USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 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 Single : A 486 MET CE :methyl 149:sc= -0.287 (180deg=-1.18) USER MOD Single : A 487 GLN : amide:sc= -3.49! C(o=-3.5!,f=-7.1!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.43) USER MOD Single : A 510 ASN : amide:sc= 0 K(o=0,f=-0.99) 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= -0.133 X(o=-0.13,f=0) USER MOD Single : A 523 LYS NZ :NH3+ -121:sc= 0.779 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-2.9) USER MOD Single : A 529 SER OG : rot -94:sc= -0.313 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 544 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.45) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 552 ASN : amide:sc= -3.41! K(o=-3.4!,f=-1.4) USER MOD Single : A 553 LYS NZ :NH3+ 167:sc=-0.00213 (180deg=-0.0788) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= 0 X(o=0,f=0.063) USER MOD Single : A 557 MET CE :methyl 169:sc=-0.000658 (180deg=-0.227) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.438 -4.564 -4.852 1.00 11.30 N ATOM 29 CA ASP A 482 4.063 -4.647 -6.167 1.00 75.11 C ATOM 30 C ASP A 482 3.033 -4.998 -7.236 1.00 72.44 C ATOM 31 O ASP A 482 3.119 -4.533 -8.373 1.00 12.22 O ATOM 32 CB ASP A 482 5.183 -5.689 -6.158 1.00 55.32 C ATOM 33 CG ASP A 482 6.390 -5.247 -6.962 1.00 30.33 C ATOM 34 OD1 ASP A 482 7.027 -6.112 -7.598 1.00 71.32 O ATOM 35 OD2 ASP A 482 6.699 -4.037 -6.953 1.00 75.04 O ATOM 0 HA ASP A 482 4.488 -3.671 -6.403 1.00 75.11 H new ATOM 0 HB2 ASP A 482 5.486 -5.883 -5.129 1.00 55.32 H new ATOM 0 HB3 ASP A 482 4.805 -6.628 -6.562 1.00 55.32 H new ATOM 40 N VAL A 483 2.059 -5.824 -6.865 1.00 4.10 N ATOM 41 CA VAL A 483 1.013 -6.238 -7.792 1.00 31.02 C ATOM 42 C VAL A 483 -0.365 -6.126 -7.150 1.00 74.20 C ATOM 43 O VAL A 483 -1.329 -5.709 -7.792 1.00 24.13 O ATOM 44 CB VAL A 483 1.228 -7.686 -8.271 1.00 21.02 C ATOM 45 CG1 VAL A 483 1.353 -8.628 -7.083 1.00 74.54 C ATOM 46 CG2 VAL A 483 0.094 -8.118 -9.188 1.00 13.41 C ATOM 0 H VAL A 483 1.973 -6.219 -5.929 1.00 4.10 H new ATOM 0 HA VAL A 483 1.067 -5.568 -8.650 1.00 31.02 H new ATOM 0 HB VAL A 483 2.158 -7.729 -8.838 1.00 21.02 H new ATOM 0 HG11 VAL A 483 1.504 -9.646 -7.441 1.00 74.54 H new ATOM 0 HG12 VAL A 483 2.203 -8.329 -6.469 1.00 74.54 H new ATOM 0 HG13 VAL A 483 0.442 -8.585 -6.487 1.00 74.54 H new ATOM 0 HG21 VAL A 483 0.263 -9.143 -9.517 1.00 13.41 H new ATOM 0 HG22 VAL A 483 -0.852 -8.060 -8.649 1.00 13.41 H new ATOM 0 HG23 VAL A 483 0.057 -7.460 -10.056 1.00 13.41 H new ATOM 56 N GLY A 484 -0.452 -6.502 -5.877 1.00 51.15 N ATOM 57 CA GLY A 484 -1.717 -6.436 -5.169 1.00 41.00 C ATOM 58 C GLY A 484 -2.135 -7.779 -4.603 1.00 10.51 C ATOM 59 O GLY A 484 -3.325 -8.048 -4.440 1.00 53.40 O ATOM 0 H GLY A 484 0.331 -6.851 -5.324 1.00 51.15 H new ATOM 0 HA2 GLY A 484 -1.639 -5.712 -4.358 1.00 41.00 H new ATOM 0 HA3 GLY A 484 -2.491 -6.074 -5.846 1.00 41.00 H new ATOM 63 N ASP A 485 -1.155 -8.624 -4.304 1.00 2.31 N ATOM 64 CA ASP A 485 -1.427 -9.946 -3.753 1.00 71.43 C ATOM 65 C ASP A 485 -2.357 -9.852 -2.547 1.00 64.23 C ATOM 66 O ASP A 485 -1.932 -9.488 -1.451 1.00 61.22 O ATOM 67 CB ASP A 485 -0.121 -10.635 -3.354 1.00 0.44 C ATOM 68 CG ASP A 485 -0.188 -12.141 -3.513 1.00 10.24 C ATOM 69 OD1 ASP A 485 -0.783 -12.804 -2.638 1.00 33.24 O ATOM 70 OD2 ASP A 485 0.354 -12.656 -4.512 1.00 71.15 O ATOM 0 H ASP A 485 -0.165 -8.417 -4.434 1.00 2.31 H new ATOM 0 HA ASP A 485 -1.920 -10.539 -4.523 1.00 71.43 H new ATOM 0 HB2 ASP A 485 0.693 -10.244 -3.964 1.00 0.44 H new ATOM 0 HB3 ASP A 485 0.112 -10.392 -2.317 1.00 0.44 H new ATOM 75 N MET A 486 -3.627 -10.182 -2.758 1.00 43.44 N ATOM 76 CA MET A 486 -4.616 -10.134 -1.688 1.00 71.12 C ATOM 77 C MET A 486 -5.322 -11.478 -1.541 1.00 15.02 C ATOM 78 O MET A 486 -5.971 -11.953 -2.472 1.00 53.14 O ATOM 79 CB MET A 486 -5.642 -9.033 -1.962 1.00 12.33 C ATOM 80 CG MET A 486 -6.392 -8.579 -0.720 1.00 11.21 C ATOM 81 SD MET A 486 -5.592 -7.190 0.106 1.00 23.32 S ATOM 82 CE MET A 486 -5.715 -5.927 -1.158 1.00 30.41 C ATOM 0 H MET A 486 -3.995 -10.485 -3.660 1.00 43.44 H new ATOM 0 HA MET A 486 -4.096 -9.912 -0.756 1.00 71.12 H new ATOM 0 HB2 MET A 486 -5.134 -8.176 -2.403 1.00 12.33 H new ATOM 0 HB3 MET A 486 -6.360 -9.392 -2.699 1.00 12.33 H new ATOM 0 HG2 MET A 486 -7.408 -8.296 -0.997 1.00 11.21 H new ATOM 0 HG3 MET A 486 -6.472 -9.414 -0.023 1.00 11.21 H new ATOM 0 HE1 MET A 486 -5.797 -4.948 -0.687 1.00 30.41 H new ATOM 0 HE2 MET A 486 -4.825 -5.954 -1.787 1.00 30.41 H new ATOM 0 HE3 MET A 486 -6.598 -6.110 -1.771 1.00 30.41 H new ATOM 92 N GLN A 487 -5.191 -12.085 -0.366 1.00 11.24 N ATOM 93 CA GLN A 487 -5.817 -13.375 -0.098 1.00 44.52 C ATOM 94 C GLN A 487 -6.096 -13.546 1.391 1.00 11.42 C ATOM 95 O GLN A 487 -5.712 -12.706 2.206 1.00 1.23 O ATOM 96 CB GLN A 487 -4.922 -14.512 -0.595 1.00 53.43 C ATOM 97 CG GLN A 487 -4.588 -14.420 -2.075 1.00 60.14 C ATOM 98 CD GLN A 487 -3.743 -15.583 -2.556 1.00 32.51 C ATOM 99 OE1 GLN A 487 -4.260 -16.662 -2.848 1.00 32.20 O ATOM 100 NE2 GLN A 487 -2.435 -15.370 -2.641 1.00 32.42 N ATOM 0 H GLN A 487 -4.657 -11.705 0.416 1.00 11.24 H new ATOM 0 HA GLN A 487 -6.766 -13.408 -0.633 1.00 44.52 H new ATOM 0 HB2 GLN A 487 -3.995 -14.511 -0.021 1.00 53.43 H new ATOM 0 HB3 GLN A 487 -5.416 -15.464 -0.401 1.00 53.43 H new ATOM 0 HG2 GLN A 487 -5.513 -14.385 -2.651 1.00 60.14 H new ATOM 0 HG3 GLN A 487 -4.058 -13.487 -2.267 1.00 60.14 H new ATOM 0 HE21 GLN A 487 -2.049 -14.460 -2.389 1.00 32.42 H new ATOM 0 HE22 GLN A 487 -1.816 -16.116 -2.958 1.00 32.42 H new ATOM 109 N LEU A 488 -6.767 -14.637 1.740 1.00 34.54 N ATOM 110 CA LEU A 488 -7.099 -14.919 3.133 1.00 72.12 C ATOM 111 C LEU A 488 -6.362 -16.159 3.628 1.00 31.31 C ATOM 112 O LEU A 488 -6.613 -17.271 3.162 1.00 52.24 O ATOM 113 CB LEU A 488 -8.608 -15.113 3.289 1.00 55.50 C ATOM 114 CG LEU A 488 -9.157 -14.989 4.711 1.00 55.03 C ATOM 115 CD1 LEU A 488 -8.948 -13.580 5.243 1.00 24.14 C ATOM 116 CD2 LEU A 488 -10.633 -15.361 4.747 1.00 43.40 C ATOM 0 H LEU A 488 -7.092 -15.342 1.078 1.00 34.54 H new ATOM 0 HA LEU A 488 -6.784 -14.067 3.735 1.00 72.12 H new ATOM 0 HB2 LEU A 488 -9.115 -14.381 2.660 1.00 55.50 H new ATOM 0 HB3 LEU A 488 -8.869 -16.099 2.905 1.00 55.50 H new ATOM 0 HG LEU A 488 -8.612 -15.682 5.352 1.00 55.03 H new ATOM 0 HD11 LEU A 488 -9.345 -13.511 6.256 1.00 24.14 H new ATOM 0 HD12 LEU A 488 -7.883 -13.350 5.254 1.00 24.14 H new ATOM 0 HD13 LEU A 488 -9.466 -12.868 4.601 1.00 24.14 H new ATOM 0 HD21 LEU A 488 -11.007 -15.267 5.766 1.00 43.40 H new ATOM 0 HD22 LEU A 488 -11.193 -14.693 4.092 1.00 43.40 H new ATOM 0 HD23 LEU A 488 -10.757 -16.390 4.408 1.00 43.40 H new ATOM 128 N TYR A 489 -5.454 -15.962 4.577 1.00 44.43 N ATOM 129 CA TYR A 489 -4.680 -17.064 5.135 1.00 3.25 C ATOM 130 C TYR A 489 -5.054 -17.308 6.594 1.00 13.11 C ATOM 131 O TYR A 489 -4.821 -16.461 7.457 1.00 62.03 O ATOM 132 CB TYR A 489 -3.182 -16.772 5.024 1.00 55.42 C ATOM 133 CG TYR A 489 -2.829 -15.849 3.879 1.00 14.44 C ATOM 134 CD1 TYR A 489 -2.869 -14.469 4.037 1.00 52.53 C ATOM 135 CD2 TYR A 489 -2.457 -16.356 2.641 1.00 70.11 C ATOM 136 CE1 TYR A 489 -2.548 -13.621 2.994 1.00 71.21 C ATOM 137 CE2 TYR A 489 -2.133 -15.516 1.593 1.00 61.50 C ATOM 138 CZ TYR A 489 -2.180 -14.150 1.774 1.00 12.12 C ATOM 139 OH TYR A 489 -1.859 -13.310 0.732 1.00 34.14 O ATOM 0 H TYR A 489 -5.236 -15.049 4.976 1.00 44.43 H new ATOM 0 HA TYR A 489 -4.912 -17.963 4.563 1.00 3.25 H new ATOM 0 HB2 TYR A 489 -2.837 -16.328 5.958 1.00 55.42 H new ATOM 0 HB3 TYR A 489 -2.645 -17.712 4.901 1.00 55.42 H new ATOM 0 HD1 TYR A 489 -3.156 -14.052 4.991 1.00 52.53 H new ATOM 0 HD2 TYR A 489 -2.420 -17.425 2.495 1.00 70.11 H new ATOM 0 HE1 TYR A 489 -2.585 -12.551 3.133 1.00 71.21 H new ATOM 0 HE2 TYR A 489 -1.844 -15.927 0.637 1.00 61.50 H new ATOM 0 HH TYR A 489 -1.621 -13.842 -0.056 1.00 34.14 H new ATOM 149 N ARG A 490 -5.636 -18.472 6.862 1.00 72.31 N ATOM 150 CA ARG A 490 -6.044 -18.829 8.215 1.00 31.33 C ATOM 151 C ARG A 490 -5.055 -19.808 8.841 1.00 3.00 C ATOM 152 O ARG A 490 -4.682 -20.808 8.226 1.00 52.52 O ATOM 153 CB ARG A 490 -7.446 -19.442 8.203 1.00 23.24 C ATOM 154 CG ARG A 490 -7.541 -20.730 7.402 1.00 64.02 C ATOM 155 CD ARG A 490 -7.677 -21.942 8.309 1.00 21.55 C ATOM 156 NE ARG A 490 -9.024 -22.506 8.272 1.00 1.51 N ATOM 157 CZ ARG A 490 -9.347 -23.674 8.814 1.00 31.32 C ATOM 158 NH1 ARG A 490 -8.425 -24.400 9.432 1.00 14.35 N ATOM 159 NH2 ARG A 490 -10.595 -24.120 8.739 1.00 2.40 N ATOM 0 H ARG A 490 -5.836 -19.184 6.160 1.00 72.31 H new ATOM 0 HA ARG A 490 -6.058 -17.919 8.815 1.00 31.33 H new ATOM 0 HB2 ARG A 490 -7.756 -19.639 9.229 1.00 23.24 H new ATOM 0 HB3 ARG A 490 -8.147 -18.716 7.792 1.00 23.24 H new ATOM 0 HG2 ARG A 490 -8.398 -20.679 6.730 1.00 64.02 H new ATOM 0 HG3 ARG A 490 -6.653 -20.838 6.779 1.00 64.02 H new ATOM 0 HD2 ARG A 490 -6.957 -22.703 8.007 1.00 21.55 H new ATOM 0 HD3 ARG A 490 -7.431 -21.658 9.332 1.00 21.55 H new ATOM 0 HE ARG A 490 -9.757 -21.973 7.804 1.00 1.51 H new ATOM 0 HH11 ARG A 490 -7.465 -24.061 9.492 1.00 14.35 H new ATOM 0 HH12 ARG A 490 -8.676 -25.297 9.847 1.00 14.35 H new ATOM 0 HH21 ARG A 490 -11.307 -23.565 8.264 1.00 2.40 H new ATOM 0 HH22 ARG A 490 -10.842 -25.018 9.156 1.00 2.40 H new ATOM 173 N ILE A 491 -4.633 -19.513 10.066 1.00 11.20 N ATOM 174 CA ILE A 491 -3.688 -20.367 10.774 1.00 2.34 C ATOM 175 C ILE A 491 -4.402 -21.254 11.788 1.00 23.24 C ATOM 176 O ILE A 491 -5.597 -21.096 12.032 1.00 33.14 O ATOM 177 CB ILE A 491 -2.615 -19.536 11.502 1.00 5.22 C ATOM 178 CG1 ILE A 491 -3.258 -18.670 12.587 1.00 42.50 C ATOM 179 CG2 ILE A 491 -1.851 -18.671 10.510 1.00 61.50 C ATOM 180 CD1 ILE A 491 -2.255 -17.918 13.434 1.00 24.52 C ATOM 0 H ILE A 491 -4.931 -18.689 10.589 1.00 11.20 H new ATOM 0 HA ILE A 491 -3.205 -20.993 10.024 1.00 2.34 H new ATOM 0 HB ILE A 491 -1.910 -20.218 11.978 1.00 5.22 H new ATOM 0 HG12 ILE A 491 -3.933 -17.955 12.117 1.00 42.50 H new ATOM 0 HG13 ILE A 491 -3.865 -19.304 13.234 1.00 42.50 H new ATOM 0 HG21 ILE A 491 -1.096 -18.090 11.040 1.00 61.50 H new ATOM 0 HG22 ILE A 491 -1.365 -19.308 9.771 1.00 61.50 H new ATOM 0 HG23 ILE A 491 -2.543 -17.995 10.008 1.00 61.50 H new ATOM 0 HD11 ILE A 491 -2.782 -17.325 14.182 1.00 24.52 H new ATOM 0 HD12 ILE A 491 -1.595 -18.628 13.933 1.00 24.52 H new ATOM 0 HD13 ILE A 491 -1.664 -17.258 12.799 1.00 24.52 H new ATOM 192 N GLU A 492 -3.659 -22.187 12.377 1.00 12.40 N ATOM 193 CA GLU A 492 -4.222 -23.099 13.366 1.00 41.41 C ATOM 194 C GLU A 492 -3.869 -22.651 14.782 1.00 71.35 C ATOM 195 O GLU A 492 -3.426 -23.452 15.605 1.00 4.52 O ATOM 196 CB GLU A 492 -3.713 -24.522 13.127 1.00 13.14 C ATOM 197 CG GLU A 492 -4.459 -25.577 13.927 1.00 11.22 C ATOM 198 CD GLU A 492 -3.572 -26.279 14.937 1.00 42.03 C ATOM 199 OE1 GLU A 492 -4.034 -26.508 16.074 1.00 13.21 O ATOM 200 OE2 GLU A 492 -2.416 -26.599 14.590 1.00 61.30 O ATOM 0 H GLU A 492 -2.667 -22.331 12.186 1.00 12.40 H new ATOM 0 HA GLU A 492 -5.307 -23.086 13.260 1.00 41.41 H new ATOM 0 HB2 GLU A 492 -3.797 -24.756 12.066 1.00 13.14 H new ATOM 0 HB3 GLU A 492 -2.654 -24.567 13.380 1.00 13.14 H new ATOM 0 HG2 GLU A 492 -5.295 -25.109 14.447 1.00 11.22 H new ATOM 0 HG3 GLU A 492 -4.880 -26.315 13.244 1.00 11.22 H new ATOM 207 N VAL A 493 -4.069 -21.366 15.057 1.00 71.21 N ATOM 208 CA VAL A 493 -3.773 -20.811 16.372 1.00 31.22 C ATOM 209 C VAL A 493 -4.858 -19.835 16.813 1.00 3.24 C ATOM 210 O VAL A 493 -5.339 -19.026 16.021 1.00 1.23 O ATOM 211 CB VAL A 493 -2.412 -20.089 16.384 1.00 75.44 C ATOM 212 CG1 VAL A 493 -1.989 -19.771 17.809 1.00 3.23 C ATOM 213 CG2 VAL A 493 -1.358 -20.930 15.680 1.00 22.55 C ATOM 0 H VAL A 493 -4.435 -20.690 14.386 1.00 71.21 H new ATOM 0 HA VAL A 493 -3.737 -21.649 17.068 1.00 31.22 H new ATOM 0 HB VAL A 493 -2.514 -19.148 15.843 1.00 75.44 H new ATOM 0 HG11 VAL A 493 -1.026 -19.261 17.797 1.00 3.23 H new ATOM 0 HG12 VAL A 493 -2.735 -19.127 18.275 1.00 3.23 H new ATOM 0 HG13 VAL A 493 -1.903 -20.697 18.378 1.00 3.23 H new ATOM 0 HG21 VAL A 493 -0.403 -20.405 15.697 1.00 22.55 H new ATOM 0 HG22 VAL A 493 -1.256 -21.887 16.191 1.00 22.55 H new ATOM 0 HG23 VAL A 493 -1.659 -21.101 14.646 1.00 22.55 H new ATOM 223 N GLY A 494 -5.238 -19.916 18.085 1.00 72.32 N ATOM 224 CA GLY A 494 -6.264 -19.034 18.610 1.00 5.13 C ATOM 225 C GLY A 494 -6.049 -18.703 20.074 1.00 51.32 C ATOM 226 O GLY A 494 -4.991 -18.991 20.634 1.00 53.12 O ATOM 0 H GLY A 494 -4.854 -20.576 18.761 1.00 72.32 H new ATOM 0 HA2 GLY A 494 -6.277 -18.111 18.030 1.00 5.13 H new ATOM 0 HA3 GLY A 494 -7.240 -19.503 18.486 1.00 5.13 H new ATOM 230 N ARG A 495 -7.054 -18.094 20.695 1.00 73.14 N ATOM 231 CA ARG A 495 -6.970 -17.721 22.101 1.00 5.43 C ATOM 232 C ARG A 495 -6.654 -18.936 22.968 1.00 14.15 C ATOM 233 O ARG A 495 -5.975 -18.823 23.989 1.00 63.52 O ATOM 234 CB ARG A 495 -8.280 -17.079 22.561 1.00 72.14 C ATOM 235 CG ARG A 495 -9.514 -17.890 22.200 1.00 12.10 C ATOM 236 CD ARG A 495 -10.759 -17.343 22.881 1.00 1.22 C ATOM 237 NE ARG A 495 -10.656 -17.400 24.337 1.00 72.41 N ATOM 238 CZ ARG A 495 -10.726 -18.529 25.034 1.00 11.35 C ATOM 239 NH1 ARG A 495 -10.897 -19.687 24.413 1.00 74.05 N ATOM 240 NH2 ARG A 495 -10.624 -18.500 26.357 1.00 10.22 N ATOM 0 H ARG A 495 -7.936 -17.849 20.246 1.00 73.14 H new ATOM 0 HA ARG A 495 -6.162 -16.998 22.211 1.00 5.43 H new ATOM 0 HB2 ARG A 495 -8.248 -16.943 23.642 1.00 72.14 H new ATOM 0 HB3 ARG A 495 -8.364 -16.087 22.117 1.00 72.14 H new ATOM 0 HG2 ARG A 495 -9.655 -17.879 21.119 1.00 12.10 H new ATOM 0 HG3 ARG A 495 -9.366 -18.930 22.492 1.00 12.10 H new ATOM 0 HD2 ARG A 495 -10.919 -16.311 22.569 1.00 1.22 H new ATOM 0 HD3 ARG A 495 -11.630 -17.913 22.557 1.00 1.22 H new ATOM 0 HE ARG A 495 -10.523 -16.526 24.846 1.00 72.41 H new ATOM 0 HH11 ARG A 495 -10.975 -19.714 23.396 1.00 74.05 H new ATOM 0 HH12 ARG A 495 -10.950 -20.552 24.952 1.00 74.05 H new ATOM 0 HH21 ARG A 495 -10.492 -17.611 26.839 1.00 10.22 H new ATOM 0 HH22 ARG A 495 -10.678 -19.367 26.892 1.00 10.22 H new ATOM 254 N ASP A 496 -7.153 -20.096 22.556 1.00 51.13 N ATOM 255 CA ASP A 496 -6.925 -21.333 23.294 1.00 4.51 C ATOM 256 C ASP A 496 -5.493 -21.823 23.102 1.00 20.33 C ATOM 257 O ASP A 496 -4.994 -22.634 23.883 1.00 12.23 O ATOM 258 CB ASP A 496 -7.911 -22.411 22.843 1.00 13.41 C ATOM 259 CG ASP A 496 -8.305 -23.344 23.971 1.00 5.03 C ATOM 260 OD1 ASP A 496 -8.678 -22.843 25.053 1.00 74.51 O ATOM 261 OD2 ASP A 496 -8.239 -24.575 23.772 1.00 12.13 O ATOM 0 H ASP A 496 -7.719 -20.206 21.714 1.00 51.13 H new ATOM 0 HA ASP A 496 -7.082 -21.130 24.353 1.00 4.51 H new ATOM 0 HB2 ASP A 496 -8.805 -21.936 22.440 1.00 13.41 H new ATOM 0 HB3 ASP A 496 -7.466 -22.991 22.034 1.00 13.41 H new ATOM 266 N ASP A 497 -4.838 -21.328 22.058 1.00 52.10 N ATOM 267 CA ASP A 497 -3.464 -21.716 21.763 1.00 3.11 C ATOM 268 C ASP A 497 -2.477 -20.725 22.373 1.00 62.22 C ATOM 269 O ASP A 497 -1.435 -21.115 22.898 1.00 21.01 O ATOM 270 CB ASP A 497 -3.249 -21.804 20.251 1.00 12.43 C ATOM 271 CG ASP A 497 -1.955 -22.505 19.890 1.00 23.20 C ATOM 272 OD1 ASP A 497 -0.986 -22.400 20.670 1.00 5.41 O ATOM 273 OD2 ASP A 497 -1.911 -23.159 18.827 1.00 64.13 O ATOM 0 H ASP A 497 -5.237 -20.657 21.401 1.00 52.10 H new ATOM 0 HA ASP A 497 -3.287 -22.697 22.204 1.00 3.11 H new ATOM 0 HB2 ASP A 497 -4.086 -22.336 19.798 1.00 12.43 H new ATOM 0 HB3 ASP A 497 -3.245 -20.799 19.829 1.00 12.43 H new ATOM 278 N GLY A 498 -2.812 -19.441 22.298 1.00 55.23 N ATOM 279 CA GLY A 498 -1.945 -18.414 22.845 1.00 61.11 C ATOM 280 C GLY A 498 -1.754 -17.249 21.894 1.00 22.20 C ATOM 281 O GLY A 498 -0.678 -16.654 21.838 1.00 2.34 O ATOM 0 H GLY A 498 -3.669 -19.093 21.868 1.00 55.23 H new ATOM 0 HA2 GLY A 498 -2.366 -18.049 23.782 1.00 61.11 H new ATOM 0 HA3 GLY A 498 -0.974 -18.850 23.080 1.00 61.11 H new ATOM 285 N VAL A 499 -2.800 -16.924 21.142 1.00 53.52 N ATOM 286 CA VAL A 499 -2.743 -15.822 20.188 1.00 61.53 C ATOM 287 C VAL A 499 -4.008 -14.974 20.251 1.00 60.12 C ATOM 288 O VAL A 499 -5.088 -15.476 20.560 1.00 11.21 O ATOM 289 CB VAL A 499 -2.554 -16.337 18.748 1.00 1.41 C ATOM 290 CG1 VAL A 499 -3.869 -16.858 18.190 1.00 15.40 C ATOM 291 CG2 VAL A 499 -1.986 -15.239 17.861 1.00 14.20 C ATOM 0 H VAL A 499 -3.697 -17.408 21.174 1.00 53.52 H new ATOM 0 HA VAL A 499 -1.885 -15.209 20.463 1.00 61.53 H new ATOM 0 HB VAL A 499 -1.843 -17.163 18.766 1.00 1.41 H new ATOM 0 HG11 VAL A 499 -3.716 -17.217 17.172 1.00 15.40 H new ATOM 0 HG12 VAL A 499 -4.230 -17.676 18.813 1.00 15.40 H new ATOM 0 HG13 VAL A 499 -4.605 -16.054 18.184 1.00 15.40 H new ATOM 0 HG21 VAL A 499 -1.859 -15.619 16.848 1.00 14.20 H new ATOM 0 HG22 VAL A 499 -2.671 -14.392 17.847 1.00 14.20 H new ATOM 0 HG23 VAL A 499 -1.020 -14.918 18.252 1.00 14.20 H new ATOM 301 N GLU A 500 -3.866 -13.686 19.955 1.00 45.11 N ATOM 302 CA GLU A 500 -4.998 -12.768 19.978 1.00 10.35 C ATOM 303 C GLU A 500 -5.106 -12.003 18.663 1.00 43.45 C ATOM 304 O GLU A 500 -4.372 -12.274 17.712 1.00 2.40 O ATOM 305 CB GLU A 500 -4.862 -11.784 21.143 1.00 63.50 C ATOM 306 CG GLU A 500 -4.369 -12.428 22.428 1.00 2.22 C ATOM 307 CD GLU A 500 -5.197 -13.631 22.833 1.00 34.52 C ATOM 308 OE1 GLU A 500 -6.391 -13.680 22.467 1.00 45.11 O ATOM 309 OE2 GLU A 500 -4.654 -14.524 23.516 1.00 23.30 O ATOM 0 H GLU A 500 -2.978 -13.255 19.697 1.00 45.11 H new ATOM 0 HA GLU A 500 -5.906 -13.356 20.112 1.00 10.35 H new ATOM 0 HB2 GLU A 500 -4.174 -10.989 20.858 1.00 63.50 H new ATOM 0 HB3 GLU A 500 -5.829 -11.317 21.328 1.00 63.50 H new ATOM 0 HG2 GLU A 500 -3.330 -12.733 22.302 1.00 2.22 H new ATOM 0 HG3 GLU A 500 -4.390 -11.691 23.231 1.00 2.22 H new ATOM 316 N VAL A 501 -6.027 -11.045 18.615 1.00 62.30 N ATOM 317 CA VAL A 501 -6.231 -10.240 17.417 1.00 73.12 C ATOM 318 C VAL A 501 -5.136 -9.190 17.267 1.00 54.10 C ATOM 319 O VAL A 501 -4.746 -8.840 16.153 1.00 22.21 O ATOM 320 CB VAL A 501 -7.602 -9.537 17.440 1.00 23.41 C ATOM 321 CG1 VAL A 501 -7.762 -8.639 16.223 1.00 0.02 C ATOM 322 CG2 VAL A 501 -8.724 -10.562 17.508 1.00 12.22 C ATOM 0 H VAL A 501 -6.643 -10.808 19.392 1.00 62.30 H new ATOM 0 HA VAL A 501 -6.195 -10.922 16.567 1.00 73.12 H new ATOM 0 HB VAL A 501 -7.656 -8.912 18.332 1.00 23.41 H new ATOM 0 HG11 VAL A 501 -8.736 -8.151 16.256 1.00 0.02 H new ATOM 0 HG12 VAL A 501 -6.977 -7.883 16.223 1.00 0.02 H new ATOM 0 HG13 VAL A 501 -7.688 -9.239 15.316 1.00 0.02 H new ATOM 0 HG21 VAL A 501 -9.685 -10.049 17.524 1.00 12.22 H new ATOM 0 HG22 VAL A 501 -8.675 -11.214 16.636 1.00 12.22 H new ATOM 0 HG23 VAL A 501 -8.617 -11.159 18.414 1.00 12.22 H new ATOM 332 N ARG A 502 -4.645 -8.691 18.396 1.00 5.42 N ATOM 333 CA ARG A 502 -3.594 -7.679 18.391 1.00 74.32 C ATOM 334 C ARG A 502 -2.214 -8.329 18.367 1.00 60.04 C ATOM 335 O ARG A 502 -1.193 -7.641 18.327 1.00 31.40 O ATOM 336 CB ARG A 502 -3.722 -6.774 19.617 1.00 34.13 C ATOM 337 CG ARG A 502 -3.725 -7.531 20.935 1.00 21.13 C ATOM 338 CD ARG A 502 -3.487 -6.599 22.113 1.00 25.43 C ATOM 339 NE ARG A 502 -2.071 -6.509 22.462 1.00 52.43 N ATOM 340 CZ ARG A 502 -1.574 -5.590 23.282 1.00 43.43 C ATOM 341 NH1 ARG A 502 -2.373 -4.688 23.835 1.00 3.21 N ATOM 342 NH2 ARG A 502 -0.274 -5.572 23.550 1.00 13.22 N ATOM 0 H ARG A 502 -4.957 -8.970 19.326 1.00 5.42 H new ATOM 0 HA ARG A 502 -3.709 -7.076 17.490 1.00 74.32 H new ATOM 0 HB2 ARG A 502 -2.898 -6.061 19.619 1.00 34.13 H new ATOM 0 HB3 ARG A 502 -4.643 -6.197 19.537 1.00 34.13 H new ATOM 0 HG2 ARG A 502 -4.680 -8.041 21.061 1.00 21.13 H new ATOM 0 HG3 ARG A 502 -2.953 -8.300 20.916 1.00 21.13 H new ATOM 0 HD2 ARG A 502 -3.865 -5.606 21.871 1.00 25.43 H new ATOM 0 HD3 ARG A 502 -4.051 -6.953 22.976 1.00 25.43 H new ATOM 0 HE ARG A 502 -1.429 -7.189 22.054 1.00 52.43 H new ATOM 0 HH11 ARG A 502 -3.372 -4.699 23.631 1.00 3.21 H new ATOM 0 HH12 ARG A 502 -1.988 -3.983 24.464 1.00 3.21 H new ATOM 0 HH21 ARG A 502 0.344 -6.264 23.126 1.00 13.22 H new ATOM 0 HH22 ARG A 502 0.107 -4.866 24.180 1.00 13.22 H new ATOM 356 N HIS A 503 -2.190 -9.658 18.391 1.00 15.13 N ATOM 357 CA HIS A 503 -0.935 -10.401 18.372 1.00 14.22 C ATOM 358 C HIS A 503 -0.429 -10.575 16.944 1.00 70.35 C ATOM 359 O HIS A 503 0.685 -10.166 16.616 1.00 63.43 O ATOM 360 CB HIS A 503 -1.118 -11.768 19.032 1.00 64.14 C ATOM 361 CG HIS A 503 0.098 -12.246 19.765 1.00 15.15 C ATOM 362 ND1 HIS A 503 0.045 -13.174 20.784 1.00 1.32 N ATOM 363 CD2 HIS A 503 1.403 -11.920 19.622 1.00 24.01 C ATOM 364 CE1 HIS A 503 1.266 -13.397 21.237 1.00 40.41 C ATOM 365 NE2 HIS A 503 2.109 -12.648 20.548 1.00 31.51 N ATOM 0 H HIS A 503 -3.025 -10.242 18.424 1.00 15.13 H new ATOM 0 HA HIS A 503 -0.195 -9.831 18.934 1.00 14.22 H new ATOM 0 HB2 HIS A 503 -1.955 -11.717 19.728 1.00 64.14 H new ATOM 0 HB3 HIS A 503 -1.382 -12.499 18.268 1.00 64.14 H new ATOM 0 HD2 HIS A 503 1.813 -11.218 18.912 1.00 24.01 H new ATOM 0 HE1 HIS A 503 1.530 -14.076 22.034 1.00 40.41 H new ATOM 0 HE2 HIS A 503 3.120 -12.616 20.682 1.00 31.51 H new ATOM 373 N ILE A 504 -1.254 -11.185 16.099 1.00 41.10 N ATOM 374 CA ILE A 504 -0.889 -11.413 14.706 1.00 12.22 C ATOM 375 C ILE A 504 -0.873 -10.105 13.921 1.00 21.53 C ATOM 376 O ILE A 504 -0.174 -9.981 12.915 1.00 32.43 O ATOM 377 CB ILE A 504 -1.859 -12.396 14.024 1.00 3.00 C ATOM 378 CG1 ILE A 504 -3.164 -11.687 13.657 1.00 31.22 C ATOM 379 CG2 ILE A 504 -2.133 -13.586 14.932 1.00 45.40 C ATOM 380 CD1 ILE A 504 -4.021 -11.342 14.855 1.00 52.42 C ATOM 0 H ILE A 504 -2.179 -11.530 16.355 1.00 41.10 H new ATOM 0 HA ILE A 504 0.112 -11.845 14.708 1.00 12.22 H new ATOM 0 HB ILE A 504 -1.397 -12.762 13.107 1.00 3.00 H new ATOM 0 HG12 ILE A 504 -2.930 -10.772 13.112 1.00 31.22 H new ATOM 0 HG13 ILE A 504 -3.736 -12.323 12.982 1.00 31.22 H new ATOM 0 HG21 ILE A 504 -2.820 -14.272 14.436 1.00 45.40 H new ATOM 0 HG22 ILE A 504 -1.198 -14.102 15.147 1.00 45.40 H new ATOM 0 HG23 ILE A 504 -2.578 -13.238 15.864 1.00 45.40 H new ATOM 0 HD11 ILE A 504 -4.930 -10.842 14.520 1.00 52.42 H new ATOM 0 HD12 ILE A 504 -4.285 -12.255 15.389 1.00 52.42 H new ATOM 0 HD13 ILE A 504 -3.467 -10.680 15.521 1.00 52.42 H new ATOM 392 N VAL A 505 -1.646 -9.131 14.389 1.00 14.12 N ATOM 393 CA VAL A 505 -1.719 -7.831 13.733 1.00 10.22 C ATOM 394 C VAL A 505 -0.522 -6.962 14.101 1.00 3.13 C ATOM 395 O VAL A 505 0.232 -6.525 13.233 1.00 53.54 O ATOM 396 CB VAL A 505 -3.014 -7.086 14.106 1.00 13.52 C ATOM 397 CG1 VAL A 505 -2.964 -5.647 13.614 1.00 24.20 C ATOM 398 CG2 VAL A 505 -4.227 -7.809 13.540 1.00 63.01 C ATOM 0 H VAL A 505 -2.231 -9.217 15.220 1.00 14.12 H new ATOM 0 HA VAL A 505 -1.713 -8.018 12.659 1.00 10.22 H new ATOM 0 HB VAL A 505 -3.103 -7.071 15.192 1.00 13.52 H new ATOM 0 HG11 VAL A 505 -3.888 -5.137 13.887 1.00 24.20 H new ATOM 0 HG12 VAL A 505 -2.118 -5.135 14.072 1.00 24.20 H new ATOM 0 HG13 VAL A 505 -2.851 -5.637 12.530 1.00 24.20 H new ATOM 0 HG21 VAL A 505 -5.133 -7.268 13.813 1.00 63.01 H new ATOM 0 HG22 VAL A 505 -4.147 -7.858 12.454 1.00 63.01 H new ATOM 0 HG23 VAL A 505 -4.271 -8.819 13.946 1.00 63.01 H new ATOM 408 N GLY A 506 -0.352 -6.716 15.397 1.00 41.41 N ATOM 409 CA GLY A 506 0.756 -5.900 15.858 1.00 43.00 C ATOM 410 C GLY A 506 2.103 -6.500 15.507 1.00 23.34 C ATOM 411 O GLY A 506 3.113 -5.798 15.471 1.00 51.31 O ATOM 0 H GLY A 506 -0.962 -7.067 16.135 1.00 41.41 H new ATOM 0 HA2 GLY A 506 0.679 -4.906 15.418 1.00 43.00 H new ATOM 0 HA3 GLY A 506 0.687 -5.776 16.939 1.00 43.00 H new ATOM 415 N ALA A 507 2.119 -7.804 15.250 1.00 24.14 N ATOM 416 CA ALA A 507 3.352 -8.499 14.901 1.00 43.42 C ATOM 417 C ALA A 507 3.788 -8.162 13.479 1.00 75.45 C ATOM 418 O ALA A 507 4.901 -7.686 13.257 1.00 41.14 O ATOM 419 CB ALA A 507 3.175 -10.001 15.059 1.00 34.42 C ATOM 0 H ALA A 507 1.292 -8.400 15.277 1.00 24.14 H new ATOM 0 HA ALA A 507 4.134 -8.164 15.582 1.00 43.42 H new ATOM 0 HB1 ALA A 507 4.104 -10.507 14.795 1.00 34.42 H new ATOM 0 HB2 ALA A 507 2.918 -10.230 16.093 1.00 34.42 H new ATOM 0 HB3 ALA A 507 2.376 -10.344 14.402 1.00 34.42 H new ATOM 425 N ILE A 508 2.903 -8.414 12.519 1.00 24.12 N ATOM 426 CA ILE A 508 3.197 -8.137 11.119 1.00 61.34 C ATOM 427 C ILE A 508 3.169 -6.639 10.837 1.00 41.03 C ATOM 428 O ILE A 508 3.841 -6.156 9.926 1.00 2.21 O ATOM 429 CB ILE A 508 2.197 -8.843 10.184 1.00 42.04 C ATOM 430 CG1 ILE A 508 0.775 -8.348 10.455 1.00 41.33 C ATOM 431 CG2 ILE A 508 2.281 -10.352 10.360 1.00 2.21 C ATOM 432 CD1 ILE A 508 0.358 -7.193 9.570 1.00 24.45 C ATOM 0 H ILE A 508 1.978 -8.809 12.686 1.00 24.12 H new ATOM 0 HA ILE A 508 4.198 -8.522 10.925 1.00 61.34 H new ATOM 0 HB ILE A 508 2.455 -8.602 9.153 1.00 42.04 H new ATOM 0 HG12 ILE A 508 0.078 -9.174 10.313 1.00 41.33 H new ATOM 0 HG13 ILE A 508 0.698 -8.042 11.498 1.00 41.33 H new ATOM 0 HG21 ILE A 508 1.568 -10.836 9.693 1.00 2.21 H new ATOM 0 HG22 ILE A 508 3.289 -10.691 10.122 1.00 2.21 H new ATOM 0 HG23 ILE A 508 2.046 -10.612 11.392 1.00 2.21 H new ATOM 0 HD11 ILE A 508 -0.661 -6.894 9.817 1.00 24.45 H new ATOM 0 HD12 ILE A 508 1.032 -6.351 9.729 1.00 24.45 H new ATOM 0 HD13 ILE A 508 0.402 -7.501 8.525 1.00 24.45 H new ATOM 444 N ALA A 509 2.388 -5.909 11.626 1.00 51.54 N ATOM 445 CA ALA A 509 2.275 -4.464 11.464 1.00 62.34 C ATOM 446 C ALA A 509 3.512 -3.753 12.002 1.00 21.31 C ATOM 447 O ALA A 509 3.826 -2.637 11.592 1.00 53.14 O ATOM 448 CB ALA A 509 1.024 -3.951 12.161 1.00 72.25 C ATOM 0 H ALA A 509 1.824 -6.294 12.384 1.00 51.54 H new ATOM 0 HA ALA A 509 2.198 -4.248 10.398 1.00 62.34 H new ATOM 0 HB1 ALA A 509 0.953 -2.871 12.032 1.00 72.25 H new ATOM 0 HB2 ALA A 509 0.145 -4.427 11.727 1.00 72.25 H new ATOM 0 HB3 ALA A 509 1.077 -4.187 13.224 1.00 72.25 H new ATOM 454 N ASN A 510 4.211 -4.408 12.924 1.00 13.33 N ATOM 455 CA ASN A 510 5.413 -3.837 13.520 1.00 2.30 C ATOM 456 C ASN A 510 6.664 -4.332 12.801 1.00 24.54 C ATOM 457 O ASN A 510 7.696 -3.661 12.797 1.00 73.43 O ATOM 458 CB ASN A 510 5.490 -4.193 15.006 1.00 71.30 C ATOM 459 CG ASN A 510 6.627 -3.482 15.713 1.00 2.12 C ATOM 460 OD1 ASN A 510 7.060 -2.408 15.293 1.00 35.41 O ATOM 461 ND2 ASN A 510 7.118 -4.079 16.793 1.00 12.12 N ATOM 0 H ASN A 510 3.966 -5.334 13.274 1.00 13.33 H new ATOM 0 HA ASN A 510 5.360 -2.753 13.416 1.00 2.30 H new ATOM 0 HB2 ASN A 510 4.547 -3.934 15.488 1.00 71.30 H new ATOM 0 HB3 ASN A 510 5.617 -5.270 15.113 1.00 71.30 H new ATOM 0 HD21 ASN A 510 7.884 -3.648 17.310 1.00 12.12 H new ATOM 0 HD22 ASN A 510 6.729 -4.969 17.105 1.00 12.12 H new ATOM 468 N GLU A 511 6.564 -5.511 12.195 1.00 61.30 N ATOM 469 CA GLU A 511 7.688 -6.096 11.473 1.00 20.44 C ATOM 470 C GLU A 511 7.976 -5.319 10.193 1.00 45.34 C ATOM 471 O GLU A 511 9.121 -4.967 9.912 1.00 43.34 O ATOM 472 CB GLU A 511 7.401 -7.562 11.140 1.00 42.13 C ATOM 473 CG GLU A 511 7.704 -8.517 12.282 1.00 14.22 C ATOM 474 CD GLU A 511 9.174 -8.538 12.651 1.00 64.54 C ATOM 475 OE1 GLU A 511 9.928 -9.322 12.035 1.00 10.51 O ATOM 476 OE2 GLU A 511 9.572 -7.773 13.554 1.00 73.42 O ATOM 0 H GLU A 511 5.717 -6.079 12.190 1.00 61.30 H new ATOM 0 HA GLU A 511 8.567 -6.042 12.115 1.00 20.44 H new ATOM 0 HB2 GLU A 511 6.352 -7.664 10.861 1.00 42.13 H new ATOM 0 HB3 GLU A 511 7.991 -7.850 10.270 1.00 42.13 H new ATOM 0 HG2 GLU A 511 7.118 -8.230 13.155 1.00 14.22 H new ATOM 0 HG3 GLU A 511 7.389 -9.522 12.003 1.00 14.22 H new ATOM 483 N GLY A 512 6.928 -5.055 9.419 1.00 41.45 N ATOM 484 CA GLY A 512 7.089 -4.321 8.177 1.00 71.45 C ATOM 485 C GLY A 512 6.426 -2.959 8.218 1.00 42.23 C ATOM 486 O GLY A 512 6.332 -2.338 9.277 1.00 63.41 O ATOM 0 H GLY A 512 5.970 -5.336 9.630 1.00 41.45 H new ATOM 0 HA2 GLY A 512 8.151 -4.198 7.966 1.00 71.45 H new ATOM 0 HA3 GLY A 512 6.667 -4.903 7.358 1.00 71.45 H new ATOM 490 N ASP A 513 5.967 -2.491 7.062 1.00 20.02 N ATOM 491 CA ASP A 513 5.310 -1.192 6.970 1.00 21.30 C ATOM 492 C ASP A 513 3.808 -1.326 7.198 1.00 54.04 C ATOM 493 O ASP A 513 3.111 -0.332 7.404 1.00 34.13 O ATOM 494 CB ASP A 513 5.577 -0.558 5.604 1.00 1.33 C ATOM 495 CG ASP A 513 6.830 0.297 5.598 1.00 74.42 C ATOM 496 OD1 ASP A 513 7.102 0.944 4.565 1.00 74.45 O ATOM 497 OD2 ASP A 513 7.537 0.319 6.626 1.00 23.12 O ATOM 0 H ASP A 513 6.038 -2.992 6.176 1.00 20.02 H new ATOM 0 HA ASP A 513 5.721 -0.548 7.747 1.00 21.30 H new ATOM 0 HB2 ASP A 513 5.673 -1.344 4.854 1.00 1.33 H new ATOM 0 HB3 ASP A 513 4.722 0.054 5.317 1.00 1.33 H new ATOM 502 N ILE A 514 3.316 -2.560 7.157 1.00 13.41 N ATOM 503 CA ILE A 514 1.896 -2.822 7.359 1.00 63.51 C ATOM 504 C ILE A 514 1.390 -2.158 8.635 1.00 62.22 C ATOM 505 O ILE A 514 2.103 -2.091 9.636 1.00 15.34 O ATOM 506 CB ILE A 514 1.608 -4.334 7.431 1.00 4.34 C ATOM 507 CG1 ILE A 514 2.058 -5.023 6.142 1.00 60.15 C ATOM 508 CG2 ILE A 514 0.128 -4.579 7.681 1.00 31.44 C ATOM 509 CD1 ILE A 514 2.313 -6.505 6.306 1.00 74.14 C ATOM 0 H ILE A 514 3.879 -3.393 6.986 1.00 13.41 H new ATOM 0 HA ILE A 514 1.372 -2.400 6.501 1.00 63.51 H new ATOM 0 HB ILE A 514 2.172 -4.758 8.262 1.00 4.34 H new ATOM 0 HG12 ILE A 514 1.296 -4.876 5.376 1.00 60.15 H new ATOM 0 HG13 ILE A 514 2.968 -4.544 5.782 1.00 60.15 H new ATOM 0 HG21 ILE A 514 -0.060 -5.652 7.729 1.00 31.44 H new ATOM 0 HG22 ILE A 514 -0.163 -4.117 8.624 1.00 31.44 H new ATOM 0 HG23 ILE A 514 -0.455 -4.145 6.869 1.00 31.44 H new ATOM 0 HD11 ILE A 514 2.629 -6.928 5.352 1.00 74.14 H new ATOM 0 HD12 ILE A 514 3.096 -6.659 7.048 1.00 74.14 H new ATOM 0 HD13 ILE A 514 1.398 -6.997 6.636 1.00 74.14 H new ATOM 521 N SER A 515 0.155 -1.670 8.591 1.00 35.23 N ATOM 522 CA SER A 515 -0.447 -1.009 9.743 1.00 32.14 C ATOM 523 C SER A 515 -1.673 -1.776 10.230 1.00 12.44 C ATOM 524 O SER A 515 -2.178 -2.663 9.542 1.00 10.35 O ATOM 525 CB SER A 515 -0.837 0.427 9.388 1.00 74.22 C ATOM 526 OG SER A 515 -0.752 1.274 10.521 1.00 64.05 O ATOM 0 H SER A 515 -0.449 -1.720 7.770 1.00 35.23 H new ATOM 0 HA SER A 515 0.290 -0.989 10.546 1.00 32.14 H new ATOM 0 HB2 SER A 515 -0.182 0.801 8.601 1.00 74.22 H new ATOM 0 HB3 SER A 515 -1.853 0.444 8.993 1.00 74.22 H new ATOM 0 HG SER A 515 -1.005 2.186 10.267 1.00 64.05 H new ATOM 532 N SER A 516 -2.147 -1.426 11.422 1.00 22.12 N ATOM 533 CA SER A 516 -3.311 -2.083 12.005 1.00 52.14 C ATOM 534 C SER A 516 -4.558 -1.823 11.164 1.00 30.54 C ATOM 535 O SER A 516 -5.506 -2.608 11.182 1.00 33.44 O ATOM 536 CB SER A 516 -3.536 -1.593 13.436 1.00 33.24 C ATOM 537 OG SER A 516 -2.605 -2.181 14.329 1.00 52.34 O ATOM 0 H SER A 516 -1.743 -0.691 12.003 1.00 22.12 H new ATOM 0 HA SER A 516 -3.122 -3.156 12.022 1.00 52.14 H new ATOM 0 HB2 SER A 516 -3.443 -0.508 13.471 1.00 33.24 H new ATOM 0 HB3 SER A 516 -4.551 -1.836 13.752 1.00 33.24 H new ATOM 0 HG SER A 516 -2.769 -1.850 15.237 1.00 52.34 H new ATOM 543 N ARG A 517 -4.548 -0.717 10.429 1.00 15.50 N ATOM 544 CA ARG A 517 -5.678 -0.352 9.583 1.00 52.23 C ATOM 545 C ARG A 517 -5.470 -0.847 8.154 1.00 4.44 C ATOM 546 O ARG A 517 -6.429 -1.158 7.448 1.00 22.22 O ATOM 547 CB ARG A 517 -5.875 1.165 9.585 1.00 53.25 C ATOM 548 CG ARG A 517 -4.625 1.942 9.206 1.00 51.30 C ATOM 549 CD ARG A 517 -4.958 3.369 8.797 1.00 31.42 C ATOM 550 NE ARG A 517 -5.843 4.021 9.759 1.00 42.24 N ATOM 551 CZ ARG A 517 -6.512 5.139 9.500 1.00 3.55 C ATOM 552 NH1 ARG A 517 -6.397 5.726 8.317 1.00 11.21 N ATOM 553 NH2 ARG A 517 -7.297 5.673 10.427 1.00 35.11 N ATOM 0 H ARG A 517 -3.770 -0.058 10.402 1.00 15.50 H new ATOM 0 HA ARG A 517 -6.571 -0.828 9.988 1.00 52.23 H new ATOM 0 HB2 ARG A 517 -6.675 1.420 8.890 1.00 53.25 H new ATOM 0 HB3 ARG A 517 -6.201 1.479 10.576 1.00 53.25 H new ATOM 0 HG2 ARG A 517 -3.934 1.956 10.049 1.00 51.30 H new ATOM 0 HG3 ARG A 517 -4.116 1.437 8.385 1.00 51.30 H new ATOM 0 HD2 ARG A 517 -4.037 3.944 8.704 1.00 31.42 H new ATOM 0 HD3 ARG A 517 -5.431 3.364 7.815 1.00 31.42 H new ATOM 0 HE ARG A 517 -5.953 3.595 10.679 1.00 42.24 H new ATOM 0 HH11 ARG A 517 -5.793 5.319 7.602 1.00 11.21 H new ATOM 0 HH12 ARG A 517 -6.912 6.584 8.121 1.00 11.21 H new ATOM 0 HH21 ARG A 517 -7.387 5.225 11.339 1.00 35.11 H new ATOM 0 HH22 ARG A 517 -7.810 6.531 10.228 1.00 35.11 H new ATOM 567 N TYR A 518 -4.211 -0.916 7.736 1.00 42.42 N ATOM 568 CA TYR A 518 -3.876 -1.369 6.391 1.00 33.52 C ATOM 569 C TYR A 518 -4.309 -2.817 6.182 1.00 61.44 C ATOM 570 O TYR A 518 -4.713 -3.203 5.084 1.00 21.42 O ATOM 571 CB TYR A 518 -2.373 -1.234 6.144 1.00 40.33 C ATOM 572 CG TYR A 518 -2.034 -0.531 4.849 1.00 65.14 C ATOM 573 CD1 TYR A 518 -2.617 -0.922 3.650 1.00 44.34 C ATOM 574 CD2 TYR A 518 -1.130 0.524 4.824 1.00 11.55 C ATOM 575 CE1 TYR A 518 -2.309 -0.283 2.464 1.00 3.01 C ATOM 576 CE2 TYR A 518 -0.817 1.170 3.644 1.00 54.12 C ATOM 577 CZ TYR A 518 -1.409 0.762 2.466 1.00 2.43 C ATOM 578 OH TYR A 518 -1.101 1.402 1.288 1.00 45.23 O ATOM 0 H TYR A 518 -3.406 -0.664 8.309 1.00 42.42 H new ATOM 0 HA TYR A 518 -4.412 -0.741 5.679 1.00 33.52 H new ATOM 0 HB2 TYR A 518 -1.925 -0.687 6.973 1.00 40.33 H new ATOM 0 HB3 TYR A 518 -1.924 -2.227 6.137 1.00 40.33 H new ATOM 0 HD1 TYR A 518 -3.323 -1.739 3.645 1.00 44.34 H new ATOM 0 HD2 TYR A 518 -0.664 0.845 5.744 1.00 11.55 H new ATOM 0 HE1 TYR A 518 -2.771 -0.600 1.541 1.00 3.01 H new ATOM 0 HE2 TYR A 518 -0.113 1.989 3.643 1.00 54.12 H new ATOM 0 HH TYR A 518 -0.452 2.115 1.463 1.00 45.23 H new ATOM 588 N ILE A 519 -4.221 -3.613 7.242 1.00 74.42 N ATOM 589 CA ILE A 519 -4.605 -5.018 7.176 1.00 71.14 C ATOM 590 C ILE A 519 -6.085 -5.169 6.839 1.00 2.54 C ATOM 591 O ILE A 519 -6.915 -4.372 7.275 1.00 33.20 O ATOM 592 CB ILE A 519 -4.315 -5.744 8.503 1.00 73.04 C ATOM 593 CG1 ILE A 519 -2.825 -5.660 8.840 1.00 33.12 C ATOM 594 CG2 ILE A 519 -4.765 -7.195 8.422 1.00 63.25 C ATOM 595 CD1 ILE A 519 -2.551 -5.442 10.312 1.00 65.43 C ATOM 0 H ILE A 519 -3.887 -3.309 8.157 1.00 74.42 H new ATOM 0 HA ILE A 519 -4.007 -5.471 6.385 1.00 71.14 H new ATOM 0 HB ILE A 519 -4.876 -5.254 9.299 1.00 73.04 H new ATOM 0 HG12 ILE A 519 -2.336 -6.580 8.520 1.00 33.12 H new ATOM 0 HG13 ILE A 519 -2.377 -4.846 8.271 1.00 33.12 H new ATOM 0 HG21 ILE A 519 -4.553 -7.695 9.367 1.00 63.25 H new ATOM 0 HG22 ILE A 519 -5.836 -7.233 8.223 1.00 63.25 H new ATOM 0 HG23 ILE A 519 -4.228 -7.698 7.618 1.00 63.25 H new ATOM 0 HD11 ILE A 519 -1.475 -5.392 10.478 1.00 65.43 H new ATOM 0 HD12 ILE A 519 -3.011 -4.508 10.633 1.00 65.43 H new ATOM 0 HD13 ILE A 519 -2.969 -6.269 10.886 1.00 65.43 H new ATOM 607 N GLY A 520 -6.408 -6.198 6.062 1.00 50.31 N ATOM 608 CA GLY A 520 -7.788 -6.435 5.682 1.00 72.44 C ATOM 609 C GLY A 520 -8.618 -6.985 6.825 1.00 52.11 C ATOM 610 O GLY A 520 -8.725 -6.360 7.879 1.00 55.10 O ATOM 0 H GLY A 520 -5.739 -6.871 5.689 1.00 50.31 H new ATOM 0 HA2 GLY A 520 -8.230 -5.502 5.332 1.00 72.44 H new ATOM 0 HA3 GLY A 520 -7.817 -7.135 4.847 1.00 72.44 H new ATOM 614 N ASN A 521 -9.208 -8.157 6.616 1.00 73.35 N ATOM 615 CA ASN A 521 -10.035 -8.790 7.637 1.00 52.12 C ATOM 616 C ASN A 521 -9.215 -9.768 8.472 1.00 4.44 C ATOM 617 O ASN A 521 -8.542 -10.647 7.934 1.00 61.30 O ATOM 618 CB ASN A 521 -11.213 -9.520 6.989 1.00 55.44 C ATOM 619 CG ASN A 521 -12.091 -8.590 6.173 1.00 14.02 C ATOM 620 OD1 ASN A 521 -13.141 -8.143 6.637 1.00 23.51 O ATOM 621 ND2 ASN A 521 -11.665 -8.294 4.951 1.00 62.31 N ATOM 0 H ASN A 521 -9.129 -8.688 5.749 1.00 73.35 H new ATOM 0 HA ASN A 521 -10.417 -8.009 8.294 1.00 52.12 H new ATOM 0 HB2 ASN A 521 -10.835 -10.315 6.347 1.00 55.44 H new ATOM 0 HB3 ASN A 521 -11.814 -9.995 7.765 1.00 55.44 H new ATOM 0 HD21 ASN A 521 -12.214 -7.674 4.356 1.00 62.31 H new ATOM 0 HD22 ASN A 521 -10.789 -8.687 4.607 1.00 62.31 H new ATOM 628 N ILE A 522 -9.276 -9.607 9.790 1.00 23.40 N ATOM 629 CA ILE A 522 -8.540 -10.477 10.700 1.00 40.33 C ATOM 630 C ILE A 522 -9.484 -11.192 11.660 1.00 21.40 C ATOM 631 O ILE A 522 -10.277 -10.559 12.357 1.00 43.41 O ATOM 632 CB ILE A 522 -7.499 -9.687 11.514 1.00 3.24 C ATOM 633 CG1 ILE A 522 -6.672 -8.788 10.592 1.00 32.31 C ATOM 634 CG2 ILE A 522 -6.595 -10.639 12.284 1.00 15.32 C ATOM 635 CD1 ILE A 522 -6.995 -7.317 10.733 1.00 32.34 C ATOM 0 H ILE A 522 -9.827 -8.883 10.251 1.00 23.40 H new ATOM 0 HA ILE A 522 -8.025 -11.215 10.085 1.00 40.33 H new ATOM 0 HB ILE A 522 -8.024 -9.055 12.231 1.00 3.24 H new ATOM 0 HG12 ILE A 522 -5.614 -8.941 10.803 1.00 32.31 H new ATOM 0 HG13 ILE A 522 -6.838 -9.091 9.558 1.00 32.31 H new ATOM 0 HG21 ILE A 522 -5.864 -10.066 12.854 1.00 15.32 H new ATOM 0 HG22 ILE A 522 -7.196 -11.241 12.966 1.00 15.32 H new ATOM 0 HG23 ILE A 522 -6.076 -11.294 11.584 1.00 15.32 H new ATOM 0 HD11 ILE A 522 -6.371 -6.740 10.050 1.00 32.34 H new ATOM 0 HD12 ILE A 522 -8.045 -7.151 10.494 1.00 32.34 H new ATOM 0 HD13 ILE A 522 -6.801 -6.999 11.757 1.00 32.34 H new ATOM 647 N LYS A 523 -9.392 -12.517 11.693 1.00 32.53 N ATOM 648 CA LYS A 523 -10.235 -13.321 12.570 1.00 32.52 C ATOM 649 C LYS A 523 -9.419 -13.916 13.714 1.00 74.12 C ATOM 650 O LYS A 523 -8.206 -14.095 13.597 1.00 33.01 O ATOM 651 CB LYS A 523 -10.911 -14.441 11.776 1.00 72.31 C ATOM 652 CG LYS A 523 -12.151 -15.003 12.451 1.00 65.12 C ATOM 653 CD LYS A 523 -12.568 -16.329 11.836 1.00 5.25 C ATOM 654 CE LYS A 523 -13.923 -16.783 12.357 1.00 4.32 C ATOM 655 NZ LYS A 523 -14.130 -18.244 12.163 1.00 31.52 N ATOM 0 H LYS A 523 -8.742 -13.057 11.122 1.00 32.53 H new ATOM 0 HA LYS A 523 -11.001 -12.670 12.993 1.00 32.52 H new ATOM 0 HB2 LYS A 523 -11.184 -14.063 10.791 1.00 72.31 H new ATOM 0 HB3 LYS A 523 -10.195 -15.248 11.621 1.00 72.31 H new ATOM 0 HG2 LYS A 523 -11.957 -15.139 13.515 1.00 65.12 H new ATOM 0 HG3 LYS A 523 -12.969 -14.288 12.365 1.00 65.12 H new ATOM 0 HD2 LYS A 523 -12.608 -16.232 10.751 1.00 5.25 H new ATOM 0 HD3 LYS A 523 -11.818 -17.087 12.060 1.00 5.25 H new ATOM 0 HE2 LYS A 523 -14.004 -16.542 13.417 1.00 4.32 H new ATOM 0 HE3 LYS A 523 -14.712 -16.233 11.844 1.00 4.32 H new ATOM 0 HZ1 LYS A 523 -14.974 -18.400 11.576 1.00 31.52 H new ATOM 0 HZ2 LYS A 523 -13.299 -18.653 11.690 1.00 31.52 H new ATOM 0 HZ3 LYS A 523 -14.261 -18.702 13.088 1.00 31.52 H new ATOM 669 N LEU A 524 -10.092 -14.222 14.818 1.00 52.33 N ATOM 670 CA LEU A 524 -9.430 -14.798 15.983 1.00 64.25 C ATOM 671 C LEU A 524 -10.339 -15.802 16.685 1.00 43.40 C ATOM 672 O LEU A 524 -11.129 -15.436 17.555 1.00 1.14 O ATOM 673 CB LEU A 524 -9.019 -13.694 16.959 1.00 71.33 C ATOM 674 CG LEU A 524 -8.019 -14.095 18.043 1.00 23.44 C ATOM 675 CD1 LEU A 524 -8.692 -14.961 19.097 1.00 53.01 C ATOM 676 CD2 LEU A 524 -6.832 -14.824 17.431 1.00 63.41 C ATOM 0 H LEU A 524 -11.096 -14.081 14.931 1.00 52.33 H new ATOM 0 HA LEU A 524 -8.537 -15.322 15.641 1.00 64.25 H new ATOM 0 HB2 LEU A 524 -8.593 -12.871 16.386 1.00 71.33 H new ATOM 0 HB3 LEU A 524 -9.917 -13.313 17.445 1.00 71.33 H new ATOM 0 HG LEU A 524 -7.654 -13.188 18.526 1.00 23.44 H new ATOM 0 HD11 LEU A 524 -7.964 -15.237 19.860 1.00 53.01 H new ATOM 0 HD12 LEU A 524 -9.508 -14.405 19.558 1.00 53.01 H new ATOM 0 HD13 LEU A 524 -9.086 -15.863 18.629 1.00 53.01 H new ATOM 0 HD21 LEU A 524 -6.131 -15.102 18.218 1.00 63.41 H new ATOM 0 HD22 LEU A 524 -7.180 -15.722 16.921 1.00 63.41 H new ATOM 0 HD23 LEU A 524 -6.334 -14.171 16.715 1.00 63.41 H new ATOM 688 N PHE A 525 -10.220 -17.069 16.303 1.00 42.35 N ATOM 689 CA PHE A 525 -11.030 -18.126 16.896 1.00 1.24 C ATOM 690 C PHE A 525 -10.324 -18.740 18.101 1.00 24.43 C ATOM 691 O PHE A 525 -9.342 -18.194 18.604 1.00 70.30 O ATOM 692 CB PHE A 525 -11.331 -19.210 15.860 1.00 71.12 C ATOM 693 CG PHE A 525 -12.787 -19.569 15.773 1.00 51.41 C ATOM 694 CD1 PHE A 525 -13.215 -20.856 16.053 1.00 20.31 C ATOM 695 CD2 PHE A 525 -13.728 -18.618 15.412 1.00 41.33 C ATOM 696 CE1 PHE A 525 -14.554 -21.189 15.973 1.00 11.21 C ATOM 697 CE2 PHE A 525 -15.069 -18.944 15.330 1.00 25.34 C ATOM 698 CZ PHE A 525 -15.482 -20.231 15.613 1.00 71.44 C ATOM 0 H PHE A 525 -9.570 -17.389 15.585 1.00 42.35 H new ATOM 0 HA PHE A 525 -11.968 -17.685 17.232 1.00 1.24 H new ATOM 0 HB2 PHE A 525 -10.990 -18.871 14.882 1.00 71.12 H new ATOM 0 HB3 PHE A 525 -10.759 -20.105 16.105 1.00 71.12 H new ATOM 0 HD1 PHE A 525 -12.494 -21.608 16.337 1.00 20.31 H new ATOM 0 HD2 PHE A 525 -13.410 -17.610 15.192 1.00 41.33 H new ATOM 0 HE1 PHE A 525 -14.874 -22.197 16.192 1.00 11.21 H new ATOM 0 HE2 PHE A 525 -15.792 -18.194 15.045 1.00 25.34 H new ATOM 0 HZ PHE A 525 -16.529 -20.488 15.553 1.00 71.44 H new ATOM 708 N ALA A 526 -10.831 -19.880 18.559 1.00 13.15 N ATOM 709 CA ALA A 526 -10.249 -20.570 19.704 1.00 73.12 C ATOM 710 C ALA A 526 -8.890 -21.166 19.352 1.00 33.05 C ATOM 711 O ALA A 526 -7.976 -21.179 20.176 1.00 20.45 O ATOM 712 CB ALA A 526 -11.192 -21.657 20.200 1.00 2.52 C ATOM 0 H ALA A 526 -11.644 -20.345 18.155 1.00 13.15 H new ATOM 0 HA ALA A 526 -10.102 -19.841 20.501 1.00 73.12 H new ATOM 0 HB1 ALA A 526 -10.745 -22.164 21.055 1.00 2.52 H new ATOM 0 HB2 ALA A 526 -12.139 -21.208 20.499 1.00 2.52 H new ATOM 0 HB3 ALA A 526 -11.368 -22.378 19.402 1.00 2.52 H new ATOM 718 N SER A 527 -8.765 -21.659 18.124 1.00 11.14 N ATOM 719 CA SER A 527 -7.519 -22.261 17.666 1.00 45.43 C ATOM 720 C SER A 527 -7.261 -21.925 16.200 1.00 65.31 C ATOM 721 O SER A 527 -6.660 -22.712 15.467 1.00 31.22 O ATOM 722 CB SER A 527 -7.561 -23.778 17.854 1.00 62.44 C ATOM 723 OG SER A 527 -7.428 -24.127 19.221 1.00 54.13 O ATOM 0 H SER A 527 -9.511 -21.653 17.429 1.00 11.14 H new ATOM 0 HA SER A 527 -6.705 -21.851 18.264 1.00 45.43 H new ATOM 0 HB2 SER A 527 -8.501 -24.170 17.465 1.00 62.44 H new ATOM 0 HB3 SER A 527 -6.760 -24.241 17.278 1.00 62.44 H new ATOM 0 HG SER A 527 -7.460 -25.102 19.314 1.00 54.13 H new ATOM 729 N HIS A 528 -7.719 -20.751 15.778 1.00 1.25 N ATOM 730 CA HIS A 528 -7.538 -20.309 14.400 1.00 21.41 C ATOM 731 C HIS A 528 -7.553 -18.786 14.311 1.00 74.41 C ATOM 732 O HIS A 528 -7.983 -18.105 15.241 1.00 0.35 O ATOM 733 CB HIS A 528 -8.632 -20.895 13.507 1.00 63.41 C ATOM 734 CG HIS A 528 -8.450 -22.353 13.216 1.00 34.42 C ATOM 735 ND1 HIS A 528 -8.957 -23.350 14.023 1.00 73.31 N ATOM 736 CD2 HIS A 528 -7.815 -22.981 12.199 1.00 21.12 C ATOM 737 CE1 HIS A 528 -8.640 -24.528 13.516 1.00 61.14 C ATOM 738 NE2 HIS A 528 -7.947 -24.332 12.408 1.00 1.14 N ATOM 0 H HIS A 528 -8.219 -20.088 16.371 1.00 1.25 H new ATOM 0 HA HIS A 528 -6.568 -20.665 14.054 1.00 21.41 H new ATOM 0 HB2 HIS A 528 -9.599 -20.747 13.987 1.00 63.41 H new ATOM 0 HB3 HIS A 528 -8.655 -20.345 12.566 1.00 63.41 H new ATOM 0 HD2 HIS A 528 -7.300 -22.508 11.376 1.00 21.12 H new ATOM 0 HE1 HIS A 528 -8.903 -25.488 13.936 1.00 61.14 H new ATOM 0 HE2 HIS A 528 -7.571 -25.065 11.806 1.00 1.14 H new ATOM 746 N SER A 529 -7.081 -18.259 13.186 1.00 73.54 N ATOM 747 CA SER A 529 -7.037 -16.817 12.977 1.00 43.12 C ATOM 748 C SER A 529 -6.744 -16.488 11.516 1.00 31.20 C ATOM 749 O SER A 529 -5.829 -17.049 10.912 1.00 73.14 O ATOM 750 CB SER A 529 -5.974 -16.183 13.877 1.00 54.33 C ATOM 751 OG SER A 529 -5.011 -17.140 14.281 1.00 45.15 O ATOM 0 H SER A 529 -6.724 -18.809 12.405 1.00 73.54 H new ATOM 0 HA SER A 529 -8.014 -16.407 13.235 1.00 43.12 H new ATOM 0 HB2 SER A 529 -5.481 -15.369 13.345 1.00 54.33 H new ATOM 0 HB3 SER A 529 -6.450 -15.748 14.756 1.00 54.33 H new ATOM 0 HG SER A 529 -5.269 -17.517 15.148 1.00 45.15 H new ATOM 757 N THR A 530 -7.528 -15.574 10.953 1.00 33.10 N ATOM 758 CA THR A 530 -7.356 -15.170 9.563 1.00 22.34 C ATOM 759 C THR A 530 -6.748 -13.776 9.467 1.00 2.35 C ATOM 760 O THR A 530 -6.683 -13.047 10.458 1.00 33.32 O ATOM 761 CB THR A 530 -8.695 -15.187 8.803 1.00 72.51 C ATOM 762 OG1 THR A 530 -9.501 -14.074 9.204 1.00 4.50 O ATOM 763 CG2 THR A 530 -9.448 -16.484 9.062 1.00 12.42 C ATOM 0 H THR A 530 -8.289 -15.099 11.439 1.00 33.10 H new ATOM 0 HA THR A 530 -6.678 -15.891 9.106 1.00 22.34 H new ATOM 0 HB THR A 530 -8.482 -15.115 7.736 1.00 72.51 H new ATOM 0 HG1 THR A 530 -10.350 -14.092 8.715 1.00 4.50 H new ATOM 0 HG21 THR A 530 -10.391 -16.473 8.515 1.00 12.42 H new ATOM 0 HG22 THR A 530 -8.844 -17.328 8.728 1.00 12.42 H new ATOM 0 HG23 THR A 530 -9.649 -16.581 10.129 1.00 12.42 H new ATOM 771 N ILE A 531 -6.304 -13.410 8.270 1.00 50.03 N ATOM 772 CA ILE A 531 -5.703 -12.101 8.045 1.00 20.22 C ATOM 773 C ILE A 531 -5.414 -11.876 6.565 1.00 0.50 C ATOM 774 O ILE A 531 -5.040 -12.803 5.848 1.00 41.32 O ATOM 775 CB ILE A 531 -4.396 -11.938 8.843 1.00 44.23 C ATOM 776 CG1 ILE A 531 -3.754 -10.582 8.541 1.00 54.23 C ATOM 777 CG2 ILE A 531 -3.432 -13.070 8.518 1.00 51.51 C ATOM 778 CD1 ILE A 531 -2.864 -10.073 9.653 1.00 70.32 C ATOM 0 H ILE A 531 -6.349 -14.002 7.440 1.00 50.03 H new ATOM 0 HA ILE A 531 -6.424 -11.359 8.388 1.00 20.22 H new ATOM 0 HB ILE A 531 -4.630 -11.980 9.907 1.00 44.23 H new ATOM 0 HG12 ILE A 531 -3.168 -10.663 7.626 1.00 54.23 H new ATOM 0 HG13 ILE A 531 -4.540 -9.851 8.353 1.00 54.23 H new ATOM 0 HG21 ILE A 531 -2.513 -12.941 9.090 1.00 51.51 H new ATOM 0 HG22 ILE A 531 -3.890 -14.024 8.778 1.00 51.51 H new ATOM 0 HG23 ILE A 531 -3.201 -13.057 7.453 1.00 51.51 H new ATOM 0 HD11 ILE A 531 -2.443 -9.108 9.370 1.00 70.32 H new ATOM 0 HD12 ILE A 531 -3.450 -9.960 10.565 1.00 70.32 H new ATOM 0 HD13 ILE A 531 -2.056 -10.784 9.827 1.00 70.32 H new ATOM 790 N GLU A 532 -5.589 -10.637 6.116 1.00 44.43 N ATOM 791 CA GLU A 532 -5.345 -10.289 4.720 1.00 32.55 C ATOM 792 C GLU A 532 -4.348 -9.140 4.612 1.00 43.31 C ATOM 793 O GLU A 532 -4.564 -8.060 5.165 1.00 73.52 O ATOM 794 CB GLU A 532 -6.657 -9.908 4.030 1.00 24.24 C ATOM 795 CG GLU A 532 -6.553 -9.850 2.516 1.00 61.24 C ATOM 796 CD GLU A 532 -7.775 -10.423 1.825 1.00 71.12 C ATOM 797 OE1 GLU A 532 -8.062 -11.622 2.024 1.00 55.22 O ATOM 798 OE2 GLU A 532 -8.444 -9.672 1.085 1.00 53.30 O ATOM 0 H GLU A 532 -5.898 -9.858 6.697 1.00 44.43 H new ATOM 0 HA GLU A 532 -4.921 -11.162 4.223 1.00 32.55 H new ATOM 0 HB2 GLU A 532 -7.426 -10.630 4.306 1.00 24.24 H new ATOM 0 HB3 GLU A 532 -6.984 -8.937 4.401 1.00 24.24 H new ATOM 0 HG2 GLU A 532 -6.416 -8.815 2.204 1.00 61.24 H new ATOM 0 HG3 GLU A 532 -5.668 -10.399 2.195 1.00 61.24 H new ATOM 805 N LEU A 533 -3.254 -9.379 3.896 1.00 13.35 N ATOM 806 CA LEU A 533 -2.222 -8.364 3.715 1.00 62.21 C ATOM 807 C LEU A 533 -2.201 -7.860 2.275 1.00 10.05 C ATOM 808 O LEU A 533 -2.220 -8.636 1.320 1.00 50.23 O ATOM 809 CB LEU A 533 -0.851 -8.931 4.089 1.00 50.23 C ATOM 810 CG LEU A 533 -0.356 -8.613 5.500 1.00 65.10 C ATOM 811 CD1 LEU A 533 -1.413 -8.975 6.531 1.00 21.42 C ATOM 812 CD2 LEU A 533 0.946 -9.348 5.787 1.00 74.35 C ATOM 0 H LEU A 533 -3.059 -10.266 3.432 1.00 13.35 H new ATOM 0 HA LEU A 533 -2.453 -7.525 4.371 1.00 62.21 H new ATOM 0 HB2 LEU A 533 -0.884 -10.014 3.973 1.00 50.23 H new ATOM 0 HB3 LEU A 533 -0.118 -8.556 3.375 1.00 50.23 H new ATOM 0 HG LEU A 533 -0.167 -7.541 5.565 1.00 65.10 H new ATOM 0 HD11 LEU A 533 -1.043 -8.742 7.529 1.00 21.42 H new ATOM 0 HD12 LEU A 533 -2.321 -8.403 6.338 1.00 21.42 H new ATOM 0 HD13 LEU A 533 -1.635 -10.040 6.466 1.00 21.42 H new ATOM 0 HD21 LEU A 533 1.284 -9.110 6.796 1.00 74.35 H new ATOM 0 HD22 LEU A 533 0.783 -10.423 5.703 1.00 74.35 H new ATOM 0 HD23 LEU A 533 1.705 -9.039 5.068 1.00 74.35 H new ATOM 824 N PRO A 534 -2.159 -6.529 2.115 1.00 21.00 N ATOM 825 CA PRO A 534 -2.131 -5.891 0.795 1.00 35.24 C ATOM 826 C PRO A 534 -0.810 -6.119 0.069 1.00 74.03 C ATOM 827 O PRO A 534 -0.657 -5.745 -1.094 1.00 62.12 O ATOM 828 CB PRO A 534 -2.317 -4.406 1.115 1.00 4.24 C ATOM 829 CG PRO A 534 -1.813 -4.253 2.509 1.00 2.00 C ATOM 830 CD PRO A 534 -2.134 -5.544 3.209 1.00 31.25 C ATOM 0 HA PRO A 534 -2.894 -6.296 0.130 1.00 35.24 H new ATOM 0 HB2 PRO A 534 -1.758 -3.778 0.421 1.00 4.24 H new ATOM 0 HB3 PRO A 534 -3.364 -4.112 1.038 1.00 4.24 H new ATOM 0 HG2 PRO A 534 -0.740 -4.061 2.517 1.00 2.00 H new ATOM 0 HG3 PRO A 534 -2.292 -3.410 3.007 1.00 2.00 H new ATOM 0 HD2 PRO A 534 -1.381 -5.793 3.957 1.00 31.25 H new ATOM 0 HD3 PRO A 534 -3.092 -5.493 3.726 1.00 31.25 H new ATOM 838 N LYS A 535 0.142 -6.735 0.761 1.00 33.21 N ATOM 839 CA LYS A 535 1.450 -7.015 0.182 1.00 62.12 C ATOM 840 C LYS A 535 1.312 -7.574 -1.231 1.00 33.25 C ATOM 841 O LYS A 535 0.343 -8.266 -1.543 1.00 3.25 O ATOM 842 CB LYS A 535 2.219 -8.005 1.060 1.00 14.25 C ATOM 843 CG LYS A 535 2.468 -7.500 2.471 1.00 12.50 C ATOM 844 CD LYS A 535 3.434 -6.327 2.481 1.00 42.03 C ATOM 845 CE LYS A 535 4.817 -6.741 2.001 1.00 2.52 C ATOM 846 NZ LYS A 535 5.878 -5.834 2.521 1.00 64.31 N ATOM 0 H LYS A 535 0.032 -7.050 1.725 1.00 33.21 H new ATOM 0 HA LYS A 535 2.004 -6.078 0.131 1.00 62.12 H new ATOM 0 HB2 LYS A 535 1.663 -8.941 1.111 1.00 14.25 H new ATOM 0 HB3 LYS A 535 3.176 -8.228 0.589 1.00 14.25 H new ATOM 0 HG2 LYS A 535 1.523 -7.198 2.922 1.00 12.50 H new ATOM 0 HG3 LYS A 535 2.869 -8.308 3.082 1.00 12.50 H new ATOM 0 HD2 LYS A 535 3.049 -5.532 1.843 1.00 42.03 H new ATOM 0 HD3 LYS A 535 3.504 -5.920 3.490 1.00 42.03 H new ATOM 0 HE2 LYS A 535 5.022 -7.762 2.322 1.00 2.52 H new ATOM 0 HE3 LYS A 535 4.839 -6.739 0.911 1.00 2.52 H new ATOM 0 HZ1 LYS A 535 6.806 -6.149 2.172 1.00 64.31 H new ATOM 0 HZ2 LYS A 535 5.696 -4.864 2.194 1.00 64.31 H new ATOM 0 HZ3 LYS A 535 5.874 -5.855 3.561 1.00 64.31 H new ATOM 860 N GLY A 536 2.288 -7.271 -2.081 1.00 12.30 N ATOM 861 CA GLY A 536 2.256 -7.752 -3.450 1.00 33.45 C ATOM 862 C GLY A 536 3.561 -8.399 -3.867 1.00 64.31 C ATOM 863 O GLY A 536 4.074 -8.133 -4.954 1.00 33.30 O ATOM 0 H GLY A 536 3.101 -6.701 -1.846 1.00 12.30 H new ATOM 0 HA2 GLY A 536 1.445 -8.472 -3.560 1.00 33.45 H new ATOM 0 HA3 GLY A 536 2.036 -6.920 -4.119 1.00 33.45 H new ATOM 867 N MET A 537 4.102 -9.250 -3.001 1.00 70.21 N ATOM 868 CA MET A 537 5.357 -9.936 -3.286 1.00 72.44 C ATOM 869 C MET A 537 5.703 -10.921 -2.174 1.00 1.10 C ATOM 870 O MET A 537 6.665 -10.738 -1.427 1.00 54.41 O ATOM 871 CB MET A 537 6.490 -8.923 -3.457 1.00 52.32 C ATOM 872 CG MET A 537 7.595 -9.398 -4.386 1.00 43.41 C ATOM 873 SD MET A 537 8.452 -8.036 -5.199 1.00 44.52 S ATOM 874 CE MET A 537 9.732 -8.922 -6.086 1.00 11.44 C ATOM 0 H MET A 537 3.691 -9.481 -2.096 1.00 70.21 H new ATOM 0 HA MET A 537 5.235 -10.493 -4.215 1.00 72.44 H new ATOM 0 HB2 MET A 537 6.078 -7.991 -3.843 1.00 52.32 H new ATOM 0 HB3 MET A 537 6.919 -8.701 -2.480 1.00 52.32 H new ATOM 0 HG2 MET A 537 8.314 -9.987 -3.817 1.00 43.41 H new ATOM 0 HG3 MET A 537 7.170 -10.058 -5.142 1.00 43.41 H new ATOM 0 HE1 MET A 537 10.348 -8.213 -6.640 1.00 11.44 H new ATOM 0 HE2 MET A 537 10.355 -9.468 -5.377 1.00 11.44 H new ATOM 0 HE3 MET A 537 9.273 -9.625 -6.781 1.00 11.44 H new ATOM 884 N PRO A 538 4.902 -11.991 -2.059 1.00 5.11 N ATOM 885 CA PRO A 538 5.105 -13.025 -1.040 1.00 62.42 C ATOM 886 C PRO A 538 6.351 -13.864 -1.305 1.00 40.33 C ATOM 887 O PRO A 538 7.150 -13.545 -2.185 1.00 1.14 O ATOM 888 CB PRO A 538 3.846 -13.888 -1.155 1.00 52.10 C ATOM 889 CG PRO A 538 3.376 -13.688 -2.555 1.00 0.14 C ATOM 890 CD PRO A 538 3.738 -12.274 -2.915 1.00 10.53 C ATOM 0 HA PRO A 538 5.256 -12.596 -0.049 1.00 62.42 H new ATOM 0 HB2 PRO A 538 4.066 -14.937 -0.957 1.00 52.10 H new ATOM 0 HB3 PRO A 538 3.088 -13.580 -0.435 1.00 52.10 H new ATOM 0 HG2 PRO A 538 3.853 -14.397 -3.232 1.00 0.14 H new ATOM 0 HG3 PRO A 538 2.300 -13.847 -2.632 1.00 0.14 H new ATOM 0 HD2 PRO A 538 3.984 -12.179 -3.973 1.00 10.53 H new ATOM 0 HD3 PRO A 538 2.916 -11.586 -2.716 1.00 10.53 H new ATOM 898 N GLY A 539 6.510 -14.938 -0.539 1.00 20.45 N ATOM 899 CA GLY A 539 7.661 -15.806 -0.707 1.00 20.11 C ATOM 900 C GLY A 539 8.873 -15.317 0.061 1.00 31.22 C ATOM 901 O GLY A 539 9.946 -15.913 -0.017 1.00 25.30 O ATOM 0 H GLY A 539 5.862 -15.223 0.195 1.00 20.45 H new ATOM 0 HA2 GLY A 539 7.405 -16.812 -0.374 1.00 20.11 H new ATOM 0 HA3 GLY A 539 7.909 -15.874 -1.766 1.00 20.11 H new ATOM 905 N GLU A 540 8.701 -14.228 0.804 1.00 22.21 N ATOM 906 CA GLU A 540 9.792 -13.659 1.587 1.00 15.31 C ATOM 907 C GLU A 540 9.978 -14.421 2.896 1.00 73.33 C ATOM 908 O GLU A 540 11.055 -14.949 3.172 1.00 41.00 O ATOM 909 CB GLU A 540 9.522 -12.181 1.879 1.00 32.11 C ATOM 910 CG GLU A 540 8.992 -11.411 0.681 1.00 13.13 C ATOM 911 CD GLU A 540 9.940 -11.446 -0.501 1.00 44.20 C ATOM 912 OE1 GLU A 540 10.856 -10.597 -0.552 1.00 33.54 O ATOM 913 OE2 GLU A 540 9.768 -12.320 -1.375 1.00 72.34 O ATOM 0 H GLU A 540 7.818 -13.723 0.880 1.00 22.21 H new ATOM 0 HA GLU A 540 10.708 -13.746 1.003 1.00 15.31 H new ATOM 0 HB2 GLU A 540 8.804 -12.106 2.695 1.00 32.11 H new ATOM 0 HB3 GLU A 540 10.444 -11.713 2.222 1.00 32.11 H new ATOM 0 HG2 GLU A 540 8.030 -11.828 0.383 1.00 13.13 H new ATOM 0 HG3 GLU A 540 8.815 -10.375 0.969 1.00 13.13 H new ATOM 920 N VAL A 541 8.920 -14.474 3.699 1.00 75.45 N ATOM 921 CA VAL A 541 8.965 -15.172 4.978 1.00 72.21 C ATOM 922 C VAL A 541 8.743 -16.669 4.795 1.00 32.44 C ATOM 923 O VAL A 541 9.291 -17.485 5.538 1.00 2.33 O ATOM 924 CB VAL A 541 7.908 -14.623 5.955 1.00 40.14 C ATOM 925 CG1 VAL A 541 8.041 -15.289 7.315 1.00 33.54 C ATOM 926 CG2 VAL A 541 8.031 -13.112 6.078 1.00 44.34 C ATOM 0 H VAL A 541 8.021 -14.042 3.486 1.00 75.45 H new ATOM 0 HA VAL A 541 9.957 -15.003 5.396 1.00 72.21 H new ATOM 0 HB VAL A 541 6.919 -14.853 5.560 1.00 40.14 H new ATOM 0 HG11 VAL A 541 7.286 -14.888 7.992 1.00 33.54 H new ATOM 0 HG12 VAL A 541 7.899 -16.365 7.209 1.00 33.54 H new ATOM 0 HG13 VAL A 541 9.033 -15.092 7.721 1.00 33.54 H new ATOM 0 HG21 VAL A 541 7.277 -12.741 6.772 1.00 44.34 H new ATOM 0 HG22 VAL A 541 9.023 -12.857 6.450 1.00 44.34 H new ATOM 0 HG23 VAL A 541 7.881 -12.654 5.100 1.00 44.34 H new ATOM 936 N LEU A 542 7.936 -17.025 3.802 1.00 32.31 N ATOM 937 CA LEU A 542 7.641 -18.426 3.520 1.00 11.04 C ATOM 938 C LEU A 542 8.894 -19.165 3.063 1.00 24.11 C ATOM 939 O LEU A 542 8.978 -20.388 3.170 1.00 22.22 O ATOM 940 CB LEU A 542 6.553 -18.533 2.451 1.00 71.35 C ATOM 941 CG LEU A 542 5.236 -17.821 2.759 1.00 15.01 C ATOM 942 CD1 LEU A 542 4.246 -18.012 1.620 1.00 11.12 C ATOM 943 CD2 LEU A 542 4.649 -18.328 4.068 1.00 31.14 C ATOM 0 H LEU A 542 7.474 -16.363 3.178 1.00 32.31 H new ATOM 0 HA LEU A 542 7.284 -18.889 4.440 1.00 11.04 H new ATOM 0 HB2 LEU A 542 6.949 -18.134 1.517 1.00 71.35 H new ATOM 0 HB3 LEU A 542 6.341 -19.589 2.282 1.00 71.35 H new ATOM 0 HG LEU A 542 5.438 -16.755 2.863 1.00 15.01 H new ATOM 0 HD11 LEU A 542 3.315 -17.498 1.857 1.00 11.12 H new ATOM 0 HD12 LEU A 542 4.664 -17.600 0.702 1.00 11.12 H new ATOM 0 HD13 LEU A 542 4.049 -19.075 1.484 1.00 11.12 H new ATOM 0 HD21 LEU A 542 3.712 -17.810 4.271 1.00 31.14 H new ATOM 0 HD22 LEU A 542 4.463 -19.399 3.992 1.00 31.14 H new ATOM 0 HD23 LEU A 542 5.352 -18.138 4.879 1.00 31.14 H new ATOM 955 N GLN A 543 9.866 -18.414 2.556 1.00 41.24 N ATOM 956 CA GLN A 543 11.116 -18.998 2.084 1.00 72.32 C ATOM 957 C GLN A 543 12.086 -19.216 3.240 1.00 34.45 C ATOM 958 O GLN A 543 12.514 -20.341 3.502 1.00 71.15 O ATOM 959 CB GLN A 543 11.758 -18.098 1.027 1.00 11.42 C ATOM 960 CG GLN A 543 11.334 -18.429 -0.394 1.00 74.43 C ATOM 961 CD GLN A 543 11.865 -19.769 -0.864 1.00 63.04 C ATOM 962 OE1 GLN A 543 13.077 -19.980 -0.931 1.00 75.42 O ATOM 963 NE2 GLN A 543 10.960 -20.683 -1.193 1.00 60.13 N ATOM 0 H GLN A 543 9.812 -17.400 2.461 1.00 41.24 H new ATOM 0 HA GLN A 543 10.889 -19.966 1.637 1.00 72.32 H new ATOM 0 HB2 GLN A 543 11.502 -17.060 1.241 1.00 11.42 H new ATOM 0 HB3 GLN A 543 12.842 -18.180 1.102 1.00 11.42 H new ATOM 0 HG2 GLN A 543 10.246 -18.433 -0.453 1.00 74.43 H new ATOM 0 HG3 GLN A 543 11.687 -17.647 -1.066 1.00 74.43 H new ATOM 0 HE21 GLN A 543 9.966 -20.465 -1.122 1.00 60.13 H new ATOM 0 HE22 GLN A 543 11.259 -21.603 -1.517 1.00 60.13 H new ATOM 972 N HIS A 544 12.429 -18.134 3.931 1.00 52.52 N ATOM 973 CA HIS A 544 13.349 -18.207 5.061 1.00 55.35 C ATOM 974 C HIS A 544 12.708 -18.939 6.236 1.00 10.40 C ATOM 975 O HIS A 544 13.258 -19.914 6.747 1.00 22.14 O ATOM 976 CB HIS A 544 13.775 -16.803 5.490 1.00 12.40 C ATOM 977 CG HIS A 544 15.040 -16.780 6.291 1.00 42.41 C ATOM 978 ND1 HIS A 544 15.940 -17.824 6.306 1.00 23.13 N ATOM 979 CD2 HIS A 544 15.555 -15.829 7.106 1.00 71.30 C ATOM 980 CE1 HIS A 544 16.953 -17.518 7.098 1.00 70.15 C ATOM 981 NE2 HIS A 544 16.744 -16.313 7.595 1.00 53.41 N ATOM 0 H HIS A 544 12.084 -17.196 3.728 1.00 52.52 H new ATOM 0 HA HIS A 544 14.231 -18.765 4.745 1.00 55.35 H new ATOM 0 HB2 HIS A 544 13.906 -16.185 4.602 1.00 12.40 H new ATOM 0 HB3 HIS A 544 12.975 -16.353 6.077 1.00 12.40 H new ATOM 0 HD2 HIS A 544 15.113 -14.869 7.330 1.00 71.30 H new ATOM 0 HE1 HIS A 544 17.807 -18.147 7.304 1.00 70.15 H new ATOM 0 HE2 HIS A 544 17.365 -15.821 8.238 1.00 53.41 H new ATOM 989 N PHE A 545 11.543 -18.461 6.660 1.00 12.22 N ATOM 990 CA PHE A 545 10.828 -19.069 7.777 1.00 42.43 C ATOM 991 C PHE A 545 9.908 -20.185 7.291 1.00 44.13 C ATOM 992 O PHE A 545 8.752 -20.278 7.705 1.00 43.01 O ATOM 993 CB PHE A 545 10.014 -18.011 8.525 1.00 20.10 C ATOM 994 CG PHE A 545 10.823 -17.221 9.514 1.00 34.11 C ATOM 995 CD1 PHE A 545 10.448 -17.165 10.847 1.00 42.40 C ATOM 996 CD2 PHE A 545 11.957 -16.536 9.111 1.00 2.41 C ATOM 997 CE1 PHE A 545 11.190 -16.438 11.759 1.00 41.22 C ATOM 998 CE2 PHE A 545 12.703 -15.807 10.019 1.00 63.34 C ATOM 999 CZ PHE A 545 12.320 -15.759 11.344 1.00 33.34 C ATOM 0 H PHE A 545 11.074 -17.655 6.247 1.00 12.22 H new ATOM 0 HA PHE A 545 11.564 -19.499 8.456 1.00 42.43 H new ATOM 0 HB2 PHE A 545 9.570 -17.327 7.802 1.00 20.10 H new ATOM 0 HB3 PHE A 545 9.192 -18.499 9.048 1.00 20.10 H new ATOM 0 HD1 PHE A 545 9.567 -17.695 11.177 1.00 42.40 H new ATOM 0 HD2 PHE A 545 12.262 -16.571 8.076 1.00 2.41 H new ATOM 0 HE1 PHE A 545 10.887 -16.401 12.795 1.00 41.22 H new ATOM 0 HE2 PHE A 545 13.584 -15.276 9.692 1.00 63.34 H new ATOM 0 HZ PHE A 545 12.902 -15.192 12.055 1.00 33.34 H new ATOM 1009 N THR A 546 10.430 -21.031 6.408 1.00 71.30 N ATOM 1010 CA THR A 546 9.657 -22.140 5.863 1.00 31.24 C ATOM 1011 C THR A 546 9.541 -23.277 6.872 1.00 62.41 C ATOM 1012 O THR A 546 8.557 -24.017 6.877 1.00 23.41 O ATOM 1013 CB THR A 546 10.288 -22.681 4.567 1.00 71.54 C ATOM 1014 OG1 THR A 546 9.375 -23.569 3.911 1.00 1.10 O ATOM 1015 CG2 THR A 546 11.589 -23.412 4.862 1.00 43.32 C ATOM 0 H THR A 546 11.385 -20.969 6.055 1.00 71.30 H new ATOM 0 HA THR A 546 8.663 -21.753 5.640 1.00 31.24 H new ATOM 0 HB THR A 546 10.505 -21.835 3.915 1.00 71.54 H new ATOM 0 HG1 THR A 546 9.783 -23.908 3.087 1.00 1.10 H new ATOM 0 HG21 THR A 546 12.016 -23.785 3.931 1.00 43.32 H new ATOM 0 HG22 THR A 546 12.292 -22.727 5.335 1.00 43.32 H new ATOM 0 HG23 THR A 546 11.392 -24.249 5.532 1.00 43.32 H new ATOM 1023 N ARG A 547 10.552 -23.411 7.725 1.00 53.21 N ATOM 1024 CA ARG A 547 10.563 -24.459 8.738 1.00 11.12 C ATOM 1025 C ARG A 547 10.374 -23.869 10.133 1.00 54.03 C ATOM 1026 O ARG A 547 9.957 -24.562 11.061 1.00 22.43 O ATOM 1027 CB ARG A 547 11.876 -25.242 8.678 1.00 74.01 C ATOM 1028 CG ARG A 547 13.085 -24.438 9.125 1.00 25.12 C ATOM 1029 CD ARG A 547 13.520 -24.821 10.531 1.00 20.12 C ATOM 1030 NE ARG A 547 14.425 -25.967 10.531 1.00 5.02 N ATOM 1031 CZ ARG A 547 15.718 -25.882 10.237 1.00 70.33 C ATOM 1032 NH1 ARG A 547 16.254 -24.712 9.921 1.00 50.44 N ATOM 1033 NH2 ARG A 547 16.477 -26.970 10.258 1.00 23.35 N ATOM 0 H ARG A 547 11.374 -22.807 7.734 1.00 53.21 H new ATOM 0 HA ARG A 547 9.734 -25.136 8.533 1.00 11.12 H new ATOM 0 HB2 ARG A 547 11.789 -26.130 9.304 1.00 74.01 H new ATOM 0 HB3 ARG A 547 12.037 -25.587 7.657 1.00 74.01 H new ATOM 0 HG2 ARG A 547 13.909 -24.602 8.431 1.00 25.12 H new ATOM 0 HG3 ARG A 547 12.848 -23.375 9.093 1.00 25.12 H new ATOM 0 HD2 ARG A 547 14.012 -23.970 11.002 1.00 20.12 H new ATOM 0 HD3 ARG A 547 12.641 -25.054 11.132 1.00 20.12 H new ATOM 0 HE ARG A 547 14.044 -26.883 10.770 1.00 5.02 H new ATOM 0 HH11 ARG A 547 15.674 -23.873 9.903 1.00 50.44 H new ATOM 0 HH12 ARG A 547 17.247 -24.650 9.696 1.00 50.44 H new ATOM 0 HH21 ARG A 547 16.068 -27.873 10.500 1.00 23.35 H new ATOM 0 HH22 ARG A 547 17.469 -26.904 10.032 1.00 23.35 H new ATOM 1047 N THR A 548 10.683 -22.584 10.273 1.00 50.40 N ATOM 1048 CA THR A 548 10.549 -21.901 11.553 1.00 11.44 C ATOM 1049 C THR A 548 9.358 -20.949 11.547 1.00 43.32 C ATOM 1050 O THR A 548 9.349 -19.956 10.819 1.00 61.25 O ATOM 1051 CB THR A 548 11.823 -21.109 11.904 1.00 52.32 C ATOM 1052 OG1 THR A 548 12.952 -21.988 11.939 1.00 63.32 O ATOM 1053 CG2 THR A 548 11.674 -20.412 13.248 1.00 44.01 C ATOM 0 H THR A 548 11.028 -21.995 9.515 1.00 50.40 H new ATOM 0 HA THR A 548 10.390 -22.672 12.307 1.00 11.44 H new ATOM 0 HB THR A 548 11.977 -20.352 11.135 1.00 52.32 H new ATOM 0 HG1 THR A 548 13.758 -21.477 12.161 1.00 63.32 H new ATOM 0 HG21 THR A 548 12.586 -19.859 13.474 1.00 44.01 H new ATOM 0 HG22 THR A 548 10.832 -19.721 13.208 1.00 44.01 H new ATOM 0 HG23 THR A 548 11.498 -21.155 14.026 1.00 44.01 H new ATOM 1061 N ARG A 549 8.356 -21.257 12.363 1.00 74.12 N ATOM 1062 CA ARG A 549 7.159 -20.429 12.450 1.00 2.51 C ATOM 1063 C ARG A 549 6.616 -20.406 13.876 1.00 24.00 C ATOM 1064 O ARG A 549 7.153 -21.068 14.765 1.00 35.11 O ATOM 1065 CB ARG A 549 6.084 -20.945 11.492 1.00 43.11 C ATOM 1066 CG ARG A 549 6.474 -20.840 10.026 1.00 34.24 C ATOM 1067 CD ARG A 549 6.957 -22.175 9.482 1.00 74.24 C ATOM 1068 NE ARG A 549 5.944 -22.828 8.656 1.00 42.13 N ATOM 1069 CZ ARG A 549 5.725 -22.520 7.382 1.00 33.42 C ATOM 1070 NH1 ARG A 549 6.443 -21.575 6.792 1.00 60.33 N ATOM 1071 NH2 ARG A 549 4.785 -23.159 6.697 1.00 63.24 N ATOM 0 H ARG A 549 8.349 -22.074 12.974 1.00 74.12 H new ATOM 0 HA ARG A 549 7.430 -19.412 12.166 1.00 2.51 H new ATOM 0 HB2 ARG A 549 5.868 -21.987 11.728 1.00 43.11 H new ATOM 0 HB3 ARG A 549 5.164 -20.384 11.656 1.00 43.11 H new ATOM 0 HG2 ARG A 549 5.618 -20.497 9.444 1.00 34.24 H new ATOM 0 HG3 ARG A 549 7.259 -20.093 9.910 1.00 34.24 H new ATOM 0 HD2 ARG A 549 7.861 -22.021 8.893 1.00 74.24 H new ATOM 0 HD3 ARG A 549 7.225 -22.829 10.312 1.00 74.24 H new ATOM 0 HE ARG A 549 5.374 -23.560 9.080 1.00 42.13 H new ATOM 0 HH11 ARG A 549 7.166 -21.082 7.316 1.00 60.33 H new ATOM 0 HH12 ARG A 549 6.273 -21.341 5.814 1.00 60.33 H new ATOM 0 HH21 ARG A 549 4.231 -23.887 7.148 1.00 63.24 H new ATOM 0 HH22 ARG A 549 4.617 -22.923 5.719 1.00 63.24 H new ATOM 1085 N ILE A 550 5.551 -19.640 14.086 1.00 60.21 N ATOM 1086 CA ILE A 550 4.936 -19.532 15.403 1.00 20.20 C ATOM 1087 C ILE A 550 3.572 -18.856 15.319 1.00 0.30 C ATOM 1088 O ILE A 550 3.099 -18.519 14.232 1.00 23.44 O ATOM 1089 CB ILE A 550 5.829 -18.743 16.378 1.00 10.43 C ATOM 1090 CG1 ILE A 550 5.563 -19.184 17.819 1.00 51.01 C ATOM 1091 CG2 ILE A 550 5.590 -17.248 16.224 1.00 72.14 C ATOM 1092 CD1 ILE A 550 6.823 -19.418 18.622 1.00 44.41 C ATOM 0 H ILE A 550 5.096 -19.085 13.361 1.00 60.21 H new ATOM 0 HA ILE A 550 4.812 -20.548 15.778 1.00 20.20 H new ATOM 0 HB ILE A 550 6.872 -18.951 16.141 1.00 10.43 H new ATOM 0 HG12 ILE A 550 4.960 -18.425 18.317 1.00 51.01 H new ATOM 0 HG13 ILE A 550 4.974 -20.101 17.807 1.00 51.01 H new ATOM 0 HG21 ILE A 550 6.229 -16.704 16.920 1.00 72.14 H new ATOM 0 HG22 ILE A 550 5.825 -16.945 15.204 1.00 72.14 H new ATOM 0 HG23 ILE A 550 4.545 -17.023 16.438 1.00 72.14 H new ATOM 0 HD11 ILE A 550 6.558 -19.728 19.633 1.00 44.41 H new ATOM 0 HD12 ILE A 550 7.417 -20.199 18.147 1.00 44.41 H new ATOM 0 HD13 ILE A 550 7.403 -18.496 18.666 1.00 44.41 H new ATOM 1104 N LEU A 551 2.944 -18.657 16.473 1.00 63.32 N ATOM 1105 CA LEU A 551 1.634 -18.018 16.531 1.00 21.40 C ATOM 1106 C LEU A 551 1.523 -16.908 15.491 1.00 72.43 C ATOM 1107 O LEU A 551 0.492 -16.759 14.836 1.00 11.23 O ATOM 1108 CB LEU A 551 1.384 -17.450 17.929 1.00 52.22 C ATOM 1109 CG LEU A 551 2.253 -16.259 18.335 1.00 62.32 C ATOM 1110 CD1 LEU A 551 1.580 -14.951 17.950 1.00 43.12 C ATOM 1111 CD2 LEU A 551 2.541 -16.294 19.829 1.00 51.23 C ATOM 0 H LEU A 551 3.321 -18.929 17.381 1.00 63.32 H new ATOM 0 HA LEU A 551 0.879 -18.773 16.311 1.00 21.40 H new ATOM 0 HB2 LEU A 551 0.338 -17.151 17.996 1.00 52.22 H new ATOM 0 HB3 LEU A 551 1.534 -18.248 18.656 1.00 52.22 H new ATOM 0 HG LEU A 551 3.201 -16.326 17.801 1.00 62.32 H new ATOM 0 HD11 LEU A 551 2.213 -14.115 18.247 1.00 43.12 H new ATOM 0 HD12 LEU A 551 1.426 -14.925 16.871 1.00 43.12 H new ATOM 0 HD13 LEU A 551 0.617 -14.875 18.456 1.00 43.12 H new ATOM 0 HD21 LEU A 551 3.161 -15.439 20.100 1.00 51.23 H new ATOM 0 HD22 LEU A 551 1.602 -16.252 20.382 1.00 51.23 H new ATOM 0 HD23 LEU A 551 3.067 -17.216 20.077 1.00 51.23 H new ATOM 1123 N ASN A 552 2.593 -16.134 15.342 1.00 12.05 N ATOM 1124 CA ASN A 552 2.616 -15.038 14.380 1.00 32.41 C ATOM 1125 C ASN A 552 2.874 -15.559 12.969 1.00 11.14 C ATOM 1126 O ASN A 552 2.037 -15.412 12.078 1.00 32.35 O ATOM 1127 CB ASN A 552 3.689 -14.018 14.763 1.00 3.35 C ATOM 1128 CG ASN A 552 3.860 -12.937 13.714 1.00 44.33 C ATOM 1129 OD1 ASN A 552 4.981 -12.587 13.343 1.00 23.44 O ATOM 1130 ND2 ASN A 552 2.746 -12.401 13.229 1.00 20.21 N ATOM 0 H ASN A 552 3.455 -16.245 15.875 1.00 12.05 H new ATOM 0 HA ASN A 552 1.640 -14.552 14.397 1.00 32.41 H new ATOM 0 HB2 ASN A 552 3.425 -13.558 15.715 1.00 3.35 H new ATOM 0 HB3 ASN A 552 4.639 -14.532 14.909 1.00 3.35 H new ATOM 0 HD21 ASN A 552 2.799 -11.669 12.520 1.00 20.21 H new ATOM 0 HD22 ASN A 552 1.838 -12.721 13.565 1.00 20.21 H new ATOM 1137 N LYS A 553 4.038 -16.168 12.773 1.00 22.33 N ATOM 1138 CA LYS A 553 4.408 -16.713 11.472 1.00 33.13 C ATOM 1139 C LYS A 553 3.427 -17.798 11.039 1.00 64.43 C ATOM 1140 O LYS A 553 2.677 -18.349 11.845 1.00 63.12 O ATOM 1141 CB LYS A 553 5.827 -17.283 11.519 1.00 4.44 C ATOM 1142 CG LYS A 553 6.776 -16.480 12.393 1.00 41.34 C ATOM 1143 CD LYS A 553 6.768 -15.007 12.018 1.00 73.22 C ATOM 1144 CE LYS A 553 7.188 -14.798 10.571 1.00 1.11 C ATOM 1145 NZ LYS A 553 7.282 -13.353 10.224 1.00 5.34 N ATOM 0 H LYS A 553 4.742 -16.297 13.499 1.00 22.33 H new ATOM 0 HA LYS A 553 4.373 -15.903 10.743 1.00 33.13 H new ATOM 0 HB2 LYS A 553 5.786 -18.308 11.888 1.00 4.44 H new ATOM 0 HB3 LYS A 553 6.227 -17.325 10.506 1.00 4.44 H new ATOM 0 HG2 LYS A 553 6.491 -16.592 13.439 1.00 41.34 H new ATOM 0 HG3 LYS A 553 7.787 -16.876 12.294 1.00 41.34 H new ATOM 0 HD2 LYS A 553 5.770 -14.597 12.171 1.00 73.22 H new ATOM 0 HD3 LYS A 553 7.442 -14.459 12.676 1.00 73.22 H new ATOM 0 HE2 LYS A 553 8.153 -15.276 10.400 1.00 1.11 H new ATOM 0 HE3 LYS A 553 6.470 -15.284 9.911 1.00 1.11 H new ATOM 0 HZ1 LYS A 553 7.776 -13.246 9.315 1.00 5.34 H new ATOM 0 HZ2 LYS A 553 6.326 -12.951 10.148 1.00 5.34 H new ATOM 0 HZ3 LYS A 553 7.810 -12.851 10.966 1.00 5.34 H new ATOM 1159 N PRO A 554 3.433 -18.115 9.735 1.00 32.54 N ATOM 1160 CA PRO A 554 2.551 -19.139 9.166 1.00 2.11 C ATOM 1161 C PRO A 554 2.934 -20.546 9.611 1.00 62.44 C ATOM 1162 O PRO A 554 3.549 -21.300 8.856 1.00 12.22 O ATOM 1163 CB PRO A 554 2.753 -18.981 7.657 1.00 70.31 C ATOM 1164 CG PRO A 554 4.111 -18.385 7.517 1.00 52.24 C ATOM 1165 CD PRO A 554 4.300 -17.500 8.717 1.00 4.33 C ATOM 0 HA PRO A 554 1.517 -19.012 9.487 1.00 2.11 H new ATOM 0 HB2 PRO A 554 2.688 -19.942 7.146 1.00 70.31 H new ATOM 0 HB3 PRO A 554 1.991 -18.336 7.221 1.00 70.31 H new ATOM 0 HG2 PRO A 554 4.876 -19.161 7.480 1.00 52.24 H new ATOM 0 HG3 PRO A 554 4.193 -17.812 6.593 1.00 52.24 H new ATOM 0 HD2 PRO A 554 5.341 -17.475 9.038 1.00 4.33 H new ATOM 0 HD3 PRO A 554 4.007 -16.471 8.508 1.00 4.33 H new ATOM 1173 N MET A 555 2.567 -20.894 10.839 1.00 35.54 N ATOM 1174 CA MET A 555 2.871 -22.213 11.383 1.00 73.11 C ATOM 1175 C MET A 555 2.144 -23.304 10.603 1.00 51.35 C ATOM 1176 O MET A 555 2.771 -24.127 9.938 1.00 45.02 O ATOM 1177 CB MET A 555 2.481 -22.281 12.861 1.00 61.32 C ATOM 1178 CG MET A 555 2.541 -23.685 13.441 1.00 74.23 C ATOM 1179 SD MET A 555 4.208 -24.371 13.431 1.00 3.51 S ATOM 1180 CE MET A 555 3.876 -26.064 12.953 1.00 75.23 C ATOM 0 H MET A 555 2.059 -20.282 11.477 1.00 35.54 H new ATOM 0 HA MET A 555 3.944 -22.378 11.290 1.00 73.11 H new ATOM 0 HB2 MET A 555 3.143 -21.632 13.433 1.00 61.32 H new ATOM 0 HB3 MET A 555 1.470 -21.890 12.980 1.00 61.32 H new ATOM 0 HG2 MET A 555 2.166 -23.667 14.464 1.00 74.23 H new ATOM 0 HG3 MET A 555 1.880 -24.338 12.871 1.00 74.23 H new ATOM 0 HE1 MET A 555 4.813 -26.618 12.903 1.00 75.23 H new ATOM 0 HE2 MET A 555 3.219 -26.528 13.689 1.00 75.23 H new ATOM 0 HE3 MET A 555 3.394 -26.078 11.976 1.00 75.23 H new ATOM 1190 N ASN A 556 0.818 -23.303 10.689 1.00 74.12 N ATOM 1191 CA ASN A 556 0.006 -24.294 9.991 1.00 51.40 C ATOM 1192 C ASN A 556 -1.238 -23.650 9.387 1.00 15.44 C ATOM 1193 O ASN A 556 -2.350 -23.845 9.877 1.00 34.20 O ATOM 1194 CB ASN A 556 -0.400 -25.416 10.948 1.00 73.32 C ATOM 1195 CG ASN A 556 -0.700 -26.714 10.223 1.00 41.04 C ATOM 1196 OD1 ASN A 556 -1.730 -26.845 9.562 1.00 73.13 O ATOM 1197 ND2 ASN A 556 0.202 -27.681 10.344 1.00 60.13 N ATOM 0 H ASN A 556 0.283 -22.628 11.235 1.00 74.12 H new ATOM 0 HA ASN A 556 0.605 -24.714 9.183 1.00 51.40 H new ATOM 0 HB2 ASN A 556 0.400 -25.582 11.669 1.00 73.32 H new ATOM 0 HB3 ASN A 556 -1.279 -25.107 11.513 1.00 73.32 H new ATOM 0 HD21 ASN A 556 0.055 -28.577 9.879 1.00 60.13 H new ATOM 0 HD22 ASN A 556 1.042 -27.528 10.902 1.00 60.13 H new ATOM 1204 N MET A 557 -1.042 -22.881 8.321 1.00 73.31 N ATOM 1205 CA MET A 557 -2.149 -22.210 7.649 1.00 1.22 C ATOM 1206 C MET A 557 -2.365 -22.783 6.252 1.00 12.02 C ATOM 1207 O MET A 557 -1.588 -23.616 5.787 1.00 43.32 O ATOM 1208 CB MET A 557 -1.883 -20.706 7.560 1.00 2.15 C ATOM 1209 CG MET A 557 -0.418 -20.359 7.351 1.00 24.31 C ATOM 1210 SD MET A 557 0.195 -20.878 5.737 1.00 51.15 S ATOM 1211 CE MET A 557 -0.529 -19.625 4.681 1.00 14.02 C ATOM 0 H MET A 557 -0.128 -22.707 7.904 1.00 73.31 H new ATOM 0 HA MET A 557 -3.052 -22.378 8.235 1.00 1.22 H new ATOM 0 HB2 MET A 557 -2.467 -20.290 6.739 1.00 2.15 H new ATOM 0 HB3 MET A 557 -2.234 -20.229 8.475 1.00 2.15 H new ATOM 0 HG2 MET A 557 -0.285 -19.282 7.457 1.00 24.31 H new ATOM 0 HG3 MET A 557 0.178 -20.832 8.131 1.00 24.31 H new ATOM 0 HE1 MET A 557 -0.089 -19.690 3.686 1.00 14.02 H new ATOM 0 HE2 MET A 557 -1.605 -19.784 4.613 1.00 14.02 H new ATOM 0 HE3 MET A 557 -0.333 -18.638 5.101 1.00 14.02 H new ATOM 1221 N GLN A 558 -3.425 -22.332 5.590 1.00 54.32 N ATOM 1222 CA GLN A 558 -3.743 -22.801 4.246 1.00 30.54 C ATOM 1223 C GLN A 558 -4.392 -21.695 3.422 1.00 14.31 C ATOM 1224 O GLN A 558 -5.338 -21.045 3.871 1.00 5.21 O ATOM 1225 CB GLN A 558 -4.672 -24.015 4.314 1.00 23.10 C ATOM 1226 CG GLN A 558 -4.278 -25.024 5.381 1.00 42.12 C ATOM 1227 CD GLN A 558 -4.970 -26.361 5.204 1.00 41.04 C ATOM 1228 OE1 GLN A 558 -4.710 -27.085 4.242 1.00 53.22 O ATOM 1229 NE2 GLN A 558 -5.857 -26.697 6.133 1.00 2.41 N ATOM 0 H GLN A 558 -4.078 -21.643 5.962 1.00 54.32 H new ATOM 0 HA GLN A 558 -2.812 -23.091 3.760 1.00 30.54 H new ATOM 0 HB2 GLN A 558 -5.689 -23.673 4.507 1.00 23.10 H new ATOM 0 HB3 GLN A 558 -4.681 -24.510 3.343 1.00 23.10 H new ATOM 0 HG2 GLN A 558 -3.198 -25.172 5.355 1.00 42.12 H new ATOM 0 HG3 GLN A 558 -4.521 -24.621 6.364 1.00 42.12 H new ATOM 0 HE21 GLN A 558 -6.042 -26.067 6.913 1.00 2.41 H new ATOM 0 HE22 GLN A 558 -6.354 -27.585 6.066 1.00 2.41 H new ATOM 1238 N LEU A 559 -3.880 -21.485 2.215 1.00 43.03 N ATOM 1239 CA LEU A 559 -4.410 -20.456 1.327 1.00 44.13 C ATOM 1240 C LEU A 559 -5.827 -20.800 0.879 1.00 4.22 C ATOM 1241 O LEU A 559 -6.046 -21.791 0.181 1.00 4.04 O ATOM 1242 CB LEU A 559 -3.503 -20.292 0.106 1.00 43.41 C ATOM 1243 CG LEU A 559 -3.823 -19.113 -0.814 1.00 44.02 C ATOM 1244 CD1 LEU A 559 -5.015 -19.437 -1.701 1.00 44.35 C ATOM 1245 CD2 LEU A 559 -4.088 -17.856 0.002 1.00 75.32 C ATOM 0 H LEU A 559 -3.098 -22.014 1.828 1.00 43.03 H new ATOM 0 HA LEU A 559 -4.441 -19.516 1.878 1.00 44.13 H new ATOM 0 HB2 LEU A 559 -2.475 -20.188 0.453 1.00 43.41 H new ATOM 0 HB3 LEU A 559 -3.549 -21.209 -0.482 1.00 43.41 H new ATOM 0 HG LEU A 559 -2.959 -18.931 -1.454 1.00 44.02 H new ATOM 0 HD11 LEU A 559 -5.228 -18.587 -2.349 1.00 44.35 H new ATOM 0 HD12 LEU A 559 -4.787 -20.311 -2.312 1.00 44.35 H new ATOM 0 HD13 LEU A 559 -5.885 -19.646 -1.079 1.00 44.35 H new ATOM 0 HD21 LEU A 559 -4.314 -17.027 -0.669 1.00 75.32 H new ATOM 0 HD22 LEU A 559 -4.935 -18.026 0.667 1.00 75.32 H new ATOM 0 HD23 LEU A 559 -3.205 -17.613 0.594 1.00 75.32 H new ATOM 1257 N LEU A 560 -6.786 -19.974 1.283 1.00 23.11 N ATOM 1258 CA LEU A 560 -8.183 -20.189 0.922 1.00 64.11 C ATOM 1259 C LEU A 560 -8.657 -19.134 -0.072 1.00 3.51 C ATOM 1260 O LEU A 560 -9.540 -19.388 -0.889 1.00 72.13 O ATOM 1261 CB LEU A 560 -9.063 -20.161 2.172 1.00 14.22 C ATOM 1262 CG LEU A 560 -9.421 -18.775 2.710 1.00 53.21 C ATOM 1263 CD1 LEU A 560 -10.736 -18.294 2.114 1.00 23.45 C ATOM 1264 CD2 LEU A 560 -9.498 -18.796 4.230 1.00 52.25 C ATOM 0 H LEU A 560 -6.622 -19.149 1.861 1.00 23.11 H new ATOM 0 HA LEU A 560 -8.264 -21.168 0.450 1.00 64.11 H new ATOM 0 HB2 LEU A 560 -9.988 -20.694 1.953 1.00 14.22 H new ATOM 0 HB3 LEU A 560 -8.556 -20.715 2.962 1.00 14.22 H new ATOM 0 HG LEU A 560 -8.636 -18.078 2.416 1.00 53.21 H new ATOM 0 HD11 LEU A 560 -10.975 -17.306 2.508 1.00 23.45 H new ATOM 0 HD12 LEU A 560 -10.645 -18.239 1.029 1.00 23.45 H new ATOM 0 HD13 LEU A 560 -11.531 -18.991 2.377 1.00 23.45 H new ATOM 0 HD21 LEU A 560 -9.754 -17.801 4.595 1.00 52.25 H new ATOM 0 HD22 LEU A 560 -10.262 -19.506 4.546 1.00 52.25 H new ATOM 0 HD23 LEU A 560 -8.533 -19.096 4.639 1.00 52.25 H new ATOM 1276 N GLY A 561 -8.061 -17.947 0.003 1.00 20.13 N ATOM 1277 CA GLY A 561 -8.434 -16.871 -0.897 1.00 31.45 C ATOM 1278 C GLY A 561 -7.792 -17.009 -2.263 1.00 31.42 C ATOM 1279 O GLY A 561 -7.427 -18.110 -2.676 1.00 44.10 O ATOM 0 H GLY A 561 -7.327 -17.712 0.671 1.00 20.13 H new ATOM 0 HA2 GLY A 561 -9.518 -16.854 -1.009 1.00 31.45 H new ATOM 0 HA3 GLY A 561 -8.144 -15.917 -0.457 1.00 31.45 H new ATOM 1283 N ASP A 562 -7.656 -15.891 -2.966 1.00 50.23 N ATOM 1284 CA ASP A 562 -7.054 -15.892 -4.295 1.00 14.53 C ATOM 1285 C ASP A 562 -6.801 -14.467 -4.777 1.00 51.33 C ATOM 1286 O ASP A 562 -7.720 -13.651 -4.845 1.00 31.14 O ATOM 1287 CB ASP A 562 -7.958 -16.626 -5.287 1.00 23.14 C ATOM 1288 CG ASP A 562 -7.366 -16.676 -6.682 1.00 1.45 C ATOM 1289 OD1 ASP A 562 -6.247 -17.208 -6.832 1.00 44.11 O ATOM 1290 OD2 ASP A 562 -8.022 -16.181 -7.623 1.00 22.25 O ATOM 0 H ASP A 562 -7.954 -14.972 -2.639 1.00 50.23 H new ATOM 0 HA ASP A 562 -6.098 -16.411 -4.234 1.00 14.53 H new ATOM 0 HB2 ASP A 562 -8.132 -17.642 -4.933 1.00 23.14 H new ATOM 0 HB3 ASP A 562 -8.928 -16.131 -5.325 1.00 23.14 H new ATOM 1295 N ALA A 563 -5.548 -14.174 -5.111 1.00 33.31 N ATOM 1296 CA ALA A 563 -5.174 -12.849 -5.588 1.00 13.32 C ATOM 1297 C ALA A 563 -6.078 -12.402 -6.732 1.00 43.12 C ATOM 1298 O ALA A 563 -6.133 -13.047 -7.779 1.00 2.12 O ATOM 1299 CB ALA A 563 -3.718 -12.838 -6.028 1.00 3.45 C ATOM 0 H ALA A 563 -4.775 -14.837 -5.060 1.00 33.31 H new ATOM 0 HA ALA A 563 -5.299 -12.145 -4.765 1.00 13.32 H new ATOM 0 HB1 ALA A 563 -3.452 -11.842 -6.382 1.00 3.45 H new ATOM 0 HB2 ALA A 563 -3.081 -13.105 -5.185 1.00 3.45 H new ATOM 0 HB3 ALA A 563 -3.576 -13.559 -6.833 1.00 3.45 H new ATOM 1305 N GLN A 564 -6.784 -11.295 -6.525 1.00 31.42 N ATOM 1306 CA GLN A 564 -7.686 -10.764 -7.540 1.00 33.23 C ATOM 1307 C GLN A 564 -6.969 -10.607 -8.877 1.00 14.34 C ATOM 1308 O GLN A 564 -7.208 -11.368 -9.815 1.00 31.34 O ATOM 1309 CB GLN A 564 -8.256 -9.417 -7.091 1.00 60.23 C ATOM 1310 CG GLN A 564 -9.671 -9.161 -7.583 1.00 74.31 C ATOM 1311 CD GLN A 564 -9.719 -8.772 -9.047 1.00 50.53 C ATOM 1312 OE1 GLN A 564 -8.939 -7.935 -9.505 1.00 33.52 O ATOM 1313 NE2 GLN A 564 -10.637 -9.377 -9.792 1.00 22.02 N ATOM 0 H GLN A 564 -6.749 -10.749 -5.664 1.00 31.42 H new ATOM 0 HA GLN A 564 -8.505 -11.472 -7.669 1.00 33.23 H new ATOM 0 HB2 GLN A 564 -8.245 -9.372 -6.002 1.00 60.23 H new ATOM 0 HB3 GLN A 564 -7.606 -8.619 -7.449 1.00 60.23 H new ATOM 0 HG2 GLN A 564 -10.273 -10.057 -7.429 1.00 74.31 H new ATOM 0 HG3 GLN A 564 -10.121 -8.368 -6.986 1.00 74.31 H new ATOM 0 HE21 GLN A 564 -11.263 -10.064 -9.372 1.00 22.02 H new ATOM 0 HE22 GLN A 564 -10.716 -9.154 -10.784 1.00 22.02 H new