USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 457 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 396 ASN :FLIP amide:sc= -0.134 F(o=-1.7,f=-1.1) USER MOD Set 1.2: A 398 TYR OH : rot 180:sc= -0.137 USER MOD Set 1.3: A 417 HIS : no HD1:sc= -0.875 K(o=-1.1,f=-1.7) USER MOD Single : A 388 LYS NZ :NH3+ 172:sc= -0.0022 (180deg=-0.089) USER MOD Single : A 390 TYR OH : rot -121:sc= -0.49 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN :FLIP amide:sc= -0.537 F(o=-2.6!,f=-0.54) USER MOD Single : A 400 GLN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 401 ASN : amide:sc= 0 X(o=0,f=-0.00064) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 156:sc= -0.0533 (180deg=-0.434) USER MOD Single : A 408 GLN :FLIP amide:sc= -0.288 F(o=-2.5!,f=-0.29) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 33:sc= 1.25 USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 166:sc= -0.0473 (180deg=-0.378) USER MOD Single : A 426 GLN :FLIP amide:sc= -0.0571 F(o=-1.4!,f=-0.057) USER MOD Single : A 427 THR OG1 : rot 123:sc= 1.27 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -160:sc= -0.0196 (180deg=-0.177) USER MOD Single : A 434 ASN : amide:sc= -0.0497 X(o=-0.05,f=0.046) USER MOD Single : A 437 SER OG : rot 150:sc= -4.33! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.130 -0.779 -1.854 1.00 0.00 N ATOM 21 CA ARG A 387 15.277 0.220 -2.472 1.00 0.00 C ATOM 22 C ARG A 387 14.406 0.947 -1.476 1.00 0.00 C ATOM 23 O ARG A 387 14.230 0.518 -0.334 1.00 0.00 O ATOM 24 CB ARG A 387 14.404 -0.421 -3.538 1.00 0.00 C ATOM 25 CG ARG A 387 15.167 -0.769 -4.792 1.00 0.00 C ATOM 26 CD ARG A 387 14.883 0.206 -5.918 1.00 0.00 C ATOM 27 NE ARG A 387 15.189 -0.373 -7.219 1.00 0.00 N ATOM 28 CZ ARG A 387 15.114 0.289 -8.370 1.00 0.00 C ATOM 29 NH1 ARG A 387 14.750 1.568 -8.388 1.00 0.00 N ATOM 30 NH2 ARG A 387 15.396 -0.333 -9.504 1.00 0.00 N ATOM 0 HA ARG A 387 15.940 0.959 -2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.950 -1.325 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.590 0.259 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.236 -0.773 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.902 -1.777 -5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 387 13.834 0.501 -5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.473 1.111 -5.774 1.00 0.00 H new ATOM 0 HE ARG A 387 15.480 -1.350 -7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 387 14.526 2.047 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 387 14.694 2.070 -9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 387 15.669 -1.316 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 387 15.340 0.170 -10.389 1.00 0.00 H new ATOM 44 N LYS A 388 13.875 2.058 -1.940 1.00 0.00 N ATOM 45 CA LYS A 388 12.973 2.878 -1.161 1.00 0.00 C ATOM 46 C LYS A 388 11.644 3.018 -1.890 1.00 0.00 C ATOM 47 O LYS A 388 11.475 3.908 -2.725 1.00 0.00 O ATOM 48 CB LYS A 388 13.566 4.270 -0.924 1.00 0.00 C ATOM 49 CG LYS A 388 14.927 4.287 -0.234 1.00 0.00 C ATOM 50 CD LYS A 388 16.057 4.004 -1.213 1.00 0.00 C ATOM 51 CE LYS A 388 17.419 4.093 -0.544 1.00 0.00 C ATOM 52 NZ LYS A 388 17.586 3.070 0.517 1.00 0.00 N ATOM 0 H LYS A 388 14.059 2.420 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 388 12.819 2.393 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.657 4.777 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.865 4.849 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.086 5.258 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.941 3.543 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.927 3.010 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.010 4.715 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 388 18.200 3.968 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.547 5.086 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.570 3.076 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.948 3.285 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.357 2.131 0.133 1.00 0.00 H new ATOM 66 N CYS A 389 10.720 2.122 -1.596 1.00 0.00 N ATOM 67 CA CYS A 389 9.389 2.173 -2.180 1.00 0.00 C ATOM 68 C CYS A 389 8.673 3.463 -1.797 1.00 0.00 C ATOM 69 O CYS A 389 8.628 3.839 -0.622 1.00 0.00 O ATOM 70 CB CYS A 389 8.563 0.981 -1.706 1.00 0.00 C ATOM 71 SG CYS A 389 9.414 -0.622 -1.858 1.00 0.00 S ATOM 0 H CYS A 389 10.867 1.345 -0.952 1.00 0.00 H new ATOM 0 HA CYS A 389 9.497 2.139 -3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.287 1.136 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.636 0.944 -2.279 1.00 0.00 H new ATOM 76 N TYR A 390 8.125 4.135 -2.794 1.00 0.00 N ATOM 77 CA TYR A 390 7.345 5.337 -2.575 1.00 0.00 C ATOM 78 C TYR A 390 5.866 4.980 -2.582 1.00 0.00 C ATOM 79 O TYR A 390 5.385 4.320 -3.505 1.00 0.00 O ATOM 80 CB TYR A 390 7.657 6.365 -3.666 1.00 0.00 C ATOM 81 CG TYR A 390 6.853 7.643 -3.565 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.194 8.630 -2.651 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.753 7.860 -4.388 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.463 9.799 -2.560 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.019 9.026 -4.304 1.00 0.00 C ATOM 86 CZ TYR A 390 5.376 9.992 -3.389 1.00 0.00 C ATOM 87 OH TYR A 390 4.648 11.156 -3.303 1.00 0.00 O ATOM 0 H TYR A 390 8.208 3.863 -3.774 1.00 0.00 H new ATOM 0 HA TYR A 390 7.601 5.773 -1.610 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.718 6.612 -3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.475 5.911 -4.640 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.044 8.482 -2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.468 7.104 -5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.741 10.558 -1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.169 9.180 -4.952 1.00 0.00 H new ATOM 0 HH TYR A 390 3.715 10.944 -3.089 1.00 0.00 H new ATOM 97 N PHE A 391 5.151 5.385 -1.548 1.00 0.00 N ATOM 98 CA PHE A 391 3.741 5.061 -1.444 1.00 0.00 C ATOM 99 C PHE A 391 2.906 6.055 -2.244 1.00 0.00 C ATOM 100 O PHE A 391 2.943 7.264 -1.985 1.00 0.00 O ATOM 101 CB PHE A 391 3.300 5.046 0.018 1.00 0.00 C ATOM 102 CG PHE A 391 2.053 4.249 0.245 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.128 2.890 0.500 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.809 4.848 0.192 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.986 2.146 0.697 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.337 4.109 0.388 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.250 2.756 0.639 1.00 0.00 C ATOM 0 H PHE A 391 5.521 5.935 -0.773 1.00 0.00 H new ATOM 0 HA PHE A 391 3.585 4.065 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.103 4.636 0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.136 6.070 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 391 3.093 2.408 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.734 5.907 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 391 1.058 1.087 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.303 4.589 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.148 2.175 0.790 1.00 0.00 H new ATOM 117 N PRO A 392 2.151 5.554 -3.231 1.00 0.00 N ATOM 118 CA PRO A 392 1.369 6.383 -4.138 1.00 0.00 C ATOM 119 C PRO A 392 -0.034 6.681 -3.614 1.00 0.00 C ATOM 120 O PRO A 392 -0.368 6.376 -2.468 1.00 0.00 O ATOM 121 CB PRO A 392 1.300 5.507 -5.386 1.00 0.00 C ATOM 122 CG PRO A 392 1.262 4.109 -4.863 1.00 0.00 C ATOM 123 CD PRO A 392 1.990 4.119 -3.540 1.00 0.00 C ATOM 0 HA PRO A 392 1.812 7.367 -4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.414 5.732 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.165 5.666 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.233 3.772 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.739 3.422 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.419 3.606 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.954 3.616 -3.611 1.00 0.00 H new ATOM 131 N TYR A 393 -0.845 7.290 -4.468 1.00 0.00 N ATOM 132 CA TYR A 393 -2.208 7.663 -4.117 1.00 0.00 C ATOM 133 C TYR A 393 -3.182 6.560 -4.506 1.00 0.00 C ATOM 134 O TYR A 393 -3.166 6.077 -5.638 1.00 0.00 O ATOM 135 CB TYR A 393 -2.588 8.973 -4.821 1.00 0.00 C ATOM 136 CG TYR A 393 -4.046 9.351 -4.683 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.515 9.986 -3.544 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.956 9.066 -5.696 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.846 10.324 -3.415 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.289 9.405 -5.573 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.728 10.032 -4.428 1.00 0.00 C ATOM 142 OH TYR A 393 -8.055 10.372 -4.296 1.00 0.00 O ATOM 0 H TYR A 393 -0.578 7.539 -5.420 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.263 7.807 -3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.975 9.780 -4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.345 8.887 -5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.827 10.220 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.614 8.572 -6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.195 10.817 -2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.983 9.180 -6.370 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.544 10.098 -5.099 1.00 0.00 H new ATOM 152 N LEU A 394 -4.026 6.166 -3.564 1.00 0.00 N ATOM 153 CA LEU A 394 -5.043 5.162 -3.827 1.00 0.00 C ATOM 154 C LEU A 394 -6.310 5.838 -4.313 1.00 0.00 C ATOM 155 O LEU A 394 -6.837 6.728 -3.642 1.00 0.00 O ATOM 156 CB LEU A 394 -5.368 4.341 -2.570 1.00 0.00 C ATOM 157 CG LEU A 394 -4.222 3.510 -1.980 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.539 2.684 -3.059 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.220 4.395 -1.258 1.00 0.00 C ATOM 0 H LEU A 394 -4.026 6.527 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.653 4.486 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.726 5.024 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.192 3.667 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.649 2.823 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.730 2.104 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.264 2.008 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.133 3.347 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.419 3.779 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.802 5.117 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.720 4.924 -0.447 1.00 0.00 H new ATOM 171 N GLU A 395 -6.788 5.434 -5.480 1.00 0.00 N ATOM 172 CA GLU A 395 -8.037 5.960 -5.996 1.00 0.00 C ATOM 173 C GLU A 395 -9.166 5.556 -5.059 1.00 0.00 C ATOM 174 O GLU A 395 -9.258 4.390 -4.675 1.00 0.00 O ATOM 175 CB GLU A 395 -8.301 5.444 -7.412 1.00 0.00 C ATOM 176 CG GLU A 395 -9.445 6.158 -8.110 1.00 0.00 C ATOM 177 CD GLU A 395 -9.166 7.634 -8.328 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.309 8.424 -7.371 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.798 8.017 -9.460 1.00 0.00 O ATOM 0 H GLU A 395 -6.332 4.748 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.977 7.047 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.395 5.557 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.522 4.377 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.633 5.682 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.353 6.047 -7.517 1.00 0.00 H new ATOM 186 N ASN A 396 -9.988 6.536 -4.683 1.00 0.00 N ATOM 187 CA ASN A 396 -11.050 6.378 -3.677 1.00 0.00 C ATOM 188 C ASN A 396 -10.523 5.733 -2.389 1.00 0.00 C ATOM 189 O ASN A 396 -11.269 5.121 -1.628 1.00 0.00 O ATOM 190 CB ASN A 396 -12.288 5.626 -4.227 1.00 0.00 C ATOM 191 CG ASN A 396 -12.138 4.113 -4.361 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.794 3.655 -5.554 1.00 0.00 O flip ATOM 193 ND2 ASN A 396 -12.382 3.360 -3.415 1.00 0.00 N flip ATOM 0 H ASN A 396 -9.938 7.478 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.386 7.384 -3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -13.135 5.832 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.534 6.036 -5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -12.644 3.748 -2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -12.321 2.349 -3.539 1.00 0.00 H new ATOM 200 N GLY A 397 -9.235 5.904 -2.133 1.00 0.00 N ATOM 201 CA GLY A 397 -8.651 5.387 -0.916 1.00 0.00 C ATOM 202 C GLY A 397 -8.151 6.503 -0.027 1.00 0.00 C ATOM 203 O GLY A 397 -8.099 7.663 -0.444 1.00 0.00 O ATOM 0 H GLY A 397 -8.584 6.392 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.392 4.795 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.826 4.718 -1.162 1.00 0.00 H new ATOM 207 N TYR A 398 -7.787 6.167 1.198 1.00 0.00 N ATOM 208 CA TYR A 398 -7.367 7.162 2.162 1.00 0.00 C ATOM 209 C TYR A 398 -5.864 7.376 2.078 1.00 0.00 C ATOM 210 O TYR A 398 -5.071 6.574 2.571 1.00 0.00 O ATOM 211 CB TYR A 398 -7.788 6.740 3.568 1.00 0.00 C ATOM 212 CG TYR A 398 -9.281 6.528 3.685 1.00 0.00 C ATOM 213 CD1 TYR A 398 -10.154 7.608 3.741 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.819 5.249 3.711 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.520 7.417 3.828 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.183 5.052 3.792 1.00 0.00 C ATOM 217 CZ TYR A 398 -12.028 6.137 3.850 1.00 0.00 C ATOM 218 OH TYR A 398 -13.386 5.942 3.929 1.00 0.00 O ATOM 0 H TYR A 398 -7.775 5.209 1.547 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.854 8.110 1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.271 5.819 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.475 7.502 4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.759 8.613 3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.160 4.394 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -12.185 8.266 3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.586 4.050 3.810 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.579 4.981 3.933 1.00 0.00 H new ATOM 228 N ASN A 399 -5.489 8.473 1.445 1.00 0.00 N ATOM 229 CA ASN A 399 -4.092 8.795 1.183 1.00 0.00 C ATOM 230 C ASN A 399 -3.398 9.355 2.421 1.00 0.00 C ATOM 231 O ASN A 399 -2.908 10.483 2.421 1.00 0.00 O ATOM 232 CB ASN A 399 -3.998 9.787 0.017 1.00 0.00 C ATOM 233 CG ASN A 399 -5.009 10.917 0.127 1.00 0.00 C ATOM 234 OD1 ASN A 399 -6.213 10.682 -0.376 1.00 0.00 O flip ATOM 235 ND2 ASN A 399 -4.718 11.980 0.673 1.00 0.00 N flip ATOM 0 H ASN A 399 -6.146 9.171 1.095 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.577 7.873 0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.993 10.206 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -4.154 9.255 -0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -3.780 12.121 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.415 12.721 0.752 1.00 0.00 H new ATOM 242 N GLN A 400 -3.357 8.553 3.475 1.00 0.00 N ATOM 243 CA GLN A 400 -2.667 8.925 4.696 1.00 0.00 C ATOM 244 C GLN A 400 -1.203 8.507 4.620 1.00 0.00 C ATOM 245 O GLN A 400 -0.329 9.143 5.205 1.00 0.00 O ATOM 246 CB GLN A 400 -3.340 8.265 5.900 1.00 0.00 C ATOM 247 CG GLN A 400 -4.771 8.733 6.133 1.00 0.00 C ATOM 248 CD GLN A 400 -5.375 8.222 7.435 1.00 0.00 C ATOM 249 OE1 GLN A 400 -6.212 8.891 8.043 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.975 7.034 7.869 1.00 0.00 N ATOM 0 H GLN A 400 -3.798 7.634 3.506 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.717 10.008 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.339 7.184 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.750 8.470 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.792 9.823 6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.392 8.404 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -4.280 6.506 7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.362 6.649 8.730 1.00 0.00 H new ATOM 259 N ASN A 401 -0.945 7.434 3.883 1.00 0.00 N ATOM 260 CA ASN A 401 0.408 6.914 3.743 1.00 0.00 C ATOM 261 C ASN A 401 1.035 7.422 2.451 1.00 0.00 C ATOM 262 O ASN A 401 2.216 7.202 2.186 1.00 0.00 O ATOM 263 CB ASN A 401 0.394 5.381 3.746 1.00 0.00 C ATOM 264 CG ASN A 401 -0.485 4.801 4.832 1.00 0.00 C ATOM 265 OD1 ASN A 401 -1.680 4.584 4.625 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.085 4.553 5.994 1.00 0.00 N ATOM 0 H ASN A 401 -1.655 6.908 3.374 1.00 0.00 H new ATOM 0 HA ASN A 401 1.001 7.263 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.047 5.024 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 401 1.412 5.014 3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.467 4.168 6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 401 1.078 4.746 6.127 1.00 0.00 H new ATOM 273 N TYR A 402 0.225 8.105 1.647 1.00 0.00 N ATOM 274 CA TYR A 402 0.677 8.648 0.372 1.00 0.00 C ATOM 275 C TYR A 402 1.786 9.673 0.575 1.00 0.00 C ATOM 276 O TYR A 402 1.652 10.594 1.380 1.00 0.00 O ATOM 277 CB TYR A 402 -0.502 9.280 -0.385 1.00 0.00 C ATOM 278 CG TYR A 402 -0.095 10.257 -1.471 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.424 9.809 -2.679 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.226 11.628 -1.282 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.799 10.698 -3.666 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.147 12.524 -2.266 1.00 0.00 C ATOM 283 CZ TYR A 402 0.660 12.054 -3.457 1.00 0.00 C ATOM 284 OH TYR A 402 1.034 12.943 -4.442 1.00 0.00 O ATOM 0 H TYR A 402 -0.754 8.296 1.859 1.00 0.00 H new ATOM 0 HA TYR A 402 1.080 7.828 -0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -1.099 8.485 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -1.143 9.796 0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.536 8.748 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.626 11.999 -0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.200 10.333 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.037 13.586 -2.103 1.00 0.00 H new ATOM 0 HH TYR A 402 0.870 13.859 -4.135 1.00 0.00 H new ATOM 294 N GLY A 403 2.880 9.496 -0.155 1.00 0.00 N ATOM 295 CA GLY A 403 3.973 10.445 -0.103 1.00 0.00 C ATOM 296 C GLY A 403 5.059 10.018 0.855 1.00 0.00 C ATOM 297 O GLY A 403 5.936 10.806 1.208 1.00 0.00 O ATOM 0 H GLY A 403 3.029 8.708 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.397 10.562 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.590 11.420 0.197 1.00 0.00 H new ATOM 301 N ARG A 404 5.008 8.764 1.273 1.00 0.00 N ATOM 302 CA ARG A 404 5.979 8.245 2.218 1.00 0.00 C ATOM 303 C ARG A 404 6.941 7.273 1.552 1.00 0.00 C ATOM 304 O ARG A 404 6.590 6.588 0.587 1.00 0.00 O ATOM 305 CB ARG A 404 5.268 7.567 3.385 1.00 0.00 C ATOM 306 CG ARG A 404 4.424 8.522 4.207 1.00 0.00 C ATOM 307 CD ARG A 404 3.765 7.817 5.381 1.00 0.00 C ATOM 308 NE ARG A 404 2.918 8.722 6.155 1.00 0.00 N ATOM 309 CZ ARG A 404 2.973 8.838 7.480 1.00 0.00 C ATOM 310 NH1 ARG A 404 3.869 8.150 8.175 1.00 0.00 N ATOM 311 NH2 ARG A 404 2.144 9.657 8.104 1.00 0.00 N ATOM 0 H ARG A 404 4.305 8.089 0.973 1.00 0.00 H new ATOM 0 HA ARG A 404 6.562 9.086 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.632 6.769 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.010 7.099 4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.048 9.336 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.658 8.969 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.166 6.984 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.533 7.396 6.029 1.00 0.00 H new ATOM 0 HE ARG A 404 2.245 9.299 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 404 4.520 7.529 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.907 8.242 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.464 10.198 7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.184 9.747 9.119 1.00 0.00 H new ATOM 325 N LYS A 405 8.159 7.235 2.071 1.00 0.00 N ATOM 326 CA LYS A 405 9.195 6.353 1.578 1.00 0.00 C ATOM 327 C LYS A 405 9.519 5.290 2.608 1.00 0.00 C ATOM 328 O LYS A 405 9.732 5.593 3.784 1.00 0.00 O ATOM 329 CB LYS A 405 10.450 7.154 1.268 1.00 0.00 C ATOM 330 CG LYS A 405 10.312 8.041 0.050 1.00 0.00 C ATOM 331 CD LYS A 405 11.371 9.130 0.040 1.00 0.00 C ATOM 332 CE LYS A 405 11.170 10.100 -1.112 1.00 0.00 C ATOM 333 NZ LYS A 405 9.830 10.741 -1.072 1.00 0.00 N ATOM 0 H LYS A 405 8.454 7.821 2.852 1.00 0.00 H new ATOM 0 HA LYS A 405 8.835 5.870 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.701 7.771 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.282 6.467 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.398 7.438 -0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.321 8.494 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.341 9.675 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 405 12.359 8.676 -0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.941 10.869 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.291 9.571 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 9.863 11.647 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 9.132 10.115 -1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 9.555 10.910 -0.083 1.00 0.00 H new ATOM 347 N PHE A 406 9.558 4.054 2.166 1.00 0.00 N ATOM 348 CA PHE A 406 9.914 2.942 3.038 1.00 0.00 C ATOM 349 C PHE A 406 11.008 2.104 2.398 1.00 0.00 C ATOM 350 O PHE A 406 10.988 1.862 1.192 1.00 0.00 O ATOM 351 CB PHE A 406 8.693 2.065 3.345 1.00 0.00 C ATOM 352 CG PHE A 406 7.624 2.762 4.144 1.00 0.00 C ATOM 353 CD1 PHE A 406 7.648 2.730 5.528 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.595 3.445 3.513 1.00 0.00 C ATOM 355 CE1 PHE A 406 6.670 3.365 6.270 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.615 4.083 4.249 1.00 0.00 C ATOM 357 CZ PHE A 406 5.652 4.043 5.628 1.00 0.00 C ATOM 0 H PHE A 406 9.348 3.786 1.205 1.00 0.00 H new ATOM 0 HA PHE A 406 10.281 3.355 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.262 1.718 2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.022 1.181 3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.442 2.202 6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.559 3.479 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 406 6.702 3.331 7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.820 4.613 3.745 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.886 4.541 6.204 1.00 0.00 H new ATOM 367 N VAL A 407 11.967 1.681 3.204 1.00 0.00 N ATOM 368 CA VAL A 407 13.051 0.840 2.722 1.00 0.00 C ATOM 369 C VAL A 407 12.568 -0.592 2.527 1.00 0.00 C ATOM 370 O VAL A 407 11.620 -1.034 3.179 1.00 0.00 O ATOM 371 CB VAL A 407 14.259 0.859 3.686 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.854 2.254 3.762 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.865 0.379 5.076 1.00 0.00 C ATOM 0 H VAL A 407 12.018 1.906 4.197 1.00 0.00 H new ATOM 0 HA VAL A 407 13.376 1.245 1.764 1.00 0.00 H new ATOM 0 HB VAL A 407 15.010 0.174 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.704 2.250 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.186 2.562 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.100 2.952 4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.736 0.404 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.089 1.030 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.487 -0.641 5.015 1.00 0.00 H new ATOM 383 N GLN A 408 13.210 -1.299 1.610 1.00 0.00 N ATOM 384 CA GLN A 408 12.826 -2.666 1.290 1.00 0.00 C ATOM 385 C GLN A 408 12.948 -3.573 2.507 1.00 0.00 C ATOM 386 O GLN A 408 13.996 -3.638 3.153 1.00 0.00 O ATOM 387 CB GLN A 408 13.664 -3.189 0.127 1.00 0.00 C ATOM 388 CG GLN A 408 13.314 -4.610 -0.291 1.00 0.00 C ATOM 389 CD GLN A 408 14.123 -5.111 -1.474 1.00 0.00 C ATOM 390 OE1 GLN A 408 14.438 -4.229 -2.413 1.00 0.00 O flip ATOM 391 NE2 GLN A 408 14.436 -6.297 -1.561 1.00 0.00 N flip ATOM 0 H GLN A 408 14.002 -0.948 1.072 1.00 0.00 H new ATOM 0 HA GLN A 408 11.778 -2.667 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.535 -2.526 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.717 -3.151 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.471 -5.278 0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.254 -4.656 -0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.177 -6.948 -0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.954 -6.629 -2.374 1.00 0.00 H new ATOM 400 N GLY A 409 11.862 -4.271 2.802 1.00 0.00 N ATOM 401 CA GLY A 409 11.786 -5.074 4.002 1.00 0.00 C ATOM 402 C GLY A 409 10.737 -4.538 4.955 1.00 0.00 C ATOM 403 O GLY A 409 10.279 -5.241 5.858 1.00 0.00 O ATOM 0 H GLY A 409 11.023 -4.294 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.549 -6.105 3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.757 -5.087 4.496 1.00 0.00 H new ATOM 407 N LYS A 410 10.353 -3.282 4.743 1.00 0.00 N ATOM 408 CA LYS A 410 9.368 -2.622 5.575 1.00 0.00 C ATOM 409 C LYS A 410 7.964 -2.901 5.074 1.00 0.00 C ATOM 410 O LYS A 410 7.734 -3.013 3.871 1.00 0.00 O ATOM 411 CB LYS A 410 9.617 -1.119 5.564 1.00 0.00 C ATOM 412 CG LYS A 410 10.845 -0.680 6.340 1.00 0.00 C ATOM 413 CD LYS A 410 10.679 -0.896 7.836 1.00 0.00 C ATOM 414 CE LYS A 410 11.871 -0.348 8.599 1.00 0.00 C ATOM 415 NZ LYS A 410 11.683 -0.429 10.069 1.00 0.00 N ATOM 0 H LYS A 410 10.719 -2.700 3.990 1.00 0.00 H new ATOM 0 HA LYS A 410 9.460 -3.008 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.718 -0.788 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.743 -0.615 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.714 -1.235 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.040 0.375 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.767 -0.407 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.568 -1.960 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.766 -0.903 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.037 0.691 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.522 -0.044 10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 10.844 0.122 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 11.551 -1.422 10.348 1.00 0.00 H new ATOM 429 N SER A 411 7.032 -3.004 5.995 1.00 0.00 N ATOM 430 CA SER A 411 5.643 -3.208 5.648 1.00 0.00 C ATOM 431 C SER A 411 4.797 -2.075 6.204 1.00 0.00 C ATOM 432 O SER A 411 5.201 -1.382 7.141 1.00 0.00 O ATOM 433 CB SER A 411 5.153 -4.557 6.171 1.00 0.00 C ATOM 434 OG SER A 411 3.816 -4.819 5.773 1.00 0.00 O ATOM 0 H SER A 411 7.213 -2.949 6.997 1.00 0.00 H new ATOM 0 HA SER A 411 5.548 -3.212 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.805 -5.349 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.219 -4.571 7.259 1.00 0.00 H new ATOM 0 HG SER A 411 3.651 -4.415 4.895 1.00 0.00 H new ATOM 440 N ILE A 412 3.629 -1.896 5.617 1.00 0.00 N ATOM 441 CA ILE A 412 2.732 -0.810 5.987 1.00 0.00 C ATOM 442 C ILE A 412 1.296 -1.177 5.637 1.00 0.00 C ATOM 443 O ILE A 412 1.045 -1.892 4.663 1.00 0.00 O ATOM 444 CB ILE A 412 3.138 0.516 5.288 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.283 1.689 5.779 1.00 0.00 C ATOM 446 CG2 ILE A 412 3.036 0.389 3.774 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.459 1.994 7.250 1.00 0.00 C ATOM 0 H ILE A 412 3.273 -2.495 4.872 1.00 0.00 H new ATOM 0 HA ILE A 412 2.808 -0.657 7.064 1.00 0.00 H new ATOM 0 HB ILE A 412 4.177 0.717 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.534 2.578 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.233 1.468 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.326 1.331 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.700 -0.404 3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.009 0.149 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.823 2.835 7.526 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.180 1.120 7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.501 2.247 7.447 1.00 0.00 H new ATOM 459 N ASP A 413 0.368 -0.708 6.456 1.00 0.00 N ATOM 460 CA ASP A 413 -1.046 -0.999 6.278 1.00 0.00 C ATOM 461 C ASP A 413 -1.721 0.115 5.496 1.00 0.00 C ATOM 462 O ASP A 413 -1.531 1.298 5.784 1.00 0.00 O ATOM 463 CB ASP A 413 -1.711 -1.167 7.640 1.00 0.00 C ATOM 464 CG ASP A 413 -3.195 -1.475 7.551 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.557 -2.657 7.376 1.00 0.00 O ATOM 466 OD2 ASP A 413 -4.012 -0.536 7.685 1.00 0.00 O ATOM 0 H ASP A 413 0.573 -0.116 7.261 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.149 -1.926 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.213 -1.970 8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.571 -0.255 8.220 1.00 0.00 H new ATOM 471 N VAL A 414 -2.516 -0.276 4.522 1.00 0.00 N ATOM 472 CA VAL A 414 -3.140 0.662 3.599 1.00 0.00 C ATOM 473 C VAL A 414 -4.600 0.893 3.968 1.00 0.00 C ATOM 474 O VAL A 414 -5.325 -0.048 4.296 1.00 0.00 O ATOM 475 CB VAL A 414 -3.064 0.141 2.146 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.597 1.176 1.165 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.639 -0.253 1.790 1.00 0.00 C ATOM 0 H VAL A 414 -2.751 -1.252 4.344 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.595 1.603 3.672 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.693 -0.746 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.532 0.783 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.637 1.399 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.004 2.088 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.608 -0.617 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.986 0.615 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.300 -1.040 2.464 1.00 0.00 H new ATOM 487 N ALA A 415 -5.025 2.144 3.915 1.00 0.00 N ATOM 488 CA ALA A 415 -6.401 2.492 4.226 1.00 0.00 C ATOM 489 C ALA A 415 -7.181 2.822 2.958 1.00 0.00 C ATOM 490 O ALA A 415 -6.914 3.823 2.296 1.00 0.00 O ATOM 491 CB ALA A 415 -6.441 3.665 5.191 1.00 0.00 C ATOM 0 H ALA A 415 -4.436 2.937 3.659 1.00 0.00 H new ATOM 0 HA ALA A 415 -6.872 1.630 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.478 3.916 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -5.925 3.396 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -5.950 4.526 4.738 1.00 0.00 H new ATOM 497 N CYS A 416 -8.139 1.971 2.622 1.00 0.00 N ATOM 498 CA CYS A 416 -8.993 2.195 1.465 1.00 0.00 C ATOM 499 C CYS A 416 -10.459 2.170 1.884 1.00 0.00 C ATOM 500 O CYS A 416 -10.760 1.883 3.043 1.00 0.00 O ATOM 501 CB CYS A 416 -8.687 1.160 0.371 1.00 0.00 C ATOM 502 SG CYS A 416 -7.149 1.531 -0.539 1.00 0.00 S ATOM 0 H CYS A 416 -8.345 1.115 3.137 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.788 3.181 1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.607 0.172 0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.520 1.123 -0.331 1.00 0.00 H new ATOM 507 N HIS A 417 -11.363 2.515 0.966 1.00 0.00 N ATOM 508 CA HIS A 417 -12.799 2.530 1.274 1.00 0.00 C ATOM 509 C HIS A 417 -13.274 1.181 1.822 1.00 0.00 C ATOM 510 O HIS A 417 -12.640 0.147 1.606 1.00 0.00 O ATOM 511 CB HIS A 417 -13.631 2.892 0.041 1.00 0.00 C ATOM 512 CG HIS A 417 -13.824 4.362 -0.171 1.00 0.00 C ATOM 513 ND1 HIS A 417 -14.167 4.908 -1.388 1.00 0.00 N ATOM 514 CD2 HIS A 417 -13.750 5.401 0.695 1.00 0.00 C ATOM 515 CE1 HIS A 417 -14.296 6.216 -1.259 1.00 0.00 C ATOM 516 NE2 HIS A 417 -14.049 6.541 -0.005 1.00 0.00 N ATOM 0 H HIS A 417 -11.132 2.786 0.010 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.944 3.292 2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.150 2.471 -0.842 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.609 2.419 0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -13.501 5.342 1.744 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -14.560 6.904 -2.048 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -14.076 7.485 0.380 1.00 0.00 H new ATOM 525 N PRO A 418 -14.425 1.178 2.515 1.00 0.00 N ATOM 526 CA PRO A 418 -14.949 0.001 3.181 1.00 0.00 C ATOM 527 C PRO A 418 -15.555 -0.979 2.186 1.00 0.00 C ATOM 528 O PRO A 418 -16.663 -0.784 1.675 1.00 0.00 O ATOM 529 CB PRO A 418 -15.995 0.587 4.120 1.00 0.00 C ATOM 530 CG PRO A 418 -16.483 1.804 3.452 1.00 0.00 C ATOM 531 CD PRO A 418 -15.332 2.323 2.661 1.00 0.00 C ATOM 0 HA PRO A 418 -14.188 -0.580 3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -16.807 -0.119 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -15.563 0.820 5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.332 1.582 2.806 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.821 2.541 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.657 2.696 1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.843 3.152 3.173 1.00 0.00 H new ATOM 539 N GLY A 419 -14.806 -2.032 1.920 1.00 0.00 N ATOM 540 CA GLY A 419 -15.150 -2.955 0.864 1.00 0.00 C ATOM 541 C GLY A 419 -14.066 -3.002 -0.185 1.00 0.00 C ATOM 542 O GLY A 419 -14.135 -3.782 -1.127 1.00 0.00 O ATOM 0 H GLY A 419 -13.952 -2.267 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.301 -3.951 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.092 -2.655 0.406 1.00 0.00 H new ATOM 546 N TYR A 420 -13.064 -2.150 -0.019 1.00 0.00 N ATOM 547 CA TYR A 420 -11.881 -2.180 -0.860 1.00 0.00 C ATOM 548 C TYR A 420 -10.689 -2.624 -0.039 1.00 0.00 C ATOM 549 O TYR A 420 -10.475 -2.142 1.072 1.00 0.00 O ATOM 550 CB TYR A 420 -11.600 -0.810 -1.476 1.00 0.00 C ATOM 551 CG TYR A 420 -12.644 -0.369 -2.478 1.00 0.00 C ATOM 552 CD1 TYR A 420 -13.761 0.357 -2.084 1.00 0.00 C ATOM 553 CD2 TYR A 420 -12.511 -0.680 -3.826 1.00 0.00 C ATOM 554 CE1 TYR A 420 -14.713 0.759 -3.000 1.00 0.00 C ATOM 555 CE2 TYR A 420 -13.458 -0.280 -4.748 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.557 0.440 -4.331 1.00 0.00 C ATOM 557 OH TYR A 420 -15.502 0.848 -5.245 1.00 0.00 O ATOM 0 H TYR A 420 -13.050 -1.424 0.698 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.058 -2.885 -1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.538 -0.069 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.626 -0.834 -1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -13.887 0.612 -1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -11.652 -1.244 -4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -15.576 1.321 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -13.338 -0.530 -5.792 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.244 0.544 -6.140 1.00 0.00 H new ATOM 567 N ALA A 421 -9.921 -3.535 -0.589 1.00 0.00 N ATOM 568 CA ALA A 421 -8.786 -4.102 0.116 1.00 0.00 C ATOM 569 C ALA A 421 -7.752 -4.621 -0.865 1.00 0.00 C ATOM 570 O ALA A 421 -8.040 -4.816 -2.044 1.00 0.00 O ATOM 571 CB ALA A 421 -9.239 -5.219 1.044 1.00 0.00 C ATOM 0 H ALA A 421 -10.060 -3.904 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.329 -3.315 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.375 -5.633 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -9.946 -4.822 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.721 -6.004 0.461 1.00 0.00 H new ATOM 577 N LEU A 422 -6.549 -4.832 -0.370 1.00 0.00 N ATOM 578 CA LEU A 422 -5.456 -5.338 -1.183 1.00 0.00 C ATOM 579 C LEU A 422 -5.680 -6.783 -1.585 1.00 0.00 C ATOM 580 O LEU A 422 -6.416 -7.522 -0.925 1.00 0.00 O ATOM 581 CB LEU A 422 -4.145 -5.226 -0.416 1.00 0.00 C ATOM 582 CG LEU A 422 -3.657 -3.797 -0.191 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.436 -3.791 0.702 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.344 -3.128 -1.513 1.00 0.00 C ATOM 0 H LEU A 422 -6.300 -4.659 0.604 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.412 -4.735 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.264 -5.711 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.375 -5.777 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.451 -3.236 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.100 -2.765 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.687 -4.236 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.639 -4.368 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -2.998 -2.110 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.566 -3.690 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.243 -3.102 -2.129 1.00 0.00 H new ATOM 596 N PRO A 423 -5.054 -7.190 -2.695 1.00 0.00 N ATOM 597 CA PRO A 423 -5.074 -8.575 -3.154 1.00 0.00 C ATOM 598 C PRO A 423 -4.588 -9.539 -2.079 1.00 0.00 C ATOM 599 O PRO A 423 -3.799 -9.170 -1.202 1.00 0.00 O ATOM 600 CB PRO A 423 -4.114 -8.570 -4.346 1.00 0.00 C ATOM 601 CG PRO A 423 -4.135 -7.168 -4.829 1.00 0.00 C ATOM 602 CD PRO A 423 -4.284 -6.323 -3.603 1.00 0.00 C ATOM 0 HA PRO A 423 -6.080 -8.910 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.110 -8.873 -4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.440 -9.263 -5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.217 -6.924 -5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.961 -7.004 -5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.317 -6.052 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.810 -5.392 -3.816 1.00 0.00 H new ATOM 610 N LYS A 424 -5.089 -10.764 -2.159 1.00 0.00 N ATOM 611 CA LYS A 424 -4.742 -11.847 -1.236 1.00 0.00 C ATOM 612 C LYS A 424 -5.394 -11.632 0.126 1.00 0.00 C ATOM 613 O LYS A 424 -4.920 -12.152 1.140 1.00 0.00 O ATOM 614 CB LYS A 424 -3.221 -11.987 -1.084 1.00 0.00 C ATOM 615 CG LYS A 424 -2.489 -12.198 -2.398 1.00 0.00 C ATOM 616 CD LYS A 424 -0.988 -12.337 -2.190 1.00 0.00 C ATOM 617 CE LYS A 424 -0.641 -13.589 -1.397 1.00 0.00 C ATOM 618 NZ LYS A 424 -1.154 -14.819 -2.055 1.00 0.00 N ATOM 0 H LYS A 424 -5.759 -11.042 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.126 -12.774 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.830 -11.092 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.007 -12.826 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.873 -13.092 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.688 -11.359 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.488 -12.370 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.611 -11.459 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 424 0.441 -13.661 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.060 -13.512 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -0.706 -15.654 -1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.185 -14.876 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -0.931 -14.788 -3.070 1.00 0.00 H new ATOM 632 N ALA A 425 -6.491 -10.872 0.128 1.00 0.00 N ATOM 633 CA ALA A 425 -7.242 -10.565 1.345 1.00 0.00 C ATOM 634 C ALA A 425 -6.348 -9.896 2.387 1.00 0.00 C ATOM 635 O ALA A 425 -6.418 -10.200 3.580 1.00 0.00 O ATOM 636 CB ALA A 425 -7.890 -11.825 1.908 1.00 0.00 C ATOM 0 H ALA A 425 -6.883 -10.452 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.034 -9.862 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.444 -11.576 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.572 -12.245 1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.118 -12.557 2.145 1.00 0.00 H new ATOM 642 N GLN A 426 -5.517 -8.979 1.923 1.00 0.00 N ATOM 643 CA GLN A 426 -4.554 -8.303 2.775 1.00 0.00 C ATOM 644 C GLN A 426 -4.850 -6.811 2.853 1.00 0.00 C ATOM 645 O GLN A 426 -5.596 -6.271 2.036 1.00 0.00 O ATOM 646 CB GLN A 426 -3.143 -8.522 2.225 1.00 0.00 C ATOM 647 CG GLN A 426 -2.655 -9.954 2.358 1.00 0.00 C ATOM 648 CD GLN A 426 -1.340 -10.199 1.642 1.00 0.00 C ATOM 649 OE1 GLN A 426 -1.122 -9.502 0.537 1.00 0.00 O flip ATOM 650 NE2 GLN A 426 -0.532 -11.021 2.070 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.491 -8.683 0.947 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.627 -8.720 3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.123 -8.236 1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.452 -7.861 2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.538 -10.196 3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.412 -10.629 1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.736 -11.539 2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.342 -11.185 1.570 1.00 0.00 H new ATOM 659 N THR A 427 -4.282 -6.157 3.851 1.00 0.00 N ATOM 660 CA THR A 427 -4.373 -4.712 3.963 1.00 0.00 C ATOM 661 C THR A 427 -2.974 -4.120 4.046 1.00 0.00 C ATOM 662 O THR A 427 -2.794 -2.905 4.007 1.00 0.00 O ATOM 663 CB THR A 427 -5.188 -4.286 5.201 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.611 -4.849 6.385 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.640 -4.725 5.083 1.00 0.00 C ATOM 0 H THR A 427 -3.751 -6.606 4.598 1.00 0.00 H new ATOM 0 HA THR A 427 -4.888 -4.338 3.078 1.00 0.00 H new ATOM 0 HB THR A 427 -5.162 -3.198 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.386 -4.131 7.013 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.189 -4.410 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.087 -4.269 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.686 -5.810 4.994 1.00 0.00 H new ATOM 673 N THR A 428 -1.986 -4.995 4.144 1.00 0.00 N ATOM 674 CA THR A 428 -0.611 -4.594 4.283 1.00 0.00 C ATOM 675 C THR A 428 0.212 -4.958 3.050 1.00 0.00 C ATOM 676 O THR A 428 -0.023 -5.987 2.415 1.00 0.00 O ATOM 677 CB THR A 428 -0.004 -5.283 5.507 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.613 -6.573 5.684 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.187 -4.448 6.761 1.00 0.00 C ATOM 0 H THR A 428 -2.124 -6.005 4.128 1.00 0.00 H new ATOM 0 HA THR A 428 -0.589 -3.511 4.400 1.00 0.00 H new ATOM 0 HB THR A 428 1.066 -5.400 5.337 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.223 -7.014 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.256 -4.967 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.302 -3.483 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 428 -1.251 -4.294 6.944 1.00 0.00 H new ATOM 687 N VAL A 429 1.167 -4.105 2.710 1.00 0.00 N ATOM 688 CA VAL A 429 2.129 -4.412 1.659 1.00 0.00 C ATOM 689 C VAL A 429 3.533 -4.387 2.221 1.00 0.00 C ATOM 690 O VAL A 429 3.788 -3.789 3.266 1.00 0.00 O ATOM 691 CB VAL A 429 2.066 -3.424 0.472 1.00 0.00 C ATOM 692 CG1 VAL A 429 0.752 -3.549 -0.280 1.00 0.00 C ATOM 693 CG2 VAL A 429 2.252 -1.996 0.950 1.00 0.00 C ATOM 0 H VAL A 429 1.297 -3.193 3.147 1.00 0.00 H new ATOM 0 HA VAL A 429 1.869 -5.403 1.288 1.00 0.00 H new ATOM 0 HB VAL A 429 2.878 -3.678 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.738 -2.841 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.649 -4.563 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -0.076 -3.333 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 429 2.204 -1.318 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 429 1.463 -1.744 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 429 3.222 -1.899 1.437 1.00 0.00 H new ATOM 703 N THR A 430 4.433 -5.049 1.530 1.00 0.00 N ATOM 704 CA THR A 430 5.825 -5.055 1.901 1.00 0.00 C ATOM 705 C THR A 430 6.637 -4.340 0.831 1.00 0.00 C ATOM 706 O THR A 430 6.437 -4.568 -0.357 1.00 0.00 O ATOM 707 CB THR A 430 6.328 -6.500 2.065 1.00 0.00 C ATOM 708 OG1 THR A 430 5.539 -7.183 3.048 1.00 0.00 O ATOM 709 CG2 THR A 430 7.794 -6.537 2.469 1.00 0.00 C ATOM 0 H THR A 430 4.219 -5.597 0.697 1.00 0.00 H new ATOM 0 HA THR A 430 5.943 -4.537 2.853 1.00 0.00 H new ATOM 0 HB THR A 430 6.229 -7.000 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.863 -8.103 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 430 8.116 -7.573 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 430 8.395 -6.047 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.923 -6.017 3.418 1.00 0.00 H new ATOM 717 N CYS A 431 7.513 -3.446 1.243 1.00 0.00 N ATOM 718 CA CYS A 431 8.377 -2.758 0.304 1.00 0.00 C ATOM 719 C CYS A 431 9.376 -3.729 -0.293 1.00 0.00 C ATOM 720 O CYS A 431 10.176 -4.326 0.428 1.00 0.00 O ATOM 721 CB CYS A 431 9.120 -1.614 0.985 1.00 0.00 C ATOM 722 SG CYS A 431 10.365 -0.822 -0.081 1.00 0.00 S ATOM 0 H CYS A 431 7.646 -3.179 2.219 1.00 0.00 H new ATOM 0 HA CYS A 431 7.754 -2.345 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.398 -0.863 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.609 -1.992 1.883 1.00 0.00 H new ATOM 727 N MET A 432 9.318 -3.897 -1.606 1.00 0.00 N ATOM 728 CA MET A 432 10.237 -4.781 -2.291 1.00 0.00 C ATOM 729 C MET A 432 10.621 -4.194 -3.636 1.00 0.00 C ATOM 730 O MET A 432 9.772 -3.726 -4.385 1.00 0.00 O ATOM 731 CB MET A 432 9.622 -6.169 -2.448 1.00 0.00 C ATOM 732 CG MET A 432 8.913 -6.411 -3.764 1.00 0.00 C ATOM 733 SD MET A 432 8.313 -8.104 -3.925 1.00 0.00 S ATOM 734 CE MET A 432 7.694 -8.084 -5.607 1.00 0.00 C ATOM 0 H MET A 432 8.644 -3.432 -2.214 1.00 0.00 H new ATOM 0 HA MET A 432 11.144 -4.883 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 432 10.410 -6.914 -2.335 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.913 -6.329 -1.636 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.073 -5.722 -3.853 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.594 -6.191 -4.586 1.00 0.00 H new ATOM 0 HE1 MET A 432 6.990 -8.904 -5.745 1.00 0.00 H new ATOM 0 HE2 MET A 432 7.190 -7.137 -5.798 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.526 -8.199 -6.302 1.00 0.00 H new ATOM 744 N GLU A 433 11.911 -4.226 -3.906 1.00 0.00 N ATOM 745 CA GLU A 433 12.522 -3.613 -5.094 1.00 0.00 C ATOM 746 C GLU A 433 11.821 -2.311 -5.520 1.00 0.00 C ATOM 747 O GLU A 433 11.596 -2.082 -6.709 1.00 0.00 O ATOM 748 CB GLU A 433 12.540 -4.622 -6.239 1.00 0.00 C ATOM 749 CG GLU A 433 13.930 -4.908 -6.796 1.00 0.00 C ATOM 750 CD GLU A 433 14.537 -3.723 -7.523 1.00 0.00 C ATOM 751 OE1 GLU A 433 14.193 -3.509 -8.705 1.00 0.00 O ATOM 752 OE2 GLU A 433 15.370 -3.013 -6.925 1.00 0.00 O ATOM 0 H GLU A 433 12.589 -4.687 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 433 13.544 -3.337 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.100 -5.557 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.907 -4.252 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.589 -5.201 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.873 -5.755 -7.479 1.00 0.00 H new ATOM 759 N ASN A 434 11.448 -1.486 -4.529 1.00 0.00 N ATOM 760 CA ASN A 434 10.825 -0.165 -4.761 1.00 0.00 C ATOM 761 C ASN A 434 9.349 -0.289 -5.157 1.00 0.00 C ATOM 762 O ASN A 434 8.559 0.639 -4.955 1.00 0.00 O ATOM 763 CB ASN A 434 11.596 0.629 -5.825 1.00 0.00 C ATOM 764 CG ASN A 434 10.892 1.908 -6.246 1.00 0.00 C ATOM 765 OD1 ASN A 434 11.037 2.948 -5.608 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.135 1.847 -7.334 1.00 0.00 N ATOM 0 H ASN A 434 11.568 -1.713 -3.542 1.00 0.00 H new ATOM 0 HA ASN A 434 10.872 0.378 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.585 0.877 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.745 -0.001 -6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 434 9.651 2.681 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 434 10.038 0.966 -7.839 1.00 0.00 H new ATOM 773 N GLY A 435 8.975 -1.434 -5.700 1.00 0.00 N ATOM 774 CA GLY A 435 7.601 -1.663 -6.089 1.00 0.00 C ATOM 775 C GLY A 435 6.895 -2.551 -5.093 1.00 0.00 C ATOM 776 O GLY A 435 7.196 -3.740 -5.011 1.00 0.00 O ATOM 0 H GLY A 435 9.604 -2.216 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.078 -0.710 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.571 -2.123 -7.077 1.00 0.00 H new ATOM 780 N TRP A 436 5.968 -1.960 -4.340 1.00 0.00 N ATOM 781 CA TRP A 436 5.264 -2.646 -3.255 1.00 0.00 C ATOM 782 C TRP A 436 4.913 -4.084 -3.619 1.00 0.00 C ATOM 783 O TRP A 436 4.253 -4.341 -4.629 1.00 0.00 O ATOM 784 CB TRP A 436 4.009 -1.862 -2.883 1.00 0.00 C ATOM 785 CG TRP A 436 4.318 -0.478 -2.395 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.139 0.691 -3.077 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.876 -0.121 -1.125 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.546 1.751 -2.307 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.002 1.278 -1.103 1.00 0.00 C ATOM 790 CE3 TRP A 436 5.280 -0.851 0.000 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.511 1.963 -0.005 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.787 -0.169 1.088 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.897 1.224 1.078 1.00 0.00 C ATOM 0 H TRP A 436 5.683 -0.989 -4.465 1.00 0.00 H new ATOM 0 HA TRP A 436 5.932 -2.692 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.353 -1.799 -3.752 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.463 -2.403 -2.110 1.00 0.00 H new ATOM 0 HD1 TRP A 436 3.736 0.770 -4.076 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.515 2.732 -2.585 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.196 -1.928 0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.598 3.039 -0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 6.104 -0.721 1.961 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.296 1.728 1.946 1.00 0.00 H new ATOM 804 N SER A 437 5.356 -4.998 -2.758 1.00 0.00 N ATOM 805 CA SER A 437 5.382 -6.427 -3.037 1.00 0.00 C ATOM 806 C SER A 437 4.123 -6.970 -3.722 1.00 0.00 C ATOM 807 O SER A 437 4.236 -7.639 -4.752 1.00 0.00 O ATOM 808 CB SER A 437 5.717 -7.211 -1.753 1.00 0.00 C ATOM 809 OG SER A 437 4.676 -7.206 -0.793 1.00 0.00 O ATOM 0 H SER A 437 5.712 -4.759 -1.832 1.00 0.00 H new ATOM 0 HA SER A 437 6.173 -6.578 -3.772 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.949 -8.242 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.615 -6.787 -1.304 1.00 0.00 H new ATOM 0 HG SER A 437 4.708 -8.035 -0.271 1.00 0.00 H new ATOM 815 N PRO A 438 2.910 -6.721 -3.200 1.00 0.00 N ATOM 816 CA PRO A 438 1.705 -7.270 -3.768 1.00 0.00 C ATOM 817 C PRO A 438 0.892 -6.228 -4.532 1.00 0.00 C ATOM 818 O PRO A 438 -0.187 -6.508 -5.052 1.00 0.00 O ATOM 819 CB PRO A 438 1.023 -7.709 -2.497 1.00 0.00 C ATOM 820 CG PRO A 438 1.281 -6.594 -1.542 1.00 0.00 C ATOM 821 CD PRO A 438 2.571 -5.947 -1.993 1.00 0.00 C ATOM 0 HA PRO A 438 1.855 -8.051 -4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.045 -7.863 -2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.432 -8.651 -2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 438 0.461 -5.876 -1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.368 -6.967 -0.521 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.438 -4.888 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.349 -6.019 -1.233 1.00 0.00 H new ATOM 829 N THR A 439 1.456 -5.025 -4.573 1.00 0.00 N ATOM 830 CA THR A 439 0.899 -3.882 -5.293 1.00 0.00 C ATOM 831 C THR A 439 -0.337 -3.304 -4.595 1.00 0.00 C ATOM 832 O THR A 439 -1.355 -3.977 -4.444 1.00 0.00 O ATOM 833 CB THR A 439 0.557 -4.255 -6.748 1.00 0.00 C ATOM 834 OG1 THR A 439 1.700 -4.874 -7.356 1.00 0.00 O ATOM 835 CG2 THR A 439 0.158 -3.026 -7.552 1.00 0.00 C ATOM 0 H THR A 439 2.332 -4.812 -4.097 1.00 0.00 H new ATOM 0 HA THR A 439 1.670 -3.111 -5.297 1.00 0.00 H new ATOM 0 HB THR A 439 -0.287 -4.945 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.488 -5.115 -8.282 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.078 -3.321 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.717 -2.562 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.983 -2.313 -7.561 1.00 0.00 H new ATOM 843 N PRO A 440 -0.246 -2.042 -4.136 1.00 0.00 N ATOM 844 CA PRO A 440 -1.386 -1.323 -3.556 1.00 0.00 C ATOM 845 C PRO A 440 -2.493 -1.095 -4.589 1.00 0.00 C ATOM 846 O PRO A 440 -2.479 -0.115 -5.330 1.00 0.00 O ATOM 847 CB PRO A 440 -0.782 0.010 -3.094 1.00 0.00 C ATOM 848 CG PRO A 440 0.462 0.169 -3.899 1.00 0.00 C ATOM 849 CD PRO A 440 0.978 -1.223 -4.129 1.00 0.00 C ATOM 0 HA PRO A 440 -1.858 -1.879 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.472 0.836 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.562 -0.005 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.255 0.671 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.196 0.776 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.519 -1.301 -5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.665 -1.533 -3.341 1.00 0.00 H new ATOM 857 N ARG A 441 -3.438 -2.026 -4.645 1.00 0.00 N ATOM 858 CA ARG A 441 -4.520 -1.965 -5.623 1.00 0.00 C ATOM 859 C ARG A 441 -5.829 -1.541 -4.971 1.00 0.00 C ATOM 860 O ARG A 441 -6.495 -0.625 -5.455 1.00 0.00 O ATOM 861 CB ARG A 441 -4.713 -3.329 -6.299 1.00 0.00 C ATOM 862 CG ARG A 441 -3.574 -3.737 -7.225 1.00 0.00 C ATOM 863 CD ARG A 441 -3.399 -2.759 -8.381 1.00 0.00 C ATOM 864 NE ARG A 441 -4.604 -2.641 -9.208 1.00 0.00 N ATOM 865 CZ ARG A 441 -4.603 -2.656 -10.539 1.00 0.00 C ATOM 866 NH1 ARG A 441 -3.476 -2.876 -11.211 1.00 0.00 N ATOM 867 NH2 ARG A 441 -5.741 -2.465 -11.195 1.00 0.00 N ATOM 0 H ARG A 441 -3.478 -2.834 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.242 -1.223 -6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.829 -4.090 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.641 -3.310 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.647 -3.794 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -3.768 -4.734 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.137 -1.778 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.566 -3.084 -9.004 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.501 -2.541 -8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.604 -3.035 -10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.484 -2.886 -12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.607 -2.308 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -5.750 -2.475 -12.215 1.00 0.00 H new ATOM 881 N CYS A 442 -6.185 -2.209 -3.877 1.00 0.00 N ATOM 882 CA CYS A 442 -7.471 -1.995 -3.216 1.00 0.00 C ATOM 883 C CYS A 442 -8.625 -2.305 -4.159 1.00 0.00 C ATOM 884 O CYS A 442 -9.216 -1.413 -4.772 1.00 0.00 O ATOM 885 CB CYS A 442 -7.585 -0.575 -2.666 1.00 0.00 C ATOM 886 SG CYS A 442 -6.512 -0.265 -1.228 1.00 0.00 S ATOM 0 H CYS A 442 -5.596 -2.909 -3.426 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.527 -2.683 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -7.334 0.133 -3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.621 -0.385 -2.384 1.00 0.00 H new ATOM 891 N ILE A 443 -8.928 -3.585 -4.265 1.00 0.00 N ATOM 892 CA ILE A 443 -10.004 -4.057 -5.101 1.00 0.00 C ATOM 893 C ILE A 443 -11.265 -4.236 -4.282 1.00 0.00 C ATOM 894 O ILE A 443 -11.206 -4.423 -3.064 1.00 0.00 O ATOM 895 CB ILE A 443 -9.647 -5.390 -5.775 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.878 -6.301 -4.822 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.847 -5.143 -7.028 1.00 0.00 C ATOM 898 CD1 ILE A 443 -8.560 -7.664 -5.399 1.00 0.00 C ATOM 0 H ILE A 443 -8.430 -4.325 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.170 -3.308 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.576 -5.894 -6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.946 -5.811 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.460 -6.430 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.600 -6.096 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.433 -4.539 -7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.928 -4.615 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.013 -8.252 -4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.487 -8.176 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.950 -7.547 -6.295 1.00 0.00 H new ATOM 910 N ARG A 444 -12.398 -4.160 -4.949 1.00 0.00 N ATOM 911 CA ARG A 444 -13.676 -4.296 -4.297 1.00 0.00 C ATOM 912 C ARG A 444 -13.944 -5.737 -3.912 1.00 0.00 C ATOM 913 O ARG A 444 -14.209 -6.599 -4.752 1.00 0.00 O ATOM 914 CB ARG A 444 -14.780 -3.768 -5.198 1.00 0.00 C ATOM 915 CG ARG A 444 -16.121 -3.702 -4.512 1.00 0.00 C ATOM 916 CD ARG A 444 -17.184 -3.093 -5.407 1.00 0.00 C ATOM 917 NE ARG A 444 -18.470 -3.003 -4.725 1.00 0.00 N ATOM 918 CZ ARG A 444 -19.363 -2.041 -4.943 1.00 0.00 C ATOM 919 NH1 ARG A 444 -19.098 -1.064 -5.804 1.00 0.00 N ATOM 920 NH2 ARG A 444 -20.516 -2.051 -4.290 1.00 0.00 N ATOM 0 H ARG A 444 -12.455 -4.003 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.657 -3.706 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.509 -2.773 -5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.859 -4.406 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.427 -4.705 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.033 -3.113 -3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.869 -2.099 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.291 -3.696 -6.309 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.699 -3.722 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.207 -1.050 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.785 -0.329 -5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.717 -2.795 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -21.202 -1.315 -4.455 1.00 0.00 H new ATOM 934 N VAL A 445 -13.861 -5.965 -2.625 1.00 0.00 N ATOM 935 CA VAL A 445 -14.150 -7.246 -2.025 1.00 0.00 C ATOM 936 C VAL A 445 -15.639 -7.543 -2.136 1.00 0.00 C ATOM 937 O VAL A 445 -16.048 -8.625 -2.561 1.00 0.00 O ATOM 938 CB VAL A 445 -13.758 -7.215 -0.540 1.00 0.00 C ATOM 939 CG1 VAL A 445 -14.070 -8.539 0.139 1.00 0.00 C ATOM 940 CG2 VAL A 445 -12.293 -6.854 -0.376 1.00 0.00 C ATOM 0 H VAL A 445 -13.585 -5.251 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.583 -8.019 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 445 -14.354 -6.443 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.782 -8.486 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -15.138 -8.743 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -13.514 -9.339 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.039 -6.838 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -11.677 -7.594 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.110 -5.870 -0.808 1.00 0.00 H new