 390 1.064 0.261 5.748 1.00 15.00 C ATOM 409 O THR A 390 -0.013 0.765 5.408 1.00 15.00 O ATOM 410 CB THR A 390 1.498 -0.192 8.203 1.00 15.00 C ATOM 411 OG1 THR A 390 2.231 -1.414 8.055 1.00 15.00 O ATOM 412 CG2 THR A 390 0.020 -0.520 8.329 1.00 15.00 C ATOM 0 H THR A 390 0.503 2.402 6.969 1.00 15.00 H new ATOM 0 HA THR A 390 2.865 0.710 6.834 1.00 15.00 H new ATOM 0 HB THR A 390 1.809 0.335 9.105 1.00 15.00 H new ATOM 0 HG1 THR A 390 2.045 -2.002 8.817 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.135 -1.179 9.183 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.546 0.400 8.473 1.00 15.00 H new ATOM 0 HG23 THR A 390 -0.321 -1.017 7.421 1.00 15.00 H new ATOM 420 N THR A 391 1.687 -0.672 5.042 1.00 15.00 N ATOM 421 CA THR A 391 1.180 -1.148 3.766 1.00 15.00 C ATOM 422 C THR A 391 0.978 -2.671 3.775 1.00 15.00 C ATOM 423 O THR A 391 1.672 -3.395 4.495 1.00 15.00 O ATOM 424 CB THR A 391 2.139 -0.730 2.627 1.00 15.00 C ATOM 425 OG1 THR A 391 1.776 -1.362 1.395 1.00 15.00 O ATOM 426 CG2 THR A 391 3.583 -1.059 2.985 1.00 15.00 C ATOM 0 H THR A 391 2.555 -1.118 5.338 1.00 15.00 H new ATOM 0 HA THR A 391 0.206 -0.690 3.595 1.00 15.00 H new ATOM 0 HB THR A 391 2.053 0.349 2.498 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.807 -1.296 1.267 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.238 -0.756 2.169 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.863 -0.525 3.893 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.682 -2.132 3.150 1.00 15.00 H new ATOM 434 N THR A 392 0.008 -3.144 2.996 1.00 15.00 N ATOM 435 CA THR A 392 -0.327 -4.565 2.943 1.00 15.00 C ATOM 436 C THR A 392 -0.673 -4.987 1.511 1.00 15.00 C ATOM 437 O THR A 392 -1.127 -4.166 0.710 1.00 15.00 O ATOM 438 CB THR A 392 -1.505 -4.901 3.892 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.755 -6.316 3.894 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.771 -4.157 3.486 1.00 15.00 C ATOM 0 H THR A 392 -0.564 -2.558 2.388 1.00 15.00 H new ATOM 0 HA THR A 392 0.550 -5.122 3.274 1.00 15.00 H new ATOM 0 HB THR A 392 -1.225 -4.581 4.896 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.687 -6.484 3.640 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.579 -4.414 4.171 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.590 -3.083 3.525 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.051 -4.442 2.472 1.00 15.00 H new ATOM 448 N TRP A 393 -0.409 -6.254 1.179 1.00 15.00 N ATOM 449 CA TRP A 393 -0.732 -6.785 -0.147 1.00 15.00 C ATOM 450 C TRP A 393 -2.224 -7.078 -0.271 1.00 15.00 C ATOM 451 O TRP A 393 -2.765 -7.143 -1.376 1.00 15.00 O ATOM 452 CB TRP A 393 0.031 -8.083 -0.435 1.00 15.00 C ATOM 453 CG TRP A 393 1.521 -7.972 -0.348 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.330 -8.550 0.587 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.385 -7.250 -1.234 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.639 -8.237 0.333 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.699 -7.436 -0.774 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.177 -6.464 -2.369 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.799 -6.868 -1.406 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.270 -5.898 -2.999 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.569 -6.102 -2.514 1.00 15.00 C ATOM 0 H TRP A 393 0.026 -6.929 1.808 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.438 -6.021 -0.866 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.303 -8.847 0.267 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.235 -8.430 -1.434 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.988 -9.164 1.407 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.440 -8.551 0.881 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.179 -6.301 -2.749 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.801 -7.027 -1.034 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.120 -5.289 -3.878 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.404 -5.645 -3.025 1.00 15.00 H new ATOM 472 N THR A 394 -2.876 -7.285 0.863 1.00 15.00 N ATOM 473 CA THR A 394 -4.264 -7.713 0.877 1.00 15.00 C ATOM 474 C THR A 394 -5.218 -6.548 0.635 1.00 15.00 C ATOM 475 O THR A 394 -4.943 -5.411 1.026 1.00 15.00 O ATOM 476 CB THR A 394 -4.611 -8.406 2.208 1.00 15.00 C ATOM 477 OG1 THR A 394 -4.170 -7.606 3.317 1.00 15.00 O ATOM 478 CG2 THR A 394 -3.965 -9.781 2.284 1.00 15.00 C ATOM 0 H THR A 394 -2.463 -7.163 1.788 1.00 15.00 H new ATOM 0 HA THR A 394 -4.387 -8.426 0.062 1.00 15.00 H new ATOM 0 HB THR A 394 -5.694 -8.522 2.256 1.00 15.00 H new ATOM 0 HG1 THR A 394 -4.398 -8.057 4.157 1.00 15.00 H new ATOM 0 HG21 THR A 394 -4.223 -10.252 3.232 1.00 15.00 H new ATOM 0 HG22 THR A 394 -4.326 -10.399 1.462 1.00 15.00 H new ATOM 0 HG23 THR A 394 -2.882 -9.679 2.213 1.00 15.00 H new ATOM 486 N ARG A 395 -6.329 -6.839 -0.027 1.00 15.00 N ATOM 487 CA ARG A 395 -7.334 -5.831 -0.326 1.00 15.00 C ATOM 488 C ARG A 395 -8.259 -5.611 0.866 1.00 15.00 C ATOM 489 O ARG A 395 -8.988 -6.520 1.269 1.00 15.00 O ATOM 490 CB ARG A 395 -8.165 -6.248 -1.545 1.00 15.00 C ATOM 491 CG ARG A 395 -9.315 -5.297 -1.850 1.00 15.00 C ATOM 492 CD ARG A 395 -8.808 -3.922 -2.248 1.00 15.00 C ATOM 493 NE ARG A 395 -9.511 -2.846 -1.547 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.502 -1.577 -1.947 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.947 -1.248 -3.100 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.076 -0.636 -1.211 1.00 15.00 N ATOM 0 H ARG A 395 -6.557 -7.772 -0.369 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.814 -4.898 -0.544 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.513 -6.308 -2.416 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.565 -7.248 -1.377 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -9.925 -5.708 -2.654 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.958 -5.210 -0.975 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.741 -3.855 -2.035 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.927 -3.791 -3.323 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.037 -3.082 -0.705 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.524 -1.968 -3.686 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.942 -0.274 -3.404 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.529 -0.882 -0.331 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.065 0.335 -1.525 1.00 15.00 H new ATOM 510 N PRO A 396 -8.236 -4.408 1.453 1.00 15.00 N ATOM 511 CA PRO A 396 -9.177 -4.041 2.502 1.00 15.00 C ATOM 512 C PRO A 396 -10.568 -3.781 1.931 1.00 15.00 C ATOM 513 O PRO A 396 -10.787 -2.795 1.221 1.00 15.00 O ATOM 514 CB PRO A 396 -8.583 -2.765 3.096 1.00 15.00 C ATOM 515 CG PRO A 396 -7.775 -2.170 1.992 1.00 15.00 C ATOM 516 CD PRO A 396 -7.281 -3.323 1.156 1.00 15.00 C ATOM 0 HA PRO A 396 -9.306 -4.831 3.242 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -9.365 -2.081 3.426 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.963 -2.985 3.965 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.378 -1.487 1.394 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.940 -1.593 2.389 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.276 -3.074 0.095 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.262 -3.603 1.423 1.00 15.00 H new ATOM 524 N ILE A 397 -11.475 -4.718 2.156 1.00 15.00 N ATOM 525 CA ILE A 397 -12.854 -4.569 1.711 1.00 15.00 C ATOM 526 C ILE A 397 -13.699 -3.897 2.786 1.00 15.00 C ATOM 527 O ILE A 397 -14.513 -3.021 2.499 1.00 15.00 O ATOM 528 CB ILE A 397 -13.481 -5.928 1.344 1.00 15.00 C ATOM 529 CG1 ILE A 397 -12.601 -6.658 0.325 1.00 15.00 C ATOM 530 CG2 ILE A 397 -14.886 -5.731 0.790 1.00 15.00 C ATOM 531 CD1 ILE A 397 -13.092 -8.046 -0.019 1.00 15.00 C ATOM 0 H ILE A 397 -11.282 -5.592 2.645 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.837 -3.942 0.819 1.00 15.00 H new ATOM 0 HB ILE A 397 -13.548 -6.537 2.245 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -12.549 -6.064 -0.588 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -11.587 -6.728 0.718 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -15.316 -6.700 0.535 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -15.508 -5.244 1.541 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -14.841 -5.108 -0.103 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -12.419 -8.500 -0.746 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -13.118 -8.657 0.883 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -14.094 -7.983 -0.443 1.00 15.00 H new ATOM 543 N GLY A 398 -13.494 -4.325 4.024 1.00 15.00 N ATOM 544 CA GLY A 398 -14.259 -3.807 5.137 1.00 15.00 C ATOM 545 C GLY A 398 -13.685 -2.516 5.671 1.00 15.00 C ATOM 546 O GLY A 398 -14.184 -1.438 5.292 1.00 15.00 O ATOM 547 OXT GLY A 398 -12.725 -2.577 6.459 1.00 15.00 O ATOM 0 H GLY A 398 -12.802 -5.030 4.278 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -15.289 -3.642 4.822 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -14.285 -4.549 5.935 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 0.114 -13.156 -1.752 1.00 15.00 N ATOM 553 CA GLU B 203 0.728 -13.041 -3.095 1.00 15.00 C ATOM 554 C GLU B 203 2.093 -13.724 -3.137 1.00 15.00 C ATOM 555 O GLU B 203 2.757 -13.713 -4.173 1.00 15.00 O ATOM 556 CB GLU B 203 0.881 -11.567 -3.487 1.00 15.00 C ATOM 557 CG GLU B 203 -0.440 -10.832 -3.624 1.00 15.00 C ATOM 558 CD GLU B 203 -1.385 -11.521 -4.589 1.00 15.00 C ATOM 559 OE1 GLU B 203 -1.217 -11.357 -5.812 1.00 15.00 O1- ATOM 560 OE2 GLU B 203 -2.291 -12.243 -4.122 1.00 15.00 O ATOM 0 HA GLU B 203 0.068 -13.539 -3.806 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.491 -11.062 -2.738 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.421 -11.506 -4.432 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -0.915 -10.757 -2.646 1.00 15.00 H new ATOM 0 HG3 GLU B 203 -0.253 -9.814 -3.966 1.00 15.00 H new ATOM 569 N LEU B 204 2.504 -14.319 -2.008 1.00 15.00 N ATOM 570 CA LEU B 204 3.829 -14.945 -1.883 1.00 15.00 C ATOM 571 C LEU B 204 4.936 -13.898 -2.020 1.00 15.00 C ATOM 572 O LEU B 204 6.113 -14.225 -2.193 1.00 15.00 O ATOM 573 CB LEU B 204 4.008 -16.058 -2.927 1.00 15.00 C ATOM 574 CG LEU B 204 3.042 -17.240 -2.788 1.00 15.00 C ATOM 575 CD1 LEU B 204 3.279 -18.253 -3.895 1.00 15.00 C ATOM 576 CD2 LEU B 204 3.195 -17.899 -1.425 1.00 15.00 C ATOM 0 H LEU B 204 1.935 -14.380 -1.164 1.00 15.00 H new ATOM 0 HA LEU B 204 3.900 -15.393 -0.892 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.888 -15.626 -3.920 1.00 15.00 H new ATOM 0 HB3 LEU B 204 5.029 -16.434 -2.864 1.00 15.00 H new ATOM 0 HG LEU B 204 2.023 -16.862 -2.876 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.585 -19.086 -3.781 1.00 15.00 H new ATOM 0 HD12 LEU B 204 3.120 -17.778 -4.863 1.00 15.00 H new ATOM 0 HD13 LEU B 204 4.302 -18.623 -3.836 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.501 -18.736 -1.345 1.00 15.00 H new ATOM 0 HD22 LEU B 204 4.216 -18.262 -1.309 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.978 -17.172 -0.643 1.00 15.00 H new ATOM 588 N GLU B 205 4.544 -12.639 -1.897 1.00 15.00 N ATOM 589 CA GLU B 205 5.468 -11.522 -1.984 1.00 15.00 C ATOM 590 C GLU B 205 5.966 -11.128 -0.604 1.00 15.00 C ATOM 591 O GLU B 205 5.191 -11.093 0.356 1.00 15.00 O ATOM 592 CB GLU B 205 4.777 -10.325 -2.637 1.00 15.00 C ATOM 593 CG GLU B 205 4.763 -10.369 -4.154 1.00 15.00 C ATOM 594 CD GLU B 205 6.147 -10.208 -4.748 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.856 -9.251 -4.369 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 6.536 -11.030 -5.602 1.00 15.00 O ATOM 0 H GLU B 205 3.575 -12.364 -1.734 1.00 15.00 H new ATOM 0 HA GLU B 205 6.320 -11.828 -2.591 1.00 15.00 H new ATOM 0 HB2 GLU B 205 3.750 -10.271 -2.276 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.276 -9.411 -2.315 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.337 -11.317 -4.484 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.114 -9.579 -4.532 1.00 15.00 H new ATOM 603 N SER B 206 7.255 -10.822 -0.520 1.00 15.00 N ATOM 604 CA SER B 206 7.852 -10.307 0.703 1.00 15.00 C ATOM 605 C SER B 206 7.125 -9.033 1.126 1.00 15.00 C ATOM 606 O SER B 206 6.656 -8.288 0.272 1.00 15.00 O ATOM 607 CB SER B 206 9.330 -10.003 0.452 1.00 15.00 C ATOM 608 OG SER B 206 9.960 -11.068 -0.245 1.00 15.00 O ATOM 0 H SER B 206 7.912 -10.924 -1.294 1.00 15.00 H new ATOM 0 HA SER B 206 7.765 -11.049 1.497 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.422 -9.082 -0.124 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.837 -9.836 1.403 1.00 15.00 H new ATOM 0 HG SER B 206 10.903 -10.848 -0.395 1.00 15.00 H new ATOM 614 N PRO B 207 7.047 -8.749 2.437 1.00 15.00 N ATOM 615 CA PRO B 207 6.328 -7.576 2.954 1.00 15.00 C ATOM 616 C PRO B 207 6.706 -6.292 2.215 1.00 15.00 C ATOM 617 O PRO B 207 7.888 -6.040 1.973 1.00 15.00 O ATOM 618 CB PRO B 207 6.791 -7.508 4.407 1.00 15.00 C ATOM 619 CG PRO B 207 7.070 -8.924 4.763 1.00 15.00 C ATOM 620 CD PRO B 207 7.632 -9.556 3.521 1.00 15.00 C ATOM 0 HA PRO B 207 5.248 -7.666 2.833 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.680 -6.887 4.514 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.023 -7.079 5.051 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.779 -8.987 5.589 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.161 -9.433 5.084 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.721 -9.518 3.508 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.348 -10.605 3.440 1.00 15.00 H new ATOM 628 N PRO B 208 5.701 -5.470 1.841 1.00 15.00 N ATOM 629 CA PRO B 208 5.909 -4.259 1.034 1.00 15.00 C ATOM 630 C PRO B 208 7.009 -3.346 1.563 1.00 15.00 C ATOM 631 O PRO B 208 7.287 -3.308 2.767 1.00 15.00 O ATOM 632 CB PRO B 208 4.564 -3.548 1.118 1.00 15.00 C ATOM 633 CG PRO B 208 3.584 -4.639 1.299 1.00 15.00 C ATOM 634 CD PRO B 208 4.269 -5.650 2.171 1.00 15.00 C ATOM 0 HA PRO B 208 6.230 -4.516 0.024 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.536 -2.846 1.952 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.359 -2.976 0.213 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.670 -4.272 1.766 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.300 -5.075 0.341 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.074 -5.468 3.228 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.931 -6.663 1.954 1.00 15.00 H new ATOM 642 N PRO B 209 7.621 -2.582 0.646 1.00 15.00 N ATOM 643 CA PRO B 209 8.694 -1.634 0.965 1.00 15.00 C ATOM 644 C PRO B 209 8.305 -0.680 2.097 1.00 15.00 C ATOM 645 O PRO B 209 7.166 -0.205 2.144 1.00 15.00 O ATOM 646 CB PRO B 209 8.875 -0.868 -0.349 1.00 15.00 C ATOM 647 CG PRO B 209 8.426 -1.820 -1.399 1.00 15.00 C ATOM 648 CD PRO B 209 7.291 -2.579 -0.793 1.00 15.00 C ATOM 0 HA PRO B 209 9.598 -2.131 1.315 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.281 0.046 -0.361 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.914 -0.574 -0.497 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.109 -1.291 -2.298 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.234 -2.490 -1.692 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.334 -2.095 -0.986 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.223 -3.591 -1.193 1.00 15.00 H new ATOM 656 N PRO B 210 9.247 -0.389 3.019 1.00 15.00 N ATOM 657 CA PRO B 210 8.988 0.461 4.188 1.00 15.00 C ATOM 658 C PRO B 210 8.290 1.773 3.834 1.00 15.00 C ATOM 659 O PRO B 210 8.788 2.575 3.043 1.00 15.00 O ATOM 660 CB PRO B 210 10.384 0.740 4.746 1.00 15.00 C ATOM 661 CG PRO B 210 11.207 -0.422 4.313 1.00 15.00 C ATOM 662 CD PRO B 210 10.642 -0.873 2.991 1.00 15.00 C ATOM 0 HA PRO B 210 8.316 -0.030 4.892 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.786 1.676 4.357 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.365 0.828 5.832 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.255 -0.140 4.212 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.163 -1.225 5.049 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.196 -0.448 2.154 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.687 -1.957 2.886 1.00 15.00 H new ATOM 670 N TYR B 211 7.131 1.979 4.438 1.00 15.00 N ATOM 671 CA TYR B 211 6.328 3.157 4.174 1.00 15.00 C ATOM 672 C TYR B 211 6.600 4.228 5.221 1.00 15.00 C ATOM 673 O TYR B 211 6.303 4.043 6.401 1.00 15.00 O ATOM 674 CB TYR B 211 4.847 2.780 4.170 1.00 15.00 C ATOM 675 CG TYR B 211 3.932 3.874 3.675 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.966 4.280 2.349 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.021 4.484 4.526 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.119 5.261 1.882 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.170 5.471 4.067 1.00 15.00 C ATOM 680 CZ TYR B 211 2.224 5.853 2.744 1.00 15.00 C ATOM 681 OH TYR B 211 1.371 6.818 2.276 1.00 15.00 O ATOM 0 H TYR B 211 6.725 1.338 5.120 1.00 15.00 H new ATOM 0 HA TYR B 211 6.595 3.558 3.196 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.710 1.897 3.546 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.551 2.504 5.182 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.669 3.819 1.671 1.00 15.00 H new ATOM 0 HD2 TYR B 211 2.977 4.183 5.562 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.157 5.564 0.846 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.468 5.940 4.740 1.00 15.00 H new ATOM 0 HH TYR B 211 0.444 6.529 2.411 1.00 15.00 H new ATOM 691 N SER B 212 7.189 5.336 4.794 1.00 15.00 N ATOM 692 CA SER B 212 7.482 6.434 5.697 1.00 15.00 C ATOM 693 C SER B 212 6.509 7.593 5.476 1.00 15.00 C ATOM 694 O SER B 212 5.581 7.793 6.258 1.00 15.00 O ATOM 695 CB SER B 212 8.923 6.901 5.490 1.00 15.00 C ATOM 696 OG SER B 212 9.823 5.808 5.550 1.00 15.00 O ATOM 0 H SER B 212 7.472 5.496 3.827 1.00 15.00 H new ATOM 0 HA SER B 212 7.363 6.085 6.723 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.013 7.399 4.524 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.185 7.635 6.252 1.00 15.00 H new ATOM 0 HG SER B 212 10.738 6.130 5.413 1.00 15.00 H new ATOM 702 N ARG B 213 6.709 8.332 4.390 1.00 15.00 N ATOM 703 CA ARG B 213 5.847 9.467 4.069 1.00 15.00 C ATOM 704 C ARG B 213 5.167 9.267 2.716 1.00 15.00 C ATOM 705 O ARG B 213 3.952 9.429 2.592 1.00 15.00 O ATOM 706 CB ARG B 213 6.656 10.769 4.076 1.00 15.00 C ATOM 707 CG ARG B 213 7.339 11.051 5.408 1.00 15.00 C ATOM 708 CD ARG B 213 8.200 12.305 5.353 1.00 15.00 C ATOM 709 NE ARG B 213 7.404 13.518 5.161 1.00 15.00 N ATOM 710 CZ ARG B 213 7.922 14.713 4.868 1.00 15.00 C ATOM 711 NH1 ARG B 213 9.234 14.857 4.728 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 7.125 15.763 4.721 1.00 15.00 N ATOM 0 H ARG B 213 7.458 8.167 3.718 1.00 15.00 H new ATOM 0 HA ARG B 213 5.071 9.534 4.832 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.411 10.723 3.292 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.994 11.600 3.832 1.00 15.00 H new ATOM 0 HG2 ARG B 213 6.584 11.164 6.186 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.958 10.198 5.686 1.00 15.00 H new ATOM 0 HD2 ARG B 213 8.772 12.391 6.277 1.00 15.00 H new ATOM 0 HD3 ARG B 213 8.920 12.213 4.540 1.00 15.00 H new ATOM 0 HE ARG B 213 6.391 13.446 5.257 1.00 15.00 H new ATOM 0 HH11 ARG B 213 9.851 14.053 4.844 1.00 15.00 H new ATOM 0 HH12 ARG B 213 9.626 15.772 4.504 1.00 15.00 H new ATOM 0 HH21 ARG B 213 6.117 15.657 4.832 1.00 15.00 H new ATOM 0 HH22 ARG B 213 7.521 16.676 4.497 1.00 15.00 H new ATOM 726 N TYR B 214 5.958 8.938 1.701 1.00 15.00 N ATOM 727 CA TYR B 214 5.437 8.650 0.373 1.00 15.00 C ATOM 728 C TYR B 214 5.742 7.204 -0.005 1.00 15.00 C ATOM 729 O TYR B 214 6.785 6.666 0.370 1.00 15.00 O ATOM 730 CB TYR B 214 6.052 9.599 -0.659 1.00 15.00 C ATOM 731 CG TYR B 214 5.688 11.049 -0.450 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.415 11.517 -0.749 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.619 11.952 0.048 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.079 12.842 -0.559 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.290 13.279 0.242 1.00 15.00 C ATOM 736 CZ TYR B 214 5.020 13.719 -0.064 1.00 15.00 C ATOM 737 OH TYR B 214 4.689 15.040 0.130 1.00 15.00 O ATOM 0 H TYR B 214 6.973 8.864 1.776 1.00 15.00 H new ATOM 0 HA TYR B 214 4.357 8.797 0.384 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.137 9.499 -0.629 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.731 9.294 -1.655 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.675 10.832 -1.137 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.615 11.611 0.287 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.085 13.190 -0.797 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.024 13.969 0.632 1.00 15.00 H new ATOM 0 HH TYR B 214 5.464 15.523 0.485 1.00 15.00 H new ATOM 747 N PRO B 215 4.843 6.563 -0.767 1.00 15.00 N ATOM 748 CA PRO B 215 5.021 5.174 -1.195 1.00 15.00 C ATOM 749 C PRO B 215 6.144 5.018 -2.224 1.00 15.00 C ATOM 750 O PRO B 215 6.160 5.690 -3.257 1.00 15.00 O ATOM 751 CB PRO B 215 3.669 4.814 -1.816 1.00 15.00 C ATOM 752 CG PRO B 215 3.083 6.117 -2.243 1.00 15.00 C ATOM 753 CD PRO B 215 3.578 7.142 -1.262 1.00 15.00 C ATOM 0 HA PRO B 215 5.308 4.528 -0.365 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.791 4.139 -2.663 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.026 4.309 -1.096 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.392 6.369 -3.258 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.994 6.072 -2.243 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.739 8.109 -1.739 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.865 7.300 -0.453 1.00 15.00 H new ATOM 761 N MET B 216 7.084 4.132 -1.930 1.00 15.00 N ATOM 762 CA MET B 216 8.202 3.878 -2.827 1.00 15.00 C ATOM 763 C MET B 216 8.434 2.375 -2.972 1.00 15.00 C ATOM 764 O MET B 216 8.577 1.667 -1.979 1.00 15.00 O ATOM 765 CB MET B 216 9.474 4.568 -2.311 1.00 15.00 C ATOM 766 CG MET B 216 9.878 4.156 -0.902 1.00 15.00 C ATOM 767 SD MET B 216 11.391 4.966 -0.341 1.00 15.00 S ATOM 768 CE MET B 216 10.902 6.686 -0.411 1.00 15.00 C ATOM 0 H MET B 216 7.095 3.576 -1.075 1.00 15.00 H new ATOM 0 HA MET B 216 7.960 4.290 -3.807 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.296 4.347 -2.992 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.323 5.647 -2.333 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.068 4.393 -0.213 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.017 3.075 -0.870 1.00 15.00 H new ATOM 0 HE1 MET B 216 11.565 7.279 0.220 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.967 7.041 -1.440 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.876 6.787 -0.056 1.00 15.00 H new ATOM 778 N ASP B 217 8.458 1.894 -4.208 1.00 15.00 N ATOM 779 CA ASP B 217 8.695 0.481 -4.485 1.00 15.00 C ATOM 780 C ASP B 217 9.929 0.316 -5.359 1.00 15.00 C ATOM 781 O ASP B 217 10.893 -0.343 -4.918 1.00 15.00 O ATOM 782 CB ASP B 217 7.476 -0.152 -5.165 1.00 15.00 C ATOM 783 CG ASP B 217 7.771 -1.525 -5.748 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.820 -2.517 -4.987 1.00 15.00 O1- ATOM 785 OD2 ASP B 217 7.946 -1.618 -6.979 1.00 15.00 O ATOM 786 OXT ASP B 217 9.941 0.881 -6.476 1.00 15.00 O ATOM 0 H ASP B 217 8.315 2.465 -5.041 1.00 15.00 H new ATOM 0 HA ASP B 217 8.863 -0.030 -3.537 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.665 -0.237 -4.441 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.126 0.507 -5.960 1.00 15.00 H new TER 791 ASP B 217