USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 648 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 487 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.3) USER MOD Set 1.2: A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 MET CE :methyl 159:sc=-0.00997 (180deg=-0.407) USER MOD Single : A 503 HIS : no HD1:sc= -0.135 K(o=-0.13,f=-0.99) USER MOD Single : A 510 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HE2:sc= -0.851 K(o=-0.85,f=-2.2) USER MOD Single : A 529 SER OG : rot -88:sc= -0.222 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.737 USER MOD Single : A 535 LYS NZ :NH3+ -167:sc= -0.041 (180deg=-0.264) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.0747 K(o=-0.075,f=-1.4!) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 ASN :FLIP amide:sc= -0.579 F(o=-4.1!,f=-0.58) USER MOD Single : A 553 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.568) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc=-0.00745 X(o=-0.0074,f=0.082) USER MOD Single : A 557 MET CE :methyl 133:sc= -0.175 (180deg=-1.5) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 GLN : amide:sc=-0.00121 X(o=-0.0012,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.427 -4.555 -4.921 1.00 41.33 N ATOM 29 CA ASP A 482 4.094 -4.780 -6.199 1.00 15.42 C ATOM 30 C ASP A 482 3.093 -5.214 -7.265 1.00 35.33 C ATOM 31 O ASP A 482 3.317 -5.018 -8.459 1.00 51.31 O ATOM 32 CB ASP A 482 5.188 -5.837 -6.048 1.00 22.00 C ATOM 33 CG ASP A 482 6.386 -5.561 -6.936 1.00 73.40 C ATOM 34 OD1 ASP A 482 7.024 -6.534 -7.389 1.00 22.10 O ATOM 35 OD2 ASP A 482 6.685 -4.373 -7.177 1.00 52.04 O ATOM 0 HA ASP A 482 4.549 -3.841 -6.514 1.00 15.42 H new ATOM 0 HB2 ASP A 482 5.511 -5.875 -5.008 1.00 22.00 H new ATOM 0 HB3 ASP A 482 4.778 -6.817 -6.290 1.00 22.00 H new ATOM 40 N VAL A 483 1.987 -5.807 -6.825 1.00 22.43 N ATOM 41 CA VAL A 483 0.952 -6.270 -7.741 1.00 35.25 C ATOM 42 C VAL A 483 -0.426 -6.207 -7.090 1.00 23.33 C ATOM 43 O VAL A 483 -1.404 -5.807 -7.719 1.00 43.34 O ATOM 44 CB VAL A 483 1.220 -7.713 -8.209 1.00 44.42 C ATOM 45 CG1 VAL A 483 1.419 -8.634 -7.015 1.00 45.32 C ATOM 46 CG2 VAL A 483 0.083 -8.207 -9.090 1.00 41.34 C ATOM 0 H VAL A 483 1.785 -5.978 -5.840 1.00 22.43 H new ATOM 0 HA VAL A 483 0.974 -5.606 -8.605 1.00 35.25 H new ATOM 0 HB VAL A 483 2.136 -7.720 -8.799 1.00 44.42 H new ATOM 0 HG11 VAL A 483 1.607 -9.649 -7.366 1.00 45.32 H new ATOM 0 HG12 VAL A 483 2.270 -8.289 -6.428 1.00 45.32 H new ATOM 0 HG13 VAL A 483 0.523 -8.625 -6.395 1.00 45.32 H new ATOM 0 HG21 VAL A 483 0.289 -9.228 -9.412 1.00 41.34 H new ATOM 0 HG22 VAL A 483 -0.850 -8.185 -8.526 1.00 41.34 H new ATOM 0 HG23 VAL A 483 -0.006 -7.562 -9.964 1.00 41.34 H new ATOM 56 N GLY A 484 -0.495 -6.606 -5.823 1.00 44.11 N ATOM 57 CA GLY A 484 -1.757 -6.587 -5.107 1.00 43.20 C ATOM 58 C GLY A 484 -2.130 -7.948 -4.554 1.00 10.34 C ATOM 59 O GLY A 484 -3.308 -8.299 -4.493 1.00 55.13 O ATOM 0 H GLY A 484 0.301 -6.942 -5.280 1.00 44.11 H new ATOM 0 HA2 GLY A 484 -1.696 -5.870 -4.288 1.00 43.20 H new ATOM 0 HA3 GLY A 484 -2.545 -6.241 -5.776 1.00 43.20 H new ATOM 63 N ASP A 485 -1.125 -8.716 -4.150 1.00 24.40 N ATOM 64 CA ASP A 485 -1.353 -10.047 -3.599 1.00 61.22 C ATOM 65 C ASP A 485 -2.188 -9.972 -2.325 1.00 12.01 C ATOM 66 O ASP A 485 -1.656 -9.772 -1.233 1.00 70.34 O ATOM 67 CB ASP A 485 -0.020 -10.738 -3.310 1.00 24.42 C ATOM 68 CG ASP A 485 -0.060 -12.224 -3.610 1.00 52.25 C ATOM 69 OD1 ASP A 485 -0.671 -12.973 -2.820 1.00 30.15 O ATOM 70 OD2 ASP A 485 0.518 -12.637 -4.637 1.00 50.11 O ATOM 0 H ASP A 485 -0.144 -8.440 -4.194 1.00 24.40 H new ATOM 0 HA ASP A 485 -1.902 -10.630 -4.338 1.00 61.22 H new ATOM 0 HB2 ASP A 485 0.764 -10.271 -3.906 1.00 24.42 H new ATOM 0 HB3 ASP A 485 0.244 -10.589 -2.263 1.00 24.42 H new ATOM 75 N MET A 486 -3.499 -10.132 -2.472 1.00 72.24 N ATOM 76 CA MET A 486 -4.408 -10.082 -1.333 1.00 22.42 C ATOM 77 C MET A 486 -5.220 -11.370 -1.228 1.00 44.42 C ATOM 78 O MET A 486 -5.962 -11.721 -2.144 1.00 54.13 O ATOM 79 CB MET A 486 -5.348 -8.881 -1.455 1.00 24.53 C ATOM 80 CG MET A 486 -5.366 -7.996 -0.219 1.00 45.13 C ATOM 81 SD MET A 486 -5.374 -6.239 -0.624 1.00 42.12 S ATOM 82 CE MET A 486 -6.782 -6.153 -1.728 1.00 43.51 C ATOM 0 H MET A 486 -3.956 -10.297 -3.369 1.00 72.24 H new ATOM 0 HA MET A 486 -3.810 -9.975 -0.428 1.00 22.42 H new ATOM 0 HB2 MET A 486 -5.050 -8.283 -2.316 1.00 24.53 H new ATOM 0 HB3 MET A 486 -6.359 -9.239 -1.650 1.00 24.53 H new ATOM 0 HG2 MET A 486 -6.247 -8.231 0.379 1.00 45.13 H new ATOM 0 HG3 MET A 486 -4.494 -8.219 0.396 1.00 45.13 H new ATOM 0 HE1 MET A 486 -7.149 -5.127 -1.771 1.00 43.51 H new ATOM 0 HE2 MET A 486 -6.482 -6.473 -2.726 1.00 43.51 H new ATOM 0 HE3 MET A 486 -7.573 -6.806 -1.360 1.00 43.51 H new ATOM 92 N GLN A 487 -5.072 -12.068 -0.107 1.00 1.42 N ATOM 93 CA GLN A 487 -5.791 -13.316 0.116 1.00 73.35 C ATOM 94 C GLN A 487 -6.068 -13.528 1.600 1.00 31.23 C ATOM 95 O GLN A 487 -5.607 -12.759 2.445 1.00 42.04 O ATOM 96 CB GLN A 487 -4.992 -14.496 -0.440 1.00 25.02 C ATOM 97 CG GLN A 487 -4.408 -14.240 -1.820 1.00 4.54 C ATOM 98 CD GLN A 487 -3.539 -15.382 -2.308 1.00 34.53 C ATOM 99 OE1 GLN A 487 -2.728 -15.925 -1.557 1.00 70.32 O ATOM 100 NE2 GLN A 487 -3.706 -15.755 -3.571 1.00 42.24 N ATOM 0 H GLN A 487 -4.461 -11.790 0.661 1.00 1.42 H new ATOM 0 HA GLN A 487 -6.745 -13.254 -0.407 1.00 73.35 H new ATOM 0 HB2 GLN A 487 -4.182 -14.733 0.250 1.00 25.02 H new ATOM 0 HB3 GLN A 487 -5.638 -15.372 -0.485 1.00 25.02 H new ATOM 0 HG2 GLN A 487 -5.220 -14.078 -2.529 1.00 4.54 H new ATOM 0 HG3 GLN A 487 -3.818 -13.324 -1.796 1.00 4.54 H new ATOM 0 HE21 GLN A 487 -4.390 -15.277 -4.158 1.00 42.24 H new ATOM 0 HE22 GLN A 487 -3.151 -16.520 -3.955 1.00 42.24 H new ATOM 109 N LEU A 488 -6.824 -14.575 1.912 1.00 22.15 N ATOM 110 CA LEU A 488 -7.163 -14.889 3.296 1.00 2.53 C ATOM 111 C LEU A 488 -6.401 -16.119 3.778 1.00 32.12 C ATOM 112 O LEU A 488 -6.685 -17.241 3.358 1.00 30.25 O ATOM 113 CB LEU A 488 -8.669 -15.121 3.433 1.00 4.42 C ATOM 114 CG LEU A 488 -9.246 -14.966 4.840 1.00 14.54 C ATOM 115 CD1 LEU A 488 -9.036 -13.548 5.351 1.00 70.44 C ATOM 116 CD2 LEU A 488 -10.725 -15.325 4.852 1.00 11.43 C ATOM 0 H LEU A 488 -7.214 -15.221 1.226 1.00 22.15 H new ATOM 0 HA LEU A 488 -6.875 -14.040 3.916 1.00 2.53 H new ATOM 0 HB2 LEU A 488 -9.185 -14.425 2.771 1.00 4.42 H new ATOM 0 HB3 LEU A 488 -8.895 -16.126 3.078 1.00 4.42 H new ATOM 0 HG LEU A 488 -8.720 -15.651 5.505 1.00 14.54 H new ATOM 0 HD11 LEU A 488 -9.453 -13.457 6.354 1.00 70.44 H new ATOM 0 HD12 LEU A 488 -7.969 -13.326 5.380 1.00 70.44 H new ATOM 0 HD13 LEU A 488 -9.535 -12.844 4.685 1.00 70.44 H new ATOM 0 HD21 LEU A 488 -11.119 -15.209 5.862 1.00 11.43 H new ATOM 0 HD22 LEU A 488 -11.265 -14.665 4.173 1.00 11.43 H new ATOM 0 HD23 LEU A 488 -10.851 -16.359 4.530 1.00 11.43 H new ATOM 128 N TYR A 489 -5.435 -15.901 4.663 1.00 64.11 N ATOM 129 CA TYR A 489 -4.632 -16.992 5.202 1.00 22.22 C ATOM 130 C TYR A 489 -5.022 -17.294 6.646 1.00 1.30 C ATOM 131 O TYR A 489 -4.831 -16.467 7.538 1.00 52.32 O ATOM 132 CB TYR A 489 -3.144 -16.645 5.126 1.00 11.31 C ATOM 133 CG TYR A 489 -2.778 -15.810 3.920 1.00 54.51 C ATOM 134 CD1 TYR A 489 -2.846 -14.423 3.964 1.00 54.41 C ATOM 135 CD2 TYR A 489 -2.364 -16.408 2.736 1.00 3.23 C ATOM 136 CE1 TYR A 489 -2.514 -13.656 2.864 1.00 1.10 C ATOM 137 CE2 TYR A 489 -2.028 -15.649 1.632 1.00 42.12 C ATOM 138 CZ TYR A 489 -2.105 -14.273 1.700 1.00 30.55 C ATOM 139 OH TYR A 489 -1.772 -13.513 0.603 1.00 25.21 O ATOM 0 H TYR A 489 -5.189 -14.979 5.022 1.00 64.11 H new ATOM 0 HA TYR A 489 -4.822 -17.880 4.600 1.00 22.22 H new ATOM 0 HB2 TYR A 489 -2.858 -16.107 6.030 1.00 11.31 H new ATOM 0 HB3 TYR A 489 -2.565 -17.568 5.108 1.00 11.31 H new ATOM 0 HD1 TYR A 489 -3.164 -13.936 4.874 1.00 54.41 H new ATOM 0 HD2 TYR A 489 -2.304 -17.485 2.678 1.00 3.23 H new ATOM 0 HE1 TYR A 489 -2.574 -12.579 2.915 1.00 1.10 H new ATOM 0 HE2 TYR A 489 -1.707 -16.130 0.720 1.00 42.12 H new ATOM 0 HH TYR A 489 -1.504 -14.101 -0.134 1.00 25.21 H new ATOM 149 N ARG A 490 -5.569 -18.484 6.868 1.00 63.51 N ATOM 150 CA ARG A 490 -5.987 -18.897 8.203 1.00 44.55 C ATOM 151 C ARG A 490 -4.949 -19.818 8.837 1.00 72.43 C ATOM 152 O ARG A 490 -4.491 -20.775 8.212 1.00 23.41 O ATOM 153 CB ARG A 490 -7.342 -19.603 8.140 1.00 31.02 C ATOM 154 CG ARG A 490 -7.295 -20.949 7.436 1.00 75.12 C ATOM 155 CD ARG A 490 -7.265 -22.098 8.431 1.00 22.14 C ATOM 156 NE ARG A 490 -8.607 -22.548 8.790 1.00 12.40 N ATOM 157 CZ ARG A 490 -9.332 -23.369 8.039 1.00 32.31 C ATOM 158 NH1 ARG A 490 -8.846 -23.829 6.894 1.00 31.15 N ATOM 159 NH2 ARG A 490 -10.546 -23.733 8.433 1.00 21.01 N ATOM 0 H ARG A 490 -5.733 -19.180 6.141 1.00 63.51 H new ATOM 0 HA ARG A 490 -6.079 -18.004 8.821 1.00 44.55 H new ATOM 0 HB2 ARG A 490 -7.715 -19.746 9.154 1.00 31.02 H new ATOM 0 HB3 ARG A 490 -8.055 -18.958 7.626 1.00 31.02 H new ATOM 0 HG2 ARG A 490 -8.164 -21.052 6.787 1.00 75.12 H new ATOM 0 HG3 ARG A 490 -6.413 -20.996 6.798 1.00 75.12 H new ATOM 0 HD2 ARG A 490 -6.705 -22.931 8.006 1.00 22.14 H new ATOM 0 HD3 ARG A 490 -6.735 -21.784 9.331 1.00 22.14 H new ATOM 0 HE ARG A 490 -9.010 -22.213 9.665 1.00 12.40 H new ATOM 0 HH11 ARG A 490 -7.913 -23.552 6.588 1.00 31.15 H new ATOM 0 HH12 ARG A 490 -9.405 -24.459 6.319 1.00 31.15 H new ATOM 0 HH21 ARG A 490 -10.923 -23.382 9.313 1.00 21.01 H new ATOM 0 HH22 ARG A 490 -11.102 -24.364 7.855 1.00 21.01 H new ATOM 173 N ILE A 491 -4.584 -19.523 10.080 1.00 42.25 N ATOM 174 CA ILE A 491 -3.601 -20.325 10.798 1.00 74.24 C ATOM 175 C ILE A 491 -4.276 -21.243 11.812 1.00 53.35 C ATOM 176 O ILE A 491 -5.470 -21.113 12.082 1.00 63.33 O ATOM 177 CB ILE A 491 -2.576 -19.438 11.528 1.00 65.32 C ATOM 178 CG1 ILE A 491 -3.248 -18.683 12.676 1.00 24.24 C ATOM 179 CG2 ILE A 491 -1.928 -18.465 10.554 1.00 74.22 C ATOM 180 CD1 ILE A 491 -2.301 -17.790 13.448 1.00 74.12 C ATOM 0 H ILE A 491 -4.954 -18.735 10.611 1.00 42.25 H new ATOM 0 HA ILE A 491 -3.082 -20.929 10.054 1.00 74.24 H new ATOM 0 HB ILE A 491 -1.797 -20.077 11.945 1.00 65.32 H new ATOM 0 HG12 ILE A 491 -4.061 -18.077 12.275 1.00 24.24 H new ATOM 0 HG13 ILE A 491 -3.695 -19.403 13.361 1.00 24.24 H new ATOM 0 HG21 ILE A 491 -1.206 -17.845 11.085 1.00 74.22 H new ATOM 0 HG22 ILE A 491 -1.419 -19.022 9.768 1.00 74.22 H new ATOM 0 HG23 ILE A 491 -2.695 -17.830 10.110 1.00 74.22 H new ATOM 0 HD11 ILE A 491 -2.846 -17.286 14.246 1.00 74.12 H new ATOM 0 HD12 ILE A 491 -1.502 -18.393 13.879 1.00 74.12 H new ATOM 0 HD13 ILE A 491 -1.873 -17.047 12.776 1.00 74.12 H new ATOM 192 N GLU A 492 -3.503 -22.168 12.370 1.00 30.45 N ATOM 193 CA GLU A 492 -4.027 -23.107 13.356 1.00 62.01 C ATOM 194 C GLU A 492 -3.714 -22.638 14.774 1.00 63.31 C ATOM 195 O GLU A 492 -3.175 -23.392 15.584 1.00 20.34 O ATOM 196 CB GLU A 492 -3.440 -24.502 13.127 1.00 53.42 C ATOM 197 CG GLU A 492 -4.185 -25.603 13.861 1.00 33.45 C ATOM 198 CD GLU A 492 -3.284 -26.761 14.246 1.00 11.43 C ATOM 199 OE1 GLU A 492 -2.478 -26.597 15.186 1.00 11.22 O ATOM 200 OE2 GLU A 492 -3.384 -27.829 13.608 1.00 33.11 O ATOM 0 H GLU A 492 -2.513 -22.288 12.157 1.00 30.45 H new ATOM 0 HA GLU A 492 -5.110 -23.152 13.237 1.00 62.01 H new ATOM 0 HB2 GLU A 492 -3.448 -24.719 12.059 1.00 53.42 H new ATOM 0 HB3 GLU A 492 -2.398 -24.505 13.446 1.00 53.42 H new ATOM 0 HG2 GLU A 492 -4.643 -25.190 14.760 1.00 33.45 H new ATOM 0 HG3 GLU A 492 -4.995 -25.971 13.231 1.00 33.45 H new ATOM 207 N VAL A 493 -4.055 -21.387 15.066 1.00 21.22 N ATOM 208 CA VAL A 493 -3.811 -20.817 16.386 1.00 53.23 C ATOM 209 C VAL A 493 -4.937 -19.873 16.793 1.00 40.44 C ATOM 210 O VAL A 493 -5.463 -19.126 15.969 1.00 52.32 O ATOM 211 CB VAL A 493 -2.475 -20.053 16.429 1.00 45.11 C ATOM 212 CG1 VAL A 493 -2.071 -19.763 17.867 1.00 51.04 C ATOM 213 CG2 VAL A 493 -1.389 -20.839 15.710 1.00 63.10 C ATOM 0 H VAL A 493 -4.501 -20.749 14.407 1.00 21.22 H new ATOM 0 HA VAL A 493 -3.767 -21.650 17.088 1.00 53.23 H new ATOM 0 HB VAL A 493 -2.604 -19.101 15.914 1.00 45.11 H new ATOM 0 HG11 VAL A 493 -1.124 -19.223 17.877 1.00 51.04 H new ATOM 0 HG12 VAL A 493 -2.840 -19.157 18.346 1.00 51.04 H new ATOM 0 HG13 VAL A 493 -1.959 -20.702 18.410 1.00 51.04 H new ATOM 0 HG21 VAL A 493 -0.451 -20.284 15.750 1.00 63.10 H new ATOM 0 HG22 VAL A 493 -1.259 -21.807 16.194 1.00 63.10 H new ATOM 0 HG23 VAL A 493 -1.677 -20.990 14.670 1.00 63.10 H new ATOM 223 N GLY A 494 -5.302 -19.911 18.071 1.00 62.33 N ATOM 224 CA GLY A 494 -6.363 -19.054 18.565 1.00 11.05 C ATOM 225 C GLY A 494 -6.196 -18.713 20.033 1.00 35.31 C ATOM 226 O GLY A 494 -5.156 -18.994 20.628 1.00 43.40 O ATOM 0 H GLY A 494 -4.882 -20.520 18.773 1.00 62.33 H new ATOM 0 HA2 GLY A 494 -6.384 -18.134 17.981 1.00 11.05 H new ATOM 0 HA3 GLY A 494 -7.323 -19.548 18.417 1.00 11.05 H new ATOM 230 N ARG A 495 -7.223 -18.106 20.618 1.00 14.41 N ATOM 231 CA ARG A 495 -7.185 -17.723 22.025 1.00 62.54 C ATOM 232 C ARG A 495 -6.890 -18.932 22.908 1.00 11.04 C ATOM 233 O ARG A 495 -6.254 -18.808 23.955 1.00 45.22 O ATOM 234 CB ARG A 495 -8.513 -17.087 22.439 1.00 43.12 C ATOM 235 CG ARG A 495 -9.724 -17.954 22.137 1.00 51.00 C ATOM 236 CD ARG A 495 -10.976 -17.415 22.811 1.00 75.33 C ATOM 237 NE ARG A 495 -12.191 -18.025 22.276 1.00 20.20 N ATOM 238 CZ ARG A 495 -13.416 -17.658 22.634 1.00 75.31 C ATOM 239 NH1 ARG A 495 -13.589 -16.689 23.522 1.00 71.10 N ATOM 240 NH2 ARG A 495 -14.473 -18.261 22.103 1.00 65.13 N ATOM 0 H ARG A 495 -8.092 -17.869 20.140 1.00 14.41 H new ATOM 0 HA ARG A 495 -6.385 -16.994 22.156 1.00 62.54 H new ATOM 0 HB2 ARG A 495 -8.487 -16.874 23.508 1.00 43.12 H new ATOM 0 HB3 ARG A 495 -8.624 -16.131 21.926 1.00 43.12 H new ATOM 0 HG2 ARG A 495 -9.881 -18.000 21.059 1.00 51.00 H new ATOM 0 HG3 ARG A 495 -9.537 -18.973 22.476 1.00 51.00 H new ATOM 0 HD2 ARG A 495 -10.919 -17.601 23.884 1.00 75.33 H new ATOM 0 HD3 ARG A 495 -11.023 -16.334 22.677 1.00 75.33 H new ATOM 0 HE ARG A 495 -12.093 -18.774 21.590 1.00 20.20 H new ATOM 0 HH11 ARG A 495 -12.780 -16.223 23.932 1.00 71.10 H new ATOM 0 HH12 ARG A 495 -14.531 -16.409 23.795 1.00 71.10 H new ATOM 0 HH21 ARG A 495 -14.345 -19.007 21.419 1.00 65.13 H new ATOM 0 HH22 ARG A 495 -15.413 -17.978 22.379 1.00 65.13 H new ATOM 254 N ASP A 496 -7.358 -20.099 22.480 1.00 21.33 N ATOM 255 CA ASP A 496 -7.144 -21.331 23.232 1.00 13.40 C ATOM 256 C ASP A 496 -5.703 -21.811 23.091 1.00 53.44 C ATOM 257 O ASP A 496 -5.225 -22.614 23.891 1.00 3.15 O ATOM 258 CB ASP A 496 -8.107 -22.419 22.754 1.00 43.24 C ATOM 259 CG ASP A 496 -8.528 -23.352 23.872 1.00 44.01 C ATOM 260 OD1 ASP A 496 -7.637 -23.939 24.522 1.00 11.54 O ATOM 261 OD2 ASP A 496 -9.747 -23.495 24.097 1.00 33.11 O ATOM 0 H ASP A 496 -7.888 -20.218 21.617 1.00 21.33 H new ATOM 0 HA ASP A 496 -7.337 -21.123 24.285 1.00 13.40 H new ATOM 0 HB2 ASP A 496 -8.992 -21.952 22.322 1.00 43.24 H new ATOM 0 HB3 ASP A 496 -7.632 -22.997 21.961 1.00 43.24 H new ATOM 266 N ASP A 497 -5.018 -21.314 22.067 1.00 64.10 N ATOM 267 CA ASP A 497 -3.631 -21.692 21.820 1.00 21.12 C ATOM 268 C ASP A 497 -2.673 -20.694 22.463 1.00 21.01 C ATOM 269 O ASP A 497 -1.647 -21.076 23.025 1.00 73.00 O ATOM 270 CB ASP A 497 -3.363 -21.779 20.317 1.00 74.02 C ATOM 271 CG ASP A 497 -2.065 -22.495 20.000 1.00 32.12 C ATOM 272 OD1 ASP A 497 -1.053 -22.215 20.676 1.00 23.31 O ATOM 273 OD2 ASP A 497 -2.062 -23.336 19.077 1.00 2.02 O ATOM 0 H ASP A 497 -5.400 -20.649 21.395 1.00 64.10 H new ATOM 0 HA ASP A 497 -3.462 -22.671 22.268 1.00 21.12 H new ATOM 0 HB2 ASP A 497 -4.189 -22.300 19.833 1.00 74.02 H new ATOM 0 HB3 ASP A 497 -3.331 -20.773 19.898 1.00 74.02 H new ATOM 278 N GLY A 498 -3.015 -19.412 22.375 1.00 22.10 N ATOM 279 CA GLY A 498 -2.174 -18.379 22.951 1.00 12.12 C ATOM 280 C GLY A 498 -1.959 -17.213 22.007 1.00 53.21 C ATOM 281 O GLY A 498 -0.889 -16.605 21.993 1.00 41.20 O ATOM 0 H GLY A 498 -3.859 -19.071 21.915 1.00 22.10 H new ATOM 0 HA2 GLY A 498 -2.629 -18.017 23.873 1.00 12.12 H new ATOM 0 HA3 GLY A 498 -1.209 -18.808 23.219 1.00 12.12 H new ATOM 285 N VAL A 499 -2.979 -16.900 21.213 1.00 21.13 N ATOM 286 CA VAL A 499 -2.897 -15.800 20.261 1.00 44.54 C ATOM 287 C VAL A 499 -4.158 -14.945 20.298 1.00 13.42 C ATOM 288 O VAL A 499 -5.248 -15.442 20.578 1.00 33.30 O ATOM 289 CB VAL A 499 -2.681 -16.315 18.825 1.00 14.31 C ATOM 290 CG1 VAL A 499 -3.989 -16.826 18.240 1.00 63.15 C ATOM 291 CG2 VAL A 499 -2.088 -15.221 17.950 1.00 4.24 C ATOM 0 H VAL A 499 -3.872 -17.394 21.211 1.00 21.13 H new ATOM 0 HA VAL A 499 -2.041 -15.192 20.554 1.00 44.54 H new ATOM 0 HB VAL A 499 -1.975 -17.145 18.857 1.00 14.31 H new ATOM 0 HG11 VAL A 499 -3.818 -17.186 17.225 1.00 63.15 H new ATOM 0 HG12 VAL A 499 -4.369 -17.642 18.855 1.00 63.15 H new ATOM 0 HG13 VAL A 499 -4.719 -16.017 18.220 1.00 63.15 H new ATOM 0 HG21 VAL A 499 -1.942 -15.602 16.939 1.00 4.24 H new ATOM 0 HG22 VAL A 499 -2.768 -14.369 17.922 1.00 4.24 H new ATOM 0 HG23 VAL A 499 -1.129 -14.906 18.361 1.00 4.24 H new ATOM 301 N GLU A 500 -4.002 -13.655 20.014 1.00 22.40 N ATOM 302 CA GLU A 500 -5.130 -12.731 20.016 1.00 64.11 C ATOM 303 C GLU A 500 -5.224 -11.985 18.688 1.00 72.42 C ATOM 304 O GLU A 500 -4.482 -12.271 17.748 1.00 20.42 O ATOM 305 CB GLU A 500 -4.996 -11.731 21.166 1.00 33.24 C ATOM 306 CG GLU A 500 -4.473 -12.349 22.452 1.00 21.01 C ATOM 307 CD GLU A 500 -2.959 -12.430 22.486 1.00 11.05 C ATOM 308 OE1 GLU A 500 -2.304 -11.387 22.282 1.00 42.01 O ATOM 309 OE2 GLU A 500 -2.430 -13.537 22.718 1.00 20.33 O ATOM 0 H GLU A 500 -3.106 -13.227 19.780 1.00 22.40 H new ATOM 0 HA GLU A 500 -6.042 -13.312 20.153 1.00 64.11 H new ATOM 0 HB2 GLU A 500 -4.327 -10.927 20.861 1.00 33.24 H new ATOM 0 HB3 GLU A 500 -5.969 -11.280 21.359 1.00 33.24 H new ATOM 0 HG2 GLU A 500 -4.821 -11.761 23.301 1.00 21.01 H new ATOM 0 HG3 GLU A 500 -4.889 -13.350 22.565 1.00 21.01 H new ATOM 316 N VAL A 501 -6.143 -11.028 18.618 1.00 53.33 N ATOM 317 CA VAL A 501 -6.336 -10.240 17.406 1.00 3.01 C ATOM 318 C VAL A 501 -5.237 -9.195 17.250 1.00 64.14 C ATOM 319 O VAL A 501 -4.845 -8.854 16.133 1.00 11.44 O ATOM 320 CB VAL A 501 -7.704 -9.533 17.407 1.00 33.25 C ATOM 321 CG1 VAL A 501 -7.860 -8.668 16.166 1.00 21.01 C ATOM 322 CG2 VAL A 501 -8.830 -10.552 17.502 1.00 64.45 C ATOM 0 H VAL A 501 -6.766 -10.779 19.386 1.00 53.33 H new ATOM 0 HA VAL A 501 -6.296 -10.935 16.567 1.00 3.01 H new ATOM 0 HB VAL A 501 -7.757 -8.884 18.281 1.00 33.25 H new ATOM 0 HG11 VAL A 501 -8.833 -8.177 16.185 1.00 21.01 H new ATOM 0 HG12 VAL A 501 -7.073 -7.914 16.147 1.00 21.01 H new ATOM 0 HG13 VAL A 501 -7.786 -9.292 15.276 1.00 21.01 H new ATOM 0 HG21 VAL A 501 -9.790 -10.035 17.501 1.00 64.45 H new ATOM 0 HG22 VAL A 501 -8.782 -11.228 16.649 1.00 64.45 H new ATOM 0 HG23 VAL A 501 -8.726 -11.124 18.424 1.00 64.45 H new ATOM 332 N ARG A 502 -4.742 -8.691 18.376 1.00 72.25 N ATOM 333 CA ARG A 502 -3.688 -7.684 18.364 1.00 70.23 C ATOM 334 C ARG A 502 -2.310 -8.340 18.356 1.00 51.43 C ATOM 335 O ARG A 502 -1.286 -7.657 18.313 1.00 13.42 O ATOM 336 CB ARG A 502 -3.819 -6.763 19.578 1.00 35.32 C ATOM 337 CG ARG A 502 -3.845 -7.505 20.905 1.00 53.32 C ATOM 338 CD ARG A 502 -3.532 -6.576 22.068 1.00 72.51 C ATOM 339 NE ARG A 502 -2.111 -6.580 22.404 1.00 60.11 N ATOM 340 CZ ARG A 502 -1.531 -5.650 23.155 1.00 61.52 C ATOM 341 NH1 ARG A 502 -2.247 -4.648 23.646 1.00 62.34 N ATOM 342 NH2 ARG A 502 -0.232 -5.723 23.417 1.00 51.44 N ATOM 0 H ARG A 502 -5.054 -8.964 19.308 1.00 72.25 H new ATOM 0 HA ARG A 502 -3.796 -7.092 17.455 1.00 70.23 H new ATOM 0 HB2 ARG A 502 -2.987 -6.059 19.581 1.00 35.32 H new ATOM 0 HB3 ARG A 502 -4.732 -6.176 19.481 1.00 35.32 H new ATOM 0 HG2 ARG A 502 -4.826 -7.956 21.052 1.00 53.32 H new ATOM 0 HG3 ARG A 502 -3.120 -8.319 20.883 1.00 53.32 H new ATOM 0 HD2 ARG A 502 -3.842 -5.562 21.816 1.00 72.51 H new ATOM 0 HD3 ARG A 502 -4.112 -6.879 22.940 1.00 72.51 H new ATOM 0 HE ARG A 502 -1.532 -7.338 22.042 1.00 60.11 H new ATOM 0 HH11 ARG A 502 -3.246 -4.590 23.448 1.00 62.34 H new ATOM 0 HH12 ARG A 502 -1.799 -3.935 24.222 1.00 62.34 H new ATOM 0 HH21 ARG A 502 0.321 -6.493 23.042 1.00 51.44 H new ATOM 0 HH22 ARG A 502 0.213 -5.009 23.994 1.00 51.44 H new ATOM 356 N HIS A 503 -2.292 -9.668 18.397 1.00 31.24 N ATOM 357 CA HIS A 503 -1.040 -10.416 18.395 1.00 60.21 C ATOM 358 C HIS A 503 -0.524 -10.608 16.972 1.00 52.52 C ATOM 359 O HIS A 503 0.595 -10.208 16.648 1.00 14.11 O ATOM 360 CB HIS A 503 -1.232 -11.776 19.067 1.00 14.12 C ATOM 361 CG HIS A 503 0.007 -12.299 19.726 1.00 72.22 C ATOM 362 ND1 HIS A 503 1.274 -11.861 19.402 1.00 15.33 N ATOM 363 CD2 HIS A 503 0.169 -13.229 20.696 1.00 15.23 C ATOM 364 CE1 HIS A 503 2.161 -12.499 20.144 1.00 31.21 C ATOM 365 NE2 HIS A 503 1.516 -13.335 20.938 1.00 1.21 N ATOM 0 H HIS A 503 -3.130 -10.248 18.432 1.00 31.24 H new ATOM 0 HA HIS A 503 -0.303 -9.842 18.957 1.00 60.21 H new ATOM 0 HB2 HIS A 503 -2.023 -11.695 19.812 1.00 14.12 H new ATOM 0 HB3 HIS A 503 -1.569 -12.496 18.321 1.00 14.12 H new ATOM 0 HD2 HIS A 503 -0.616 -13.784 21.188 1.00 15.23 H new ATOM 0 HE1 HIS A 503 3.232 -12.361 20.108 1.00 31.21 H new ATOM 0 HE2 HIS A 503 1.949 -13.958 21.620 1.00 1.21 H new ATOM 373 N ILE A 504 -1.346 -11.221 16.127 1.00 33.03 N ATOM 374 CA ILE A 504 -0.973 -11.465 14.740 1.00 43.54 C ATOM 375 C ILE A 504 -0.941 -10.165 13.943 1.00 52.24 C ATOM 376 O ILE A 504 -0.236 -10.056 12.939 1.00 33.12 O ATOM 377 CB ILE A 504 -1.944 -12.447 14.059 1.00 21.33 C ATOM 378 CG1 ILE A 504 -3.244 -11.734 13.681 1.00 21.34 C ATOM 379 CG2 ILE A 504 -2.228 -13.629 14.974 1.00 73.42 C ATOM 380 CD1 ILE A 504 -4.103 -11.373 14.873 1.00 52.13 C ATOM 0 H ILE A 504 -2.275 -11.558 16.379 1.00 33.03 H new ATOM 0 HA ILE A 504 0.024 -11.905 14.755 1.00 43.54 H new ATOM 0 HB ILE A 504 -1.479 -12.821 13.147 1.00 21.33 H new ATOM 0 HG12 ILE A 504 -3.004 -10.826 13.128 1.00 21.34 H new ATOM 0 HG13 ILE A 504 -3.818 -12.373 13.010 1.00 21.34 H new ATOM 0 HG21 ILE A 504 -2.916 -14.315 14.479 1.00 73.42 H new ATOM 0 HG22 ILE A 504 -1.296 -14.148 15.198 1.00 73.42 H new ATOM 0 HG23 ILE A 504 -2.676 -13.272 15.901 1.00 73.42 H new ATOM 0 HD11 ILE A 504 -5.008 -10.871 14.531 1.00 52.13 H new ATOM 0 HD12 ILE A 504 -4.374 -12.280 15.414 1.00 52.13 H new ATOM 0 HD13 ILE A 504 -3.547 -10.708 15.534 1.00 52.13 H new ATOM 392 N VAL A 505 -1.709 -9.179 14.397 1.00 20.52 N ATOM 393 CA VAL A 505 -1.767 -7.885 13.729 1.00 72.13 C ATOM 394 C VAL A 505 -0.564 -7.023 14.094 1.00 21.22 C ATOM 395 O VAL A 505 0.193 -6.594 13.224 1.00 30.43 O ATOM 396 CB VAL A 505 -3.058 -7.125 14.089 1.00 64.03 C ATOM 397 CG1 VAL A 505 -2.991 -5.691 13.586 1.00 63.02 C ATOM 398 CG2 VAL A 505 -4.273 -7.842 13.521 1.00 14.41 C ATOM 0 H VAL A 505 -2.300 -9.253 15.225 1.00 20.52 H new ATOM 0 HA VAL A 505 -1.757 -8.082 12.657 1.00 72.13 H new ATOM 0 HB VAL A 505 -3.154 -7.100 15.174 1.00 64.03 H new ATOM 0 HG11 VAL A 505 -3.911 -5.170 13.849 1.00 63.02 H new ATOM 0 HG12 VAL A 505 -2.142 -5.184 14.045 1.00 63.02 H new ATOM 0 HG13 VAL A 505 -2.871 -5.691 12.503 1.00 63.02 H new ATOM 0 HG21 VAL A 505 -5.176 -7.292 13.785 1.00 14.41 H new ATOM 0 HG22 VAL A 505 -4.187 -7.900 12.436 1.00 14.41 H new ATOM 0 HG23 VAL A 505 -4.328 -8.849 13.935 1.00 14.41 H new ATOM 408 N GLY A 506 -0.393 -6.773 15.389 1.00 71.21 N ATOM 409 CA GLY A 506 0.721 -5.964 15.848 1.00 54.45 C ATOM 410 C GLY A 506 2.063 -6.566 15.485 1.00 64.20 C ATOM 411 O GLY A 506 3.073 -5.864 15.435 1.00 30.42 O ATOM 0 H GLY A 506 -1.006 -7.116 16.128 1.00 71.21 H new ATOM 0 HA2 GLY A 506 0.645 -4.967 15.415 1.00 54.45 H new ATOM 0 HA3 GLY A 506 0.660 -5.847 16.930 1.00 54.45 H new ATOM 415 N ALA A 507 2.076 -7.871 15.233 1.00 50.14 N ATOM 416 CA ALA A 507 3.305 -8.568 14.873 1.00 53.54 C ATOM 417 C ALA A 507 3.736 -8.221 13.452 1.00 42.03 C ATOM 418 O ALA A 507 4.845 -7.733 13.231 1.00 22.15 O ATOM 419 CB ALA A 507 3.121 -10.071 15.019 1.00 43.12 C ATOM 0 H ALA A 507 1.249 -8.467 15.272 1.00 50.14 H new ATOM 0 HA ALA A 507 4.092 -8.242 15.553 1.00 53.54 H new ATOM 0 HB1 ALA A 507 4.046 -10.579 14.747 1.00 43.12 H new ATOM 0 HB2 ALA A 507 2.867 -10.308 16.052 1.00 43.12 H new ATOM 0 HB3 ALA A 507 2.317 -10.405 14.362 1.00 43.12 H new ATOM 425 N ILE A 508 2.854 -8.477 12.492 1.00 50.54 N ATOM 426 CA ILE A 508 3.145 -8.191 11.092 1.00 15.21 C ATOM 427 C ILE A 508 3.128 -6.690 10.823 1.00 62.05 C ATOM 428 O ILE A 508 3.815 -6.203 9.926 1.00 44.35 O ATOM 429 CB ILE A 508 2.135 -8.880 10.155 1.00 20.34 C ATOM 430 CG1 ILE A 508 0.721 -8.362 10.424 1.00 53.23 C ATOM 431 CG2 ILE A 508 2.194 -10.390 10.332 1.00 31.25 C ATOM 432 CD1 ILE A 508 0.331 -7.190 9.550 1.00 1.34 C ATOM 0 H ILE A 508 1.932 -8.882 12.657 1.00 50.54 H new ATOM 0 HA ILE A 508 4.142 -8.583 10.890 1.00 15.21 H new ATOM 0 HB ILE A 508 2.398 -8.644 9.124 1.00 20.34 H new ATOM 0 HG12 ILE A 508 0.010 -9.173 10.269 1.00 53.23 H new ATOM 0 HG13 ILE A 508 0.644 -8.066 11.470 1.00 53.23 H new ATOM 0 HG21 ILE A 508 1.475 -10.863 9.663 1.00 31.25 H new ATOM 0 HG22 ILE A 508 3.197 -10.745 10.096 1.00 31.25 H new ATOM 0 HG23 ILE A 508 1.952 -10.645 11.364 1.00 31.25 H new ATOM 0 HD11 ILE A 508 -0.683 -6.875 9.795 1.00 1.34 H new ATOM 0 HD12 ILE A 508 1.019 -6.363 9.722 1.00 1.34 H new ATOM 0 HD13 ILE A 508 0.376 -7.487 8.502 1.00 1.34 H new ATOM 444 N ALA A 509 2.340 -5.962 11.607 1.00 72.13 N ATOM 445 CA ALA A 509 2.237 -4.516 11.455 1.00 32.04 C ATOM 446 C ALA A 509 3.485 -3.818 11.985 1.00 61.40 C ATOM 447 O ALA A 509 3.814 -2.710 11.564 1.00 72.20 O ATOM 448 CB ALA A 509 0.997 -3.998 12.169 1.00 1.32 C ATOM 0 H ALA A 509 1.764 -6.350 12.354 1.00 72.13 H new ATOM 0 HA ALA A 509 2.151 -4.292 10.392 1.00 32.04 H new ATOM 0 HB1 ALA A 509 0.932 -2.917 12.048 1.00 1.32 H new ATOM 0 HB2 ALA A 509 0.109 -4.465 11.742 1.00 1.32 H new ATOM 0 HB3 ALA A 509 1.060 -4.241 13.230 1.00 1.32 H new ATOM 454 N ASN A 510 4.176 -4.475 12.911 1.00 2.33 N ATOM 455 CA ASN A 510 5.388 -3.916 13.500 1.00 62.05 C ATOM 456 C ASN A 510 6.630 -4.427 12.775 1.00 32.23 C ATOM 457 O ASN A 510 7.656 -3.750 12.729 1.00 10.33 O ATOM 458 CB ASN A 510 5.469 -4.270 14.986 1.00 72.42 C ATOM 459 CG ASN A 510 6.622 -3.576 15.684 1.00 41.21 C ATOM 460 OD1 ASN A 510 7.618 -4.207 16.040 1.00 54.24 O ATOM 461 ND2 ASN A 510 6.492 -2.269 15.884 1.00 62.44 N ATOM 0 H ASN A 510 3.918 -5.394 13.270 1.00 2.33 H new ATOM 0 HA ASN A 510 5.347 -2.832 13.394 1.00 62.05 H new ATOM 0 HB2 ASN A 510 4.534 -3.994 15.474 1.00 72.42 H new ATOM 0 HB3 ASN A 510 5.579 -5.349 15.094 1.00 72.42 H new ATOM 0 HD21 ASN A 510 7.235 -1.748 16.349 1.00 62.44 H new ATOM 0 HD22 ASN A 510 5.649 -1.787 15.572 1.00 62.44 H new ATOM 468 N GLU A 511 6.527 -5.626 12.211 1.00 64.44 N ATOM 469 CA GLU A 511 7.642 -6.228 11.489 1.00 45.12 C ATOM 470 C GLU A 511 7.978 -5.422 10.237 1.00 60.41 C ATOM 471 O GLU A 511 9.142 -5.127 9.969 1.00 12.32 O ATOM 472 CB GLU A 511 7.312 -7.672 11.106 1.00 54.10 C ATOM 473 CG GLU A 511 7.562 -8.670 12.224 1.00 74.43 C ATOM 474 CD GLU A 511 9.036 -8.849 12.527 1.00 65.51 C ATOM 475 OE1 GLU A 511 9.714 -9.573 11.767 1.00 20.23 O ATOM 476 OE2 GLU A 511 9.513 -8.267 13.523 1.00 10.31 O ATOM 0 H GLU A 511 5.684 -6.199 12.240 1.00 64.44 H new ATOM 0 HA GLU A 511 8.511 -6.225 12.147 1.00 45.12 H new ATOM 0 HB2 GLU A 511 6.266 -7.729 10.806 1.00 54.10 H new ATOM 0 HB3 GLU A 511 7.908 -7.954 10.238 1.00 54.10 H new ATOM 0 HG2 GLU A 511 7.048 -8.337 13.125 1.00 74.43 H new ATOM 0 HG3 GLU A 511 7.132 -9.633 11.949 1.00 74.43 H new ATOM 483 N GLY A 512 6.948 -5.071 9.473 1.00 43.04 N ATOM 484 CA GLY A 512 7.154 -4.304 8.258 1.00 52.02 C ATOM 485 C GLY A 512 6.507 -2.934 8.321 1.00 63.44 C ATOM 486 O GLY A 512 6.455 -2.313 9.382 1.00 31.33 O ATOM 0 H GLY A 512 5.975 -5.304 9.673 1.00 43.04 H new ATOM 0 HA2 GLY A 512 8.223 -4.190 8.081 1.00 52.02 H new ATOM 0 HA3 GLY A 512 6.748 -4.856 7.410 1.00 52.02 H new ATOM 490 N ASP A 513 6.015 -2.461 7.181 1.00 63.51 N ATOM 491 CA ASP A 513 5.370 -1.156 7.110 1.00 14.22 C ATOM 492 C ASP A 513 3.863 -1.283 7.310 1.00 74.45 C ATOM 493 O ASP A 513 3.171 -0.291 7.537 1.00 13.45 O ATOM 494 CB ASP A 513 5.664 -0.490 5.765 1.00 0.32 C ATOM 495 CG ASP A 513 6.934 0.338 5.795 1.00 71.02 C ATOM 496 OD1 ASP A 513 7.236 0.997 4.778 1.00 21.40 O ATOM 497 OD2 ASP A 513 7.626 0.326 6.834 1.00 1.34 O ATOM 0 H ASP A 513 6.051 -2.962 6.293 1.00 63.51 H new ATOM 0 HA ASP A 513 5.774 -0.535 7.910 1.00 14.22 H new ATOM 0 HB2 ASP A 513 5.751 -1.256 4.995 1.00 0.32 H new ATOM 0 HB3 ASP A 513 4.825 0.147 5.487 1.00 0.32 H new ATOM 502 N ILE A 514 3.361 -2.511 7.221 1.00 1.31 N ATOM 503 CA ILE A 514 1.936 -2.767 7.392 1.00 64.32 C ATOM 504 C ILE A 514 1.414 -2.136 8.678 1.00 25.32 C ATOM 505 O ILE A 514 2.109 -2.108 9.694 1.00 41.30 O ATOM 506 CB ILE A 514 1.635 -4.278 7.415 1.00 3.52 C ATOM 507 CG1 ILE A 514 2.097 -4.932 6.112 1.00 63.14 C ATOM 508 CG2 ILE A 514 0.150 -4.518 7.637 1.00 14.04 C ATOM 509 CD1 ILE A 514 2.404 -6.407 6.252 1.00 42.34 C ATOM 0 H ILE A 514 3.920 -3.343 7.032 1.00 1.31 H new ATOM 0 HA ILE A 514 1.430 -2.316 6.538 1.00 64.32 H new ATOM 0 HB ILE A 514 2.184 -4.731 8.241 1.00 3.52 H new ATOM 0 HG12 ILE A 514 1.324 -4.800 5.355 1.00 63.14 H new ATOM 0 HG13 ILE A 514 2.987 -4.416 5.752 1.00 63.14 H new ATOM 0 HG21 ILE A 514 -0.047 -5.590 7.651 1.00 14.04 H new ATOM 0 HG22 ILE A 514 -0.151 -4.081 8.589 1.00 14.04 H new ATOM 0 HG23 ILE A 514 -0.418 -4.055 6.830 1.00 14.04 H new ATOM 0 HD11 ILE A 514 2.726 -6.805 5.289 1.00 42.34 H new ATOM 0 HD12 ILE A 514 3.198 -6.545 6.985 1.00 42.34 H new ATOM 0 HD13 ILE A 514 1.509 -6.935 6.582 1.00 42.34 H new ATOM 521 N SER A 515 0.185 -1.633 8.627 1.00 3.25 N ATOM 522 CA SER A 515 -0.430 -1.000 9.788 1.00 30.23 C ATOM 523 C SER A 515 -1.646 -1.793 10.258 1.00 22.04 C ATOM 524 O SER A 515 -2.092 -2.722 9.586 1.00 74.40 O ATOM 525 CB SER A 515 -0.841 0.435 9.455 1.00 2.42 C ATOM 526 OG SER A 515 -0.780 1.263 10.604 1.00 32.20 O ATOM 0 H SER A 515 -0.404 -1.651 7.795 1.00 3.25 H new ATOM 0 HA SER A 515 0.305 -0.982 10.593 1.00 30.23 H new ATOM 0 HB2 SER A 515 -0.186 0.834 8.680 1.00 2.42 H new ATOM 0 HB3 SER A 515 -1.853 0.442 9.051 1.00 2.42 H new ATOM 0 HG SER A 515 -1.046 2.175 10.364 1.00 32.20 H new ATOM 532 N SER A 516 -2.176 -1.419 11.418 1.00 13.51 N ATOM 533 CA SER A 516 -3.338 -2.096 11.982 1.00 71.24 C ATOM 534 C SER A 516 -4.572 -1.873 11.112 1.00 2.12 C ATOM 535 O SER A 516 -5.529 -2.646 11.163 1.00 4.11 O ATOM 536 CB SER A 516 -3.605 -1.599 13.403 1.00 13.44 C ATOM 537 OG SER A 516 -4.472 -2.479 14.098 1.00 63.35 O ATOM 0 H SER A 516 -1.819 -0.651 11.986 1.00 13.51 H new ATOM 0 HA SER A 516 -3.125 -3.165 12.013 1.00 71.24 H new ATOM 0 HB2 SER A 516 -2.663 -1.510 13.943 1.00 13.44 H new ATOM 0 HB3 SER A 516 -4.046 -0.603 13.366 1.00 13.44 H new ATOM 0 HG SER A 516 -4.625 -2.139 15.004 1.00 63.35 H new ATOM 543 N ARG A 517 -4.541 -0.810 10.315 1.00 75.12 N ATOM 544 CA ARG A 517 -5.657 -0.483 9.435 1.00 61.23 C ATOM 545 C ARG A 517 -5.417 -1.025 8.029 1.00 61.14 C ATOM 546 O ARG A 517 -6.348 -1.466 7.355 1.00 53.01 O ATOM 547 CB ARG A 517 -5.865 1.031 9.381 1.00 44.44 C ATOM 548 CG ARG A 517 -4.604 1.807 9.034 1.00 12.03 C ATOM 549 CD ARG A 517 -4.885 3.295 8.900 1.00 53.50 C ATOM 550 NE ARG A 517 -3.743 4.107 9.311 1.00 11.51 N ATOM 551 CZ ARG A 517 -2.598 4.159 8.640 1.00 70.52 C ATOM 552 NH1 ARG A 517 -2.444 3.449 7.531 1.00 62.43 N ATOM 553 NH2 ARG A 517 -1.604 4.921 9.077 1.00 14.35 N ATOM 0 H ARG A 517 -3.756 -0.161 10.260 1.00 75.12 H new ATOM 0 HA ARG A 517 -6.555 -0.952 9.838 1.00 61.23 H new ATOM 0 HB2 ARG A 517 -6.635 1.257 8.644 1.00 44.44 H new ATOM 0 HB3 ARG A 517 -6.238 1.373 10.347 1.00 44.44 H new ATOM 0 HG2 ARG A 517 -3.852 1.646 9.806 1.00 12.03 H new ATOM 0 HG3 ARG A 517 -4.188 1.429 8.100 1.00 12.03 H new ATOM 0 HD2 ARG A 517 -5.139 3.524 7.865 1.00 53.50 H new ATOM 0 HD3 ARG A 517 -5.752 3.556 9.506 1.00 53.50 H new ATOM 0 HE ARG A 517 -3.829 4.665 10.160 1.00 11.51 H new ATOM 0 HH11 ARG A 517 -3.206 2.861 7.192 1.00 62.43 H new ATOM 0 HH12 ARG A 517 -1.564 3.490 7.017 1.00 62.43 H new ATOM 0 HH21 ARG A 517 -1.718 5.469 9.930 1.00 14.35 H new ATOM 0 HH22 ARG A 517 -0.726 4.959 8.560 1.00 14.35 H new ATOM 567 N TYR A 518 -4.163 -0.988 7.592 1.00 22.23 N ATOM 568 CA TYR A 518 -3.801 -1.473 6.266 1.00 43.55 C ATOM 569 C TYR A 518 -4.255 -2.916 6.070 1.00 44.22 C ATOM 570 O TYR A 518 -4.702 -3.296 4.987 1.00 15.25 O ATOM 571 CB TYR A 518 -2.289 -1.369 6.057 1.00 41.11 C ATOM 572 CG TYR A 518 -1.901 -0.629 4.796 1.00 22.54 C ATOM 573 CD1 TYR A 518 -1.011 -1.188 3.886 1.00 15.43 C ATOM 574 CD2 TYR A 518 -2.422 0.627 4.516 1.00 54.30 C ATOM 575 CE1 TYR A 518 -0.653 -0.516 2.734 1.00 54.54 C ATOM 576 CE2 TYR A 518 -2.071 1.306 3.365 1.00 32.12 C ATOM 577 CZ TYR A 518 -1.186 0.731 2.477 1.00 32.43 C ATOM 578 OH TYR A 518 -0.833 1.404 1.331 1.00 43.05 O ATOM 0 H TYR A 518 -3.380 -0.627 8.137 1.00 22.23 H new ATOM 0 HA TYR A 518 -4.307 -0.849 5.529 1.00 43.55 H new ATOM 0 HB2 TYR A 518 -1.846 -0.864 6.915 1.00 41.11 H new ATOM 0 HB3 TYR A 518 -1.865 -2.373 6.024 1.00 41.11 H new ATOM 0 HD1 TYR A 518 -0.593 -2.164 4.083 1.00 15.43 H new ATOM 0 HD2 TYR A 518 -3.114 1.081 5.210 1.00 54.30 H new ATOM 0 HE1 TYR A 518 0.040 -0.964 2.038 1.00 54.54 H new ATOM 0 HE2 TYR A 518 -2.487 2.282 3.162 1.00 32.12 H new ATOM 0 HH TYR A 518 -1.298 2.266 1.302 1.00 43.05 H new ATOM 588 N ILE A 519 -4.136 -3.715 7.125 1.00 41.41 N ATOM 589 CA ILE A 519 -4.535 -5.115 7.071 1.00 73.43 C ATOM 590 C ILE A 519 -6.003 -5.254 6.681 1.00 11.11 C ATOM 591 O ILE A 519 -6.837 -4.434 7.062 1.00 53.32 O ATOM 592 CB ILE A 519 -4.306 -5.819 8.421 1.00 3.13 C ATOM 593 CG1 ILE A 519 -2.829 -5.743 8.816 1.00 15.13 C ATOM 594 CG2 ILE A 519 -4.766 -7.267 8.349 1.00 34.12 C ATOM 595 CD1 ILE A 519 -2.611 -5.489 10.291 1.00 20.35 C ATOM 0 H ILE A 519 -3.766 -3.416 8.027 1.00 41.41 H new ATOM 0 HA ILE A 519 -3.913 -5.590 6.313 1.00 73.43 H new ATOM 0 HB ILE A 519 -4.894 -5.309 9.184 1.00 3.13 H new ATOM 0 HG12 ILE A 519 -2.339 -6.677 8.540 1.00 15.13 H new ATOM 0 HG13 ILE A 519 -2.348 -4.949 8.244 1.00 15.13 H new ATOM 0 HG21 ILE A 519 -4.597 -7.751 9.311 1.00 34.12 H new ATOM 0 HG22 ILE A 519 -5.828 -7.300 8.108 1.00 34.12 H new ATOM 0 HG23 ILE A 519 -4.202 -7.790 7.576 1.00 34.12 H new ATOM 0 HD11 ILE A 519 -1.542 -5.447 10.499 1.00 20.35 H new ATOM 0 HD12 ILE A 519 -3.072 -4.541 10.569 1.00 20.35 H new ATOM 0 HD13 ILE A 519 -3.062 -6.295 10.870 1.00 20.35 H new ATOM 607 N GLY A 520 -6.312 -6.300 5.920 1.00 2.32 N ATOM 608 CA GLY A 520 -7.680 -6.528 5.493 1.00 62.11 C ATOM 609 C GLY A 520 -8.556 -7.057 6.611 1.00 22.02 C ATOM 610 O GLY A 520 -8.706 -6.413 7.648 1.00 2.15 O ATOM 0 H GLY A 520 -5.639 -6.993 5.592 1.00 2.32 H new ATOM 0 HA2 GLY A 520 -8.100 -5.595 5.117 1.00 62.11 H new ATOM 0 HA3 GLY A 520 -7.686 -7.237 4.665 1.00 62.11 H new ATOM 614 N ASN A 521 -9.137 -8.233 6.399 1.00 34.23 N ATOM 615 CA ASN A 521 -10.005 -8.847 7.397 1.00 35.44 C ATOM 616 C ASN A 521 -9.220 -9.809 8.284 1.00 42.01 C ATOM 617 O ASN A 521 -8.535 -10.706 7.790 1.00 14.40 O ATOM 618 CB ASN A 521 -11.156 -9.590 6.715 1.00 13.32 C ATOM 619 CG ASN A 521 -11.984 -8.681 5.827 1.00 73.41 C ATOM 620 OD1 ASN A 521 -11.643 -8.449 4.667 1.00 24.12 O ATOM 621 ND2 ASN A 521 -13.080 -8.162 6.369 1.00 22.30 N ATOM 0 H ASN A 521 -9.023 -8.780 5.546 1.00 34.23 H new ATOM 0 HA ASN A 521 -10.413 -8.054 8.023 1.00 35.44 H new ATOM 0 HB2 ASN A 521 -10.754 -10.409 6.118 1.00 13.32 H new ATOM 0 HB3 ASN A 521 -11.799 -10.035 7.475 1.00 13.32 H new ATOM 0 HD21 ASN A 521 -13.677 -7.544 5.820 1.00 22.30 H new ATOM 0 HD22 ASN A 521 -13.325 -8.382 7.335 1.00 22.30 H new ATOM 628 N ILE A 522 -9.324 -9.616 9.594 1.00 31.03 N ATOM 629 CA ILE A 522 -8.625 -10.467 10.549 1.00 10.13 C ATOM 630 C ILE A 522 -9.607 -11.178 11.474 1.00 73.12 C ATOM 631 O ILE A 522 -10.533 -10.564 12.005 1.00 71.31 O ATOM 632 CB ILE A 522 -7.630 -9.657 11.401 1.00 24.42 C ATOM 633 CG1 ILE A 522 -6.776 -8.755 10.508 1.00 62.42 C ATOM 634 CG2 ILE A 522 -6.748 -10.592 12.217 1.00 53.34 C ATOM 635 CD1 ILE A 522 -7.131 -7.289 10.614 1.00 52.11 C ATOM 0 H ILE A 522 -9.886 -8.878 10.019 1.00 31.03 H new ATOM 0 HA ILE A 522 -8.075 -11.208 9.968 1.00 10.13 H new ATOM 0 HB ILE A 522 -8.193 -9.027 12.089 1.00 24.42 H new ATOM 0 HG12 ILE A 522 -5.726 -8.886 10.771 1.00 62.42 H new ATOM 0 HG13 ILE A 522 -6.887 -9.073 9.471 1.00 62.42 H new ATOM 0 HG21 ILE A 522 -6.050 -10.005 12.814 1.00 53.34 H new ATOM 0 HG22 ILE A 522 -7.371 -11.196 12.877 1.00 53.34 H new ATOM 0 HG23 ILE A 522 -6.191 -11.245 11.545 1.00 53.34 H new ATOM 0 HD11 ILE A 522 -6.486 -6.710 9.954 1.00 52.11 H new ATOM 0 HD12 ILE A 522 -8.171 -7.145 10.323 1.00 52.11 H new ATOM 0 HD13 ILE A 522 -6.992 -6.954 11.642 1.00 52.11 H new ATOM 647 N LYS A 523 -9.399 -12.476 11.664 1.00 65.44 N ATOM 648 CA LYS A 523 -10.263 -13.273 12.527 1.00 42.33 C ATOM 649 C LYS A 523 -9.469 -13.885 13.676 1.00 23.20 C ATOM 650 O LYS A 523 -8.258 -14.083 13.571 1.00 25.31 O ATOM 651 CB LYS A 523 -10.946 -14.378 11.719 1.00 71.33 C ATOM 652 CG LYS A 523 -12.224 -14.897 12.356 1.00 4.42 C ATOM 653 CD LYS A 523 -12.808 -16.058 11.570 1.00 65.40 C ATOM 654 CE LYS A 523 -13.399 -15.595 10.248 1.00 55.03 C ATOM 655 NZ LYS A 523 -13.723 -16.741 9.353 1.00 10.41 N ATOM 0 H LYS A 523 -8.638 -13.000 11.231 1.00 65.44 H new ATOM 0 HA LYS A 523 -11.024 -12.614 12.945 1.00 42.33 H new ATOM 0 HB2 LYS A 523 -11.174 -14.000 10.723 1.00 71.33 H new ATOM 0 HB3 LYS A 523 -10.250 -15.207 11.593 1.00 71.33 H new ATOM 0 HG2 LYS A 523 -12.019 -15.215 13.378 1.00 4.42 H new ATOM 0 HG3 LYS A 523 -12.956 -14.091 12.414 1.00 4.42 H new ATOM 0 HD2 LYS A 523 -12.031 -16.799 11.383 1.00 65.40 H new ATOM 0 HD3 LYS A 523 -13.580 -16.548 12.163 1.00 65.40 H new ATOM 0 HE2 LYS A 523 -14.303 -15.015 10.437 1.00 55.03 H new ATOM 0 HE3 LYS A 523 -12.694 -14.932 9.748 1.00 55.03 H new ATOM 0 HZ1 LYS A 523 -14.124 -16.383 8.462 1.00 10.41 H new ATOM 0 HZ2 LYS A 523 -12.857 -17.280 9.151 1.00 10.41 H new ATOM 0 HZ3 LYS A 523 -14.415 -17.361 9.820 1.00 10.41 H new ATOM 669 N LEU A 524 -10.158 -14.185 14.772 1.00 42.44 N ATOM 670 CA LEU A 524 -9.517 -14.777 15.941 1.00 42.43 C ATOM 671 C LEU A 524 -10.444 -15.778 16.621 1.00 32.43 C ATOM 672 O LEU A 524 -11.257 -15.411 17.469 1.00 14.43 O ATOM 673 CB LEU A 524 -9.111 -13.685 16.932 1.00 12.31 C ATOM 674 CG LEU A 524 -8.116 -14.099 18.016 1.00 3.24 C ATOM 675 CD1 LEU A 524 -8.788 -14.996 19.044 1.00 13.42 C ATOM 676 CD2 LEU A 524 -6.915 -14.800 17.398 1.00 21.13 C ATOM 0 H LEU A 524 -11.161 -14.028 14.875 1.00 42.44 H new ATOM 0 HA LEU A 524 -8.624 -15.306 15.607 1.00 42.43 H new ATOM 0 HB2 LEU A 524 -8.682 -12.855 16.371 1.00 12.31 H new ATOM 0 HB3 LEU A 524 -10.012 -13.310 17.418 1.00 12.31 H new ATOM 0 HG LEU A 524 -7.766 -13.200 18.523 1.00 3.24 H new ATOM 0 HD11 LEU A 524 -8.064 -15.280 19.807 1.00 13.42 H new ATOM 0 HD12 LEU A 524 -9.615 -14.460 19.510 1.00 13.42 H new ATOM 0 HD13 LEU A 524 -9.168 -15.892 18.552 1.00 13.42 H new ATOM 0 HD21 LEU A 524 -6.217 -15.088 18.184 1.00 21.13 H new ATOM 0 HD22 LEU A 524 -7.248 -15.691 16.865 1.00 21.13 H new ATOM 0 HD23 LEU A 524 -6.418 -14.125 16.701 1.00 21.13 H new ATOM 688 N PHE A 525 -10.315 -17.046 16.246 1.00 62.54 N ATOM 689 CA PHE A 525 -11.140 -18.102 16.821 1.00 73.25 C ATOM 690 C PHE A 525 -10.443 -18.749 18.014 1.00 51.40 C ATOM 691 O PHE A 525 -9.453 -18.226 18.526 1.00 72.53 O ATOM 692 CB PHE A 525 -11.457 -19.163 15.765 1.00 72.25 C ATOM 693 CG PHE A 525 -12.918 -19.502 15.675 1.00 63.21 C ATOM 694 CD1 PHE A 525 -13.354 -20.802 15.873 1.00 61.44 C ATOM 695 CD2 PHE A 525 -13.854 -18.521 15.393 1.00 13.25 C ATOM 696 CE1 PHE A 525 -14.697 -21.117 15.790 1.00 71.12 C ATOM 697 CE2 PHE A 525 -15.199 -18.829 15.310 1.00 70.41 C ATOM 698 CZ PHE A 525 -15.621 -20.129 15.509 1.00 21.24 C ATOM 0 H PHE A 525 -9.647 -17.368 15.546 1.00 62.54 H new ATOM 0 HA PHE A 525 -12.071 -17.653 17.166 1.00 73.25 H new ATOM 0 HB2 PHE A 525 -11.114 -18.810 14.793 1.00 72.25 H new ATOM 0 HB3 PHE A 525 -10.895 -20.069 15.992 1.00 72.25 H new ATOM 0 HD1 PHE A 525 -12.636 -21.578 16.095 1.00 61.44 H new ATOM 0 HD2 PHE A 525 -13.529 -17.503 15.236 1.00 13.25 H new ATOM 0 HE1 PHE A 525 -15.024 -22.135 15.945 1.00 71.12 H new ATOM 0 HE2 PHE A 525 -15.919 -18.054 15.090 1.00 70.41 H new ATOM 0 HZ PHE A 525 -16.671 -20.373 15.445 1.00 21.24 H new ATOM 708 N ALA A 526 -10.968 -19.888 18.452 1.00 31.23 N ATOM 709 CA ALA A 526 -10.396 -20.607 19.584 1.00 73.21 C ATOM 710 C ALA A 526 -9.024 -21.174 19.238 1.00 44.25 C ATOM 711 O ALA A 526 -8.091 -21.100 20.038 1.00 51.14 O ATOM 712 CB ALA A 526 -11.332 -21.721 20.029 1.00 73.32 C ATOM 0 H ALA A 526 -11.788 -20.333 18.040 1.00 31.23 H new ATOM 0 HA ALA A 526 -10.272 -19.901 20.405 1.00 73.21 H new ATOM 0 HB1 ALA A 526 -10.892 -22.250 20.875 1.00 73.32 H new ATOM 0 HB2 ALA A 526 -12.290 -21.294 20.326 1.00 73.32 H new ATOM 0 HB3 ALA A 526 -11.485 -22.418 19.205 1.00 73.32 H new ATOM 718 N SER A 527 -8.907 -21.740 18.041 1.00 71.13 N ATOM 719 CA SER A 527 -7.649 -22.324 17.590 1.00 1.43 C ATOM 720 C SER A 527 -7.386 -21.984 16.126 1.00 2.04 C ATOM 721 O SER A 527 -6.801 -22.778 15.388 1.00 1.43 O ATOM 722 CB SER A 527 -7.670 -23.842 17.778 1.00 55.25 C ATOM 723 OG SER A 527 -7.847 -24.185 19.141 1.00 24.11 O ATOM 0 H SER A 527 -9.669 -21.807 17.366 1.00 71.13 H new ATOM 0 HA SER A 527 -6.845 -21.902 18.193 1.00 1.43 H new ATOM 0 HB2 SER A 527 -8.475 -24.274 17.184 1.00 55.25 H new ATOM 0 HB3 SER A 527 -6.737 -24.270 17.410 1.00 55.25 H new ATOM 0 HG SER A 527 -7.859 -25.161 19.234 1.00 24.11 H new ATOM 729 N HIS A 528 -7.822 -20.798 15.713 1.00 72.53 N ATOM 730 CA HIS A 528 -7.634 -20.352 14.337 1.00 40.00 C ATOM 731 C HIS A 528 -7.650 -18.829 14.253 1.00 12.31 C ATOM 732 O HIS A 528 -8.099 -18.151 15.178 1.00 73.24 O ATOM 733 CB HIS A 528 -8.722 -20.936 13.436 1.00 55.43 C ATOM 734 CG HIS A 528 -8.514 -22.381 13.103 1.00 4.11 C ATOM 735 ND1 HIS A 528 -7.693 -22.807 12.080 1.00 52.21 N ATOM 736 CD2 HIS A 528 -9.023 -23.501 13.666 1.00 23.54 C ATOM 737 CE1 HIS A 528 -7.708 -24.127 12.027 1.00 51.30 C ATOM 738 NE2 HIS A 528 -8.507 -24.573 12.979 1.00 0.15 N ATOM 0 H HIS A 528 -8.307 -20.129 16.311 1.00 72.53 H new ATOM 0 HA HIS A 528 -6.662 -20.707 13.996 1.00 40.00 H new ATOM 0 HB2 HIS A 528 -9.689 -20.820 13.926 1.00 55.43 H new ATOM 0 HB3 HIS A 528 -8.763 -20.361 12.511 1.00 55.43 H new ATOM 0 HD1 HIS A 528 -7.158 -22.198 11.461 1.00 52.21 H new ATOM 0 HD2 HIS A 528 -9.708 -23.544 14.500 1.00 23.54 H new ATOM 0 HE1 HIS A 528 -7.160 -24.737 11.325 1.00 51.30 H new ATOM 746 N SER A 529 -7.157 -18.297 13.139 1.00 4.24 N ATOM 747 CA SER A 529 -7.110 -16.853 12.937 1.00 32.40 C ATOM 748 C SER A 529 -6.797 -16.519 11.482 1.00 53.22 C ATOM 749 O SER A 529 -5.871 -17.073 10.890 1.00 65.04 O ATOM 750 CB SER A 529 -6.061 -16.222 13.854 1.00 32.03 C ATOM 751 OG SER A 529 -5.116 -17.185 14.287 1.00 70.10 O ATOM 0 H SER A 529 -6.785 -18.844 12.363 1.00 4.24 H new ATOM 0 HA SER A 529 -8.090 -16.444 13.183 1.00 32.40 H new ATOM 0 HB2 SER A 529 -5.549 -15.417 13.326 1.00 32.03 H new ATOM 0 HB3 SER A 529 -6.551 -15.775 14.719 1.00 32.03 H new ATOM 0 HG SER A 529 -5.438 -17.613 15.108 1.00 70.10 H new ATOM 757 N THR A 530 -7.578 -15.607 10.910 1.00 63.03 N ATOM 758 CA THR A 530 -7.386 -15.198 9.524 1.00 32.10 C ATOM 759 C THR A 530 -6.789 -13.798 9.441 1.00 24.24 C ATOM 760 O THR A 530 -6.782 -13.057 10.425 1.00 70.12 O ATOM 761 CB THR A 530 -8.713 -15.225 8.742 1.00 10.40 C ATOM 762 OG1 THR A 530 -9.528 -14.110 9.121 1.00 4.34 O ATOM 763 CG2 THR A 530 -9.467 -16.521 8.999 1.00 1.40 C ATOM 0 H THR A 530 -8.349 -15.138 11.385 1.00 63.03 H new ATOM 0 HA THR A 530 -6.694 -15.912 9.077 1.00 32.10 H new ATOM 0 HB THR A 530 -8.483 -15.162 7.678 1.00 10.40 H new ATOM 0 HG1 THR A 530 -10.369 -14.134 8.618 1.00 4.34 H new ATOM 0 HG21 THR A 530 -10.400 -16.517 8.436 1.00 1.40 H new ATOM 0 HG22 THR A 530 -8.856 -17.366 8.682 1.00 1.40 H new ATOM 0 HG23 THR A 530 -9.685 -16.610 10.063 1.00 1.40 H new ATOM 771 N ILE A 531 -6.288 -13.442 8.263 1.00 34.01 N ATOM 772 CA ILE A 531 -5.690 -12.130 8.053 1.00 54.51 C ATOM 773 C ILE A 531 -5.329 -11.918 6.586 1.00 33.44 C ATOM 774 O ILE A 531 -4.905 -12.849 5.902 1.00 54.22 O ATOM 775 CB ILE A 531 -4.427 -11.942 8.913 1.00 23.31 C ATOM 776 CG1 ILE A 531 -3.789 -10.580 8.632 1.00 14.15 C ATOM 777 CG2 ILE A 531 -3.433 -13.063 8.646 1.00 71.04 C ATOM 778 CD1 ILE A 531 -2.938 -10.065 9.772 1.00 51.12 C ATOM 0 H ILE A 531 -6.284 -14.044 7.440 1.00 34.01 H new ATOM 0 HA ILE A 531 -6.435 -11.393 8.351 1.00 54.51 H new ATOM 0 HB ILE A 531 -4.713 -11.978 9.964 1.00 23.31 H new ATOM 0 HG12 ILE A 531 -3.174 -10.654 7.735 1.00 14.15 H new ATOM 0 HG13 ILE A 531 -4.576 -9.856 8.421 1.00 14.15 H new ATOM 0 HG21 ILE A 531 -2.545 -12.916 9.261 1.00 71.04 H new ATOM 0 HG22 ILE A 531 -3.891 -14.021 8.892 1.00 71.04 H new ATOM 0 HG23 ILE A 531 -3.150 -13.055 7.593 1.00 71.04 H new ATOM 0 HD11 ILE A 531 -2.518 -9.096 9.503 1.00 51.12 H new ATOM 0 HD12 ILE A 531 -3.553 -9.959 10.666 1.00 51.12 H new ATOM 0 HD13 ILE A 531 -2.130 -10.769 9.969 1.00 51.12 H new ATOM 790 N GLU A 532 -5.499 -10.688 6.112 1.00 71.31 N ATOM 791 CA GLU A 532 -5.190 -10.355 4.726 1.00 22.34 C ATOM 792 C GLU A 532 -4.174 -9.219 4.654 1.00 64.24 C ATOM 793 O GLU A 532 -4.363 -8.162 5.257 1.00 41.03 O ATOM 794 CB GLU A 532 -6.464 -9.963 3.976 1.00 13.01 C ATOM 795 CG GLU A 532 -6.268 -9.817 2.477 1.00 65.45 C ATOM 796 CD GLU A 532 -7.520 -10.149 1.689 1.00 52.52 C ATOM 797 OE1 GLU A 532 -7.464 -11.064 0.842 1.00 74.13 O ATOM 798 OE2 GLU A 532 -8.557 -9.492 1.920 1.00 2.55 O ATOM 0 H GLU A 532 -5.849 -9.906 6.666 1.00 71.31 H new ATOM 0 HA GLU A 532 -4.757 -11.237 4.255 1.00 22.34 H new ATOM 0 HB2 GLU A 532 -7.231 -10.715 4.162 1.00 13.01 H new ATOM 0 HB3 GLU A 532 -6.837 -9.021 4.378 1.00 13.01 H new ATOM 0 HG2 GLU A 532 -5.962 -8.795 2.252 1.00 65.45 H new ATOM 0 HG3 GLU A 532 -5.457 -10.470 2.155 1.00 65.45 H new ATOM 805 N LEU A 533 -3.095 -9.445 3.912 1.00 21.00 N ATOM 806 CA LEU A 533 -2.047 -8.441 3.760 1.00 72.32 C ATOM 807 C LEU A 533 -1.995 -7.921 2.327 1.00 72.32 C ATOM 808 O LEU A 533 -2.048 -8.684 1.361 1.00 2.45 O ATOM 809 CB LEU A 533 -0.690 -9.029 4.151 1.00 50.02 C ATOM 810 CG LEU A 533 -0.135 -8.591 5.507 1.00 64.45 C ATOM 811 CD1 LEU A 533 -1.162 -8.821 6.604 1.00 72.32 C ATOM 812 CD2 LEU A 533 1.157 -9.334 5.819 1.00 53.44 C ATOM 0 H LEU A 533 -2.923 -10.314 3.406 1.00 21.00 H new ATOM 0 HA LEU A 533 -2.279 -7.606 4.422 1.00 72.32 H new ATOM 0 HB2 LEU A 533 -0.773 -10.116 4.149 1.00 50.02 H new ATOM 0 HB3 LEU A 533 0.034 -8.763 3.381 1.00 50.02 H new ATOM 0 HG LEU A 533 0.084 -7.524 5.461 1.00 64.45 H new ATOM 0 HD11 LEU A 533 -0.749 -8.503 7.561 1.00 72.32 H new ATOM 0 HD12 LEU A 533 -2.061 -8.244 6.387 1.00 72.32 H new ATOM 0 HD13 LEU A 533 -1.413 -9.881 6.651 1.00 72.32 H new ATOM 0 HD21 LEU A 533 1.538 -9.010 6.787 1.00 53.44 H new ATOM 0 HD22 LEU A 533 0.963 -10.406 5.846 1.00 53.44 H new ATOM 0 HD23 LEU A 533 1.896 -9.118 5.048 1.00 53.44 H new ATOM 824 N PRO A 534 -1.887 -6.592 2.183 1.00 72.10 N ATOM 825 CA PRO A 534 -1.823 -5.941 0.871 1.00 3.44 C ATOM 826 C PRO A 534 -0.511 -6.224 0.147 1.00 11.02 C ATOM 827 O PRO A 534 -0.333 -5.841 -1.009 1.00 60.24 O ATOM 828 CB PRO A 534 -1.936 -4.452 1.209 1.00 53.10 C ATOM 829 CG PRO A 534 -1.432 -4.341 2.606 1.00 0.33 C ATOM 830 CD PRO A 534 -1.819 -5.623 3.290 1.00 73.04 C ATOM 0 HA PRO A 534 -2.602 -6.301 0.199 1.00 3.44 H new ATOM 0 HB2 PRO A 534 -1.343 -3.845 0.525 1.00 53.10 H new ATOM 0 HB3 PRO A 534 -2.967 -4.106 1.131 1.00 53.10 H new ATOM 0 HG2 PRO A 534 -0.351 -4.202 2.621 1.00 0.33 H new ATOM 0 HG3 PRO A 534 -1.871 -3.481 3.112 1.00 0.33 H new ATOM 0 HD2 PRO A 534 -1.083 -5.918 4.038 1.00 73.04 H new ATOM 0 HD3 PRO A 534 -2.776 -5.532 3.804 1.00 73.04 H new ATOM 838 N LYS A 535 0.405 -6.897 0.834 1.00 22.53 N ATOM 839 CA LYS A 535 1.701 -7.234 0.257 1.00 71.53 C ATOM 840 C LYS A 535 1.541 -7.769 -1.163 1.00 42.41 C ATOM 841 O LYS A 535 0.576 -8.467 -1.469 1.00 31.30 O ATOM 842 CB LYS A 535 2.416 -8.272 1.126 1.00 54.32 C ATOM 843 CG LYS A 535 2.675 -7.800 2.546 1.00 23.11 C ATOM 844 CD LYS A 535 3.583 -6.582 2.572 1.00 50.21 C ATOM 845 CE LYS A 535 4.947 -6.890 1.974 1.00 21.42 C ATOM 846 NZ LYS A 535 5.623 -8.012 2.684 1.00 51.41 N ATOM 0 H LYS A 535 0.274 -7.220 1.792 1.00 22.53 H new ATOM 0 HA LYS A 535 2.301 -6.325 0.220 1.00 71.53 H new ATOM 0 HB2 LYS A 535 1.817 -9.182 1.158 1.00 54.32 H new ATOM 0 HB3 LYS A 535 3.366 -8.532 0.659 1.00 54.32 H new ATOM 0 HG2 LYS A 535 1.728 -7.559 3.029 1.00 23.11 H new ATOM 0 HG3 LYS A 535 3.130 -8.606 3.121 1.00 23.11 H new ATOM 0 HD2 LYS A 535 3.117 -5.768 2.017 1.00 50.21 H new ATOM 0 HD3 LYS A 535 3.704 -6.239 3.600 1.00 50.21 H new ATOM 0 HE2 LYS A 535 4.833 -7.143 0.920 1.00 21.42 H new ATOM 0 HE3 LYS A 535 5.574 -6.000 2.022 1.00 21.42 H new ATOM 0 HZ1 LYS A 535 6.623 -8.050 2.401 1.00 51.41 H new ATOM 0 HZ2 LYS A 535 5.559 -7.862 3.711 1.00 51.41 H new ATOM 0 HZ3 LYS A 535 5.159 -8.909 2.436 1.00 51.41 H new ATOM 860 N GLY A 536 2.496 -7.436 -2.027 1.00 11.12 N ATOM 861 CA GLY A 536 2.443 -7.892 -3.403 1.00 74.05 C ATOM 862 C GLY A 536 3.673 -8.683 -3.800 1.00 62.22 C ATOM 863 O GLY A 536 4.173 -8.547 -4.916 1.00 45.12 O ATOM 0 H GLY A 536 3.305 -6.859 -1.798 1.00 11.12 H new ATOM 0 HA2 GLY A 536 1.556 -8.510 -3.544 1.00 74.05 H new ATOM 0 HA3 GLY A 536 2.339 -7.031 -4.064 1.00 74.05 H new ATOM 867 N MET A 537 4.163 -9.511 -2.883 1.00 62.35 N ATOM 868 CA MET A 537 5.344 -10.327 -3.144 1.00 52.10 C ATOM 869 C MET A 537 5.643 -11.244 -1.962 1.00 52.32 C ATOM 870 O MET A 537 6.645 -11.090 -1.264 1.00 42.52 O ATOM 871 CB MET A 537 6.553 -9.435 -3.431 1.00 40.21 C ATOM 872 CG MET A 537 7.574 -10.075 -4.358 1.00 1.23 C ATOM 873 SD MET A 537 8.689 -8.869 -5.101 1.00 43.13 S ATOM 874 CE MET A 537 10.262 -9.406 -4.434 1.00 3.42 C ATOM 0 H MET A 537 3.761 -9.635 -1.954 1.00 62.35 H new ATOM 0 HA MET A 537 5.142 -10.945 -4.019 1.00 52.10 H new ATOM 0 HB2 MET A 537 6.208 -8.501 -3.874 1.00 40.21 H new ATOM 0 HB3 MET A 537 7.039 -9.181 -2.489 1.00 40.21 H new ATOM 0 HG2 MET A 537 8.157 -10.807 -3.800 1.00 1.23 H new ATOM 0 HG3 MET A 537 7.053 -10.617 -5.147 1.00 1.23 H new ATOM 0 HE1 MET A 537 11.055 -8.756 -4.803 1.00 3.42 H new ATOM 0 HE2 MET A 537 10.231 -9.358 -3.345 1.00 3.42 H new ATOM 0 HE3 MET A 537 10.459 -10.432 -4.747 1.00 3.42 H new ATOM 884 N PRO A 538 4.754 -12.221 -1.730 1.00 71.14 N ATOM 885 CA PRO A 538 4.902 -13.182 -0.633 1.00 52.21 C ATOM 886 C PRO A 538 6.056 -14.152 -0.864 1.00 15.25 C ATOM 887 O PRO A 538 6.720 -14.107 -1.898 1.00 3.43 O ATOM 888 CB PRO A 538 3.566 -13.930 -0.634 1.00 1.40 C ATOM 889 CG PRO A 538 3.062 -13.803 -2.030 1.00 63.52 C ATOM 890 CD PRO A 538 3.536 -12.464 -2.522 1.00 42.21 C ATOM 0 HA PRO A 538 5.130 -12.690 0.312 1.00 52.21 H new ATOM 0 HB2 PRO A 538 3.697 -14.975 -0.354 1.00 1.40 H new ATOM 0 HB3 PRO A 538 2.868 -13.494 0.080 1.00 1.40 H new ATOM 0 HG2 PRO A 538 3.445 -14.607 -2.658 1.00 63.52 H new ATOM 0 HG3 PRO A 538 1.974 -13.867 -2.059 1.00 63.52 H new ATOM 0 HD2 PRO A 538 3.749 -12.481 -3.591 1.00 42.21 H new ATOM 0 HD3 PRO A 538 2.788 -11.688 -2.358 1.00 42.21 H new ATOM 898 N GLY A 539 6.288 -15.030 0.108 1.00 53.23 N ATOM 899 CA GLY A 539 7.362 -15.999 -0.009 1.00 53.33 C ATOM 900 C GLY A 539 8.653 -15.512 0.619 1.00 74.02 C ATOM 901 O GLY A 539 9.712 -16.102 0.410 1.00 42.43 O ATOM 0 H GLY A 539 5.751 -15.087 0.974 1.00 53.23 H new ATOM 0 HA2 GLY A 539 7.059 -16.932 0.467 1.00 53.33 H new ATOM 0 HA3 GLY A 539 7.535 -16.220 -1.062 1.00 53.33 H new ATOM 905 N GLU A 540 8.564 -14.432 1.389 1.00 31.22 N ATOM 906 CA GLU A 540 9.735 -13.866 2.047 1.00 5.21 C ATOM 907 C GLU A 540 10.074 -14.640 3.318 1.00 73.54 C ATOM 908 O GLU A 540 11.177 -15.167 3.462 1.00 60.33 O ATOM 909 CB GLU A 540 9.496 -12.392 2.383 1.00 24.45 C ATOM 910 CG GLU A 540 8.855 -11.606 1.253 1.00 72.24 C ATOM 911 CD GLU A 540 9.035 -10.109 1.408 1.00 54.51 C ATOM 912 OE1 GLU A 540 9.671 -9.687 2.397 1.00 61.54 O ATOM 913 OE2 GLU A 540 8.539 -9.358 0.542 1.00 40.11 O ATOM 0 H GLU A 540 7.694 -13.932 1.572 1.00 31.22 H new ATOM 0 HA GLU A 540 10.578 -13.943 1.360 1.00 5.21 H new ATOM 0 HB2 GLU A 540 8.859 -12.328 3.265 1.00 24.45 H new ATOM 0 HB3 GLU A 540 10.448 -11.928 2.642 1.00 24.45 H new ATOM 0 HG2 GLU A 540 9.287 -11.924 0.304 1.00 72.24 H new ATOM 0 HG3 GLU A 540 7.791 -11.838 1.212 1.00 72.24 H new ATOM 920 N VAL A 541 9.116 -14.705 4.237 1.00 10.21 N ATOM 921 CA VAL A 541 9.311 -15.415 5.496 1.00 52.15 C ATOM 922 C VAL A 541 9.070 -16.911 5.325 1.00 2.35 C ATOM 923 O VAL A 541 9.702 -17.732 5.992 1.00 74.12 O ATOM 924 CB VAL A 541 8.375 -14.877 6.594 1.00 32.22 C ATOM 925 CG1 VAL A 541 8.664 -15.559 7.923 1.00 52.21 C ATOM 926 CG2 VAL A 541 8.513 -13.367 6.719 1.00 33.40 C ATOM 0 H VAL A 541 8.197 -14.275 4.133 1.00 10.21 H new ATOM 0 HA VAL A 541 10.345 -15.248 5.798 1.00 52.15 H new ATOM 0 HB VAL A 541 7.346 -15.103 6.313 1.00 32.22 H new ATOM 0 HG11 VAL A 541 7.993 -15.166 8.687 1.00 52.21 H new ATOM 0 HG12 VAL A 541 8.509 -16.633 7.822 1.00 52.21 H new ATOM 0 HG13 VAL A 541 9.697 -15.367 8.214 1.00 52.21 H new ATOM 0 HG21 VAL A 541 7.844 -13.004 7.499 1.00 33.40 H new ATOM 0 HG22 VAL A 541 9.542 -13.116 6.977 1.00 33.40 H new ATOM 0 HG23 VAL A 541 8.252 -12.898 5.770 1.00 33.40 H new ATOM 936 N LEU A 542 8.154 -17.259 4.429 1.00 53.40 N ATOM 937 CA LEU A 542 7.829 -18.657 4.170 1.00 61.02 C ATOM 938 C LEU A 542 9.022 -19.389 3.563 1.00 33.53 C ATOM 939 O LEU A 542 9.118 -20.613 3.648 1.00 23.41 O ATOM 940 CB LEU A 542 6.625 -18.756 3.232 1.00 34.11 C ATOM 941 CG LEU A 542 5.252 -18.803 3.905 1.00 63.41 C ATOM 942 CD1 LEU A 542 4.752 -17.397 4.196 1.00 30.23 C ATOM 943 CD2 LEU A 542 4.257 -19.556 3.034 1.00 50.12 C ATOM 0 H LEU A 542 7.623 -16.592 3.869 1.00 53.40 H new ATOM 0 HA LEU A 542 7.581 -19.129 5.121 1.00 61.02 H new ATOM 0 HB2 LEU A 542 6.646 -17.902 2.554 1.00 34.11 H new ATOM 0 HB3 LEU A 542 6.739 -19.651 2.621 1.00 34.11 H new ATOM 0 HG LEU A 542 5.350 -19.334 4.852 1.00 63.41 H new ATOM 0 HD11 LEU A 542 3.774 -17.450 4.675 1.00 30.23 H new ATOM 0 HD12 LEU A 542 5.454 -16.891 4.859 1.00 30.23 H new ATOM 0 HD13 LEU A 542 4.669 -16.840 3.263 1.00 30.23 H new ATOM 0 HD21 LEU A 542 3.286 -19.580 3.528 1.00 50.12 H new ATOM 0 HD22 LEU A 542 4.162 -19.053 2.072 1.00 50.12 H new ATOM 0 HD23 LEU A 542 4.609 -20.576 2.877 1.00 50.12 H new ATOM 955 N GLN A 543 9.928 -18.632 2.954 1.00 13.50 N ATOM 956 CA GLN A 543 11.115 -19.209 2.335 1.00 32.31 C ATOM 957 C GLN A 543 12.213 -19.434 3.369 1.00 42.10 C ATOM 958 O GLN A 543 12.670 -20.560 3.570 1.00 12.23 O ATOM 959 CB GLN A 543 11.628 -18.299 1.218 1.00 12.21 C ATOM 960 CG GLN A 543 11.038 -18.618 -0.146 1.00 53.31 C ATOM 961 CD GLN A 543 11.764 -19.749 -0.846 1.00 63.13 C ATOM 962 OE1 GLN A 543 12.965 -19.944 -0.654 1.00 72.30 O ATOM 963 NE2 GLN A 543 11.039 -20.502 -1.664 1.00 73.35 N ATOM 0 H GLN A 543 9.863 -17.617 2.876 1.00 13.50 H new ATOM 0 HA GLN A 543 10.839 -20.174 1.909 1.00 32.31 H new ATOM 0 HB2 GLN A 543 11.399 -17.264 1.470 1.00 12.21 H new ATOM 0 HB3 GLN A 543 12.714 -18.381 1.163 1.00 12.21 H new ATOM 0 HG2 GLN A 543 9.987 -18.883 -0.030 1.00 53.31 H new ATOM 0 HG3 GLN A 543 11.075 -17.726 -0.771 1.00 53.31 H new ATOM 0 HE21 GLN A 543 10.047 -20.305 -1.794 1.00 73.35 H new ATOM 0 HE22 GLN A 543 11.474 -21.278 -2.163 1.00 73.35 H new ATOM 972 N HIS A 544 12.634 -18.355 4.022 1.00 31.31 N ATOM 973 CA HIS A 544 13.679 -18.435 5.036 1.00 4.11 C ATOM 974 C HIS A 544 13.182 -19.179 6.272 1.00 63.33 C ATOM 975 O HIS A 544 13.788 -20.160 6.704 1.00 44.12 O ATOM 976 CB HIS A 544 14.149 -17.033 5.426 1.00 42.04 C ATOM 977 CG HIS A 544 15.056 -16.402 4.414 1.00 75.33 C ATOM 978 ND1 HIS A 544 15.929 -15.380 4.719 1.00 22.34 N ATOM 979 CD2 HIS A 544 15.222 -16.656 3.095 1.00 51.45 C ATOM 980 CE1 HIS A 544 16.593 -15.031 3.632 1.00 55.14 C ATOM 981 NE2 HIS A 544 16.182 -15.790 2.632 1.00 62.04 N ATOM 0 H HIS A 544 12.268 -17.416 3.867 1.00 31.31 H new ATOM 0 HA HIS A 544 14.518 -18.988 4.614 1.00 4.11 H new ATOM 0 HB2 HIS A 544 13.278 -16.394 5.570 1.00 42.04 H new ATOM 0 HB3 HIS A 544 14.667 -17.086 6.383 1.00 42.04 H new ATOM 0 HD2 HIS A 544 14.697 -17.401 2.515 1.00 51.45 H new ATOM 0 HE1 HIS A 544 17.344 -14.257 3.571 1.00 55.14 H new ATOM 0 HE2 HIS A 544 16.522 -15.741 1.672 1.00 62.04 H new ATOM 989 N PHE A 545 12.076 -18.706 6.836 1.00 21.42 N ATOM 990 CA PHE A 545 11.499 -19.326 8.023 1.00 34.13 C ATOM 991 C PHE A 545 10.525 -20.436 7.638 1.00 21.23 C ATOM 992 O PHE A 545 9.424 -20.529 8.182 1.00 21.52 O ATOM 993 CB PHE A 545 10.782 -18.276 8.875 1.00 72.40 C ATOM 994 CG PHE A 545 11.707 -17.484 9.754 1.00 52.12 C ATOM 995 CD1 PHE A 545 11.535 -17.469 11.128 1.00 35.15 C ATOM 996 CD2 PHE A 545 12.748 -16.753 9.205 1.00 64.30 C ATOM 997 CE1 PHE A 545 12.384 -16.741 11.940 1.00 22.21 C ATOM 998 CE2 PHE A 545 13.601 -16.024 10.012 1.00 45.05 C ATOM 999 CZ PHE A 545 13.418 -16.017 11.381 1.00 44.14 C ATOM 0 H PHE A 545 11.561 -17.896 6.491 1.00 21.42 H new ATOM 0 HA PHE A 545 12.310 -19.764 8.604 1.00 34.13 H new ATOM 0 HB2 PHE A 545 10.244 -17.592 8.218 1.00 72.40 H new ATOM 0 HB3 PHE A 545 10.038 -18.772 9.498 1.00 72.40 H new ATOM 0 HD1 PHE A 545 10.727 -18.033 11.571 1.00 35.15 H new ATOM 0 HD2 PHE A 545 12.895 -16.753 8.135 1.00 64.30 H new ATOM 0 HE1 PHE A 545 12.239 -16.739 13.010 1.00 22.21 H new ATOM 0 HE2 PHE A 545 14.410 -15.460 9.572 1.00 45.05 H new ATOM 0 HZ PHE A 545 14.082 -15.446 12.013 1.00 44.14 H new ATOM 1009 N THR A 546 10.939 -21.277 6.695 1.00 34.00 N ATOM 1010 CA THR A 546 10.104 -22.380 6.235 1.00 41.20 C ATOM 1011 C THR A 546 10.107 -23.527 7.239 1.00 74.03 C ATOM 1012 O THR A 546 9.130 -24.268 7.351 1.00 60.33 O ATOM 1013 CB THR A 546 10.576 -22.908 4.867 1.00 34.31 C ATOM 1014 OG1 THR A 546 9.585 -23.779 4.310 1.00 34.03 O ATOM 1015 CG2 THR A 546 11.895 -23.653 5.001 1.00 62.45 C ATOM 0 H THR A 546 11.847 -21.215 6.235 1.00 34.00 H new ATOM 0 HA THR A 546 9.091 -21.991 6.136 1.00 41.20 H new ATOM 0 HB THR A 546 10.724 -22.055 4.204 1.00 34.31 H new ATOM 0 HG1 THR A 546 9.892 -24.109 3.440 1.00 34.03 H new ATOM 0 HG21 THR A 546 12.209 -24.017 4.022 1.00 62.45 H new ATOM 0 HG22 THR A 546 12.654 -22.980 5.398 1.00 62.45 H new ATOM 0 HG23 THR A 546 11.769 -24.497 5.678 1.00 62.45 H new ATOM 1023 N ARG A 547 11.209 -23.668 7.967 1.00 3.51 N ATOM 1024 CA ARG A 547 11.338 -24.726 8.962 1.00 43.43 C ATOM 1025 C ARG A 547 10.954 -24.218 10.348 1.00 22.05 C ATOM 1026 O ARG A 547 10.601 -24.999 11.232 1.00 34.43 O ATOM 1027 CB ARG A 547 12.770 -25.264 8.982 1.00 2.43 C ATOM 1028 CG ARG A 547 13.820 -24.191 9.223 1.00 62.40 C ATOM 1029 CD ARG A 547 15.035 -24.754 9.944 1.00 3.51 C ATOM 1030 NE ARG A 547 16.274 -24.492 9.215 1.00 33.32 N ATOM 1031 CZ ARG A 547 16.638 -25.156 8.123 1.00 12.35 C ATOM 1032 NH1 ARG A 547 15.862 -26.114 7.637 1.00 60.43 N ATOM 1033 NH2 ARG A 547 17.780 -24.860 7.516 1.00 32.10 N ATOM 0 H ARG A 547 12.026 -23.063 7.887 1.00 3.51 H new ATOM 0 HA ARG A 547 10.658 -25.533 8.689 1.00 43.43 H new ATOM 0 HB2 ARG A 547 12.853 -26.023 9.760 1.00 2.43 H new ATOM 0 HB3 ARG A 547 12.977 -25.757 8.032 1.00 2.43 H new ATOM 0 HG2 ARG A 547 14.128 -23.761 8.270 1.00 62.40 H new ATOM 0 HG3 ARG A 547 13.387 -23.383 9.813 1.00 62.40 H new ATOM 0 HD2 ARG A 547 15.101 -24.316 10.940 1.00 3.51 H new ATOM 0 HD3 ARG A 547 14.912 -25.829 10.076 1.00 3.51 H new ATOM 0 HE ARG A 547 16.893 -23.760 9.563 1.00 33.32 H new ATOM 0 HH11 ARG A 547 14.983 -26.343 8.101 1.00 60.43 H new ATOM 0 HH12 ARG A 547 16.144 -26.622 6.799 1.00 60.43 H new ATOM 0 HH21 ARG A 547 18.379 -24.123 7.888 1.00 32.10 H new ATOM 0 HH22 ARG A 547 18.059 -25.370 6.678 1.00 32.10 H new ATOM 1047 N THR A 548 11.027 -22.903 10.533 1.00 75.41 N ATOM 1048 CA THR A 548 10.688 -22.291 11.812 1.00 65.24 C ATOM 1049 C THR A 548 9.470 -21.385 11.682 1.00 11.51 C ATOM 1050 O THR A 548 9.393 -20.559 10.772 1.00 74.21 O ATOM 1051 CB THR A 548 11.867 -21.472 12.371 1.00 13.11 C ATOM 1052 OG1 THR A 548 13.001 -22.321 12.574 1.00 25.32 O ATOM 1053 CG2 THR A 548 11.486 -20.803 13.683 1.00 21.45 C ATOM 0 H THR A 548 11.318 -22.242 9.813 1.00 75.41 H new ATOM 0 HA THR A 548 10.460 -23.104 12.502 1.00 65.24 H new ATOM 0 HB THR A 548 12.119 -20.698 11.646 1.00 13.11 H new ATOM 0 HG1 THR A 548 13.746 -21.792 12.928 1.00 25.32 H new ATOM 0 HG21 THR A 548 12.334 -20.230 14.059 1.00 21.45 H new ATOM 0 HG22 THR A 548 10.641 -20.135 13.519 1.00 21.45 H new ATOM 0 HG23 THR A 548 11.210 -21.564 14.413 1.00 21.45 H new ATOM 1061 N ARG A 549 8.520 -21.543 12.598 1.00 4.23 N ATOM 1062 CA ARG A 549 7.305 -20.738 12.586 1.00 73.04 C ATOM 1063 C ARG A 549 6.735 -20.592 13.993 1.00 34.15 C ATOM 1064 O ARG A 549 7.261 -21.163 14.949 1.00 2.11 O ATOM 1065 CB ARG A 549 6.260 -21.369 11.663 1.00 13.35 C ATOM 1066 CG ARG A 549 6.591 -21.234 10.186 1.00 34.21 C ATOM 1067 CD ARG A 549 7.297 -22.473 9.658 1.00 31.24 C ATOM 1068 NE ARG A 549 6.362 -23.426 9.067 1.00 35.53 N ATOM 1069 CZ ARG A 549 5.895 -23.326 7.828 1.00 50.03 C ATOM 1070 NH1 ARG A 549 6.275 -22.320 7.052 1.00 23.02 N ATOM 1071 NH2 ARG A 549 5.046 -24.233 7.361 1.00 25.32 N ATOM 0 H ARG A 549 8.569 -22.222 13.358 1.00 4.23 H new ATOM 0 HA ARG A 549 7.559 -19.746 12.212 1.00 73.04 H new ATOM 0 HB2 ARG A 549 6.161 -22.426 11.909 1.00 13.35 H new ATOM 0 HB3 ARG A 549 5.292 -20.905 11.854 1.00 13.35 H new ATOM 0 HG2 ARG A 549 5.674 -21.067 9.620 1.00 34.21 H new ATOM 0 HG3 ARG A 549 7.224 -20.360 10.032 1.00 34.21 H new ATOM 0 HD2 ARG A 549 8.035 -22.179 8.912 1.00 31.24 H new ATOM 0 HD3 ARG A 549 7.840 -22.955 10.471 1.00 31.24 H new ATOM 0 HE ARG A 549 6.050 -24.212 9.637 1.00 35.53 H new ATOM 0 HH11 ARG A 549 6.928 -21.621 7.406 1.00 23.02 H new ATOM 0 HH12 ARG A 549 5.915 -22.246 6.101 1.00 23.02 H new ATOM 0 HH21 ARG A 549 4.751 -25.009 7.954 1.00 25.32 H new ATOM 0 HH22 ARG A 549 4.688 -24.154 6.409 1.00 25.32 H new ATOM 1085 N ILE A 550 5.657 -19.824 14.113 1.00 31.20 N ATOM 1086 CA ILE A 550 5.016 -19.604 15.403 1.00 33.14 C ATOM 1087 C ILE A 550 3.658 -18.930 15.235 1.00 61.41 C ATOM 1088 O ILE A 550 3.208 -18.688 14.114 1.00 33.13 O ATOM 1089 CB ILE A 550 5.894 -18.740 16.328 1.00 35.42 C ATOM 1090 CG1 ILE A 550 5.604 -19.068 17.794 1.00 12.15 C ATOM 1091 CG2 ILE A 550 5.658 -17.263 16.053 1.00 3.34 C ATOM 1092 CD1 ILE A 550 6.850 -19.198 18.642 1.00 11.12 C ATOM 0 H ILE A 550 5.209 -19.344 13.332 1.00 31.20 H new ATOM 0 HA ILE A 550 4.878 -20.585 15.858 1.00 33.14 H new ATOM 0 HB ILE A 550 6.941 -18.964 16.125 1.00 35.42 H new ATOM 0 HG12 ILE A 550 4.969 -18.288 18.214 1.00 12.15 H new ATOM 0 HG13 ILE A 550 5.041 -20.000 17.845 1.00 12.15 H new ATOM 0 HG21 ILE A 550 6.285 -16.665 16.714 1.00 3.34 H new ATOM 0 HG22 ILE A 550 5.909 -17.041 15.016 1.00 3.34 H new ATOM 0 HG23 ILE A 550 4.610 -17.023 16.232 1.00 3.34 H new ATOM 0 HD11 ILE A 550 6.569 -19.431 19.669 1.00 11.12 H new ATOM 0 HD12 ILE A 550 7.477 -19.997 18.247 1.00 11.12 H new ATOM 0 HD13 ILE A 550 7.404 -18.259 18.622 1.00 11.12 H new ATOM 1104 N LEU A 551 3.011 -18.628 16.355 1.00 73.42 N ATOM 1105 CA LEU A 551 1.704 -17.980 16.332 1.00 1.02 C ATOM 1106 C LEU A 551 1.623 -16.959 15.202 1.00 14.43 C ATOM 1107 O LEU A 551 0.608 -16.859 14.515 1.00 74.15 O ATOM 1108 CB LEU A 551 1.428 -17.297 17.673 1.00 24.31 C ATOM 1109 CG LEU A 551 2.293 -16.079 17.996 1.00 5.42 C ATOM 1110 CD1 LEU A 551 1.631 -14.805 17.492 1.00 25.44 C ATOM 1111 CD2 LEU A 551 2.553 -15.991 19.493 1.00 1.50 C ATOM 0 H LEU A 551 3.370 -18.821 17.290 1.00 73.42 H new ATOM 0 HA LEU A 551 0.948 -18.746 16.159 1.00 1.02 H new ATOM 0 HB2 LEU A 551 0.382 -16.991 17.693 1.00 24.31 H new ATOM 0 HB3 LEU A 551 1.560 -18.032 18.467 1.00 24.31 H new ATOM 0 HG LEU A 551 3.250 -16.192 17.487 1.00 5.42 H new ATOM 0 HD11 LEU A 551 2.261 -13.948 17.731 1.00 25.44 H new ATOM 0 HD12 LEU A 551 1.497 -14.867 16.412 1.00 25.44 H new ATOM 0 HD13 LEU A 551 0.659 -14.686 17.972 1.00 25.44 H new ATOM 0 HD21 LEU A 551 3.170 -15.118 19.704 1.00 1.50 H new ATOM 0 HD22 LEU A 551 1.604 -15.901 20.022 1.00 1.50 H new ATOM 0 HD23 LEU A 551 3.071 -16.891 19.826 1.00 1.50 H new ATOM 1123 N ASN A 552 2.700 -16.203 15.016 1.00 50.12 N ATOM 1124 CA ASN A 552 2.751 -15.190 13.968 1.00 51.12 C ATOM 1125 C ASN A 552 3.032 -15.826 12.610 1.00 44.21 C ATOM 1126 O ASN A 552 2.215 -15.746 11.693 1.00 75.50 O ATOM 1127 CB ASN A 552 3.825 -14.148 14.288 1.00 31.43 C ATOM 1128 CG ASN A 552 3.786 -12.967 13.338 1.00 24.10 C ATOM 1129 OD1 ASN A 552 2.598 -12.409 13.135 1.00 11.00 O flip ATOM 1130 ND2 ASN A 552 4.813 -12.561 12.793 1.00 24.44 N flip ATOM 0 H ASN A 552 3.549 -16.273 15.577 1.00 50.12 H new ATOM 0 HA ASN A 552 1.779 -14.698 13.925 1.00 51.12 H new ATOM 0 HB2 ASN A 552 3.690 -13.793 15.310 1.00 31.43 H new ATOM 0 HB3 ASN A 552 4.808 -14.617 14.240 1.00 31.43 H new ATOM 0 HD21 ASN A 552 5.705 -13.020 12.978 1.00 24.44 H new ATOM 0 HD22 ASN A 552 4.772 -11.765 12.156 1.00 24.44 H new ATOM 1137 N LYS A 553 4.195 -16.457 12.488 1.00 31.51 N ATOM 1138 CA LYS A 553 4.585 -17.109 11.244 1.00 64.53 C ATOM 1139 C LYS A 553 3.596 -18.209 10.872 1.00 53.13 C ATOM 1140 O LYS A 553 2.811 -18.676 11.697 1.00 30.33 O ATOM 1141 CB LYS A 553 5.993 -17.697 11.372 1.00 74.34 C ATOM 1142 CG LYS A 553 6.933 -16.848 12.209 1.00 13.13 C ATOM 1143 CD LYS A 553 6.922 -15.396 11.760 1.00 23.32 C ATOM 1144 CE LYS A 553 8.214 -14.687 12.137 1.00 61.13 C ATOM 1145 NZ LYS A 553 9.257 -14.838 11.084 1.00 12.03 N ATOM 0 H LYS A 553 4.884 -16.531 13.236 1.00 31.51 H new ATOM 0 HA LYS A 553 4.581 -16.359 10.453 1.00 64.53 H new ATOM 0 HB2 LYS A 553 5.924 -18.691 11.814 1.00 74.34 H new ATOM 0 HB3 LYS A 553 6.418 -17.820 10.376 1.00 74.34 H new ATOM 0 HG2 LYS A 553 6.642 -16.908 13.258 1.00 13.13 H new ATOM 0 HG3 LYS A 553 7.946 -17.245 12.136 1.00 13.13 H new ATOM 0 HD2 LYS A 553 6.781 -15.349 10.680 1.00 23.32 H new ATOM 0 HD3 LYS A 553 6.076 -14.880 12.214 1.00 23.32 H new ATOM 0 HE2 LYS A 553 8.013 -13.628 12.300 1.00 61.13 H new ATOM 0 HE3 LYS A 553 8.588 -15.089 13.079 1.00 61.13 H new ATOM 0 HZ1 LYS A 553 10.191 -14.620 11.486 1.00 12.03 H new ATOM 0 HZ2 LYS A 553 9.253 -15.816 10.729 1.00 12.03 H new ATOM 0 HZ3 LYS A 553 9.056 -14.184 10.300 1.00 12.03 H new ATOM 1159 N PRO A 554 3.632 -18.634 9.600 1.00 4.20 N ATOM 1160 CA PRO A 554 2.746 -19.685 9.091 1.00 44.13 C ATOM 1161 C PRO A 554 3.087 -21.057 9.662 1.00 33.11 C ATOM 1162 O PRO A 554 3.652 -21.904 8.972 1.00 63.24 O ATOM 1163 CB PRO A 554 2.995 -19.658 7.581 1.00 44.33 C ATOM 1164 CG PRO A 554 4.369 -19.100 7.433 1.00 30.12 C ATOM 1165 CD PRO A 554 4.542 -18.121 8.562 1.00 60.44 C ATOM 0 HA PRO A 554 1.706 -19.512 9.369 1.00 44.13 H new ATOM 0 HB2 PRO A 554 2.925 -20.657 7.150 1.00 44.33 H new ATOM 0 HB3 PRO A 554 2.259 -19.038 7.069 1.00 44.33 H new ATOM 0 HG2 PRO A 554 5.118 -19.890 7.483 1.00 30.12 H new ATOM 0 HG3 PRO A 554 4.489 -18.608 6.468 1.00 30.12 H new ATOM 0 HD2 PRO A 554 5.574 -18.089 8.912 1.00 60.44 H new ATOM 0 HD3 PRO A 554 4.277 -17.108 8.260 1.00 60.44 H new ATOM 1173 N MET A 555 2.738 -21.269 10.927 1.00 71.42 N ATOM 1174 CA MET A 555 3.005 -22.540 11.590 1.00 64.52 C ATOM 1175 C MET A 555 2.229 -23.674 10.927 1.00 40.45 C ATOM 1176 O MET A 555 2.798 -24.707 10.578 1.00 31.34 O ATOM 1177 CB MET A 555 2.638 -22.454 13.072 1.00 33.13 C ATOM 1178 CG MET A 555 2.662 -23.797 13.784 1.00 61.23 C ATOM 1179 SD MET A 555 4.305 -24.539 13.811 1.00 63.11 S ATOM 1180 CE MET A 555 4.287 -25.343 15.411 1.00 24.13 C ATOM 0 H MET A 555 2.270 -20.577 11.513 1.00 71.42 H new ATOM 0 HA MET A 555 4.070 -22.751 11.499 1.00 64.52 H new ATOM 0 HB2 MET A 555 3.330 -21.776 13.570 1.00 33.13 H new ATOM 0 HB3 MET A 555 1.643 -22.020 13.167 1.00 33.13 H new ATOM 0 HG2 MET A 555 2.309 -23.668 14.807 1.00 61.23 H new ATOM 0 HG3 MET A 555 1.968 -24.478 13.291 1.00 61.23 H new ATOM 0 HE1 MET A 555 5.239 -25.848 15.575 1.00 24.13 H new ATOM 0 HE2 MET A 555 4.133 -24.598 16.191 1.00 24.13 H new ATOM 0 HE3 MET A 555 3.479 -26.073 15.442 1.00 24.13 H new ATOM 1190 N ASN A 556 0.927 -23.472 10.755 1.00 14.42 N ATOM 1191 CA ASN A 556 0.072 -24.477 10.134 1.00 23.42 C ATOM 1192 C ASN A 556 -1.135 -23.828 9.465 1.00 41.31 C ATOM 1193 O ASN A 556 -2.280 -24.154 9.776 1.00 60.44 O ATOM 1194 CB ASN A 556 -0.395 -25.494 11.178 1.00 62.34 C ATOM 1195 CG ASN A 556 -0.902 -26.777 10.548 1.00 72.21 C ATOM 1196 OD1 ASN A 556 -2.087 -26.903 10.238 1.00 30.41 O ATOM 1197 ND2 ASN A 556 -0.005 -27.737 10.356 1.00 61.10 N ATOM 0 H ASN A 556 0.441 -22.621 11.037 1.00 14.42 H new ATOM 0 HA ASN A 556 0.655 -24.991 9.370 1.00 23.42 H new ATOM 0 HB2 ASN A 556 0.430 -25.725 11.852 1.00 62.34 H new ATOM 0 HB3 ASN A 556 -1.186 -25.052 11.783 1.00 62.34 H new ATOM 0 HD21 ASN A 556 -0.288 -28.623 9.936 1.00 61.10 H new ATOM 0 HD22 ASN A 556 0.967 -27.589 10.628 1.00 61.10 H new ATOM 1204 N MET A 557 -0.870 -22.907 8.544 1.00 3.54 N ATOM 1205 CA MET A 557 -1.934 -22.212 7.830 1.00 74.13 C ATOM 1206 C MET A 557 -2.089 -22.763 6.416 1.00 72.13 C ATOM 1207 O MET A 557 -1.383 -23.690 6.021 1.00 23.33 O ATOM 1208 CB MET A 557 -1.647 -20.711 7.776 1.00 43.52 C ATOM 1209 CG MET A 557 -0.314 -20.370 7.128 1.00 14.11 C ATOM 1210 SD MET A 557 -0.367 -18.822 6.204 1.00 22.42 S ATOM 1211 CE MET A 557 -0.141 -17.632 7.524 1.00 72.52 C ATOM 0 H MET A 557 0.073 -22.625 8.275 1.00 3.54 H new ATOM 0 HA MET A 557 -2.867 -22.376 8.370 1.00 74.13 H new ATOM 0 HB2 MET A 557 -2.447 -20.216 7.225 1.00 43.52 H new ATOM 0 HB3 MET A 557 -1.662 -20.310 8.789 1.00 43.52 H new ATOM 0 HG2 MET A 557 0.454 -20.302 7.899 1.00 14.11 H new ATOM 0 HG3 MET A 557 -0.023 -21.179 6.458 1.00 14.11 H new ATOM 0 HE1 MET A 557 0.611 -16.900 7.229 1.00 72.52 H new ATOM 0 HE2 MET A 557 -1.085 -17.123 7.721 1.00 72.52 H new ATOM 0 HE3 MET A 557 0.188 -18.148 8.426 1.00 72.52 H new ATOM 1221 N GLN A 558 -3.017 -22.186 5.659 1.00 72.41 N ATOM 1222 CA GLN A 558 -3.264 -22.622 4.289 1.00 11.44 C ATOM 1223 C GLN A 558 -4.001 -21.544 3.500 1.00 31.44 C ATOM 1224 O GLN A 558 -4.920 -20.904 4.013 1.00 72.03 O ATOM 1225 CB GLN A 558 -4.074 -23.919 4.282 1.00 23.44 C ATOM 1226 CG GLN A 558 -5.545 -23.720 4.607 1.00 33.21 C ATOM 1227 CD GLN A 558 -6.295 -25.031 4.745 1.00 11.53 C ATOM 1228 OE1 GLN A 558 -6.003 -25.836 5.630 1.00 42.03 O ATOM 1229 NE2 GLN A 558 -7.269 -25.251 3.870 1.00 64.14 N ATOM 0 H GLN A 558 -3.610 -21.416 5.971 1.00 72.41 H new ATOM 0 HA GLN A 558 -2.300 -22.802 3.812 1.00 11.44 H new ATOM 0 HB2 GLN A 558 -3.987 -24.386 3.301 1.00 23.44 H new ATOM 0 HB3 GLN A 558 -3.641 -24.611 5.004 1.00 23.44 H new ATOM 0 HG2 GLN A 558 -5.635 -23.155 5.535 1.00 33.21 H new ATOM 0 HG3 GLN A 558 -6.009 -23.121 3.823 1.00 33.21 H new ATOM 0 HE21 GLN A 558 -7.477 -24.556 3.153 1.00 64.14 H new ATOM 0 HE22 GLN A 558 -7.809 -26.115 3.915 1.00 64.14 H new ATOM 1238 N LEU A 559 -3.592 -21.349 2.252 1.00 53.14 N ATOM 1239 CA LEU A 559 -4.214 -20.348 1.391 1.00 62.31 C ATOM 1240 C LEU A 559 -5.628 -20.767 1.003 1.00 52.24 C ATOM 1241 O LEU A 559 -5.834 -21.832 0.419 1.00 41.33 O ATOM 1242 CB LEU A 559 -3.370 -20.134 0.133 1.00 2.33 C ATOM 1243 CG LEU A 559 -3.859 -19.049 -0.826 1.00 51.53 C ATOM 1244 CD1 LEU A 559 -4.972 -19.583 -1.714 1.00 33.31 C ATOM 1245 CD2 LEU A 559 -4.332 -17.826 -0.053 1.00 22.21 C ATOM 0 H LEU A 559 -2.833 -21.870 1.813 1.00 53.14 H new ATOM 0 HA LEU A 559 -4.272 -19.412 1.946 1.00 62.31 H new ATOM 0 HB2 LEU A 559 -2.353 -19.889 0.439 1.00 2.33 H new ATOM 0 HB3 LEU A 559 -3.320 -21.077 -0.412 1.00 2.33 H new ATOM 0 HG LEU A 559 -3.025 -18.752 -1.462 1.00 51.53 H new ATOM 0 HD11 LEU A 559 -5.307 -18.796 -2.390 1.00 33.31 H new ATOM 0 HD12 LEU A 559 -4.600 -20.427 -2.295 1.00 33.31 H new ATOM 0 HD13 LEU A 559 -5.807 -19.909 -1.094 1.00 33.31 H new ATOM 0 HD21 LEU A 559 -4.676 -17.064 -0.752 1.00 22.21 H new ATOM 0 HD22 LEU A 559 -5.151 -18.108 0.609 1.00 22.21 H new ATOM 0 HD23 LEU A 559 -3.508 -17.429 0.539 1.00 22.21 H new ATOM 1257 N LEU A 560 -6.600 -19.922 1.328 1.00 0.25 N ATOM 1258 CA LEU A 560 -7.996 -20.202 1.012 1.00 71.52 C ATOM 1259 C LEU A 560 -8.569 -19.137 0.083 1.00 43.40 C ATOM 1260 O LEU A 560 -9.474 -19.407 -0.705 1.00 13.43 O ATOM 1261 CB LEU A 560 -8.826 -20.276 2.295 1.00 63.11 C ATOM 1262 CG LEU A 560 -9.290 -18.938 2.872 1.00 70.33 C ATOM 1263 CD1 LEU A 560 -10.687 -18.599 2.376 1.00 33.40 C ATOM 1264 CD2 LEU A 560 -9.255 -18.972 4.393 1.00 73.54 C ATOM 0 H LEU A 560 -6.447 -19.037 1.811 1.00 0.25 H new ATOM 0 HA LEU A 560 -8.040 -21.164 0.502 1.00 71.52 H new ATOM 0 HB2 LEU A 560 -9.706 -20.890 2.100 1.00 63.11 H new ATOM 0 HB3 LEU A 560 -8.239 -20.793 3.054 1.00 63.11 H new ATOM 0 HG LEU A 560 -8.607 -18.160 2.531 1.00 70.33 H new ATOM 0 HD11 LEU A 560 -11.001 -17.644 2.797 1.00 33.40 H new ATOM 0 HD12 LEU A 560 -10.680 -18.532 1.288 1.00 33.40 H new ATOM 0 HD13 LEU A 560 -11.383 -19.378 2.687 1.00 33.40 H new ATOM 0 HD21 LEU A 560 -9.588 -18.012 4.786 1.00 73.54 H new ATOM 0 HD22 LEU A 560 -9.915 -19.761 4.755 1.00 73.54 H new ATOM 0 HD23 LEU A 560 -8.237 -19.168 4.729 1.00 73.54 H new ATOM 1276 N GLY A 561 -8.032 -17.924 0.180 1.00 41.11 N ATOM 1277 CA GLY A 561 -8.501 -16.836 -0.659 1.00 25.23 C ATOM 1278 C GLY A 561 -7.749 -16.751 -1.972 1.00 65.21 C ATOM 1279 O GLY A 561 -7.072 -17.699 -2.370 1.00 64.50 O ATOM 0 H GLY A 561 -7.281 -17.676 0.824 1.00 41.11 H new ATOM 0 HA2 GLY A 561 -9.564 -16.969 -0.861 1.00 25.23 H new ATOM 0 HA3 GLY A 561 -8.394 -15.894 -0.121 1.00 25.23 H new ATOM 1283 N ASP A 562 -7.868 -15.614 -2.648 1.00 0.23 N ATOM 1284 CA ASP A 562 -7.194 -15.409 -3.925 1.00 13.42 C ATOM 1285 C ASP A 562 -7.035 -13.921 -4.223 1.00 15.14 C ATOM 1286 O ASP A 562 -7.820 -13.097 -3.754 1.00 53.11 O ATOM 1287 CB ASP A 562 -7.975 -16.087 -5.052 1.00 3.30 C ATOM 1288 CG ASP A 562 -7.155 -16.230 -6.319 1.00 44.10 C ATOM 1289 OD1 ASP A 562 -6.045 -16.798 -6.246 1.00 73.31 O ATOM 1290 OD2 ASP A 562 -7.622 -15.773 -7.383 1.00 42.15 O ATOM 0 H ASP A 562 -8.425 -14.820 -2.333 1.00 0.23 H new ATOM 0 HA ASP A 562 -6.202 -15.856 -3.860 1.00 13.42 H new ATOM 0 HB2 ASP A 562 -8.303 -17.073 -4.721 1.00 3.30 H new ATOM 0 HB3 ASP A 562 -8.873 -15.508 -5.267 1.00 3.30 H new ATOM 1295 N ALA A 563 -6.014 -13.585 -5.004 1.00 12.23 N ATOM 1296 CA ALA A 563 -5.753 -12.197 -5.365 1.00 0.14 C ATOM 1297 C ALA A 563 -6.871 -11.637 -6.237 1.00 41.15 C ATOM 1298 O ALA A 563 -7.197 -12.201 -7.281 1.00 64.35 O ATOM 1299 CB ALA A 563 -4.414 -12.080 -6.079 1.00 35.24 C ATOM 0 H ALA A 563 -5.354 -14.255 -5.399 1.00 12.23 H new ATOM 0 HA ALA A 563 -5.715 -11.610 -4.448 1.00 0.14 H new ATOM 0 HB1 ALA A 563 -4.232 -11.038 -6.343 1.00 35.24 H new ATOM 0 HB2 ALA A 563 -3.619 -12.432 -5.422 1.00 35.24 H new ATOM 0 HB3 ALA A 563 -4.431 -12.686 -6.985 1.00 35.24 H new ATOM 1305 N GLN A 564 -7.455 -10.525 -5.802 1.00 63.12 N ATOM 1306 CA GLN A 564 -8.538 -9.890 -6.544 1.00 65.54 C ATOM 1307 C GLN A 564 -8.118 -9.607 -7.983 1.00 74.32 C ATOM 1308 O GLN A 564 -8.960 -9.494 -8.875 1.00 41.23 O ATOM 1309 CB GLN A 564 -8.961 -8.590 -5.859 1.00 23.33 C ATOM 1310 CG GLN A 564 -10.431 -8.254 -6.046 1.00 73.14 C ATOM 1311 CD GLN A 564 -11.325 -8.967 -5.050 1.00 64.04 C ATOM 1312 OE1 GLN A 564 -11.571 -8.468 -3.952 1.00 23.43 O ATOM 1313 NE2 GLN A 564 -11.816 -10.141 -5.430 1.00 11.21 N ATOM 0 H GLN A 564 -7.196 -10.045 -4.940 1.00 63.12 H new ATOM 0 HA GLN A 564 -9.385 -10.576 -6.559 1.00 65.54 H new ATOM 0 HB2 GLN A 564 -8.747 -8.665 -4.793 1.00 23.33 H new ATOM 0 HB3 GLN A 564 -8.357 -7.771 -6.249 1.00 23.33 H new ATOM 0 HG2 GLN A 564 -10.569 -7.177 -5.946 1.00 73.14 H new ATOM 0 HG3 GLN A 564 -10.735 -8.522 -7.058 1.00 73.14 H new ATOM 0 HE21 GLN A 564 -11.585 -10.517 -6.350 1.00 11.21 H new ATOM 0 HE22 GLN A 564 -12.424 -10.667 -4.802 1.00 11.21 H new