USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 956 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 644 GLN :FLIP amide:sc= -1.42 F(o=-1.6,f=-0.9) USER MOD Set 1.2: A 714 TYR OH : rot 111:sc= 0.522 USER MOD Set 2.1: A 692 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 711 ASN :FLIP amide:sc= 0.0826 F(o=-4.1!,f=-0.67) USER MOD Set 2.3: A 715 ASN :FLIP amide:sc= -0.756 F(o=-1.6!,f=-0.67) USER MOD Set 3.1: A 681 ASN : amide:sc= 0.752 K(o=1.6,f=-9.5!) USER MOD Set 3.2: A 685 THR OG1 : rot -170:sc= 0.894 USER MOD Set 4.1: A 663 SER OG : rot -15:sc= 1.74 USER MOD Set 4.2: A 672 THR OG1 : rot 109:sc= 0.505 USER MOD Set 5.1: A 585 SER OG : rot -111:sc= 1.32 USER MOD Set 5.2: A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 587 THR OG1 : rot 177:sc= 1.14 USER MOD Single : A 591 ASN : amide:sc= 0.0365 K(o=0.036,f=-4.7!) USER MOD Single : A 593 THR OG1 : rot -71:sc= 0.553 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 598 GLN : amide:sc= 0.521 K(o=0.52,f=-0.17) USER MOD Single : A 602 SER OG : rot 34:sc= 0.0594 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0692 USER MOD Single : A 609 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 21:sc= 0.905 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -28:sc= 0.771 USER MOD Single : A 620 LYS NZ :NH3+ 175:sc=-0.00249 (180deg=-0.0489) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : +bothHN:sc= -2.4! C(o=-2.4!,f=-7.6!) USER MOD Single : A 626 ASN : amide:sc= 0.43 K(o=0.43,f=-7.6!) USER MOD Single : A 632 SER OG : rot 130:sc= 0 USER MOD Single : A 640 SER OG : rot -54:sc= 1.25 USER MOD Single : A 646 SER OG : rot 176:sc= 1.97 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 168:sc= -0.0147 (180deg=-0.206) USER MOD Single : A 652 SER OG : rot -150:sc= 1.28 USER MOD Single : A 654 ASN : amide:sc= 0.127 K(o=0.13,f=-8.7!) USER MOD Single : A 658 SER OG : rot 32:sc= 0.308 USER MOD Single : A 659 ASN : amide:sc= -0.963 K(o=-0.96,f=-4.5!) USER MOD Single : A 661 LYS NZ :NH3+ -173:sc= 0.315 (180deg=0.3) USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 156:sc= -0.195 (180deg=-0.902) USER MOD Single : A 670 GLN :FLIP amide:sc= -1.04 F(o=-3!,f=-1) USER MOD Single : A 673 TYR OH : rot -150:sc= 1.19 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 679 TYR OH : rot -150:sc= -1.28! USER MOD Single : A 680 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.016) USER MOD Single : A 683 LYS NZ :NH3+ 170:sc= -0.0114 (180deg=-0.132) USER MOD Single : A 689 THR OG1 : rot 70:sc= 0.363 USER MOD Single : A 706 TYR OH : rot 180:sc= 0.4 USER MOD Single : A 707 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.12) USER MOD Single : A 712 SER OG : rot -10:sc= 1.24 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 720 THR OG1 : rot 110:sc= 1.26 USER MOD Single : A 721 SER OG : rot 180:sc= 0.00311 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 578 -13.423 0.011 -17.013 1.00 3.12 N ATOM 2 CA GLU A 578 -14.720 -0.166 -16.365 1.00 31.24 C ATOM 3 C GLU A 578 -14.496 -0.396 -14.889 1.00 33.02 C ATOM 4 O GLU A 578 -13.349 -0.556 -14.451 1.00 55.04 O ATOM 5 CB GLU A 578 -15.531 -1.350 -16.961 1.00 21.15 C ATOM 6 CG GLU A 578 -15.833 -1.277 -18.462 1.00 24.41 C ATOM 7 CD GLU A 578 -14.602 -1.412 -19.311 1.00 64.31 C ATOM 8 OE1 GLU A 578 -14.231 -2.547 -19.643 1.00 5.23 O ATOM 9 OE2 GLU A 578 -13.962 -0.390 -19.620 1.00 73.05 O ATOM 0 HA GLU A 578 -15.306 0.737 -16.536 1.00 31.24 H new ATOM 0 HB2 GLU A 578 -14.984 -2.272 -16.766 1.00 21.15 H new ATOM 0 HB3 GLU A 578 -16.477 -1.421 -16.424 1.00 21.15 H new ATOM 0 HG2 GLU A 578 -16.538 -2.066 -18.725 1.00 24.41 H new ATOM 0 HG3 GLU A 578 -16.320 -0.327 -18.684 1.00 24.41 H new ATOM 18 N ALA A 579 -15.560 -0.411 -14.125 1.00 55.13 N ATOM 19 CA ALA A 579 -15.470 -0.650 -12.706 1.00 32.13 C ATOM 20 C ALA A 579 -16.545 -1.621 -12.298 1.00 2.03 C ATOM 21 O ALA A 579 -17.730 -1.374 -12.537 1.00 61.35 O ATOM 22 CB ALA A 579 -15.601 0.653 -11.928 1.00 1.35 C ATOM 0 H ALA A 579 -16.509 -0.259 -14.467 1.00 55.13 H new ATOM 0 HA ALA A 579 -14.493 -1.076 -12.477 1.00 32.13 H new ATOM 0 HB1 ALA A 579 -15.530 0.448 -10.860 1.00 1.35 H new ATOM 0 HB2 ALA A 579 -14.801 1.333 -12.221 1.00 1.35 H new ATOM 0 HB3 ALA A 579 -16.566 1.112 -12.146 1.00 1.35 H new ATOM 28 N GLU A 580 -16.150 -2.710 -11.701 1.00 15.11 N ATOM 29 CA GLU A 580 -17.086 -3.723 -11.297 1.00 63.20 C ATOM 30 C GLU A 580 -17.483 -3.492 -9.839 1.00 52.34 C ATOM 31 O GLU A 580 -16.706 -2.946 -9.062 1.00 34.44 O ATOM 32 CB GLU A 580 -16.480 -5.122 -11.506 1.00 1.21 C ATOM 33 CG GLU A 580 -17.435 -6.268 -11.223 1.00 45.22 C ATOM 34 CD GLU A 580 -18.689 -6.180 -12.056 1.00 63.33 C ATOM 35 OE1 GLU A 580 -18.711 -6.719 -13.188 1.00 3.12 O ATOM 36 OE2 GLU A 580 -19.662 -5.555 -11.603 1.00 15.54 O ATOM 0 H GLU A 580 -15.176 -2.921 -11.481 1.00 15.11 H new ATOM 0 HA GLU A 580 -17.984 -3.662 -11.911 1.00 63.20 H new ATOM 0 HB2 GLU A 580 -16.130 -5.203 -12.535 1.00 1.21 H new ATOM 0 HB3 GLU A 580 -15.606 -5.226 -10.863 1.00 1.21 H new ATOM 0 HG2 GLU A 580 -16.933 -7.215 -11.422 1.00 45.22 H new ATOM 0 HG3 GLU A 580 -17.701 -6.265 -10.166 1.00 45.22 H new ATOM 43 N ALA A 581 -18.682 -3.888 -9.487 1.00 70.12 N ATOM 44 CA ALA A 581 -19.206 -3.673 -8.151 1.00 55.42 C ATOM 45 C ALA A 581 -19.864 -4.947 -7.641 1.00 45.00 C ATOM 46 O ALA A 581 -20.791 -4.902 -6.820 1.00 43.55 O ATOM 47 CB ALA A 581 -20.213 -2.534 -8.187 1.00 3.33 C ATOM 0 H ALA A 581 -19.326 -4.369 -10.115 1.00 70.12 H new ATOM 0 HA ALA A 581 -18.392 -3.411 -7.475 1.00 55.42 H new ATOM 0 HB1 ALA A 581 -20.610 -2.368 -7.186 1.00 3.33 H new ATOM 0 HB2 ALA A 581 -19.723 -1.626 -8.538 1.00 3.33 H new ATOM 0 HB3 ALA A 581 -21.029 -2.791 -8.863 1.00 3.33 H new ATOM 53 N GLU A 582 -19.353 -6.077 -8.099 1.00 73.04 N ATOM 54 CA GLU A 582 -19.893 -7.373 -7.742 1.00 64.42 C ATOM 55 C GLU A 582 -19.553 -7.738 -6.290 1.00 61.01 C ATOM 56 O GLU A 582 -18.450 -8.238 -5.996 1.00 72.21 O ATOM 57 CB GLU A 582 -19.371 -8.468 -8.694 1.00 44.35 C ATOM 58 CG GLU A 582 -19.913 -9.864 -8.405 1.00 23.23 C ATOM 59 CD GLU A 582 -19.266 -10.930 -9.257 1.00 44.44 C ATOM 60 OE1 GLU A 582 -19.682 -11.125 -10.418 1.00 3.21 O ATOM 61 OE2 GLU A 582 -18.339 -11.609 -8.776 1.00 12.22 O ATOM 0 H GLU A 582 -18.552 -6.119 -8.729 1.00 73.04 H new ATOM 0 HA GLU A 582 -20.977 -7.311 -7.837 1.00 64.42 H new ATOM 0 HB2 GLU A 582 -19.629 -8.196 -9.717 1.00 44.35 H new ATOM 0 HB3 GLU A 582 -18.283 -8.495 -8.636 1.00 44.35 H new ATOM 0 HG2 GLU A 582 -19.754 -10.100 -7.353 1.00 23.23 H new ATOM 0 HG3 GLU A 582 -20.990 -9.873 -8.575 1.00 23.23 H new ATOM 68 N PHE A 583 -20.459 -7.451 -5.384 1.00 70.24 N ATOM 69 CA PHE A 583 -20.286 -7.851 -4.011 1.00 55.43 C ATOM 70 C PHE A 583 -20.756 -9.275 -3.820 1.00 42.02 C ATOM 71 O PHE A 583 -21.884 -9.538 -3.410 1.00 73.32 O ATOM 72 CB PHE A 583 -20.951 -6.895 -3.001 1.00 1.14 C ATOM 73 CG PHE A 583 -20.354 -5.512 -2.976 1.00 41.44 C ATOM 74 CD1 PHE A 583 -19.201 -5.256 -2.246 1.00 33.45 C ATOM 75 CD2 PHE A 583 -20.943 -4.471 -3.673 1.00 40.03 C ATOM 76 CE1 PHE A 583 -18.647 -3.990 -2.218 1.00 41.13 C ATOM 77 CE2 PHE A 583 -20.393 -3.200 -3.649 1.00 11.41 C ATOM 78 CZ PHE A 583 -19.245 -2.962 -2.920 1.00 3.52 C ATOM 0 H PHE A 583 -21.322 -6.942 -5.575 1.00 70.24 H new ATOM 0 HA PHE A 583 -19.218 -7.796 -3.799 1.00 55.43 H new ATOM 0 HB2 PHE A 583 -22.012 -6.816 -3.236 1.00 1.14 H new ATOM 0 HB3 PHE A 583 -20.877 -7.329 -2.004 1.00 1.14 H new ATOM 0 HD1 PHE A 583 -18.731 -6.056 -1.693 1.00 33.45 H new ATOM 0 HD2 PHE A 583 -21.843 -4.652 -4.243 1.00 40.03 H new ATOM 0 HE1 PHE A 583 -17.748 -3.805 -1.648 1.00 41.13 H new ATOM 0 HE2 PHE A 583 -20.861 -2.397 -4.199 1.00 11.41 H new ATOM 0 HZ PHE A 583 -18.815 -1.972 -2.899 1.00 3.52 H new ATOM 88 N LEU A 584 -19.908 -10.173 -4.232 1.00 24.44 N ATOM 89 CA LEU A 584 -20.110 -11.597 -4.109 1.00 50.01 C ATOM 90 C LEU A 584 -18.719 -12.194 -4.028 1.00 43.40 C ATOM 91 O LEU A 584 -18.376 -12.900 -3.088 1.00 50.42 O ATOM 92 CB LEU A 584 -20.899 -12.132 -5.348 1.00 25.13 C ATOM 93 CG LEU A 584 -21.425 -13.601 -5.325 1.00 63.10 C ATOM 94 CD1 LEU A 584 -20.310 -14.637 -5.309 1.00 21.41 C ATOM 95 CD2 LEU A 584 -22.364 -13.812 -4.147 1.00 34.50 C ATOM 0 H LEU A 584 -19.024 -9.930 -4.679 1.00 24.44 H new ATOM 0 HA LEU A 584 -20.699 -11.864 -3.231 1.00 50.01 H new ATOM 0 HB2 LEU A 584 -21.756 -11.477 -5.502 1.00 25.13 H new ATOM 0 HB3 LEU A 584 -20.255 -12.025 -6.221 1.00 25.13 H new ATOM 0 HG LEU A 584 -21.972 -13.749 -6.256 1.00 63.10 H new ATOM 0 HD11 LEU A 584 -20.743 -15.637 -5.293 1.00 21.41 H new ATOM 0 HD12 LEU A 584 -19.694 -14.522 -6.201 1.00 21.41 H new ATOM 0 HD13 LEU A 584 -19.694 -14.494 -4.421 1.00 21.41 H new ATOM 0 HD21 LEU A 584 -22.721 -14.842 -4.146 1.00 34.50 H new ATOM 0 HD22 LEU A 584 -21.832 -13.612 -3.217 1.00 34.50 H new ATOM 0 HD23 LEU A 584 -23.213 -13.134 -4.232 1.00 34.50 H new ATOM 103 N SER A 585 -17.911 -11.854 -5.011 1.00 10.25 N ATOM 104 CA SER A 585 -16.518 -12.239 -5.050 1.00 60.41 C ATOM 105 C SER A 585 -15.706 -11.247 -4.229 1.00 33.53 C ATOM 106 O SER A 585 -14.549 -11.479 -3.891 1.00 4.02 O ATOM 107 CB SER A 585 -16.074 -12.228 -6.492 1.00 74.11 C ATOM 108 OG SER A 585 -16.440 -10.994 -7.097 1.00 43.54 O ATOM 0 H SER A 585 -18.207 -11.297 -5.813 1.00 10.25 H new ATOM 0 HA SER A 585 -16.372 -13.235 -4.631 1.00 60.41 H new ATOM 0 HB2 SER A 585 -14.995 -12.367 -6.551 1.00 74.11 H new ATOM 0 HB3 SER A 585 -16.532 -13.058 -7.030 1.00 74.11 H new ATOM 0 HG SER A 585 -17.145 -11.151 -7.759 1.00 43.54 H new ATOM 114 N ARG A 586 -16.360 -10.161 -3.909 1.00 52.54 N ATOM 115 CA ARG A 586 -15.826 -9.085 -3.144 1.00 44.12 C ATOM 116 C ARG A 586 -16.633 -8.948 -1.898 1.00 21.01 C ATOM 117 O ARG A 586 -17.866 -8.904 -1.942 1.00 32.44 O ATOM 118 CB ARG A 586 -15.845 -7.752 -3.915 1.00 51.50 C ATOM 119 CG ARG A 586 -15.397 -6.554 -3.063 1.00 71.13 C ATOM 120 CD ARG A 586 -15.436 -5.254 -3.834 1.00 65.33 C ATOM 121 NE ARG A 586 -15.136 -4.094 -2.977 1.00 60.01 N ATOM 122 CZ ARG A 586 -14.806 -2.874 -3.424 1.00 30.12 C ATOM 123 NH1 ARG A 586 -14.665 -2.647 -4.739 1.00 42.22 N ATOM 124 NH2 ARG A 586 -14.623 -1.886 -2.558 1.00 2.34 N ATOM 0 H ARG A 586 -17.327 -10.004 -4.193 1.00 52.54 H new ATOM 0 HA ARG A 586 -14.784 -9.312 -2.917 1.00 44.12 H new ATOM 0 HB2 ARG A 586 -15.194 -7.834 -4.786 1.00 51.50 H new ATOM 0 HB3 ARG A 586 -16.853 -7.569 -4.286 1.00 51.50 H new ATOM 0 HG2 ARG A 586 -16.040 -6.473 -2.187 1.00 71.13 H new ATOM 0 HG3 ARG A 586 -14.384 -6.728 -2.700 1.00 71.13 H new ATOM 0 HD2 ARG A 586 -14.717 -5.296 -4.652 1.00 65.33 H new ATOM 0 HD3 ARG A 586 -16.421 -5.128 -4.282 1.00 65.33 H new ATOM 0 HE ARG A 586 -15.183 -4.229 -1.967 1.00 60.01 H new ATOM 0 HH11 ARG A 586 -14.809 -3.405 -5.406 1.00 42.22 H new ATOM 0 HH12 ARG A 586 -14.414 -1.716 -5.072 1.00 42.22 H new ATOM 0 HH21 ARG A 586 -14.733 -2.057 -1.559 1.00 2.34 H new ATOM 0 HH22 ARG A 586 -14.372 -0.955 -2.892 1.00 2.34 H new ATOM 136 N THR A 587 -15.964 -8.906 -0.834 1.00 52.31 N ATOM 137 CA THR A 587 -16.533 -8.752 0.443 1.00 72.14 C ATOM 138 C THR A 587 -15.900 -7.517 1.054 1.00 23.04 C ATOM 139 O THR A 587 -14.704 -7.320 0.917 1.00 45.41 O ATOM 140 CB THR A 587 -16.201 -10.004 1.235 1.00 65.42 C ATOM 141 OG1 THR A 587 -16.640 -11.140 0.483 1.00 1.13 O ATOM 142 CG2 THR A 587 -16.873 -10.027 2.572 1.00 74.44 C ATOM 0 H THR A 587 -14.947 -8.981 -0.817 1.00 52.31 H new ATOM 0 HA THR A 587 -17.616 -8.627 0.426 1.00 72.14 H new ATOM 0 HB THR A 587 -15.124 -10.021 1.405 1.00 65.42 H new ATOM 0 HG1 THR A 587 -16.386 -11.962 0.953 1.00 1.13 H new ATOM 0 HG21 THR A 587 -16.604 -10.942 3.099 1.00 74.44 H new ATOM 0 HG22 THR A 587 -16.552 -9.164 3.156 1.00 74.44 H new ATOM 0 HG23 THR A 587 -17.954 -9.991 2.437 1.00 74.44 H new ATOM 148 N GLU A 588 -16.676 -6.682 1.666 1.00 30.51 N ATOM 149 CA GLU A 588 -16.155 -5.441 2.164 1.00 2.42 C ATOM 150 C GLU A 588 -15.994 -5.500 3.688 1.00 40.32 C ATOM 151 O GLU A 588 -16.808 -6.119 4.401 1.00 52.11 O ATOM 152 CB GLU A 588 -17.081 -4.285 1.747 1.00 35.33 C ATOM 153 CG GLU A 588 -16.486 -2.902 1.950 1.00 20.04 C ATOM 154 CD GLU A 588 -15.244 -2.691 1.103 1.00 12.12 C ATOM 155 OE1 GLU A 588 -14.169 -3.109 1.516 1.00 2.23 O ATOM 156 OE2 GLU A 588 -15.350 -2.098 0.004 1.00 31.34 O ATOM 0 H GLU A 588 -17.671 -6.832 1.835 1.00 30.51 H new ATOM 0 HA GLU A 588 -15.169 -5.267 1.733 1.00 2.42 H new ATOM 0 HB2 GLU A 588 -17.341 -4.405 0.695 1.00 35.33 H new ATOM 0 HB3 GLU A 588 -18.009 -4.355 2.315 1.00 35.33 H new ATOM 0 HG2 GLU A 588 -17.230 -2.146 1.698 1.00 20.04 H new ATOM 0 HG3 GLU A 588 -16.236 -2.765 3.002 1.00 20.04 H new ATOM 163 N GLY A 589 -14.938 -4.901 4.165 1.00 41.44 N ATOM 164 CA GLY A 589 -14.678 -4.829 5.575 1.00 43.53 C ATOM 165 C GLY A 589 -15.054 -3.485 6.118 1.00 12.24 C ATOM 166 O GLY A 589 -15.829 -2.749 5.482 1.00 52.41 O ATOM 0 H GLY A 589 -14.232 -4.448 3.585 1.00 41.44 H new ATOM 0 HA2 GLY A 589 -15.241 -5.606 6.093 1.00 43.53 H new ATOM 0 HA3 GLY A 589 -13.622 -5.020 5.765 1.00 43.53 H new ATOM 170 N ASP A 590 -14.544 -3.142 7.275 1.00 70.13 N ATOM 171 CA ASP A 590 -14.861 -1.852 7.844 1.00 42.41 C ATOM 172 C ASP A 590 -13.628 -1.157 8.396 1.00 51.42 C ATOM 173 O ASP A 590 -13.083 -0.276 7.756 1.00 42.35 O ATOM 174 CB ASP A 590 -15.970 -1.950 8.902 1.00 31.21 C ATOM 175 CG ASP A 590 -16.397 -0.596 9.409 1.00 73.21 C ATOM 176 OD1 ASP A 590 -17.218 0.057 8.737 1.00 12.23 O ATOM 177 OD2 ASP A 590 -15.927 -0.154 10.463 1.00 43.41 O ATOM 0 H ASP A 590 -13.919 -3.724 7.834 1.00 70.13 H new ATOM 0 HA ASP A 590 -15.243 -1.235 7.030 1.00 42.41 H new ATOM 0 HB2 ASP A 590 -16.831 -2.464 8.476 1.00 31.21 H new ATOM 0 HB3 ASP A 590 -15.619 -2.555 9.738 1.00 31.21 H new ATOM 182 N ASN A 591 -13.197 -1.552 9.572 1.00 4.34 N ATOM 183 CA ASN A 591 -12.039 -0.934 10.217 1.00 24.34 C ATOM 184 C ASN A 591 -10.776 -1.807 10.195 1.00 23.22 C ATOM 185 O ASN A 591 -10.590 -2.664 11.071 1.00 43.20 O ATOM 186 CB ASN A 591 -12.357 -0.463 11.657 1.00 11.34 C ATOM 187 CG ASN A 591 -12.831 -1.575 12.596 1.00 45.24 C ATOM 188 OD1 ASN A 591 -13.490 -2.538 12.177 1.00 23.42 O ATOM 189 ND2 ASN A 591 -12.484 -1.462 13.856 1.00 24.13 N ATOM 0 H ASN A 591 -13.628 -2.303 10.112 1.00 4.34 H new ATOM 0 HA ASN A 591 -11.816 -0.056 9.610 1.00 24.34 H new ATOM 0 HB2 ASN A 591 -11.465 -0.002 12.081 1.00 11.34 H new ATOM 0 HB3 ASN A 591 -13.124 0.310 11.612 1.00 11.34 H new ATOM 0 HD21 ASN A 591 -12.757 -2.181 14.527 1.00 24.13 H new ATOM 0 HD22 ASN A 591 -11.941 -0.656 14.165 1.00 24.13 H new ATOM 195 N CYS A 592 -9.937 -1.642 9.149 1.00 4.34 N ATOM 196 CA CYS A 592 -8.614 -2.312 9.046 1.00 2.12 C ATOM 197 C CYS A 592 -8.714 -3.839 8.996 1.00 73.14 C ATOM 198 O CYS A 592 -7.695 -4.542 8.967 1.00 53.22 O ATOM 199 CB CYS A 592 -7.705 -1.882 10.206 1.00 2.12 C ATOM 200 SG CYS A 592 -7.408 -0.084 10.298 1.00 74.51 S ATOM 0 H CYS A 592 -10.153 -1.043 8.352 1.00 4.34 H new ATOM 0 HA CYS A 592 -8.180 -1.993 8.098 1.00 2.12 H new ATOM 0 HB2 CYS A 592 -8.151 -2.214 11.144 1.00 2.12 H new ATOM 0 HB3 CYS A 592 -6.747 -2.393 10.110 1.00 2.12 H new ATOM 205 N THR A 593 -9.918 -4.342 8.962 1.00 15.01 N ATOM 206 CA THR A 593 -10.147 -5.744 8.959 1.00 0.12 C ATOM 207 C THR A 593 -11.240 -6.079 7.977 1.00 30.11 C ATOM 208 O THR A 593 -12.173 -5.282 7.769 1.00 71.24 O ATOM 209 CB THR A 593 -10.589 -6.208 10.376 1.00 22.35 C ATOM 210 OG1 THR A 593 -11.693 -5.399 10.819 1.00 23.34 O ATOM 211 CG2 THR A 593 -9.465 -6.091 11.383 1.00 4.20 C ATOM 0 H THR A 593 -10.768 -3.778 8.936 1.00 15.01 H new ATOM 0 HA THR A 593 -9.225 -6.251 8.675 1.00 0.12 H new ATOM 0 HB THR A 593 -10.879 -7.256 10.307 1.00 22.35 H new ATOM 0 HG1 THR A 593 -11.376 -4.493 11.018 1.00 23.34 H new ATOM 0 HG21 THR A 593 -9.815 -6.425 12.360 1.00 4.20 H new ATOM 0 HG22 THR A 593 -8.627 -6.712 11.066 1.00 4.20 H new ATOM 0 HG23 THR A 593 -9.142 -5.052 11.449 1.00 4.20 H new ATOM 217 N VAL A 594 -11.112 -7.209 7.357 1.00 23.12 N ATOM 218 CA VAL A 594 -12.126 -7.718 6.490 1.00 41.43 C ATOM 219 C VAL A 594 -12.424 -9.166 6.853 1.00 50.34 C ATOM 220 O VAL A 594 -11.501 -9.945 7.108 1.00 45.14 O ATOM 221 CB VAL A 594 -11.748 -7.578 4.979 1.00 22.43 C ATOM 222 CG1 VAL A 594 -10.468 -8.337 4.631 1.00 72.31 C ATOM 223 CG2 VAL A 594 -12.903 -8.017 4.086 1.00 4.11 C ATOM 0 H VAL A 594 -10.292 -7.810 7.439 1.00 23.12 H new ATOM 0 HA VAL A 594 -13.024 -7.118 6.633 1.00 41.43 H new ATOM 0 HB VAL A 594 -11.553 -6.522 4.794 1.00 22.43 H new ATOM 0 HG11 VAL A 594 -10.246 -8.210 3.571 1.00 72.31 H new ATOM 0 HG12 VAL A 594 -9.641 -7.947 5.224 1.00 72.31 H new ATOM 0 HG13 VAL A 594 -10.603 -9.396 4.849 1.00 72.31 H new ATOM 0 HG21 VAL A 594 -12.615 -7.910 3.040 1.00 4.11 H new ATOM 0 HG22 VAL A 594 -13.145 -9.060 4.291 1.00 4.11 H new ATOM 0 HG23 VAL A 594 -13.775 -7.395 4.288 1.00 4.11 H new ATOM 229 N PHE A 595 -13.669 -9.521 6.921 1.00 54.11 N ATOM 230 CA PHE A 595 -14.012 -10.899 7.123 1.00 35.52 C ATOM 231 C PHE A 595 -14.823 -11.402 5.980 1.00 53.15 C ATOM 232 O PHE A 595 -15.855 -10.834 5.625 1.00 63.30 O ATOM 233 CB PHE A 595 -14.687 -11.205 8.480 1.00 5.22 C ATOM 234 CG PHE A 595 -15.166 -12.650 8.576 1.00 72.53 C ATOM 235 CD1 PHE A 595 -14.291 -13.694 8.330 1.00 4.42 C ATOM 236 CD2 PHE A 595 -16.480 -12.950 8.881 1.00 60.04 C ATOM 237 CE1 PHE A 595 -14.704 -15.002 8.382 1.00 35.32 C ATOM 238 CE2 PHE A 595 -16.905 -14.267 8.940 1.00 71.40 C ATOM 239 CZ PHE A 595 -16.012 -15.292 8.687 1.00 71.44 C ATOM 0 H PHE A 595 -14.461 -8.884 6.841 1.00 54.11 H new ATOM 0 HA PHE A 595 -13.067 -11.440 7.162 1.00 35.52 H new ATOM 0 HB2 PHE A 595 -13.983 -11.004 9.287 1.00 5.22 H new ATOM 0 HB3 PHE A 595 -15.534 -10.534 8.621 1.00 5.22 H new ATOM 0 HD1 PHE A 595 -13.261 -13.475 8.092 1.00 4.42 H new ATOM 0 HD2 PHE A 595 -17.181 -12.152 9.075 1.00 60.04 H new ATOM 0 HE1 PHE A 595 -14.004 -15.800 8.184 1.00 35.32 H new ATOM 0 HE2 PHE A 595 -17.933 -14.493 9.183 1.00 71.40 H new ATOM 0 HZ PHE A 595 -16.342 -16.319 8.729 1.00 71.44 H new ATOM 249 N ASP A 596 -14.354 -12.455 5.413 1.00 45.20 N ATOM 250 CA ASP A 596 -14.988 -13.055 4.307 1.00 64.23 C ATOM 251 C ASP A 596 -15.617 -14.356 4.719 1.00 61.53 C ATOM 252 O ASP A 596 -14.928 -15.281 5.143 1.00 72.23 O ATOM 253 CB ASP A 596 -13.984 -13.271 3.234 1.00 4.34 C ATOM 254 CG ASP A 596 -14.592 -13.835 2.032 1.00 5.42 C ATOM 255 OD1 ASP A 596 -15.341 -13.132 1.324 1.00 23.44 O ATOM 256 OD2 ASP A 596 -14.381 -14.965 1.802 1.00 43.14 O ATOM 0 H ASP A 596 -13.502 -12.929 5.714 1.00 45.20 H new ATOM 0 HA ASP A 596 -15.776 -12.403 3.932 1.00 64.23 H new ATOM 0 HB2 ASP A 596 -13.504 -12.324 2.989 1.00 4.34 H new ATOM 0 HB3 ASP A 596 -13.203 -13.940 3.595 1.00 4.34 H new ATOM 261 N SER A 597 -16.915 -14.413 4.617 1.00 42.31 N ATOM 262 CA SER A 597 -17.684 -15.563 5.017 1.00 20.14 C ATOM 263 C SER A 597 -17.452 -16.753 4.081 1.00 54.24 C ATOM 264 O SER A 597 -17.384 -17.895 4.530 1.00 74.30 O ATOM 265 CB SER A 597 -19.155 -15.190 5.044 1.00 23.24 C ATOM 266 OG SER A 597 -19.360 -14.026 5.847 1.00 33.23 O ATOM 0 H SER A 597 -17.481 -13.649 4.247 1.00 42.31 H new ATOM 0 HA SER A 597 -17.360 -15.868 6.012 1.00 20.14 H new ATOM 0 HB2 SER A 597 -19.509 -15.006 4.029 1.00 23.24 H new ATOM 0 HB3 SER A 597 -19.740 -16.020 5.440 1.00 23.24 H new ATOM 0 HG SER A 597 -20.313 -13.797 5.853 1.00 33.23 H new ATOM 272 N GLN A 598 -17.302 -16.480 2.785 1.00 35.42 N ATOM 273 CA GLN A 598 -17.127 -17.534 1.809 1.00 62.15 C ATOM 274 C GLN A 598 -15.786 -18.252 1.998 1.00 40.15 C ATOM 275 O GLN A 598 -15.719 -19.478 1.905 1.00 45.14 O ATOM 276 CB GLN A 598 -17.276 -17.002 0.374 1.00 74.13 C ATOM 277 CG GLN A 598 -16.323 -15.894 0.050 1.00 23.44 C ATOM 278 CD GLN A 598 -16.390 -15.316 -1.325 1.00 71.34 C ATOM 279 OE1 GLN A 598 -16.746 -15.994 -2.301 1.00 22.32 O ATOM 280 NE2 GLN A 598 -16.035 -14.055 -1.427 1.00 33.32 N ATOM 0 H GLN A 598 -17.299 -15.537 2.396 1.00 35.42 H new ATOM 0 HA GLN A 598 -17.919 -18.265 1.972 1.00 62.15 H new ATOM 0 HB2 GLN A 598 -17.121 -17.822 -0.328 1.00 74.13 H new ATOM 0 HB3 GLN A 598 -18.297 -16.648 0.230 1.00 74.13 H new ATOM 0 HG2 GLN A 598 -16.488 -15.087 0.764 1.00 23.44 H new ATOM 0 HG3 GLN A 598 -15.310 -16.262 0.213 1.00 23.44 H new ATOM 0 HE21 GLN A 598 -15.749 -13.537 -0.596 1.00 33.32 H new ATOM 0 HE22 GLN A 598 -16.045 -13.594 -2.337 1.00 33.32 H new ATOM 288 N ALA A 599 -14.729 -17.494 2.266 1.00 13.24 N ATOM 289 CA ALA A 599 -13.427 -18.072 2.483 1.00 24.11 C ATOM 290 C ALA A 599 -13.286 -18.518 3.920 1.00 3.24 C ATOM 291 O ALA A 599 -12.486 -19.396 4.236 1.00 54.22 O ATOM 292 CB ALA A 599 -12.361 -17.028 2.187 1.00 3.12 C ATOM 0 H ALA A 599 -14.758 -16.477 2.336 1.00 13.24 H new ATOM 0 HA ALA A 599 -13.308 -18.933 1.825 1.00 24.11 H new ATOM 0 HB1 ALA A 599 -11.374 -17.460 2.350 1.00 3.12 H new ATOM 0 HB2 ALA A 599 -12.448 -16.702 1.150 1.00 3.12 H new ATOM 0 HB3 ALA A 599 -12.496 -16.172 2.849 1.00 3.12 H new ATOM 298 N GLY A 600 -14.091 -17.932 4.777 1.00 22.54 N ATOM 299 CA GLY A 600 -14.124 -18.327 6.169 1.00 32.54 C ATOM 300 C GLY A 600 -12.924 -17.833 6.957 1.00 44.24 C ATOM 301 O GLY A 600 -12.599 -18.378 8.014 1.00 10.01 O ATOM 0 H GLY A 600 -14.734 -17.178 4.535 1.00 22.54 H new ATOM 0 HA2 GLY A 600 -15.035 -17.943 6.628 1.00 32.54 H new ATOM 0 HA3 GLY A 600 -14.169 -19.414 6.231 1.00 32.54 H new ATOM 305 N PHE A 601 -12.266 -16.803 6.464 1.00 22.33 N ATOM 306 CA PHE A 601 -11.108 -16.262 7.144 1.00 10.23 C ATOM 307 C PHE A 601 -11.248 -14.774 7.333 1.00 43.54 C ATOM 308 O PHE A 601 -11.758 -14.062 6.451 1.00 24.23 O ATOM 309 CB PHE A 601 -9.801 -16.557 6.396 1.00 53.22 C ATOM 310 CG PHE A 601 -9.445 -18.009 6.262 1.00 22.41 C ATOM 311 CD1 PHE A 601 -9.033 -18.742 7.365 1.00 73.03 C ATOM 312 CD2 PHE A 601 -9.502 -18.635 5.033 1.00 53.42 C ATOM 313 CE1 PHE A 601 -8.687 -20.071 7.241 1.00 71.13 C ATOM 314 CE2 PHE A 601 -9.161 -19.962 4.901 1.00 52.54 C ATOM 315 CZ PHE A 601 -8.753 -20.685 6.006 1.00 1.21 C ATOM 0 H PHE A 601 -12.513 -16.325 5.597 1.00 22.33 H new ATOM 0 HA PHE A 601 -11.060 -16.755 8.115 1.00 10.23 H new ATOM 0 HB2 PHE A 601 -9.869 -16.124 5.398 1.00 53.22 H new ATOM 0 HB3 PHE A 601 -8.986 -16.047 6.910 1.00 53.22 H new ATOM 0 HD1 PHE A 601 -8.983 -18.266 8.333 1.00 73.03 H new ATOM 0 HD2 PHE A 601 -9.818 -18.077 4.164 1.00 53.42 H new ATOM 0 HE1 PHE A 601 -8.365 -20.630 8.107 1.00 71.13 H new ATOM 0 HE2 PHE A 601 -9.212 -20.439 3.933 1.00 52.54 H new ATOM 0 HZ PHE A 601 -8.487 -21.727 5.904 1.00 1.21 H new ATOM 325 N SER A 602 -10.829 -14.308 8.471 1.00 33.45 N ATOM 326 CA SER A 602 -10.842 -12.912 8.768 1.00 73.24 C ATOM 327 C SER A 602 -9.433 -12.375 8.667 1.00 2.23 C ATOM 328 O SER A 602 -8.507 -12.951 9.224 1.00 64.02 O ATOM 329 CB SER A 602 -11.424 -12.698 10.167 1.00 3.33 C ATOM 330 OG SER A 602 -10.747 -13.504 11.133 1.00 45.22 O ATOM 0 H SER A 602 -10.466 -14.893 9.224 1.00 33.45 H new ATOM 0 HA SER A 602 -11.467 -12.374 8.056 1.00 73.24 H new ATOM 0 HB2 SER A 602 -11.340 -11.647 10.443 1.00 3.33 H new ATOM 0 HB3 SER A 602 -12.486 -12.943 10.164 1.00 3.33 H new ATOM 0 HG SER A 602 -9.802 -13.586 10.886 1.00 45.22 H new ATOM 336 N PHE A 603 -9.265 -11.295 7.971 1.00 73.02 N ATOM 337 CA PHE A 603 -7.963 -10.736 7.788 1.00 71.13 C ATOM 338 C PHE A 603 -7.847 -9.343 8.374 1.00 32.12 C ATOM 339 O PHE A 603 -8.601 -8.426 8.017 1.00 45.03 O ATOM 340 CB PHE A 603 -7.540 -10.775 6.305 1.00 11.32 C ATOM 341 CG PHE A 603 -7.224 -12.169 5.783 1.00 60.25 C ATOM 342 CD1 PHE A 603 -8.205 -12.999 5.235 1.00 51.45 C ATOM 343 CD2 PHE A 603 -5.927 -12.641 5.846 1.00 64.14 C ATOM 344 CE1 PHE A 603 -7.870 -14.261 4.771 1.00 74.11 C ATOM 345 CE2 PHE A 603 -5.600 -13.897 5.382 1.00 35.01 C ATOM 346 CZ PHE A 603 -6.570 -14.706 4.845 1.00 42.01 C ATOM 0 H PHE A 603 -10.019 -10.780 7.517 1.00 73.02 H new ATOM 0 HA PHE A 603 -7.265 -11.362 8.344 1.00 71.13 H new ATOM 0 HB2 PHE A 603 -8.338 -10.345 5.700 1.00 11.32 H new ATOM 0 HB3 PHE A 603 -6.663 -10.142 6.172 1.00 11.32 H new ATOM 0 HD1 PHE A 603 -9.227 -12.656 5.173 1.00 51.45 H new ATOM 0 HD2 PHE A 603 -5.155 -12.014 6.267 1.00 64.14 H new ATOM 0 HE1 PHE A 603 -8.633 -14.898 4.349 1.00 74.11 H new ATOM 0 HE2 PHE A 603 -4.579 -14.245 5.441 1.00 35.01 H new ATOM 0 HZ PHE A 603 -6.313 -15.690 4.481 1.00 42.01 H new ATOM 356 N ASP A 604 -6.916 -9.208 9.289 1.00 32.03 N ATOM 357 CA ASP A 604 -6.586 -7.948 9.920 1.00 35.23 C ATOM 358 C ASP A 604 -5.238 -7.524 9.429 1.00 21.40 C ATOM 359 O ASP A 604 -4.237 -8.210 9.619 1.00 61.40 O ATOM 360 CB ASP A 604 -6.604 -8.065 11.475 1.00 13.51 C ATOM 361 CG ASP A 604 -5.621 -9.064 12.049 1.00 71.13 C ATOM 362 OD1 ASP A 604 -5.892 -10.282 11.985 1.00 64.02 O ATOM 363 OD2 ASP A 604 -4.569 -8.655 12.577 1.00 32.21 O ATOM 0 H ASP A 604 -6.352 -9.989 9.625 1.00 32.03 H new ATOM 0 HA ASP A 604 -7.334 -7.200 9.657 1.00 35.23 H new ATOM 0 HB2 ASP A 604 -6.394 -7.084 11.901 1.00 13.51 H new ATOM 0 HB3 ASP A 604 -7.609 -8.342 11.793 1.00 13.51 H new ATOM 368 N LEU A 605 -5.202 -6.432 8.742 1.00 14.11 N ATOM 369 CA LEU A 605 -3.950 -5.937 8.231 1.00 72.13 C ATOM 370 C LEU A 605 -3.523 -4.739 9.032 1.00 64.03 C ATOM 371 O LEU A 605 -2.639 -3.983 8.668 1.00 2.11 O ATOM 372 CB LEU A 605 -4.021 -5.693 6.729 1.00 10.41 C ATOM 373 CG LEU A 605 -4.367 -6.951 5.897 1.00 33.13 C ATOM 374 CD1 LEU A 605 -4.304 -6.666 4.430 1.00 62.02 C ATOM 375 CD2 LEU A 605 -3.451 -8.119 6.236 1.00 22.14 C ATOM 0 H LEU A 605 -6.017 -5.861 8.517 1.00 14.11 H new ATOM 0 HA LEU A 605 -3.173 -6.692 8.352 1.00 72.13 H new ATOM 0 HB2 LEU A 605 -4.768 -4.924 6.532 1.00 10.41 H new ATOM 0 HB3 LEU A 605 -3.062 -5.300 6.391 1.00 10.41 H new ATOM 0 HG LEU A 605 -5.388 -7.229 6.157 1.00 33.13 H new ATOM 0 HD11 LEU A 605 -4.552 -7.569 3.873 1.00 62.02 H new ATOM 0 HD12 LEU A 605 -5.016 -5.879 4.181 1.00 62.02 H new ATOM 0 HD13 LEU A 605 -3.298 -6.341 4.165 1.00 62.02 H new ATOM 0 HD21 LEU A 605 -3.725 -8.984 5.632 1.00 22.14 H new ATOM 0 HD22 LEU A 605 -2.417 -7.843 6.027 1.00 22.14 H new ATOM 0 HD23 LEU A 605 -3.554 -8.367 7.292 1.00 22.14 H new ATOM 383 N THR A 606 -4.144 -4.652 10.154 1.00 21.03 N ATOM 384 CA THR A 606 -3.951 -3.675 11.162 1.00 61.52 C ATOM 385 C THR A 606 -2.446 -3.621 11.637 1.00 4.55 C ATOM 386 O THR A 606 -1.897 -2.534 11.795 1.00 4.20 O ATOM 387 CB THR A 606 -4.864 -4.067 12.323 1.00 20.41 C ATOM 388 OG1 THR A 606 -6.072 -4.617 11.762 1.00 34.15 O ATOM 389 CG2 THR A 606 -5.252 -2.857 13.107 1.00 55.04 C ATOM 0 H THR A 606 -4.866 -5.325 10.411 1.00 21.03 H new ATOM 0 HA THR A 606 -4.190 -2.682 10.782 1.00 61.52 H new ATOM 0 HB THR A 606 -4.346 -4.776 12.969 1.00 20.41 H new ATOM 0 HG1 THR A 606 -6.679 -4.880 12.485 1.00 34.15 H new ATOM 0 HG21 THR A 606 -5.902 -3.150 13.931 1.00 55.04 H new ATOM 0 HG22 THR A 606 -4.357 -2.378 13.504 1.00 55.04 H new ATOM 0 HG23 THR A 606 -5.780 -2.158 12.459 1.00 55.04 H new ATOM 395 N PRO A 607 -1.744 -4.803 11.875 1.00 53.23 N ATOM 396 CA PRO A 607 -0.311 -4.805 12.238 1.00 75.44 C ATOM 397 C PRO A 607 0.570 -4.220 11.123 1.00 61.15 C ATOM 398 O PRO A 607 1.707 -3.828 11.356 1.00 21.43 O ATOM 399 CB PRO A 607 0.023 -6.292 12.438 1.00 2.30 C ATOM 400 CG PRO A 607 -1.285 -6.950 12.678 1.00 52.01 C ATOM 401 CD PRO A 607 -2.279 -6.195 11.858 1.00 22.32 C ATOM 0 HA PRO A 607 -0.124 -4.192 13.119 1.00 75.44 H new ATOM 0 HB2 PRO A 607 0.518 -6.707 11.560 1.00 2.30 H new ATOM 0 HB3 PRO A 607 0.698 -6.435 13.282 1.00 2.30 H new ATOM 0 HG2 PRO A 607 -1.254 -8.000 12.385 1.00 52.01 H new ATOM 0 HG3 PRO A 607 -1.549 -6.921 13.735 1.00 52.01 H new ATOM 0 HD2 PRO A 607 -2.347 -6.588 10.844 1.00 22.32 H new ATOM 0 HD3 PRO A 607 -3.279 -6.248 12.288 1.00 22.32 H new ATOM 409 N LEU A 608 0.030 -4.182 9.921 1.00 53.22 N ATOM 410 CA LEU A 608 0.754 -3.710 8.749 1.00 1.21 C ATOM 411 C LEU A 608 0.834 -2.192 8.696 1.00 2.43 C ATOM 412 O LEU A 608 1.632 -1.639 7.949 1.00 71.40 O ATOM 413 CB LEU A 608 0.148 -4.263 7.444 1.00 55.52 C ATOM 414 CG LEU A 608 0.351 -5.758 7.132 1.00 42.34 C ATOM 415 CD1 LEU A 608 -0.320 -6.643 8.157 1.00 62.31 C ATOM 416 CD2 LEU A 608 -0.150 -6.076 5.736 1.00 60.43 C ATOM 0 H LEU A 608 -0.926 -4.478 9.725 1.00 53.22 H new ATOM 0 HA LEU A 608 1.770 -4.092 8.842 1.00 1.21 H new ATOM 0 HB2 LEU A 608 -0.924 -4.068 7.464 1.00 55.52 H new ATOM 0 HB3 LEU A 608 0.561 -3.689 6.614 1.00 55.52 H new ATOM 0 HG LEU A 608 1.420 -5.965 7.179 1.00 42.34 H new ATOM 0 HD11 LEU A 608 -0.153 -7.689 7.900 1.00 62.31 H new ATOM 0 HD12 LEU A 608 0.099 -6.440 9.143 1.00 62.31 H new ATOM 0 HD13 LEU A 608 -1.391 -6.439 8.169 1.00 62.31 H new ATOM 0 HD21 LEU A 608 -0.001 -7.136 5.528 1.00 60.43 H new ATOM 0 HD22 LEU A 608 -1.212 -5.839 5.668 1.00 60.43 H new ATOM 0 HD23 LEU A 608 0.402 -5.482 5.007 1.00 60.43 H new ATOM 424 N THR A 609 0.002 -1.540 9.470 1.00 4.23 N ATOM 425 CA THR A 609 -0.018 -0.096 9.569 1.00 44.14 C ATOM 426 C THR A 609 1.300 0.412 10.172 1.00 64.50 C ATOM 427 O THR A 609 1.775 -0.106 11.193 1.00 41.44 O ATOM 428 CB THR A 609 -1.205 0.338 10.452 1.00 61.01 C ATOM 429 OG1 THR A 609 -2.415 -0.246 9.938 1.00 52.52 O ATOM 430 CG2 THR A 609 -1.356 1.850 10.488 1.00 11.45 C ATOM 0 H THR A 609 -0.692 -2.001 10.059 1.00 4.23 H new ATOM 0 HA THR A 609 -0.131 0.332 8.573 1.00 44.14 H new ATOM 0 HB THR A 609 -1.014 -0.007 11.468 1.00 61.01 H new ATOM 0 HG1 THR A 609 -2.606 0.125 9.051 1.00 52.52 H new ATOM 0 HG21 THR A 609 -2.203 2.116 11.120 1.00 11.45 H new ATOM 0 HG22 THR A 609 -0.447 2.297 10.891 1.00 11.45 H new ATOM 0 HG23 THR A 609 -1.526 2.223 9.478 1.00 11.45 H new ATOM 436 N LYS A 610 1.883 1.402 9.537 1.00 22.14 N ATOM 437 CA LYS A 610 3.125 1.975 9.984 1.00 5.24 C ATOM 438 C LYS A 610 3.035 3.472 10.075 1.00 43.51 C ATOM 439 O LYS A 610 2.405 4.112 9.240 1.00 40.13 O ATOM 440 CB LYS A 610 4.271 1.628 9.051 1.00 55.05 C ATOM 441 CG LYS A 610 4.706 0.182 9.046 1.00 65.44 C ATOM 442 CD LYS A 610 5.943 -0.013 8.171 1.00 54.30 C ATOM 443 CE LYS A 610 7.107 0.851 8.639 1.00 34.55 C ATOM 444 NZ LYS A 610 8.331 0.612 7.858 1.00 71.54 N ATOM 0 H LYS A 610 1.505 1.832 8.693 1.00 22.14 H new ATOM 0 HA LYS A 610 3.317 1.553 10.971 1.00 5.24 H new ATOM 0 HB2 LYS A 610 3.984 1.904 8.036 1.00 55.05 H new ATOM 0 HB3 LYS A 610 5.130 2.244 9.318 1.00 55.05 H new ATOM 0 HG2 LYS A 610 4.922 -0.140 10.065 1.00 65.44 H new ATOM 0 HG3 LYS A 610 3.894 -0.445 8.679 1.00 65.44 H new ATOM 0 HD2 LYS A 610 6.239 -1.062 8.188 1.00 54.30 H new ATOM 0 HD3 LYS A 610 5.700 0.233 7.137 1.00 54.30 H new ATOM 0 HE2 LYS A 610 6.830 1.902 8.562 1.00 34.55 H new ATOM 0 HE3 LYS A 610 7.306 0.650 9.692 1.00 34.55 H new ATOM 0 HZ1 LYS A 610 9.094 1.222 8.213 1.00 71.54 H new ATOM 0 HZ2 LYS A 610 8.613 -0.385 7.951 1.00 71.54 H new ATOM 0 HZ3 LYS A 610 8.152 0.829 6.857 1.00 71.54 H new ATOM 458 N LYS A 611 3.690 4.023 11.073 1.00 54.33 N ATOM 459 CA LYS A 611 3.752 5.459 11.283 1.00 71.42 C ATOM 460 C LYS A 611 4.631 6.079 10.208 1.00 20.52 C ATOM 461 O LYS A 611 4.376 7.174 9.711 1.00 40.03 O ATOM 462 CB LYS A 611 4.348 5.740 12.645 1.00 74.22 C ATOM 463 CG LYS A 611 4.244 7.192 13.096 1.00 21.12 C ATOM 464 CD LYS A 611 2.795 7.649 13.198 1.00 11.24 C ATOM 465 CE LYS A 611 2.702 9.088 13.666 1.00 51.41 C ATOM 466 NZ LYS A 611 1.300 9.533 13.795 1.00 11.33 N ATOM 0 H LYS A 611 4.201 3.483 11.771 1.00 54.33 H new ATOM 0 HA LYS A 611 2.750 5.885 11.230 1.00 71.42 H new ATOM 0 HB2 LYS A 611 3.852 5.108 13.382 1.00 74.22 H new ATOM 0 HB3 LYS A 611 5.399 5.451 12.634 1.00 74.22 H new ATOM 0 HG2 LYS A 611 4.731 7.308 14.064 1.00 21.12 H new ATOM 0 HG3 LYS A 611 4.778 7.831 12.392 1.00 21.12 H new ATOM 0 HD2 LYS A 611 2.311 7.548 12.227 1.00 11.24 H new ATOM 0 HD3 LYS A 611 2.256 7.003 13.891 1.00 11.24 H new ATOM 0 HE2 LYS A 611 3.206 9.191 14.627 1.00 51.41 H new ATOM 0 HE3 LYS A 611 3.225 9.734 12.961 1.00 51.41 H new ATOM 0 HZ1 LYS A 611 1.278 10.522 14.117 1.00 11.33 H new ATOM 0 HZ2 LYS A 611 0.826 9.459 12.872 1.00 11.33 H new ATOM 0 HZ3 LYS A 611 0.807 8.933 14.487 1.00 11.33 H new ATOM 480 N ASP A 612 5.679 5.355 9.881 1.00 33.52 N ATOM 481 CA ASP A 612 6.614 5.748 8.811 1.00 70.03 C ATOM 482 C ASP A 612 5.965 5.527 7.458 1.00 71.20 C ATOM 483 O ASP A 612 6.317 6.177 6.449 1.00 61.20 O ATOM 484 CB ASP A 612 7.911 4.936 8.907 1.00 24.12 C ATOM 485 CG ASP A 612 8.882 5.223 7.774 1.00 64.44 C ATOM 486 OD1 ASP A 612 9.562 6.268 7.807 1.00 73.43 O ATOM 487 OD2 ASP A 612 8.971 4.417 6.831 1.00 51.13 O ATOM 0 H ASP A 612 5.920 4.476 10.339 1.00 33.52 H new ATOM 0 HA ASP A 612 6.856 6.804 8.927 1.00 70.03 H new ATOM 0 HB2 ASP A 612 8.398 5.152 9.858 1.00 24.12 H new ATOM 0 HB3 ASP A 612 7.668 3.874 8.908 1.00 24.12 H new ATOM 492 N ALA A 613 4.990 4.620 7.463 1.00 61.14 N ATOM 493 CA ALA A 613 4.220 4.238 6.302 1.00 62.01 C ATOM 494 C ALA A 613 5.095 3.526 5.272 1.00 74.24 C ATOM 495 O ALA A 613 6.238 3.173 5.550 1.00 43.11 O ATOM 496 CB ALA A 613 3.507 5.445 5.714 1.00 12.35 C ATOM 0 H ALA A 613 4.713 4.120 8.308 1.00 61.14 H new ATOM 0 HA ALA A 613 3.455 3.526 6.611 1.00 62.01 H new ATOM 0 HB1 ALA A 613 2.932 5.138 4.840 1.00 12.35 H new ATOM 0 HB2 ALA A 613 2.835 5.870 6.460 1.00 12.35 H new ATOM 0 HB3 ALA A 613 4.242 6.194 5.420 1.00 12.35 H new ATOM 502 N TYR A 614 4.544 3.275 4.120 1.00 42.03 N ATOM 503 CA TYR A 614 5.250 2.588 3.066 1.00 33.33 C ATOM 504 C TYR A 614 5.435 3.510 1.903 1.00 31.43 C ATOM 505 O TYR A 614 4.553 4.316 1.600 1.00 70.23 O ATOM 506 CB TYR A 614 4.466 1.346 2.626 1.00 32.41 C ATOM 507 CG TYR A 614 4.333 0.287 3.697 1.00 23.04 C ATOM 508 CD1 TYR A 614 3.569 0.507 4.831 1.00 53.31 C ATOM 509 CD2 TYR A 614 4.981 -0.931 3.576 1.00 31.13 C ATOM 510 CE1 TYR A 614 3.455 -0.432 5.797 1.00 41.45 C ATOM 511 CE2 TYR A 614 4.871 -1.895 4.553 1.00 3.22 C ATOM 512 CZ TYR A 614 4.101 -1.631 5.665 1.00 11.31 C ATOM 513 OH TYR A 614 3.980 -2.558 6.647 1.00 11.12 O ATOM 0 H TYR A 614 3.589 3.540 3.880 1.00 42.03 H new ATOM 0 HA TYR A 614 6.225 2.274 3.437 1.00 33.33 H new ATOM 0 HB2 TYR A 614 3.470 1.653 2.308 1.00 32.41 H new ATOM 0 HB3 TYR A 614 4.957 0.909 1.757 1.00 32.41 H new ATOM 0 HD1 TYR A 614 3.053 1.449 4.946 1.00 53.31 H new ATOM 0 HD2 TYR A 614 5.583 -1.128 2.701 1.00 31.13 H new ATOM 0 HE1 TYR A 614 2.854 -0.236 6.673 1.00 41.45 H new ATOM 0 HE2 TYR A 614 5.380 -2.842 4.450 1.00 3.22 H new ATOM 0 HH TYR A 614 3.180 -2.367 7.180 1.00 11.12 H new ATOM 523 N LYS A 615 6.558 3.418 1.269 1.00 70.13 N ATOM 524 CA LYS A 615 6.844 4.236 0.135 1.00 33.24 C ATOM 525 C LYS A 615 7.288 3.382 -1.028 1.00 71.12 C ATOM 526 O LYS A 615 8.031 2.415 -0.858 1.00 33.34 O ATOM 527 CB LYS A 615 7.953 5.247 0.430 1.00 33.34 C ATOM 528 CG LYS A 615 8.258 6.150 -0.757 1.00 14.32 C ATOM 529 CD LYS A 615 9.636 6.799 -0.638 1.00 31.34 C ATOM 530 CE LYS A 615 9.811 7.647 0.595 1.00 72.21 C ATOM 531 NZ LYS A 615 11.178 8.198 0.680 1.00 72.04 N ATOM 0 H LYS A 615 7.305 2.772 1.523 1.00 70.13 H new ATOM 0 HA LYS A 615 5.926 4.771 -0.108 1.00 33.24 H new ATOM 0 HB2 LYS A 615 7.662 5.861 1.282 1.00 33.34 H new ATOM 0 HB3 LYS A 615 8.859 4.713 0.717 1.00 33.34 H new ATOM 0 HG2 LYS A 615 8.208 5.569 -1.678 1.00 14.32 H new ATOM 0 HG3 LYS A 615 7.496 6.926 -0.828 1.00 14.32 H new ATOM 0 HD2 LYS A 615 10.396 6.017 -0.639 1.00 31.34 H new ATOM 0 HD3 LYS A 615 9.813 7.416 -1.519 1.00 31.34 H new ATOM 0 HE2 LYS A 615 9.088 8.463 0.583 1.00 72.21 H new ATOM 0 HE3 LYS A 615 9.602 7.049 1.482 1.00 72.21 H new ATOM 0 HZ1 LYS A 615 11.266 8.777 1.540 1.00 72.04 H new ATOM 0 HZ2 LYS A 615 11.865 7.418 0.716 1.00 72.04 H new ATOM 0 HZ3 LYS A 615 11.367 8.788 -0.155 1.00 72.04 H new ATOM 545 N VAL A 616 6.812 3.731 -2.178 1.00 73.12 N ATOM 546 CA VAL A 616 7.250 3.164 -3.415 1.00 1.11 C ATOM 547 C VAL A 616 7.783 4.323 -4.235 1.00 12.32 C ATOM 548 O VAL A 616 7.188 5.393 -4.236 1.00 34.14 O ATOM 549 CB VAL A 616 6.082 2.505 -4.182 1.00 54.13 C ATOM 550 CG1 VAL A 616 6.576 1.853 -5.467 1.00 42.45 C ATOM 551 CG2 VAL A 616 5.345 1.496 -3.313 1.00 52.04 C ATOM 0 H VAL A 616 6.086 4.439 -2.288 1.00 73.12 H new ATOM 0 HA VAL A 616 7.998 2.392 -3.234 1.00 1.11 H new ATOM 0 HB VAL A 616 5.376 3.292 -4.447 1.00 54.13 H new ATOM 0 HG11 VAL A 616 5.736 1.396 -5.989 1.00 42.45 H new ATOM 0 HG12 VAL A 616 7.033 2.609 -6.106 1.00 42.45 H new ATOM 0 HG13 VAL A 616 7.313 1.087 -5.226 1.00 42.45 H new ATOM 0 HG21 VAL A 616 4.530 1.051 -3.884 1.00 52.04 H new ATOM 0 HG22 VAL A 616 6.036 0.714 -2.998 1.00 52.04 H new ATOM 0 HG23 VAL A 616 4.941 1.999 -2.434 1.00 52.04 H new ATOM 557 N GLU A 617 8.864 4.138 -4.905 1.00 44.00 N ATOM 558 CA GLU A 617 9.474 5.215 -5.649 1.00 71.40 C ATOM 559 C GLU A 617 9.429 4.948 -7.119 1.00 70.40 C ATOM 560 O GLU A 617 9.540 3.809 -7.552 1.00 10.31 O ATOM 561 CB GLU A 617 10.911 5.428 -5.205 1.00 23.04 C ATOM 562 CG GLU A 617 11.044 5.873 -3.769 1.00 71.24 C ATOM 563 CD GLU A 617 12.471 5.999 -3.338 1.00 3.25 C ATOM 564 OE1 GLU A 617 13.138 6.955 -3.755 1.00 61.04 O ATOM 565 OE2 GLU A 617 12.934 5.150 -2.554 1.00 32.14 O ATOM 0 H GLU A 617 9.358 3.248 -4.962 1.00 44.00 H new ATOM 0 HA GLU A 617 8.904 6.121 -5.446 1.00 71.40 H new ATOM 0 HB2 GLU A 617 11.465 4.499 -5.341 1.00 23.04 H new ATOM 0 HB3 GLU A 617 11.375 6.173 -5.851 1.00 23.04 H new ATOM 0 HG2 GLU A 617 10.543 6.833 -3.642 1.00 71.24 H new ATOM 0 HG3 GLU A 617 10.534 5.159 -3.122 1.00 71.24 H new ATOM 572 N THR A 618 9.272 5.991 -7.883 1.00 75.34 N ATOM 573 CA THR A 618 9.214 5.894 -9.303 1.00 11.41 C ATOM 574 C THR A 618 10.245 6.866 -9.854 1.00 45.12 C ATOM 575 O THR A 618 11.151 7.277 -9.111 1.00 2.15 O ATOM 576 CB THR A 618 7.788 6.246 -9.819 1.00 52.33 C ATOM 577 OG1 THR A 618 7.448 7.571 -9.417 1.00 72.20 O ATOM 578 CG2 THR A 618 6.751 5.287 -9.248 1.00 62.12 C ATOM 0 H THR A 618 9.180 6.942 -7.527 1.00 75.34 H new ATOM 0 HA THR A 618 9.429 4.878 -9.633 1.00 11.41 H new ATOM 0 HB THR A 618 7.791 6.165 -10.906 1.00 52.33 H new ATOM 0 HG1 THR A 618 7.922 7.793 -8.589 1.00 72.20 H new ATOM 0 HG21 THR A 618 5.763 5.554 -9.623 1.00 62.12 H new ATOM 0 HG22 THR A 618 6.992 4.268 -9.552 1.00 62.12 H new ATOM 0 HG23 THR A 618 6.755 5.352 -8.160 1.00 62.12 H new ATOM 584 N ASP A 619 10.125 7.231 -11.111 1.00 23.42 N ATOM 585 CA ASP A 619 11.070 8.140 -11.750 1.00 51.20 C ATOM 586 C ASP A 619 11.125 9.479 -11.006 1.00 51.14 C ATOM 587 O ASP A 619 12.168 9.864 -10.483 1.00 44.53 O ATOM 588 CB ASP A 619 10.681 8.381 -13.214 1.00 52.22 C ATOM 589 CG ASP A 619 10.536 7.115 -14.004 1.00 41.53 C ATOM 590 OD1 ASP A 619 9.434 6.547 -14.005 1.00 50.15 O ATOM 591 OD2 ASP A 619 11.510 6.663 -14.627 1.00 60.42 O ATOM 0 H ASP A 619 9.375 6.911 -11.723 1.00 23.42 H new ATOM 0 HA ASP A 619 12.056 7.676 -11.715 1.00 51.20 H new ATOM 0 HB2 ASP A 619 9.741 8.932 -13.247 1.00 52.22 H new ATOM 0 HB3 ASP A 619 11.436 9.011 -13.685 1.00 52.22 H new ATOM 596 N LYS A 620 9.993 10.171 -10.931 1.00 60.31 N ATOM 597 CA LYS A 620 9.968 11.489 -10.290 1.00 4.22 C ATOM 598 C LYS A 620 9.005 11.537 -9.123 1.00 2.23 C ATOM 599 O LYS A 620 8.817 12.585 -8.524 1.00 73.15 O ATOM 600 CB LYS A 620 9.579 12.647 -11.260 1.00 1.11 C ATOM 601 CG LYS A 620 10.456 12.900 -12.500 1.00 10.32 C ATOM 602 CD LYS A 620 10.338 11.803 -13.555 1.00 31.12 C ATOM 603 CE LYS A 620 8.898 11.622 -14.048 1.00 14.53 C ATOM 604 NZ LYS A 620 8.337 12.856 -14.637 1.00 45.32 N ATOM 0 H LYS A 620 9.095 9.853 -11.297 1.00 60.31 H new ATOM 0 HA LYS A 620 10.993 11.637 -9.950 1.00 4.22 H new ATOM 0 HB2 LYS A 620 8.563 12.460 -11.607 1.00 1.11 H new ATOM 0 HB3 LYS A 620 9.553 13.569 -10.680 1.00 1.11 H new ATOM 0 HG2 LYS A 620 10.177 13.855 -12.945 1.00 10.32 H new ATOM 0 HG3 LYS A 620 11.497 12.985 -12.189 1.00 10.32 H new ATOM 0 HD2 LYS A 620 10.981 12.045 -14.401 1.00 31.12 H new ATOM 0 HD3 LYS A 620 10.698 10.862 -13.139 1.00 31.12 H new ATOM 0 HE2 LYS A 620 8.870 10.825 -14.791 1.00 14.53 H new ATOM 0 HE3 LYS A 620 8.271 11.304 -13.215 1.00 14.53 H new ATOM 0 HZ1 LYS A 620 7.395 12.656 -15.030 1.00 45.32 H new ATOM 0 HZ2 LYS A 620 8.257 13.587 -13.901 1.00 45.32 H new ATOM 0 HZ3 LYS A 620 8.963 13.195 -15.395 1.00 45.32 H new ATOM 618 N TYR A 621 8.390 10.450 -8.799 1.00 3.02 N ATOM 619 CA TYR A 621 7.397 10.472 -7.739 1.00 11.12 C ATOM 620 C TYR A 621 7.650 9.381 -6.753 1.00 4.13 C ATOM 621 O TYR A 621 8.388 8.431 -7.030 1.00 30.43 O ATOM 622 CB TYR A 621 5.966 10.300 -8.313 1.00 63.31 C ATOM 623 CG TYR A 621 5.494 11.403 -9.241 1.00 24.04 C ATOM 624 CD1 TYR A 621 6.134 11.640 -10.440 1.00 52.12 C ATOM 625 CD2 TYR A 621 4.410 12.199 -8.915 1.00 52.00 C ATOM 626 CE1 TYR A 621 5.733 12.623 -11.288 1.00 63.01 C ATOM 627 CE2 TYR A 621 3.984 13.195 -9.770 1.00 44.43 C ATOM 628 CZ TYR A 621 4.655 13.402 -10.954 1.00 62.23 C ATOM 629 OH TYR A 621 4.230 14.377 -11.819 1.00 55.20 O ATOM 0 H TYR A 621 8.542 9.541 -9.235 1.00 3.02 H new ATOM 0 HA TYR A 621 7.475 11.440 -7.243 1.00 11.12 H new ATOM 0 HB2 TYR A 621 5.921 9.353 -8.851 1.00 63.31 H new ATOM 0 HB3 TYR A 621 5.267 10.226 -7.480 1.00 63.31 H new ATOM 0 HD1 TYR A 621 6.979 11.026 -10.713 1.00 52.12 H new ATOM 0 HD2 TYR A 621 3.892 12.039 -7.981 1.00 52.00 H new ATOM 0 HE1 TYR A 621 6.259 12.789 -12.217 1.00 63.01 H new ATOM 0 HE2 TYR A 621 3.132 13.807 -9.513 1.00 44.43 H new ATOM 0 HH TYR A 621 3.455 14.839 -11.436 1.00 55.20 H new ATOM 639 N GLU A 622 7.073 9.520 -5.622 1.00 54.13 N ATOM 640 CA GLU A 622 7.051 8.486 -4.659 1.00 51.43 C ATOM 641 C GLU A 622 5.618 8.342 -4.267 1.00 73.43 C ATOM 642 O GLU A 622 4.856 9.332 -4.299 1.00 1.30 O ATOM 643 CB GLU A 622 7.889 8.798 -3.400 1.00 64.24 C ATOM 644 CG GLU A 622 7.344 9.936 -2.552 1.00 72.13 C ATOM 645 CD GLU A 622 8.071 10.116 -1.236 1.00 44.25 C ATOM 646 OE1 GLU A 622 9.143 10.764 -1.221 1.00 22.35 O ATOM 647 OE2 GLU A 622 7.576 9.605 -0.184 1.00 31.55 O ATOM 0 H GLU A 622 6.593 10.372 -5.332 1.00 54.13 H new ATOM 0 HA GLU A 622 7.485 7.582 -5.087 1.00 51.43 H new ATOM 0 HB2 GLU A 622 7.949 7.899 -2.786 1.00 64.24 H new ATOM 0 HB3 GLU A 622 8.906 9.043 -3.706 1.00 64.24 H new ATOM 0 HG2 GLU A 622 7.406 10.864 -3.121 1.00 72.13 H new ATOM 0 HG3 GLU A 622 6.288 9.755 -2.352 1.00 72.13 H new ATOM 654 N PHE A 623 5.222 7.179 -3.955 1.00 60.13 N ATOM 655 CA PHE A 623 3.913 6.996 -3.478 1.00 24.34 C ATOM 656 C PHE A 623 4.052 6.545 -2.062 1.00 75.33 C ATOM 657 O PHE A 623 4.719 5.546 -1.790 1.00 11.43 O ATOM 658 CB PHE A 623 3.160 5.931 -4.300 1.00 71.53 C ATOM 659 CG PHE A 623 3.164 6.160 -5.801 1.00 54.04 C ATOM 660 CD1 PHE A 623 2.820 7.385 -6.337 1.00 43.41 C ATOM 661 CD2 PHE A 623 3.535 5.147 -6.671 1.00 22.20 C ATOM 662 CE1 PHE A 623 2.841 7.588 -7.705 1.00 54.14 C ATOM 663 CE2 PHE A 623 3.558 5.351 -8.022 1.00 21.13 C ATOM 664 CZ PHE A 623 3.214 6.562 -8.544 1.00 54.24 C ATOM 0 H PHE A 623 5.786 6.332 -4.020 1.00 60.13 H new ATOM 0 HA PHE A 623 3.339 7.919 -3.559 1.00 24.34 H new ATOM 0 HB2 PHE A 623 3.602 4.956 -4.095 1.00 71.53 H new ATOM 0 HB3 PHE A 623 2.126 5.892 -3.956 1.00 71.53 H new ATOM 0 HD1 PHE A 623 2.531 8.193 -5.681 1.00 43.41 H new ATOM 0 HD2 PHE A 623 3.810 4.181 -6.275 1.00 22.20 H new ATOM 0 HE1 PHE A 623 2.566 8.549 -8.114 1.00 54.14 H new ATOM 0 HE2 PHE A 623 3.851 4.547 -8.681 1.00 21.13 H new ATOM 0 HZ PHE A 623 3.234 6.716 -9.613 1.00 54.24 H new ATOM 674 N HIS A 624 3.477 7.266 -1.166 1.00 42.20 N ATOM 675 CA HIS A 624 3.541 6.907 0.199 1.00 30.33 C ATOM 676 C HIS A 624 2.151 6.520 0.635 1.00 43.32 C ATOM 677 O HIS A 624 1.213 7.300 0.508 1.00 64.34 O ATOM 678 CB HIS A 624 4.061 8.087 1.016 1.00 33.03 C ATOM 679 CG HIS A 624 5.151 7.711 1.956 1.00 72.12 C ATOM 680 ND1 HIS A 624 6.459 8.095 1.778 1.00 44.14 N ATOM 681 CD2 HIS A 624 5.132 6.975 3.081 1.00 32.14 C ATOM 682 CE1 HIS A 624 7.189 7.599 2.753 1.00 5.23 C ATOM 683 NE2 HIS A 624 6.407 6.921 3.557 1.00 1.44 N ATOM 0 H HIS A 624 2.951 8.118 -1.361 1.00 42.20 H new ATOM 0 HA HIS A 624 4.222 6.070 0.353 1.00 30.33 H new ATOM 0 HB2 HIS A 624 4.425 8.859 0.338 1.00 33.03 H new ATOM 0 HB3 HIS A 624 3.236 8.522 1.581 1.00 33.03 H new ATOM 0 HD1 HIS A 624 6.807 8.672 1.012 1.00 44.14 H new ATOM 0 HD2 HIS A 624 4.264 6.511 3.526 1.00 32.14 H new ATOM 0 HE1 HIS A 624 8.255 7.729 2.871 1.00 5.23 H new ATOM 0 HE2 HIS A 624 6.705 6.433 4.402 1.00 1.44 H new ATOM 692 N ILE A 625 2.018 5.339 1.153 1.00 21.34 N ATOM 693 CA ILE A 625 0.725 4.811 1.517 1.00 65.10 C ATOM 694 C ILE A 625 0.844 4.107 2.849 1.00 15.52 C ATOM 695 O ILE A 625 1.941 3.701 3.251 1.00 50.43 O ATOM 696 CB ILE A 625 0.185 3.788 0.445 1.00 32.21 C ATOM 697 CG1 ILE A 625 1.073 2.545 0.412 1.00 61.21 C ATOM 698 CG2 ILE A 625 0.098 4.428 -0.943 1.00 14.21 C ATOM 699 CD1 ILE A 625 0.728 1.532 -0.667 1.00 1.31 C ATOM 0 H ILE A 625 2.798 4.708 1.338 1.00 21.34 H new ATOM 0 HA ILE A 625 0.023 5.643 1.573 1.00 65.10 H new ATOM 0 HB ILE A 625 -0.824 3.493 0.734 1.00 32.21 H new ATOM 0 HG12 ILE A 625 2.107 2.860 0.274 1.00 61.21 H new ATOM 0 HG13 ILE A 625 1.017 2.052 1.382 1.00 61.21 H new ATOM 0 HG21 ILE A 625 -0.278 3.696 -1.658 1.00 14.21 H new ATOM 0 HG22 ILE A 625 -0.579 5.282 -0.908 1.00 14.21 H new ATOM 0 HG23 ILE A 625 1.088 4.762 -1.252 1.00 14.21 H new ATOM 0 HD11 ILE A 625 1.415 0.688 -0.607 1.00 1.31 H new ATOM 0 HD12 ILE A 625 -0.293 1.180 -0.522 1.00 1.31 H new ATOM 0 HD13 ILE A 625 0.814 2.001 -1.647 1.00 1.31 H new ATOM 706 N ASN A 626 -0.234 4.003 3.534 1.00 24.32 N ATOM 707 CA ASN A 626 -0.268 3.301 4.801 1.00 15.42 C ATOM 708 C ASN A 626 -1.483 2.392 4.815 1.00 62.12 C ATOM 709 O ASN A 626 -2.434 2.630 4.064 1.00 14.51 O ATOM 710 CB ASN A 626 -0.323 4.308 5.957 1.00 60.34 C ATOM 711 CG ASN A 626 -0.235 3.663 7.320 1.00 23.14 C ATOM 712 OD1 ASN A 626 0.366 2.591 7.487 1.00 2.45 O ATOM 713 ND2 ASN A 626 -0.801 4.308 8.298 1.00 33.43 N ATOM 0 H ASN A 626 -1.130 4.397 3.247 1.00 24.32 H new ATOM 0 HA ASN A 626 0.633 2.700 4.925 1.00 15.42 H new ATOM 0 HB2 ASN A 626 0.494 5.021 5.847 1.00 60.34 H new ATOM 0 HB3 ASN A 626 -1.251 4.875 5.891 1.00 60.34 H new ATOM 0 HD21 ASN A 626 -0.760 3.935 9.246 1.00 33.43 H new ATOM 0 HD22 ASN A 626 -1.285 5.187 8.116 1.00 33.43 H new ATOM 719 N VAL A 627 -1.457 1.348 5.627 1.00 71.23 N ATOM 720 CA VAL A 627 -2.582 0.437 5.705 1.00 54.02 C ATOM 721 C VAL A 627 -3.617 0.988 6.634 1.00 41.45 C ATOM 722 O VAL A 627 -3.390 1.065 7.829 1.00 41.11 O ATOM 723 CB VAL A 627 -2.200 -0.982 6.181 1.00 21.34 C ATOM 724 CG1 VAL A 627 -3.435 -1.887 6.193 1.00 61.11 C ATOM 725 CG2 VAL A 627 -1.142 -1.566 5.289 1.00 14.14 C ATOM 0 H VAL A 627 -0.674 1.113 6.237 1.00 71.23 H new ATOM 0 HA VAL A 627 -2.967 0.346 4.689 1.00 54.02 H new ATOM 0 HB VAL A 627 -1.804 -0.913 7.194 1.00 21.34 H new ATOM 0 HG11 VAL A 627 -3.152 -2.884 6.530 1.00 61.11 H new ATOM 0 HG12 VAL A 627 -4.183 -1.473 6.870 1.00 61.11 H new ATOM 0 HG13 VAL A 627 -3.851 -1.949 5.187 1.00 61.11 H new ATOM 0 HG21 VAL A 627 -0.884 -2.566 5.637 1.00 14.14 H new ATOM 0 HG22 VAL A 627 -1.518 -1.624 4.268 1.00 14.14 H new ATOM 0 HG23 VAL A 627 -0.255 -0.933 5.314 1.00 14.14 H new ATOM 731 N CYS A 628 -4.708 1.391 6.039 1.00 22.10 N ATOM 732 CA CYS A 628 -5.903 1.935 6.664 1.00 54.11 C ATOM 733 C CYS A 628 -5.666 3.233 7.429 1.00 52.11 C ATOM 734 O CYS A 628 -4.603 3.481 8.012 1.00 65.33 O ATOM 735 CB CYS A 628 -6.700 0.891 7.507 1.00 14.44 C ATOM 736 SG CYS A 628 -5.885 0.217 9.000 1.00 74.23 S ATOM 0 H CYS A 628 -4.800 1.347 5.024 1.00 22.10 H new ATOM 0 HA CYS A 628 -6.544 2.199 5.823 1.00 54.11 H new ATOM 0 HB2 CYS A 628 -7.639 1.352 7.815 1.00 14.44 H new ATOM 0 HB3 CYS A 628 -6.954 0.055 6.855 1.00 14.44 H new ATOM 741 N GLY A 629 -6.666 4.053 7.414 1.00 61.42 N ATOM 742 CA GLY A 629 -6.605 5.295 8.094 1.00 10.50 C ATOM 743 C GLY A 629 -5.852 6.281 7.279 1.00 61.42 C ATOM 744 O GLY A 629 -5.888 6.230 6.046 1.00 4.10 O ATOM 0 H GLY A 629 -7.546 3.876 6.929 1.00 61.42 H new ATOM 0 HA2 GLY A 629 -7.612 5.664 8.287 1.00 10.50 H new ATOM 0 HA3 GLY A 629 -6.122 5.166 9.062 1.00 10.50 H new ATOM 748 N PRO A 630 -5.213 7.209 7.918 1.00 11.40 N ATOM 749 CA PRO A 630 -4.387 8.186 7.272 1.00 43.22 C ATOM 750 C PRO A 630 -2.920 7.753 7.201 1.00 13.21 C ATOM 751 O PRO A 630 -2.501 6.768 7.843 1.00 51.11 O ATOM 752 CB PRO A 630 -4.532 9.399 8.191 1.00 71.41 C ATOM 753 CG PRO A 630 -5.299 8.906 9.398 1.00 24.45 C ATOM 754 CD PRO A 630 -5.277 7.439 9.342 1.00 0.02 C ATOM 0 HA PRO A 630 -4.682 8.362 6.238 1.00 43.22 H new ATOM 0 HB2 PRO A 630 -3.557 9.791 8.480 1.00 71.41 H new ATOM 0 HB3 PRO A 630 -5.065 10.208 7.691 1.00 71.41 H new ATOM 0 HG2 PRO A 630 -4.842 9.265 10.320 1.00 24.45 H new ATOM 0 HG3 PRO A 630 -6.323 9.278 9.384 1.00 24.45 H new ATOM 0 HD2 PRO A 630 -4.417 7.021 9.865 1.00 0.02 H new ATOM 0 HD3 PRO A 630 -6.167 6.998 9.790 1.00 0.02 H new ATOM 762 N VAL A 631 -2.163 8.469 6.420 1.00 5.32 N ATOM 763 CA VAL A 631 -0.764 8.243 6.295 1.00 13.54 C ATOM 764 C VAL A 631 -0.034 9.399 6.965 1.00 4.33 C ATOM 765 O VAL A 631 -0.399 10.570 6.791 1.00 2.34 O ATOM 766 CB VAL A 631 -0.331 8.110 4.799 1.00 41.32 C ATOM 767 CG1 VAL A 631 -0.564 9.372 3.988 1.00 45.12 C ATOM 768 CG2 VAL A 631 1.088 7.629 4.672 1.00 53.41 C ATOM 0 H VAL A 631 -2.512 9.236 5.846 1.00 5.32 H new ATOM 0 HA VAL A 631 -0.507 7.301 6.780 1.00 13.54 H new ATOM 0 HB VAL A 631 -0.984 7.351 4.368 1.00 41.32 H new ATOM 0 HG11 VAL A 631 -0.241 9.209 2.960 1.00 45.12 H new ATOM 0 HG12 VAL A 631 -1.625 9.621 4.000 1.00 45.12 H new ATOM 0 HG13 VAL A 631 0.007 10.193 4.421 1.00 45.12 H new ATOM 0 HG21 VAL A 631 1.352 7.549 3.618 1.00 53.41 H new ATOM 0 HG22 VAL A 631 1.757 8.337 5.161 1.00 53.41 H new ATOM 0 HG23 VAL A 631 1.185 6.652 5.145 1.00 53.41 H new ATOM 774 N SER A 632 0.939 9.092 7.750 1.00 45.52 N ATOM 775 CA SER A 632 1.668 10.107 8.413 1.00 43.11 C ATOM 776 C SER A 632 2.957 10.422 7.684 1.00 4.20 C ATOM 777 O SER A 632 4.021 9.875 7.987 1.00 33.34 O ATOM 778 CB SER A 632 1.889 9.753 9.890 1.00 34.33 C ATOM 779 OG SER A 632 2.663 10.733 10.583 1.00 73.43 O ATOM 0 H SER A 632 1.247 8.140 7.947 1.00 45.52 H new ATOM 0 HA SER A 632 1.075 11.021 8.398 1.00 43.11 H new ATOM 0 HB2 SER A 632 0.922 9.645 10.382 1.00 34.33 H new ATOM 0 HB3 SER A 632 2.390 8.787 9.957 1.00 34.33 H new ATOM 0 HG SER A 632 2.205 10.986 11.412 1.00 73.43 H new ATOM 785 N VAL A 633 2.841 11.223 6.655 1.00 74.41 N ATOM 786 CA VAL A 633 4.000 11.702 5.940 1.00 42.53 C ATOM 787 C VAL A 633 4.009 13.198 6.030 1.00 13.30 C ATOM 788 O VAL A 633 2.998 13.838 5.730 1.00 24.01 O ATOM 789 CB VAL A 633 3.981 11.314 4.446 1.00 75.51 C ATOM 790 CG1 VAL A 633 5.291 11.657 3.771 1.00 14.01 C ATOM 791 CG2 VAL A 633 3.666 9.873 4.275 1.00 25.51 C ATOM 0 H VAL A 633 1.950 11.560 6.291 1.00 74.41 H new ATOM 0 HA VAL A 633 4.883 11.249 6.390 1.00 42.53 H new ATOM 0 HB VAL A 633 3.194 11.896 3.966 1.00 75.51 H new ATOM 0 HG11 VAL A 633 5.245 11.371 2.720 1.00 14.01 H new ATOM 0 HG12 VAL A 633 5.470 12.729 3.848 1.00 14.01 H new ATOM 0 HG13 VAL A 633 6.103 11.118 4.258 1.00 14.01 H new ATOM 0 HG21 VAL A 633 3.659 9.626 3.213 1.00 25.51 H new ATOM 0 HG22 VAL A 633 4.421 9.273 4.782 1.00 25.51 H new ATOM 0 HG23 VAL A 633 2.686 9.661 4.703 1.00 25.51 H new ATOM 797 N GLY A 634 5.135 13.766 6.416 1.00 43.00 N ATOM 798 CA GLY A 634 5.248 15.210 6.532 1.00 54.52 C ATOM 799 C GLY A 634 5.400 15.891 5.180 1.00 3.15 C ATOM 800 O GLY A 634 6.213 16.803 5.017 1.00 73.20 O ATOM 0 H GLY A 634 5.984 13.253 6.654 1.00 43.00 H new ATOM 0 HA2 GLY A 634 4.364 15.601 7.035 1.00 54.52 H new ATOM 0 HA3 GLY A 634 6.106 15.455 7.158 1.00 54.52 H new ATOM 804 N ALA A 635 4.623 15.444 4.215 1.00 4.42 N ATOM 805 CA ALA A 635 4.648 15.996 2.886 1.00 5.40 C ATOM 806 C ALA A 635 3.262 15.954 2.268 1.00 53.14 C ATOM 807 O ALA A 635 3.056 16.439 1.156 1.00 31.42 O ATOM 808 CB ALA A 635 5.635 15.233 2.012 1.00 71.22 C ATOM 0 H ALA A 635 3.954 14.683 4.336 1.00 4.42 H new ATOM 0 HA ALA A 635 4.970 17.035 2.952 1.00 5.40 H new ATOM 0 HB1 ALA A 635 5.642 15.663 1.010 1.00 71.22 H new ATOM 0 HB2 ALA A 635 6.633 15.303 2.444 1.00 71.22 H new ATOM 0 HB3 ALA A 635 5.337 14.186 1.955 1.00 71.22 H new ATOM 814 N CYS A 636 2.310 15.380 2.980 1.00 61.40 N ATOM 815 CA CYS A 636 0.972 15.259 2.465 1.00 20.21 C ATOM 816 C CYS A 636 -0.058 15.424 3.582 1.00 11.34 C ATOM 817 O CYS A 636 0.267 15.224 4.758 1.00 61.00 O ATOM 818 CB CYS A 636 0.819 13.917 1.762 1.00 65.34 C ATOM 819 SG CYS A 636 1.153 12.462 2.798 1.00 33.10 S ATOM 0 H CYS A 636 2.445 14.993 3.914 1.00 61.40 H new ATOM 0 HA CYS A 636 0.793 16.054 1.741 1.00 20.21 H new ATOM 0 HB2 CYS A 636 -0.197 13.842 1.373 1.00 65.34 H new ATOM 0 HB3 CYS A 636 1.491 13.895 0.904 1.00 65.34 H new ATOM 824 N PRO A 637 -1.304 15.823 3.233 1.00 72.34 N ATOM 825 CA PRO A 637 -2.381 16.043 4.205 1.00 10.53 C ATOM 826 C PRO A 637 -2.724 14.799 5.055 1.00 52.14 C ATOM 827 O PRO A 637 -2.902 13.696 4.523 1.00 63.13 O ATOM 828 CB PRO A 637 -3.588 16.419 3.326 1.00 44.31 C ATOM 829 CG PRO A 637 -3.236 15.956 1.959 1.00 14.30 C ATOM 830 CD PRO A 637 -1.759 16.113 1.857 1.00 34.14 C ATOM 0 HA PRO A 637 -2.091 16.801 4.933 1.00 10.53 H new ATOM 0 HB2 PRO A 637 -4.499 15.938 3.682 1.00 44.31 H new ATOM 0 HB3 PRO A 637 -3.768 17.494 3.343 1.00 44.31 H new ATOM 0 HG2 PRO A 637 -3.532 14.918 1.807 1.00 14.30 H new ATOM 0 HG3 PRO A 637 -3.747 16.548 1.200 1.00 14.30 H new ATOM 0 HD2 PRO A 637 -1.328 15.421 1.134 1.00 34.14 H new ATOM 0 HD3 PRO A 637 -1.480 17.118 1.542 1.00 34.14 H new ATOM 838 N PRO A 638 -2.830 14.974 6.395 1.00 44.33 N ATOM 839 CA PRO A 638 -3.229 13.900 7.336 1.00 44.24 C ATOM 840 C PRO A 638 -4.619 13.307 7.017 1.00 24.45 C ATOM 841 O PRO A 638 -4.993 12.282 7.551 1.00 43.52 O ATOM 842 CB PRO A 638 -3.273 14.622 8.688 1.00 63.15 C ATOM 843 CG PRO A 638 -2.332 15.757 8.525 1.00 41.42 C ATOM 844 CD PRO A 638 -2.517 16.223 7.114 1.00 34.41 C ATOM 0 HA PRO A 638 -2.542 13.055 7.294 1.00 44.24 H new ATOM 0 HB2 PRO A 638 -4.279 14.969 8.921 1.00 63.15 H new ATOM 0 HB3 PRO A 638 -2.966 13.964 9.501 1.00 63.15 H new ATOM 0 HG2 PRO A 638 -2.551 16.555 9.235 1.00 41.42 H new ATOM 0 HG3 PRO A 638 -1.303 15.444 8.704 1.00 41.42 H new ATOM 0 HD2 PRO A 638 -3.324 16.951 7.031 1.00 34.41 H new ATOM 0 HD3 PRO A 638 -1.617 16.699 6.724 1.00 34.41 H new ATOM 852 N ASP A 639 -5.387 13.975 6.151 1.00 3.34 N ATOM 853 CA ASP A 639 -6.688 13.436 5.722 1.00 13.50 C ATOM 854 C ASP A 639 -6.535 12.370 4.665 1.00 53.40 C ATOM 855 O ASP A 639 -7.519 11.756 4.264 1.00 21.33 O ATOM 856 CB ASP A 639 -7.676 14.503 5.209 1.00 63.24 C ATOM 857 CG ASP A 639 -8.262 15.390 6.287 1.00 53.42 C ATOM 858 OD1 ASP A 639 -9.296 15.024 6.884 1.00 41.44 O ATOM 859 OD2 ASP A 639 -7.715 16.477 6.541 1.00 73.45 O ATOM 0 H ASP A 639 -5.140 14.874 5.738 1.00 3.34 H new ATOM 0 HA ASP A 639 -7.110 13.005 6.630 1.00 13.50 H new ATOM 0 HB2 ASP A 639 -7.166 15.130 4.478 1.00 63.24 H new ATOM 0 HB3 ASP A 639 -8.491 14.003 4.686 1.00 63.24 H new ATOM 864 N SER A 640 -5.324 12.144 4.198 1.00 41.41 N ATOM 865 CA SER A 640 -5.109 11.127 3.206 1.00 3.04 C ATOM 866 C SER A 640 -4.403 9.919 3.797 1.00 71.43 C ATOM 867 O SER A 640 -3.600 10.055 4.715 1.00 60.11 O ATOM 868 CB SER A 640 -4.373 11.682 1.965 1.00 61.42 C ATOM 869 OG SER A 640 -3.127 12.281 2.282 1.00 22.35 O ATOM 0 H SER A 640 -4.486 12.648 4.489 1.00 41.41 H new ATOM 0 HA SER A 640 -6.088 10.791 2.864 1.00 3.04 H new ATOM 0 HB2 SER A 640 -4.210 10.872 1.254 1.00 61.42 H new ATOM 0 HB3 SER A 640 -5.008 12.417 1.471 1.00 61.42 H new ATOM 0 HG SER A 640 -3.258 12.962 2.974 1.00 22.35 H new ATOM 875 N GLY A 641 -4.749 8.749 3.302 1.00 12.52 N ATOM 876 CA GLY A 641 -4.109 7.517 3.729 1.00 51.10 C ATOM 877 C GLY A 641 -3.107 7.061 2.704 1.00 2.42 C ATOM 878 O GLY A 641 -2.301 6.147 2.944 1.00 53.45 O ATOM 0 H GLY A 641 -5.476 8.623 2.598 1.00 12.52 H new ATOM 0 HA2 GLY A 641 -3.613 7.671 4.687 1.00 51.10 H new ATOM 0 HA3 GLY A 641 -4.861 6.743 3.880 1.00 51.10 H new ATOM 882 N ALA A 642 -3.170 7.694 1.560 1.00 43.44 N ATOM 883 CA ALA A 642 -2.253 7.454 0.478 1.00 0.34 C ATOM 884 C ALA A 642 -1.984 8.774 -0.193 1.00 11.42 C ATOM 885 O ALA A 642 -2.916 9.482 -0.596 1.00 33.24 O ATOM 886 CB ALA A 642 -2.837 6.445 -0.499 1.00 40.53 C ATOM 0 H ALA A 642 -3.873 8.403 1.352 1.00 43.44 H new ATOM 0 HA ALA A 642 -1.319 7.032 0.850 1.00 0.34 H new ATOM 0 HB1 ALA A 642 -2.131 6.275 -1.312 1.00 40.53 H new ATOM 0 HB2 ALA A 642 -3.028 5.505 0.019 1.00 40.53 H new ATOM 0 HB3 ALA A 642 -3.772 6.831 -0.906 1.00 40.53 H new ATOM 892 N CYS A 643 -0.743 9.129 -0.286 1.00 44.23 N ATOM 893 CA CYS A 643 -0.376 10.397 -0.827 1.00 10.41 C ATOM 894 C CYS A 643 0.848 10.287 -1.711 1.00 40.24 C ATOM 895 O CYS A 643 1.805 9.575 -1.390 1.00 30.42 O ATOM 896 CB CYS A 643 -0.136 11.400 0.295 1.00 2.03 C ATOM 897 SG CYS A 643 1.233 10.972 1.434 1.00 64.10 S ATOM 0 H CYS A 643 0.043 8.550 0.010 1.00 44.23 H new ATOM 0 HA CYS A 643 -1.201 10.750 -1.446 1.00 10.41 H new ATOM 0 HB2 CYS A 643 0.070 12.375 -0.147 1.00 2.03 H new ATOM 0 HB3 CYS A 643 -1.053 11.501 0.875 1.00 2.03 H new ATOM 902 N GLN A 644 0.806 10.934 -2.837 1.00 72.01 N ATOM 903 CA GLN A 644 1.953 10.972 -3.703 1.00 50.55 C ATOM 904 C GLN A 644 2.567 12.318 -3.672 1.00 24.54 C ATOM 905 O GLN A 644 1.870 13.311 -3.571 1.00 31.53 O ATOM 906 CB GLN A 644 1.614 10.637 -5.133 1.00 21.15 C ATOM 907 CG GLN A 644 0.497 11.462 -5.742 1.00 72.32 C ATOM 908 CD GLN A 644 0.312 11.194 -7.223 1.00 54.01 C ATOM 909 OE1 GLN A 644 0.675 10.013 -7.659 1.00 40.31 O flip ATOM 910 NE2 GLN A 644 -0.131 12.052 -7.967 1.00 73.30 N flip ATOM 0 H GLN A 644 -0.008 11.444 -3.180 1.00 72.01 H new ATOM 0 HA GLN A 644 2.647 10.218 -3.332 1.00 50.55 H new ATOM 0 HB2 GLN A 644 2.510 10.763 -5.741 1.00 21.15 H new ATOM 0 HB3 GLN A 644 1.337 9.584 -5.187 1.00 21.15 H new ATOM 0 HG2 GLN A 644 -0.435 11.247 -5.219 1.00 72.32 H new ATOM 0 HG3 GLN A 644 0.710 12.521 -5.592 1.00 72.32 H new ATOM 0 HE21 GLN A 644 -0.404 12.961 -7.592 1.00 73.30 H new ATOM 0 HE22 GLN A 644 -0.229 11.861 -8.964 1.00 73.30 H new ATOM 918 N VAL A 645 3.845 12.357 -3.754 1.00 61.44 N ATOM 919 CA VAL A 645 4.553 13.582 -3.812 1.00 34.53 C ATOM 920 C VAL A 645 5.605 13.483 -4.891 1.00 23.24 C ATOM 921 O VAL A 645 6.316 12.470 -5.005 1.00 32.13 O ATOM 922 CB VAL A 645 5.154 14.016 -2.416 1.00 55.12 C ATOM 923 CG1 VAL A 645 6.094 12.985 -1.847 1.00 23.22 C ATOM 924 CG2 VAL A 645 5.841 15.375 -2.494 1.00 51.34 C ATOM 0 H VAL A 645 4.438 11.528 -3.783 1.00 61.44 H new ATOM 0 HA VAL A 645 3.853 14.378 -4.066 1.00 34.53 H new ATOM 0 HB VAL A 645 4.306 14.099 -1.736 1.00 55.12 H new ATOM 0 HG11 VAL A 645 6.478 13.333 -0.888 1.00 23.22 H new ATOM 0 HG12 VAL A 645 5.560 12.045 -1.705 1.00 23.22 H new ATOM 0 HG13 VAL A 645 6.924 12.830 -2.536 1.00 23.22 H new ATOM 0 HG21 VAL A 645 6.241 15.637 -1.514 1.00 51.34 H new ATOM 0 HG22 VAL A 645 6.655 15.330 -3.218 1.00 51.34 H new ATOM 0 HG23 VAL A 645 5.119 16.130 -2.805 1.00 51.34 H new ATOM 930 N SER A 646 5.654 14.476 -5.721 1.00 32.12 N ATOM 931 CA SER A 646 6.614 14.518 -6.760 1.00 41.54 C ATOM 932 C SER A 646 7.923 14.954 -6.172 1.00 13.51 C ATOM 933 O SER A 646 8.022 16.032 -5.589 1.00 40.04 O ATOM 934 CB SER A 646 6.178 15.481 -7.868 1.00 3.10 C ATOM 935 OG SER A 646 7.168 15.587 -8.889 1.00 21.24 O ATOM 0 H SER A 646 5.025 15.279 -5.691 1.00 32.12 H new ATOM 0 HA SER A 646 6.714 13.529 -7.207 1.00 41.54 H new ATOM 0 HB2 SER A 646 5.240 15.135 -8.304 1.00 3.10 H new ATOM 0 HB3 SER A 646 5.987 16.466 -7.441 1.00 3.10 H new ATOM 0 HG SER A 646 6.835 16.163 -9.609 1.00 21.24 H new ATOM 941 N ARG A 647 8.911 14.120 -6.298 1.00 33.03 N ATOM 942 CA ARG A 647 10.222 14.430 -5.795 1.00 21.21 C ATOM 943 C ARG A 647 10.837 15.511 -6.676 1.00 22.32 C ATOM 944 O ARG A 647 11.741 16.218 -6.276 1.00 61.13 O ATOM 945 CB ARG A 647 11.091 13.162 -5.741 1.00 45.24 C ATOM 946 CG ARG A 647 11.512 12.604 -7.086 1.00 15.15 C ATOM 947 CD ARG A 647 12.073 11.204 -6.945 1.00 3.14 C ATOM 948 NE ARG A 647 13.187 11.133 -6.008 1.00 22.34 N ATOM 949 CZ ARG A 647 13.488 10.057 -5.272 1.00 54.34 C ATOM 950 NH1 ARG A 647 12.787 8.940 -5.406 1.00 15.42 N ATOM 951 NH2 ARG A 647 14.493 10.099 -4.414 1.00 73.22 N ATOM 0 H ARG A 647 8.835 13.209 -6.750 1.00 33.03 H new ATOM 0 HA ARG A 647 10.157 14.808 -4.775 1.00 21.21 H new ATOM 0 HB2 ARG A 647 11.987 13.381 -5.161 1.00 45.24 H new ATOM 0 HB3 ARG A 647 10.543 12.389 -5.202 1.00 45.24 H new ATOM 0 HG2 ARG A 647 10.656 12.590 -7.761 1.00 15.15 H new ATOM 0 HG3 ARG A 647 12.261 13.256 -7.535 1.00 15.15 H new ATOM 0 HD2 ARG A 647 11.282 10.532 -6.613 1.00 3.14 H new ATOM 0 HD3 ARG A 647 12.403 10.850 -7.922 1.00 3.14 H new ATOM 0 HE ARG A 647 13.777 11.959 -5.907 1.00 22.34 H new ATOM 0 HH11 ARG A 647 12.015 8.899 -6.072 1.00 15.42 H new ATOM 0 HH12 ARG A 647 13.019 8.122 -4.843 1.00 15.42 H new ATOM 0 HH21 ARG A 647 15.041 10.953 -4.312 1.00 73.22 H new ATOM 0 HH22 ARG A 647 14.720 9.277 -3.854 1.00 73.22 H new ATOM 963 N SER A 648 10.321 15.613 -7.900 1.00 51.33 N ATOM 964 CA SER A 648 10.768 16.608 -8.829 1.00 43.44 C ATOM 965 C SER A 648 10.072 17.963 -8.542 1.00 51.22 C ATOM 966 O SER A 648 10.729 19.007 -8.422 1.00 52.10 O ATOM 967 CB SER A 648 10.464 16.152 -10.278 1.00 12.35 C ATOM 968 OG SER A 648 11.085 17.004 -11.246 1.00 54.13 O ATOM 0 H SER A 648 9.586 15.004 -8.259 1.00 51.33 H new ATOM 0 HA SER A 648 11.844 16.737 -8.715 1.00 43.44 H new ATOM 0 HB2 SER A 648 10.813 15.129 -10.418 1.00 12.35 H new ATOM 0 HB3 SER A 648 9.386 16.146 -10.438 1.00 12.35 H new ATOM 0 HG SER A 648 10.872 16.684 -12.148 1.00 54.13 H new ATOM 974 N ASP A 649 8.744 17.924 -8.382 1.00 60.40 N ATOM 975 CA ASP A 649 7.938 19.161 -8.275 1.00 13.54 C ATOM 976 C ASP A 649 7.759 19.634 -6.854 1.00 21.32 C ATOM 977 O ASP A 649 7.435 20.790 -6.626 1.00 11.44 O ATOM 978 CB ASP A 649 6.537 18.980 -8.891 1.00 22.34 C ATOM 979 CG ASP A 649 6.534 18.631 -10.360 1.00 13.05 C ATOM 980 OD1 ASP A 649 6.551 17.414 -10.700 1.00 4.31 O ATOM 981 OD2 ASP A 649 6.465 19.554 -11.197 1.00 3.21 O ATOM 0 H ASP A 649 8.202 17.062 -8.323 1.00 60.40 H new ATOM 0 HA ASP A 649 8.505 19.911 -8.826 1.00 13.54 H new ATOM 0 HB2 ASP A 649 6.013 18.196 -8.344 1.00 22.34 H new ATOM 0 HB3 ASP A 649 5.971 19.901 -8.749 1.00 22.34 H new ATOM 986 N ARG A 650 7.958 18.741 -5.917 1.00 62.22 N ATOM 987 CA ARG A 650 7.739 19.003 -4.470 1.00 65.23 C ATOM 988 C ARG A 650 6.271 19.243 -4.137 1.00 44.20 C ATOM 989 O ARG A 650 5.936 19.753 -3.064 1.00 21.35 O ATOM 990 CB ARG A 650 8.626 20.135 -3.906 1.00 55.10 C ATOM 991 CG ARG A 650 10.081 19.765 -3.656 1.00 73.24 C ATOM 992 CD ARG A 650 10.854 19.399 -4.912 1.00 24.43 C ATOM 993 NE ARG A 650 12.222 19.015 -4.572 1.00 21.41 N ATOM 994 CZ ARG A 650 13.238 18.885 -5.419 1.00 31.45 C ATOM 995 NH1 ARG A 650 13.070 19.091 -6.734 1.00 51.41 N ATOM 996 NH2 ARG A 650 14.422 18.532 -4.945 1.00 63.04 N ATOM 0 H ARG A 650 8.280 17.793 -6.114 1.00 62.22 H new ATOM 0 HA ARG A 650 8.049 18.086 -3.969 1.00 65.23 H new ATOM 0 HB2 ARG A 650 8.597 20.975 -4.600 1.00 55.10 H new ATOM 0 HB3 ARG A 650 8.191 20.481 -2.968 1.00 55.10 H new ATOM 0 HG2 ARG A 650 10.579 20.603 -3.167 1.00 73.24 H new ATOM 0 HG3 ARG A 650 10.117 18.925 -2.963 1.00 73.24 H new ATOM 0 HD2 ARG A 650 10.356 18.578 -5.427 1.00 24.43 H new ATOM 0 HD3 ARG A 650 10.867 20.245 -5.599 1.00 24.43 H new ATOM 0 HE ARG A 650 12.416 18.828 -3.588 1.00 21.41 H new ATOM 0 HH11 ARG A 650 12.153 19.351 -7.096 1.00 51.41 H new ATOM 0 HH12 ARG A 650 13.860 18.987 -7.371 1.00 51.41 H new ATOM 0 HH21 ARG A 650 14.542 18.365 -3.946 1.00 63.04 H new ATOM 0 HH22 ARG A 650 15.214 18.427 -5.579 1.00 63.04 H new ATOM 1008 N LYS A 651 5.404 18.842 -5.028 1.00 1.41 N ATOM 1009 CA LYS A 651 3.991 18.930 -4.786 1.00 24.12 C ATOM 1010 C LYS A 651 3.462 17.583 -4.462 1.00 61.41 C ATOM 1011 O LYS A 651 4.070 16.575 -4.835 1.00 52.10 O ATOM 1012 CB LYS A 651 3.247 19.488 -5.973 1.00 21.12 C ATOM 1013 CG LYS A 651 3.692 20.871 -6.367 1.00 63.01 C ATOM 1014 CD LYS A 651 2.721 21.511 -7.349 1.00 20.24 C ATOM 1015 CE LYS A 651 1.349 21.797 -6.714 1.00 71.44 C ATOM 1016 NZ LYS A 651 1.442 22.732 -5.562 1.00 71.02 N ATOM 0 H LYS A 651 5.656 18.448 -5.935 1.00 1.41 H new ATOM 0 HA LYS A 651 3.839 19.611 -3.949 1.00 24.12 H new ATOM 0 HB2 LYS A 651 3.379 18.817 -6.822 1.00 21.12 H new ATOM 0 HB3 LYS A 651 2.181 19.509 -5.746 1.00 21.12 H new ATOM 0 HG2 LYS A 651 3.775 21.495 -5.477 1.00 63.01 H new ATOM 0 HG3 LYS A 651 4.684 20.821 -6.815 1.00 63.01 H new ATOM 0 HD2 LYS A 651 3.147 22.442 -7.722 1.00 20.24 H new ATOM 0 HD3 LYS A 651 2.591 20.853 -8.208 1.00 20.24 H new ATOM 0 HE2 LYS A 651 0.684 22.218 -7.468 1.00 71.44 H new ATOM 0 HE3 LYS A 651 0.902 20.860 -6.383 1.00 71.44 H new ATOM 0 HZ1 LYS A 651 0.489 23.053 -5.297 1.00 71.02 H new ATOM 0 HZ2 LYS A 651 1.880 22.245 -4.754 1.00 71.02 H new ATOM 0 HZ3 LYS A 651 2.022 23.553 -5.827 1.00 71.02 H new ATOM 1030 N SER A 652 2.353 17.539 -3.808 1.00 32.35 N ATOM 1031 CA SER A 652 1.765 16.292 -3.453 1.00 5.34 C ATOM 1032 C SER A 652 0.291 16.264 -3.766 1.00 1.11 C ATOM 1033 O SER A 652 -0.375 17.300 -3.797 1.00 0.43 O ATOM 1034 CB SER A 652 2.062 15.915 -1.997 1.00 12.05 C ATOM 1035 OG SER A 652 1.639 16.919 -1.089 1.00 40.54 O ATOM 0 H SER A 652 1.830 18.361 -3.505 1.00 32.35 H new ATOM 0 HA SER A 652 2.231 15.525 -4.071 1.00 5.34 H new ATOM 0 HB2 SER A 652 1.563 14.976 -1.757 1.00 12.05 H new ATOM 0 HB3 SER A 652 3.132 15.747 -1.878 1.00 12.05 H new ATOM 0 HG SER A 652 2.221 16.913 -0.300 1.00 40.54 H new ATOM 1041 N TRP A 653 -0.202 15.089 -4.025 1.00 1.44 N ATOM 1042 CA TRP A 653 -1.569 14.886 -4.381 1.00 63.55 C ATOM 1043 C TRP A 653 -2.162 13.832 -3.467 1.00 42.35 C ATOM 1044 O TRP A 653 -1.435 13.006 -2.894 1.00 73.35 O ATOM 1045 CB TRP A 653 -1.687 14.457 -5.860 1.00 11.15 C ATOM 1046 CG TRP A 653 -1.167 15.478 -6.860 1.00 3.31 C ATOM 1047 CD1 TRP A 653 -1.904 16.390 -7.563 1.00 1.41 C ATOM 1048 CD2 TRP A 653 0.202 15.684 -7.260 1.00 2.21 C ATOM 1049 NE1 TRP A 653 -1.081 17.134 -8.384 1.00 53.12 N ATOM 1050 CE2 TRP A 653 0.214 16.722 -8.209 1.00 33.32 C ATOM 1051 CE3 TRP A 653 1.410 15.087 -6.905 1.00 52.33 C ATOM 1052 CZ2 TRP A 653 1.391 17.173 -8.804 1.00 14.15 C ATOM 1053 CZ3 TRP A 653 2.569 15.530 -7.485 1.00 73.43 C ATOM 1054 CH2 TRP A 653 2.558 16.564 -8.430 1.00 62.24 C ATOM 0 H TRP A 653 0.348 14.231 -3.993 1.00 1.44 H new ATOM 0 HA TRP A 653 -2.120 15.819 -4.263 1.00 63.55 H new ATOM 0 HB2 TRP A 653 -1.142 13.523 -5.998 1.00 11.15 H new ATOM 0 HB3 TRP A 653 -2.734 14.251 -6.082 1.00 11.15 H new ATOM 0 HD1 TRP A 653 -2.975 16.511 -7.487 1.00 1.41 H new ATOM 0 HE1 TRP A 653 -1.387 17.871 -9.019 1.00 53.12 H new ATOM 0 HE3 TRP A 653 1.432 14.285 -6.182 1.00 52.33 H new ATOM 0 HZ2 TRP A 653 1.382 17.971 -9.531 1.00 14.15 H new ATOM 0 HZ3 TRP A 653 3.508 15.074 -7.209 1.00 73.43 H new ATOM 0 HH2 TRP A 653 3.489 16.887 -8.872 1.00 62.24 H new ATOM 1065 N ASN A 654 -3.451 13.842 -3.352 1.00 42.12 N ATOM 1066 CA ASN A 654 -4.161 12.939 -2.466 1.00 63.30 C ATOM 1067 C ASN A 654 -4.614 11.749 -3.284 1.00 54.34 C ATOM 1068 O ASN A 654 -5.278 11.920 -4.305 1.00 42.20 O ATOM 1069 CB ASN A 654 -5.387 13.673 -1.924 1.00 24.03 C ATOM 1070 CG ASN A 654 -6.146 12.964 -0.830 1.00 14.43 C ATOM 1071 OD1 ASN A 654 -6.170 11.747 -0.739 1.00 14.55 O ATOM 1072 ND2 ASN A 654 -6.798 13.736 -0.003 1.00 61.34 N ATOM 0 H ASN A 654 -4.058 14.478 -3.870 1.00 42.12 H new ATOM 0 HA ASN A 654 -3.528 12.612 -1.642 1.00 63.30 H new ATOM 0 HB2 ASN A 654 -5.068 14.645 -1.548 1.00 24.03 H new ATOM 0 HB3 ASN A 654 -6.071 13.860 -2.752 1.00 24.03 H new ATOM 0 HD21 ASN A 654 -7.351 13.326 0.750 1.00 61.34 H new ATOM 0 HD22 ASN A 654 -6.755 14.749 -0.110 1.00 61.34 H new ATOM 1078 N LEU A 655 -4.254 10.562 -2.851 1.00 41.53 N ATOM 1079 CA LEU A 655 -4.585 9.353 -3.584 1.00 12.30 C ATOM 1080 C LEU A 655 -5.595 8.531 -2.819 1.00 53.24 C ATOM 1081 O LEU A 655 -5.782 7.347 -3.089 1.00 13.31 O ATOM 1082 CB LEU A 655 -3.332 8.514 -3.829 1.00 54.10 C ATOM 1083 CG LEU A 655 -2.201 9.175 -4.601 1.00 14.34 C ATOM 1084 CD1 LEU A 655 -1.084 8.181 -4.849 1.00 22.35 C ATOM 1085 CD2 LEU A 655 -2.704 9.759 -5.906 1.00 75.21 C ATOM 0 H LEU A 655 -3.729 10.404 -1.991 1.00 41.53 H new ATOM 0 HA LEU A 655 -5.012 9.647 -4.543 1.00 12.30 H new ATOM 0 HB2 LEU A 655 -2.942 8.196 -2.862 1.00 54.10 H new ATOM 0 HB3 LEU A 655 -3.627 7.612 -4.366 1.00 54.10 H new ATOM 0 HG LEU A 655 -1.807 9.995 -4.000 1.00 14.34 H new ATOM 0 HD11 LEU A 655 -0.281 8.667 -5.403 1.00 22.35 H new ATOM 0 HD12 LEU A 655 -0.700 7.819 -3.895 1.00 22.35 H new ATOM 0 HD13 LEU A 655 -1.467 7.341 -5.428 1.00 22.35 H new ATOM 0 HD21 LEU A 655 -1.876 10.226 -6.439 1.00 75.21 H new ATOM 0 HD22 LEU A 655 -3.129 8.965 -6.520 1.00 75.21 H new ATOM 0 HD23 LEU A 655 -3.470 10.507 -5.699 1.00 75.21 H new ATOM 1093 N GLY A 656 -6.235 9.144 -1.881 1.00 62.41 N ATOM 1094 CA GLY A 656 -7.212 8.459 -1.128 1.00 70.23 C ATOM 1095 C GLY A 656 -7.275 8.975 0.255 1.00 42.13 C ATOM 1096 O GLY A 656 -6.264 8.981 0.971 1.00 61.12 O ATOM 0 H GLY A 656 -6.094 10.120 -1.622 1.00 62.41 H new ATOM 0 HA2 GLY A 656 -8.186 8.568 -1.605 1.00 70.23 H new ATOM 0 HA3 GLY A 656 -6.982 7.394 -1.112 1.00 70.23 H new ATOM 1100 N ARG A 657 -8.446 9.425 0.651 1.00 33.15 N ATOM 1101 CA ARG A 657 -8.637 9.966 1.967 1.00 32.24 C ATOM 1102 C ARG A 657 -8.521 8.826 2.975 1.00 23.33 C ATOM 1103 O ARG A 657 -8.593 7.656 2.591 1.00 32.45 O ATOM 1104 CB ARG A 657 -10.025 10.594 2.098 1.00 43.22 C ATOM 1105 CG ARG A 657 -10.459 11.474 0.936 1.00 13.43 C ATOM 1106 CD ARG A 657 -11.864 12.024 1.167 1.00 62.42 C ATOM 1107 NE ARG A 657 -12.401 12.674 -0.025 1.00 10.50 N ATOM 1108 CZ ARG A 657 -13.050 13.831 -0.065 1.00 73.14 C ATOM 1109 NH1 ARG A 657 -13.226 14.548 1.040 1.00 64.50 N ATOM 1110 NH2 ARG A 657 -13.532 14.265 -1.231 1.00 23.21 N ATOM 0 H ARG A 657 -9.284 9.424 0.069 1.00 33.15 H new ATOM 0 HA ARG A 657 -7.885 10.733 2.151 1.00 32.24 H new ATOM 0 HB2 ARG A 657 -10.756 9.795 2.218 1.00 43.22 H new ATOM 0 HB3 ARG A 657 -10.050 11.189 3.011 1.00 43.22 H new ATOM 0 HG2 ARG A 657 -9.756 12.298 0.816 1.00 13.43 H new ATOM 0 HG3 ARG A 657 -10.436 10.899 0.010 1.00 13.43 H new ATOM 0 HD2 ARG A 657 -12.526 11.212 1.466 1.00 62.42 H new ATOM 0 HD3 ARG A 657 -11.843 12.738 1.990 1.00 62.42 H new ATOM 0 HE ARG A 657 -12.264 12.192 -0.913 1.00 10.50 H new ATOM 0 HH11 ARG A 657 -12.861 14.210 1.931 1.00 64.50 H new ATOM 0 HH12 ARG A 657 -13.726 15.436 0.998 1.00 64.50 H new ATOM 0 HH21 ARG A 657 -13.400 13.709 -2.076 1.00 23.21 H new ATOM 0 HH22 ARG A 657 -14.033 15.152 -1.277 1.00 23.21 H new ATOM 1122 N SER A 658 -8.371 9.174 4.230 1.00 11.10 N ATOM 1123 CA SER A 658 -8.248 8.216 5.299 1.00 13.23 C ATOM 1124 C SER A 658 -9.447 7.280 5.325 1.00 33.45 C ATOM 1125 O SER A 658 -10.575 7.702 5.598 1.00 2.53 O ATOM 1126 CB SER A 658 -8.137 8.967 6.612 1.00 24.23 C ATOM 1127 OG SER A 658 -9.187 9.929 6.727 1.00 32.43 O ATOM 0 H SER A 658 -8.331 10.145 4.541 1.00 11.10 H new ATOM 0 HA SER A 658 -7.356 7.609 5.142 1.00 13.23 H new ATOM 0 HB2 SER A 658 -8.186 8.265 7.445 1.00 24.23 H new ATOM 0 HB3 SER A 658 -7.170 9.466 6.672 1.00 24.23 H new ATOM 0 HG SER A 658 -9.986 9.598 6.266 1.00 32.43 H new ATOM 1133 N ASN A 659 -9.206 6.032 5.024 1.00 21.24 N ATOM 1134 CA ASN A 659 -10.259 5.060 4.925 1.00 21.42 C ATOM 1135 C ASN A 659 -9.720 3.741 5.441 1.00 41.33 C ATOM 1136 O ASN A 659 -8.513 3.543 5.442 1.00 42.45 O ATOM 1137 CB ASN A 659 -10.677 4.943 3.464 1.00 23.12 C ATOM 1138 CG ASN A 659 -11.942 4.166 3.267 1.00 23.44 C ATOM 1139 OD1 ASN A 659 -12.815 4.153 4.126 1.00 32.04 O ATOM 1140 ND2 ASN A 659 -12.045 3.513 2.159 1.00 22.31 N ATOM 0 H ASN A 659 -8.274 5.661 4.841 1.00 21.24 H new ATOM 0 HA ASN A 659 -11.130 5.349 5.513 1.00 21.42 H new ATOM 0 HB2 ASN A 659 -10.805 5.943 3.049 1.00 23.12 H new ATOM 0 HB3 ASN A 659 -9.875 4.465 2.902 1.00 23.12 H new ATOM 0 HD21 ASN A 659 -12.879 2.957 1.970 1.00 22.31 H new ATOM 0 HD22 ASN A 659 -11.292 3.553 1.472 1.00 22.31 H new ATOM 1146 N ALA A 660 -10.571 2.846 5.882 1.00 53.54 N ATOM 1147 CA ALA A 660 -10.076 1.617 6.475 1.00 25.22 C ATOM 1148 C ALA A 660 -10.715 0.406 5.847 1.00 10.43 C ATOM 1149 O ALA A 660 -10.589 -0.712 6.364 1.00 43.24 O ATOM 1150 CB ALA A 660 -10.317 1.635 7.978 1.00 32.42 C ATOM 0 H ALA A 660 -11.586 2.936 5.846 1.00 53.54 H new ATOM 0 HA ALA A 660 -9.004 1.554 6.287 1.00 25.22 H new ATOM 0 HB1 ALA A 660 -9.943 0.710 8.417 1.00 32.42 H new ATOM 0 HB2 ALA A 660 -9.795 2.484 8.420 1.00 32.42 H new ATOM 0 HB3 ALA A 660 -11.385 1.724 8.174 1.00 32.42 H new ATOM 1156 N LYS A 661 -11.343 0.614 4.717 1.00 50.52 N ATOM 1157 CA LYS A 661 -12.098 -0.426 4.070 1.00 52.43 C ATOM 1158 C LYS A 661 -11.203 -1.436 3.370 1.00 34.41 C ATOM 1159 O LYS A 661 -10.602 -1.141 2.323 1.00 62.53 O ATOM 1160 CB LYS A 661 -13.089 0.168 3.066 1.00 25.42 C ATOM 1161 CG LYS A 661 -14.048 1.185 3.644 1.00 63.00 C ATOM 1162 CD LYS A 661 -14.879 0.603 4.761 1.00 41.42 C ATOM 1163 CE LYS A 661 -15.939 1.583 5.181 1.00 20.11 C ATOM 1164 NZ LYS A 661 -16.879 1.022 6.170 1.00 14.24 N ATOM 0 H LYS A 661 -11.345 1.506 4.222 1.00 50.52 H new ATOM 0 HA LYS A 661 -12.645 -0.950 4.853 1.00 52.43 H new ATOM 0 HB2 LYS A 661 -12.528 0.637 2.258 1.00 25.42 H new ATOM 0 HB3 LYS A 661 -13.666 -0.644 2.624 1.00 25.42 H new ATOM 0 HG2 LYS A 661 -13.487 2.042 4.017 1.00 63.00 H new ATOM 0 HG3 LYS A 661 -14.705 1.553 2.856 1.00 63.00 H new ATOM 0 HD2 LYS A 661 -15.342 -0.327 4.433 1.00 41.42 H new ATOM 0 HD3 LYS A 661 -14.241 0.359 5.610 1.00 41.42 H new ATOM 0 HE2 LYS A 661 -15.462 2.468 5.602 1.00 20.11 H new ATOM 0 HE3 LYS A 661 -16.495 1.908 4.302 1.00 20.11 H new ATOM 0 HZ1 LYS A 661 -17.654 1.696 6.334 1.00 14.24 H new ATOM 0 HZ2 LYS A 661 -17.269 0.128 5.810 1.00 14.24 H new ATOM 0 HZ3 LYS A 661 -16.378 0.846 7.064 1.00 14.24 H new ATOM 1178 N LEU A 662 -11.071 -2.589 3.973 1.00 41.13 N ATOM 1179 CA LEU A 662 -10.410 -3.686 3.336 1.00 62.10 C ATOM 1180 C LEU A 662 -11.427 -4.496 2.623 1.00 35.25 C ATOM 1181 O LEU A 662 -12.424 -4.883 3.191 1.00 0.35 O ATOM 1182 CB LEU A 662 -9.661 -4.585 4.313 1.00 22.23 C ATOM 1183 CG LEU A 662 -8.368 -4.067 4.911 1.00 1.32 C ATOM 1184 CD1 LEU A 662 -7.830 -5.104 5.852 1.00 24.23 C ATOM 1185 CD2 LEU A 662 -7.347 -3.822 3.820 1.00 13.22 C ATOM 0 H LEU A 662 -11.417 -2.788 4.912 1.00 41.13 H new ATOM 0 HA LEU A 662 -9.669 -3.270 2.653 1.00 62.10 H new ATOM 0 HB2 LEU A 662 -10.337 -4.821 5.134 1.00 22.23 H new ATOM 0 HB3 LEU A 662 -9.440 -5.522 3.802 1.00 22.23 H new ATOM 0 HG LEU A 662 -8.561 -3.131 5.435 1.00 1.32 H new ATOM 0 HD11 LEU A 662 -6.899 -4.748 6.292 1.00 24.23 H new ATOM 0 HD12 LEU A 662 -8.557 -5.290 6.643 1.00 24.23 H new ATOM 0 HD13 LEU A 662 -7.643 -6.029 5.306 1.00 24.23 H new ATOM 0 HD21 LEU A 662 -6.423 -3.450 4.263 1.00 13.22 H new ATOM 0 HD22 LEU A 662 -7.147 -4.755 3.293 1.00 13.22 H new ATOM 0 HD23 LEU A 662 -7.735 -3.084 3.118 1.00 13.22 H new ATOM 1193 N SER A 663 -11.166 -4.755 1.423 1.00 24.45 N ATOM 1194 CA SER A 663 -12.026 -5.504 0.601 1.00 45.43 C ATOM 1195 C SER A 663 -11.396 -6.865 0.415 1.00 51.22 C ATOM 1196 O SER A 663 -10.190 -6.984 0.293 1.00 34.41 O ATOM 1197 CB SER A 663 -12.157 -4.793 -0.750 1.00 13.04 C ATOM 1198 OG SER A 663 -12.569 -3.434 -0.584 1.00 65.42 O ATOM 0 H SER A 663 -10.315 -4.444 0.955 1.00 24.45 H new ATOM 0 HA SER A 663 -13.017 -5.605 1.043 1.00 45.43 H new ATOM 0 HB2 SER A 663 -11.202 -4.824 -1.274 1.00 13.04 H new ATOM 0 HB3 SER A 663 -12.879 -5.321 -1.373 1.00 13.04 H new ATOM 0 HG SER A 663 -12.904 -3.303 0.328 1.00 65.42 H new ATOM 1204 N TYR A 664 -12.171 -7.862 0.406 1.00 61.51 N ATOM 1205 CA TYR A 664 -11.663 -9.167 0.208 1.00 34.42 C ATOM 1206 C TYR A 664 -12.198 -9.632 -1.104 1.00 61.34 C ATOM 1207 O TYR A 664 -13.402 -9.665 -1.309 1.00 53.42 O ATOM 1208 CB TYR A 664 -12.137 -10.103 1.339 1.00 10.45 C ATOM 1209 CG TYR A 664 -11.505 -11.484 1.344 1.00 52.44 C ATOM 1210 CD1 TYR A 664 -11.711 -12.385 0.308 1.00 11.22 C ATOM 1211 CD2 TYR A 664 -10.687 -11.874 2.387 1.00 45.23 C ATOM 1212 CE1 TYR A 664 -11.128 -13.627 0.314 1.00 22.23 C ATOM 1213 CE2 TYR A 664 -10.097 -13.121 2.395 1.00 22.15 C ATOM 1214 CZ TYR A 664 -10.320 -13.992 1.357 1.00 13.35 C ATOM 1215 OH TYR A 664 -9.732 -15.241 1.363 1.00 61.40 O ATOM 0 H TYR A 664 -13.181 -7.809 0.535 1.00 61.51 H new ATOM 0 HA TYR A 664 -10.573 -9.171 0.215 1.00 34.42 H new ATOM 0 HB2 TYR A 664 -11.931 -9.623 2.296 1.00 10.45 H new ATOM 0 HB3 TYR A 664 -13.219 -10.216 1.266 1.00 10.45 H new ATOM 0 HD1 TYR A 664 -12.344 -12.102 -0.520 1.00 11.22 H new ATOM 0 HD2 TYR A 664 -10.507 -11.194 3.206 1.00 45.23 H new ATOM 0 HE1 TYR A 664 -11.306 -14.314 -0.500 1.00 22.23 H new ATOM 0 HE2 TYR A 664 -9.460 -13.412 3.217 1.00 22.15 H new ATOM 0 HH TYR A 664 -9.189 -15.343 2.172 1.00 61.40 H new ATOM 1225 N TYR A 665 -11.324 -9.939 -1.991 1.00 54.42 N ATOM 1226 CA TYR A 665 -11.709 -10.440 -3.263 1.00 14.15 C ATOM 1227 C TYR A 665 -11.212 -11.844 -3.296 1.00 52.20 C ATOM 1228 O TYR A 665 -10.051 -12.048 -3.020 1.00 4.11 O ATOM 1229 CB TYR A 665 -11.064 -9.619 -4.376 1.00 51.14 C ATOM 1230 CG TYR A 665 -11.679 -9.912 -5.704 1.00 23.11 C ATOM 1231 CD1 TYR A 665 -12.913 -9.388 -6.004 1.00 64.54 C ATOM 1232 CD2 TYR A 665 -11.057 -10.717 -6.643 1.00 14.10 C ATOM 1233 CE1 TYR A 665 -13.525 -9.645 -7.187 1.00 62.22 C ATOM 1234 CE2 TYR A 665 -11.665 -10.980 -7.852 1.00 33.14 C ATOM 1235 CZ TYR A 665 -12.905 -10.442 -8.119 1.00 52.40 C ATOM 1236 OH TYR A 665 -13.533 -10.705 -9.320 1.00 71.14 O ATOM 0 H TYR A 665 -10.317 -9.850 -1.857 1.00 54.42 H new ATOM 0 HA TYR A 665 -12.787 -10.386 -3.414 1.00 14.15 H new ATOM 0 HB2 TYR A 665 -11.169 -8.557 -4.153 1.00 51.14 H new ATOM 0 HB3 TYR A 665 -9.996 -9.833 -4.414 1.00 51.14 H new ATOM 0 HD1 TYR A 665 -13.408 -8.756 -5.281 1.00 64.54 H new ATOM 0 HD2 TYR A 665 -10.088 -11.142 -6.427 1.00 14.10 H new ATOM 0 HE1 TYR A 665 -14.497 -9.224 -7.396 1.00 62.22 H new ATOM 0 HE2 TYR A 665 -11.173 -11.603 -8.584 1.00 33.14 H new ATOM 0 HH TYR A 665 -12.962 -11.283 -9.868 1.00 71.14 H new ATOM 1246 N ASP A 666 -12.084 -12.806 -3.602 1.00 54.25 N ATOM 1247 CA ASP A 666 -11.732 -14.247 -3.513 1.00 54.12 C ATOM 1248 C ASP A 666 -10.329 -14.553 -4.020 1.00 73.31 C ATOM 1249 O ASP A 666 -9.993 -14.313 -5.191 1.00 52.45 O ATOM 1250 CB ASP A 666 -12.762 -15.139 -4.213 1.00 72.13 C ATOM 1251 CG ASP A 666 -12.361 -16.609 -4.189 1.00 32.54 C ATOM 1252 OD1 ASP A 666 -12.454 -17.257 -3.118 1.00 24.45 O ATOM 1253 OD2 ASP A 666 -11.921 -17.133 -5.237 1.00 44.34 O ATOM 0 H ASP A 666 -13.039 -12.627 -3.914 1.00 54.25 H new ATOM 0 HA ASP A 666 -11.747 -14.481 -2.448 1.00 54.12 H new ATOM 0 HB2 ASP A 666 -13.731 -15.021 -3.729 1.00 72.13 H new ATOM 0 HB3 ASP A 666 -12.880 -14.813 -5.246 1.00 72.13 H new ATOM 1258 N GLY A 667 -9.522 -15.070 -3.120 1.00 4.11 N ATOM 1259 CA GLY A 667 -8.155 -15.373 -3.417 1.00 62.35 C ATOM 1260 C GLY A 667 -7.169 -14.349 -2.841 1.00 24.00 C ATOM 1261 O GLY A 667 -5.990 -14.645 -2.707 1.00 53.31 O ATOM 0 H GLY A 667 -9.803 -15.289 -2.164 1.00 4.11 H new ATOM 0 HA2 GLY A 667 -7.915 -16.360 -3.023 1.00 62.35 H new ATOM 0 HA3 GLY A 667 -8.027 -15.422 -4.498 1.00 62.35 H new ATOM 1265 N MET A 668 -7.643 -13.144 -2.506 1.00 31.54 N ATOM 1266 CA MET A 668 -6.747 -12.083 -2.013 1.00 24.11 C ATOM 1267 C MET A 668 -7.489 -11.047 -1.165 1.00 34.24 C ATOM 1268 O MET A 668 -8.672 -11.190 -0.861 1.00 64.44 O ATOM 1269 CB MET A 668 -6.068 -11.372 -3.188 1.00 55.20 C ATOM 1270 CG MET A 668 -7.048 -10.719 -4.160 1.00 3.22 C ATOM 1271 SD MET A 668 -6.240 -9.966 -5.583 1.00 11.53 S ATOM 1272 CE MET A 668 -5.440 -11.400 -6.304 1.00 21.41 C ATOM 0 H MET A 668 -8.626 -12.878 -2.564 1.00 31.54 H new ATOM 0 HA MET A 668 -6.000 -12.567 -1.384 1.00 24.11 H new ATOM 0 HB2 MET A 668 -5.394 -10.609 -2.799 1.00 55.20 H new ATOM 0 HB3 MET A 668 -5.456 -12.091 -3.732 1.00 55.20 H new ATOM 0 HG2 MET A 668 -7.758 -11.469 -4.508 1.00 3.22 H new ATOM 0 HG3 MET A 668 -7.622 -9.958 -3.631 1.00 3.22 H new ATOM 0 HE1 MET A 668 -5.268 -11.225 -7.366 1.00 21.41 H new ATOM 0 HE2 MET A 668 -4.486 -11.574 -5.805 1.00 21.41 H new ATOM 0 HE3 MET A 668 -6.079 -12.274 -6.180 1.00 21.41 H new ATOM 1282 N ILE A 669 -6.772 -10.011 -0.784 1.00 65.23 N ATOM 1283 CA ILE A 669 -7.324 -8.902 -0.040 1.00 70.41 C ATOM 1284 C ILE A 669 -6.923 -7.611 -0.769 1.00 43.32 C ATOM 1285 O ILE A 669 -5.827 -7.520 -1.299 1.00 32.52 O ATOM 1286 CB ILE A 669 -6.849 -8.831 1.486 1.00 11.21 C ATOM 1287 CG1 ILE A 669 -7.209 -10.100 2.313 1.00 51.34 C ATOM 1288 CG2 ILE A 669 -7.440 -7.609 2.183 1.00 24.34 C ATOM 1289 CD1 ILE A 669 -6.410 -11.349 1.986 1.00 21.15 C ATOM 0 H ILE A 669 -5.777 -9.916 -0.986 1.00 65.23 H new ATOM 0 HA ILE A 669 -8.405 -9.037 0.001 1.00 70.41 H new ATOM 0 HB ILE A 669 -5.762 -8.761 1.446 1.00 11.21 H new ATOM 0 HG12 ILE A 669 -7.075 -9.872 3.370 1.00 51.34 H new ATOM 0 HG13 ILE A 669 -8.267 -10.319 2.166 1.00 51.34 H new ATOM 0 HG21 ILE A 669 -7.103 -7.583 3.219 1.00 24.34 H new ATOM 0 HG22 ILE A 669 -7.112 -6.704 1.671 1.00 24.34 H new ATOM 0 HG23 ILE A 669 -8.528 -7.666 2.157 1.00 24.34 H new ATOM 0 HD11 ILE A 669 -6.743 -12.170 2.620 1.00 21.15 H new ATOM 0 HD12 ILE A 669 -6.561 -11.614 0.940 1.00 21.15 H new ATOM 0 HD13 ILE A 669 -5.351 -11.160 2.163 1.00 21.15 H new ATOM 1296 N GLN A 670 -7.821 -6.680 -0.852 1.00 41.11 N ATOM 1297 CA GLN A 670 -7.586 -5.392 -1.472 1.00 23.13 C ATOM 1298 C GLN A 670 -7.965 -4.288 -0.493 1.00 35.13 C ATOM 1299 O GLN A 670 -8.772 -4.499 0.372 1.00 64.33 O ATOM 1300 CB GLN A 670 -8.396 -5.258 -2.782 1.00 21.12 C ATOM 1301 CG GLN A 670 -7.875 -6.110 -3.951 1.00 61.52 C ATOM 1302 CD GLN A 670 -8.804 -6.123 -5.165 1.00 21.11 C ATOM 1303 OE1 GLN A 670 -9.571 -5.069 -5.357 1.00 41.02 O flip ATOM 1304 NE2 GLN A 670 -8.840 -7.090 -5.915 1.00 11.31 N flip ATOM 0 H GLN A 670 -8.766 -6.787 -0.484 1.00 41.11 H new ATOM 0 HA GLN A 670 -6.529 -5.304 -1.724 1.00 23.13 H new ATOM 0 HB2 GLN A 670 -9.431 -5.534 -2.583 1.00 21.12 H new ATOM 0 HB3 GLN A 670 -8.398 -4.211 -3.086 1.00 21.12 H new ATOM 0 HG2 GLN A 670 -6.899 -5.734 -4.256 1.00 61.52 H new ATOM 0 HG3 GLN A 670 -7.729 -7.133 -3.606 1.00 61.52 H new ATOM 0 HE21 GLN A 670 -8.235 -7.892 -5.742 1.00 11.31 H new ATOM 0 HE22 GLN A 670 -9.475 -7.093 -6.713 1.00 11.31 H new ATOM 1312 N LEU A 671 -7.360 -3.145 -0.606 1.00 43.24 N ATOM 1313 CA LEU A 671 -7.726 -2.030 0.249 1.00 52.35 C ATOM 1314 C LEU A 671 -8.190 -0.925 -0.666 1.00 43.45 C ATOM 1315 O LEU A 671 -7.461 -0.532 -1.587 1.00 52.05 O ATOM 1316 CB LEU A 671 -6.513 -1.575 1.110 1.00 14.41 C ATOM 1317 CG LEU A 671 -6.781 -0.695 2.372 1.00 50.13 C ATOM 1318 CD1 LEU A 671 -5.488 -0.384 3.086 1.00 73.45 C ATOM 1319 CD2 LEU A 671 -7.522 0.588 2.059 1.00 20.00 C ATOM 0 H LEU A 671 -6.614 -2.949 -1.274 1.00 43.24 H new ATOM 0 HA LEU A 671 -8.514 -2.310 0.948 1.00 52.35 H new ATOM 0 HB2 LEU A 671 -5.985 -2.471 1.437 1.00 14.41 H new ATOM 0 HB3 LEU A 671 -5.834 -1.024 0.460 1.00 14.41 H new ATOM 0 HG LEU A 671 -7.428 -1.283 3.023 1.00 50.13 H new ATOM 0 HD11 LEU A 671 -5.695 0.230 3.963 1.00 73.45 H new ATOM 0 HD12 LEU A 671 -5.012 -1.314 3.398 1.00 73.45 H new ATOM 0 HD13 LEU A 671 -4.822 0.157 2.414 1.00 73.45 H new ATOM 0 HD21 LEU A 671 -7.676 1.153 2.978 1.00 20.00 H new ATOM 0 HD22 LEU A 671 -6.936 1.185 1.360 1.00 20.00 H new ATOM 0 HD23 LEU A 671 -8.488 0.351 1.613 1.00 20.00 H new ATOM 1327 N THR A 672 -9.377 -0.448 -0.437 1.00 70.04 N ATOM 1328 CA THR A 672 -9.965 0.558 -1.273 1.00 32.24 C ATOM 1329 C THR A 672 -9.939 1.929 -0.565 1.00 73.02 C ATOM 1330 O THR A 672 -10.418 2.062 0.554 1.00 22.32 O ATOM 1331 CB THR A 672 -11.434 0.162 -1.588 1.00 32.34 C ATOM 1332 OG1 THR A 672 -11.465 -1.173 -2.149 1.00 31.00 O ATOM 1333 CG2 THR A 672 -12.063 1.135 -2.581 1.00 3.51 C ATOM 0 H THR A 672 -9.968 -0.747 0.339 1.00 70.04 H new ATOM 0 HA THR A 672 -9.393 0.633 -2.198 1.00 32.24 H new ATOM 0 HB THR A 672 -12.003 0.194 -0.659 1.00 32.34 H new ATOM 0 HG1 THR A 672 -11.858 -1.792 -1.499 1.00 31.00 H new ATOM 0 HG21 THR A 672 -13.091 0.834 -2.784 1.00 3.51 H new ATOM 0 HG22 THR A 672 -12.055 2.140 -2.160 1.00 3.51 H new ATOM 0 HG23 THR A 672 -11.493 1.126 -3.510 1.00 3.51 H new ATOM 1339 N TYR A 673 -9.346 2.931 -1.193 1.00 73.34 N ATOM 1340 CA TYR A 673 -9.375 4.274 -0.651 1.00 65.12 C ATOM 1341 C TYR A 673 -10.356 5.159 -1.382 1.00 15.31 C ATOM 1342 O TYR A 673 -10.909 4.772 -2.408 1.00 25.13 O ATOM 1343 CB TYR A 673 -7.999 4.916 -0.575 1.00 21.22 C ATOM 1344 CG TYR A 673 -7.173 4.451 0.594 1.00 31.01 C ATOM 1345 CD1 TYR A 673 -7.490 4.885 1.860 1.00 14.43 C ATOM 1346 CD2 TYR A 673 -6.089 3.594 0.446 1.00 42.22 C ATOM 1347 CE1 TYR A 673 -6.780 4.492 2.955 1.00 14.52 C ATOM 1348 CE2 TYR A 673 -5.357 3.192 1.556 1.00 24.43 C ATOM 1349 CZ TYR A 673 -5.722 3.653 2.810 1.00 24.43 C ATOM 1350 OH TYR A 673 -5.039 3.255 3.923 1.00 73.51 O ATOM 0 H TYR A 673 -8.841 2.838 -2.075 1.00 73.34 H new ATOM 0 HA TYR A 673 -9.725 4.171 0.376 1.00 65.12 H new ATOM 0 HB2 TYR A 673 -7.458 4.703 -1.497 1.00 21.22 H new ATOM 0 HB3 TYR A 673 -8.116 5.998 -0.517 1.00 21.22 H new ATOM 0 HD1 TYR A 673 -8.326 5.557 1.990 1.00 14.43 H new ATOM 0 HD2 TYR A 673 -5.815 3.239 -0.536 1.00 42.22 H new ATOM 0 HE1 TYR A 673 -7.058 4.847 3.936 1.00 14.52 H new ATOM 0 HE2 TYR A 673 -4.513 2.528 1.443 1.00 24.43 H new ATOM 0 HH TYR A 673 -4.101 3.091 3.690 1.00 73.51 H new ATOM 1360 N ARG A 674 -10.561 6.349 -0.848 1.00 73.44 N ATOM 1361 CA ARG A 674 -11.540 7.283 -1.382 1.00 5.11 C ATOM 1362 C ARG A 674 -10.992 8.070 -2.567 1.00 45.53 C ATOM 1363 O ARG A 674 -9.827 7.935 -2.927 1.00 2.43 O ATOM 1364 CB ARG A 674 -12.022 8.248 -0.301 1.00 43.21 C ATOM 1365 CG ARG A 674 -12.627 7.576 0.933 1.00 45.42 C ATOM 1366 CD ARG A 674 -13.857 6.727 0.605 1.00 54.24 C ATOM 1367 NE ARG A 674 -14.965 7.523 0.082 1.00 52.33 N ATOM 1368 CZ ARG A 674 -16.120 7.025 -0.370 1.00 52.54 C ATOM 1369 NH1 ARG A 674 -16.319 5.707 -0.412 1.00 31.31 N ATOM 1370 NH2 ARG A 674 -17.070 7.849 -0.792 1.00 2.30 N ATOM 0 H ARG A 674 -10.055 6.697 -0.033 1.00 73.44 H new ATOM 0 HA ARG A 674 -12.383 6.688 -1.732 1.00 5.11 H new ATOM 0 HB2 ARG A 674 -11.182 8.867 0.014 1.00 43.21 H new ATOM 0 HB3 ARG A 674 -12.766 8.916 -0.735 1.00 43.21 H new ATOM 0 HG2 ARG A 674 -11.872 6.946 1.405 1.00 45.42 H new ATOM 0 HG3 ARG A 674 -12.903 8.341 1.659 1.00 45.42 H new ATOM 0 HD2 ARG A 674 -13.584 5.966 -0.126 1.00 54.24 H new ATOM 0 HD3 ARG A 674 -14.183 6.203 1.504 1.00 54.24 H new ATOM 0 HE ARG A 674 -14.848 8.536 0.060 1.00 52.33 H new ATOM 0 HH11 ARG A 674 -15.587 5.070 -0.098 1.00 31.31 H new ATOM 0 HH12 ARG A 674 -17.204 5.336 -0.758 1.00 31.31 H new ATOM 0 HH21 ARG A 674 -16.917 8.857 -0.771 1.00 2.30 H new ATOM 0 HH22 ARG A 674 -17.953 7.474 -1.138 1.00 2.30 H new ATOM 1382 N ASP A 675 -11.861 8.900 -3.118 1.00 44.34 N ATOM 1383 CA ASP A 675 -11.622 9.758 -4.296 1.00 51.14 C ATOM 1384 C ASP A 675 -10.360 10.625 -4.157 1.00 62.21 C ATOM 1385 O ASP A 675 -9.683 10.894 -5.135 1.00 43.12 O ATOM 1386 CB ASP A 675 -12.851 10.669 -4.507 1.00 12.11 C ATOM 1387 CG ASP A 675 -13.024 11.732 -3.431 1.00 2.15 C ATOM 1388 OD1 ASP A 675 -12.903 11.406 -2.235 1.00 45.11 O ATOM 1389 OD2 ASP A 675 -13.248 12.923 -3.769 1.00 63.01 O ATOM 0 H ASP A 675 -12.805 9.009 -2.747 1.00 44.34 H new ATOM 0 HA ASP A 675 -11.466 9.104 -5.154 1.00 51.14 H new ATOM 0 HB2 ASP A 675 -12.765 11.159 -5.477 1.00 12.11 H new ATOM 0 HB3 ASP A 675 -13.748 10.050 -4.540 1.00 12.11 H new ATOM 1394 N GLY A 676 -10.108 11.095 -2.954 1.00 25.14 N ATOM 1395 CA GLY A 676 -8.897 11.839 -2.668 1.00 72.11 C ATOM 1396 C GLY A 676 -8.828 13.175 -3.391 1.00 63.43 C ATOM 1397 O GLY A 676 -9.558 14.110 -3.063 1.00 33.34 O ATOM 0 H GLY A 676 -10.729 10.975 -2.153 1.00 25.14 H new ATOM 0 HA2 GLY A 676 -8.829 12.011 -1.594 1.00 72.11 H new ATOM 0 HA3 GLY A 676 -8.033 11.236 -2.949 1.00 72.11 H new ATOM 1401 N THR A 677 -7.931 13.277 -4.333 1.00 21.41 N ATOM 1402 CA THR A 677 -7.764 14.466 -5.124 1.00 63.12 C ATOM 1403 C THR A 677 -7.584 14.104 -6.611 1.00 22.41 C ATOM 1404 O THR A 677 -6.806 13.217 -6.944 1.00 44.32 O ATOM 1405 CB THR A 677 -6.603 15.337 -4.574 1.00 62.30 C ATOM 1406 OG1 THR A 677 -6.978 15.810 -3.270 1.00 42.45 O ATOM 1407 CG2 THR A 677 -6.272 16.527 -5.474 1.00 34.14 C ATOM 0 H THR A 677 -7.286 12.526 -4.577 1.00 21.41 H new ATOM 0 HA THR A 677 -8.668 15.071 -5.051 1.00 63.12 H new ATOM 0 HB THR A 677 -5.706 14.718 -4.534 1.00 62.30 H new ATOM 0 HG1 THR A 677 -6.257 16.362 -2.902 1.00 42.45 H new ATOM 0 HG21 THR A 677 -5.453 17.097 -5.036 1.00 34.14 H new ATOM 0 HG22 THR A 677 -5.977 16.167 -6.460 1.00 34.14 H new ATOM 0 HG23 THR A 677 -7.149 17.167 -5.569 1.00 34.14 H new ATOM 1413 N PRO A 678 -8.330 14.765 -7.511 1.00 24.34 N ATOM 1414 CA PRO A 678 -8.297 14.483 -8.947 1.00 12.12 C ATOM 1415 C PRO A 678 -6.985 14.868 -9.640 1.00 65.30 C ATOM 1416 O PRO A 678 -6.245 15.712 -9.147 1.00 10.21 O ATOM 1417 CB PRO A 678 -9.471 15.278 -9.491 1.00 41.31 C ATOM 1418 CG PRO A 678 -9.552 16.441 -8.573 1.00 24.40 C ATOM 1419 CD PRO A 678 -9.281 15.864 -7.211 1.00 31.42 C ATOM 0 HA PRO A 678 -8.364 13.412 -9.136 1.00 12.12 H new ATOM 0 HB2 PRO A 678 -9.302 15.590 -10.522 1.00 41.31 H new ATOM 0 HB3 PRO A 678 -10.391 14.694 -9.482 1.00 41.31 H new ATOM 0 HG2 PRO A 678 -8.819 17.205 -8.834 1.00 24.40 H new ATOM 0 HG3 PRO A 678 -10.533 16.913 -8.616 1.00 24.40 H new ATOM 0 HD2 PRO A 678 -8.848 16.602 -6.536 1.00 31.42 H new ATOM 0 HD3 PRO A 678 -10.191 15.495 -6.738 1.00 31.42 H new ATOM 1427 N TYR A 679 -6.711 14.178 -10.764 1.00 35.41 N ATOM 1428 CA TYR A 679 -5.497 14.361 -11.606 1.00 73.33 C ATOM 1429 C TYR A 679 -5.122 15.839 -11.821 1.00 51.42 C ATOM 1430 O TYR A 679 -4.317 16.408 -11.077 1.00 23.12 O ATOM 1431 CB TYR A 679 -5.688 13.741 -13.023 1.00 22.50 C ATOM 1432 CG TYR A 679 -5.767 12.231 -13.160 1.00 21.22 C ATOM 1433 CD1 TYR A 679 -6.734 11.483 -12.512 1.00 30.45 C ATOM 1434 CD2 TYR A 679 -4.872 11.566 -13.983 1.00 14.22 C ATOM 1435 CE1 TYR A 679 -6.809 10.115 -12.670 1.00 74.44 C ATOM 1436 CE2 TYR A 679 -4.944 10.199 -14.158 1.00 11.05 C ATOM 1437 CZ TYR A 679 -5.915 9.478 -13.494 1.00 60.23 C ATOM 1438 OH TYR A 679 -6.006 8.122 -13.675 1.00 54.03 O ATOM 0 H TYR A 679 -7.338 13.459 -11.126 1.00 35.41 H new ATOM 0 HA TYR A 679 -4.703 13.859 -11.053 1.00 73.33 H new ATOM 0 HB2 TYR A 679 -6.603 14.158 -13.444 1.00 22.50 H new ATOM 0 HB3 TYR A 679 -4.863 14.086 -13.647 1.00 22.50 H new ATOM 0 HD1 TYR A 679 -7.445 11.981 -11.869 1.00 30.45 H new ATOM 0 HD2 TYR A 679 -4.105 12.127 -14.496 1.00 14.22 H new ATOM 0 HE1 TYR A 679 -7.566 9.548 -12.149 1.00 74.44 H new ATOM 0 HE2 TYR A 679 -4.245 9.697 -14.810 1.00 11.05 H new ATOM 0 HH TYR A 679 -5.115 7.756 -13.856 1.00 54.03 H new ATOM 1448 N ASN A 680 -5.739 16.422 -12.853 1.00 43.20 N ATOM 1449 CA ASN A 680 -5.494 17.794 -13.342 1.00 63.50 C ATOM 1450 C ASN A 680 -6.130 17.900 -14.723 1.00 71.44 C ATOM 1451 O ASN A 680 -5.783 18.765 -15.516 1.00 54.54 O ATOM 1452 CB ASN A 680 -3.960 18.074 -13.499 1.00 52.52 C ATOM 1453 CG ASN A 680 -3.248 17.136 -14.496 1.00 41.41 C ATOM 1454 OD1 ASN A 680 -2.755 16.068 -14.126 1.00 44.30 O ATOM 1455 ND2 ASN A 680 -3.185 17.525 -15.751 1.00 1.11 N ATOM 0 H ASN A 680 -6.453 15.937 -13.397 1.00 43.20 H new ATOM 0 HA ASN A 680 -5.910 18.509 -12.632 1.00 63.50 H new ATOM 0 HB2 ASN A 680 -3.821 19.105 -13.824 1.00 52.52 H new ATOM 0 HB3 ASN A 680 -3.483 17.980 -12.524 1.00 52.52 H new ATOM 0 HD21 ASN A 680 -2.720 16.938 -16.444 1.00 1.11 H new ATOM 0 HD22 ASN A 680 -3.601 18.413 -16.031 1.00 1.11 H new ATOM 1461 N ASN A 681 -7.109 17.059 -14.974 1.00 23.44 N ATOM 1462 CA ASN A 681 -7.652 16.890 -16.302 1.00 61.43 C ATOM 1463 C ASN A 681 -8.999 17.578 -16.455 1.00 32.05 C ATOM 1464 O ASN A 681 -9.622 17.970 -15.455 1.00 52.22 O ATOM 1465 CB ASN A 681 -7.744 15.378 -16.655 1.00 42.10 C ATOM 1466 CG ASN A 681 -8.606 14.549 -15.681 1.00 32.43 C ATOM 1467 OD1 ASN A 681 -8.719 14.866 -14.485 1.00 42.34 O ATOM 1468 ND2 ASN A 681 -9.186 13.478 -16.169 1.00 2.35 N ATOM 0 H ASN A 681 -7.550 16.474 -14.264 1.00 23.44 H new ATOM 0 HA ASN A 681 -6.973 17.370 -17.007 1.00 61.43 H new ATOM 0 HB2 ASN A 681 -8.153 15.276 -17.660 1.00 42.10 H new ATOM 0 HB3 ASN A 681 -6.737 14.960 -16.676 1.00 42.10 H new ATOM 0 HD21 ASN A 681 -9.747 12.881 -15.562 1.00 2.35 H new ATOM 0 HD22 ASN A 681 -9.075 13.243 -17.155 1.00 2.35 H new ATOM 1474 N GLU A 682 -9.446 17.719 -17.707 1.00 30.34 N ATOM 1475 CA GLU A 682 -10.737 18.346 -18.040 1.00 44.55 C ATOM 1476 C GLU A 682 -11.866 17.612 -17.348 1.00 60.23 C ATOM 1477 O GLU A 682 -12.804 18.213 -16.840 1.00 0.41 O ATOM 1478 CB GLU A 682 -10.971 18.277 -19.553 1.00 33.24 C ATOM 1479 CG GLU A 682 -12.269 18.918 -20.020 1.00 53.32 C ATOM 1480 CD GLU A 682 -12.533 18.682 -21.485 1.00 71.03 C ATOM 1481 OE1 GLU A 682 -11.826 19.261 -22.329 1.00 11.41 O ATOM 1482 OE2 GLU A 682 -13.468 17.922 -21.817 1.00 10.34 O ATOM 0 H GLU A 682 -8.924 17.402 -18.524 1.00 30.34 H new ATOM 0 HA GLU A 682 -10.713 19.384 -17.709 1.00 44.55 H new ATOM 0 HB2 GLU A 682 -10.137 18.764 -20.059 1.00 33.24 H new ATOM 0 HB3 GLU A 682 -10.965 17.232 -19.862 1.00 33.24 H new ATOM 0 HG2 GLU A 682 -13.098 18.520 -19.436 1.00 53.32 H new ATOM 0 HG3 GLU A 682 -12.231 19.990 -19.829 1.00 53.32 H new ATOM 1489 N LYS A 683 -11.728 16.313 -17.298 1.00 53.13 N ATOM 1490 CA LYS A 683 -12.715 15.434 -16.737 1.00 40.01 C ATOM 1491 C LYS A 683 -12.701 15.479 -15.199 1.00 35.45 C ATOM 1492 O LYS A 683 -13.665 15.051 -14.558 1.00 22.25 O ATOM 1493 CB LYS A 683 -12.411 14.027 -17.240 1.00 44.43 C ATOM 1494 CG LYS A 683 -13.357 12.948 -16.786 1.00 44.15 C ATOM 1495 CD LYS A 683 -12.956 11.635 -17.396 1.00 21.44 C ATOM 1496 CE LYS A 683 -13.848 10.501 -16.943 1.00 55.11 C ATOM 1497 NZ LYS A 683 -15.253 10.705 -17.326 1.00 35.41 N ATOM 0 H LYS A 683 -10.905 15.827 -17.655 1.00 53.13 H new ATOM 0 HA LYS A 683 -13.712 15.747 -17.047 1.00 40.01 H new ATOM 0 HB2 LYS A 683 -12.407 14.045 -18.330 1.00 44.43 H new ATOM 0 HB3 LYS A 683 -11.404 13.758 -16.922 1.00 44.43 H new ATOM 0 HG2 LYS A 683 -13.345 12.874 -15.699 1.00 44.15 H new ATOM 0 HG3 LYS A 683 -14.377 13.199 -17.077 1.00 44.15 H new ATOM 0 HD2 LYS A 683 -12.994 11.714 -18.482 1.00 21.44 H new ATOM 0 HD3 LYS A 683 -11.923 11.412 -17.129 1.00 21.44 H new ATOM 0 HE2 LYS A 683 -13.489 9.566 -17.373 1.00 55.11 H new ATOM 0 HE3 LYS A 683 -13.781 10.400 -15.860 1.00 55.11 H new ATOM 0 HZ1 LYS A 683 -15.792 9.834 -17.147 1.00 35.41 H new ATOM 0 HZ2 LYS A 683 -15.656 11.483 -16.766 1.00 35.41 H new ATOM 0 HZ3 LYS A 683 -15.306 10.943 -18.337 1.00 35.41 H new ATOM 1511 N ARG A 684 -11.619 16.049 -14.623 1.00 22.22 N ATOM 1512 CA ARG A 684 -11.394 16.107 -13.196 1.00 43.20 C ATOM 1513 C ARG A 684 -11.676 14.776 -12.530 1.00 42.10 C ATOM 1514 O ARG A 684 -12.728 14.545 -11.933 1.00 60.35 O ATOM 1515 CB ARG A 684 -12.115 17.273 -12.559 1.00 61.03 C ATOM 1516 CG ARG A 684 -11.793 17.461 -11.109 1.00 53.22 C ATOM 1517 CD ARG A 684 -12.314 18.764 -10.634 1.00 25.05 C ATOM 1518 NE ARG A 684 -13.778 18.851 -10.673 1.00 74.45 N ATOM 1519 CZ ARG A 684 -14.485 19.886 -10.205 1.00 42.22 C ATOM 1520 NH1 ARG A 684 -13.867 20.898 -9.602 1.00 30.03 N ATOM 1521 NH2 ARG A 684 -15.807 19.896 -10.331 1.00 22.14 N ATOM 0 H ARG A 684 -10.873 16.485 -15.165 1.00 22.22 H new ATOM 0 HA ARG A 684 -10.333 16.298 -13.033 1.00 43.20 H new ATOM 0 HB2 ARG A 684 -11.861 18.185 -13.100 1.00 61.03 H new ATOM 0 HB3 ARG A 684 -13.190 17.127 -12.667 1.00 61.03 H new ATOM 0 HG2 ARG A 684 -12.230 16.651 -10.524 1.00 53.22 H new ATOM 0 HG3 ARG A 684 -10.714 17.416 -10.960 1.00 53.22 H new ATOM 0 HD2 ARG A 684 -11.974 18.933 -9.612 1.00 25.05 H new ATOM 0 HD3 ARG A 684 -11.893 19.561 -11.246 1.00 25.05 H new ATOM 0 HE ARG A 684 -14.291 18.071 -11.084 1.00 74.45 H new ATOM 0 HH11 ARG A 684 -12.853 20.886 -9.496 1.00 30.03 H new ATOM 0 HH12 ARG A 684 -14.408 21.686 -9.246 1.00 30.03 H new ATOM 0 HH21 ARG A 684 -16.282 19.115 -10.784 1.00 22.14 H new ATOM 0 HH22 ARG A 684 -16.347 20.684 -9.975 1.00 22.14 H new ATOM 1533 N THR A 685 -10.758 13.900 -12.694 1.00 1.14 N ATOM 1534 CA THR A 685 -10.908 12.553 -12.256 1.00 63.32 C ATOM 1535 C THR A 685 -10.175 12.305 -10.941 1.00 42.13 C ATOM 1536 O THR A 685 -8.970 12.483 -10.879 1.00 51.34 O ATOM 1537 CB THR A 685 -10.348 11.636 -13.322 1.00 74.22 C ATOM 1538 OG1 THR A 685 -10.981 11.950 -14.570 1.00 13.01 O ATOM 1539 CG2 THR A 685 -10.620 10.212 -12.959 1.00 24.32 C ATOM 0 H THR A 685 -9.863 14.096 -13.143 1.00 1.14 H new ATOM 0 HA THR A 685 -11.967 12.357 -12.090 1.00 63.32 H new ATOM 0 HB THR A 685 -9.270 11.775 -13.406 1.00 74.22 H new ATOM 0 HG1 THR A 685 -10.750 11.268 -15.235 1.00 13.01 H new ATOM 0 HG21 THR A 685 -10.215 9.556 -13.730 1.00 24.32 H new ATOM 0 HG22 THR A 685 -10.148 9.984 -12.003 1.00 24.32 H new ATOM 0 HG23 THR A 685 -11.696 10.056 -12.879 1.00 24.32 H new ATOM 1545 N PRO A 686 -10.901 11.913 -9.874 1.00 15.20 N ATOM 1546 CA PRO A 686 -10.303 11.636 -8.556 1.00 61.21 C ATOM 1547 C PRO A 686 -9.296 10.480 -8.580 1.00 45.52 C ATOM 1548 O PRO A 686 -9.544 9.431 -9.193 1.00 44.13 O ATOM 1549 CB PRO A 686 -11.504 11.264 -7.679 1.00 42.10 C ATOM 1550 CG PRO A 686 -12.601 10.919 -8.620 1.00 3.31 C ATOM 1551 CD PRO A 686 -12.362 11.713 -9.865 1.00 21.32 C ATOM 0 HA PRO A 686 -9.737 12.495 -8.197 1.00 61.21 H new ATOM 0 HB2 PRO A 686 -11.267 10.422 -7.029 1.00 42.10 H new ATOM 0 HB3 PRO A 686 -11.789 12.095 -7.034 1.00 42.10 H new ATOM 0 HG2 PRO A 686 -12.604 9.851 -8.836 1.00 3.31 H new ATOM 0 HG3 PRO A 686 -13.572 11.159 -8.188 1.00 3.31 H new ATOM 0 HD2 PRO A 686 -12.699 11.178 -10.753 1.00 21.32 H new ATOM 0 HD3 PRO A 686 -12.897 12.663 -9.844 1.00 21.32 H new ATOM 1559 N ARG A 687 -8.166 10.689 -7.933 1.00 44.33 N ATOM 1560 CA ARG A 687 -7.139 9.682 -7.812 1.00 51.41 C ATOM 1561 C ARG A 687 -7.340 8.880 -6.552 1.00 21.04 C ATOM 1562 O ARG A 687 -7.353 9.425 -5.458 1.00 54.13 O ATOM 1563 CB ARG A 687 -5.748 10.311 -7.808 1.00 61.31 C ATOM 1564 CG ARG A 687 -5.292 10.849 -9.146 1.00 4.32 C ATOM 1565 CD ARG A 687 -3.940 11.535 -9.028 1.00 11.43 C ATOM 1566 NE ARG A 687 -3.358 11.829 -10.341 1.00 31.43 N ATOM 1567 CZ ARG A 687 -2.482 12.806 -10.614 1.00 52.22 C ATOM 1568 NH1 ARG A 687 -2.123 13.680 -9.675 1.00 20.15 N ATOM 1569 NH2 ARG A 687 -1.966 12.895 -11.827 1.00 42.41 N ATOM 0 H ARG A 687 -7.936 11.571 -7.474 1.00 44.33 H new ATOM 0 HA ARG A 687 -7.215 9.021 -8.676 1.00 51.41 H new ATOM 0 HB2 ARG A 687 -5.734 11.123 -7.082 1.00 61.31 H new ATOM 0 HB3 ARG A 687 -5.029 9.566 -7.467 1.00 61.31 H new ATOM 0 HG2 ARG A 687 -5.228 10.034 -9.867 1.00 4.32 H new ATOM 0 HG3 ARG A 687 -6.029 11.555 -9.528 1.00 4.32 H new ATOM 0 HD2 ARG A 687 -4.051 12.462 -8.465 1.00 11.43 H new ATOM 0 HD3 ARG A 687 -3.258 10.899 -8.463 1.00 11.43 H new ATOM 0 HE ARG A 687 -3.646 11.235 -11.119 1.00 31.43 H new ATOM 0 HH11 ARG A 687 -2.516 13.610 -8.736 1.00 20.15 H new ATOM 0 HH12 ARG A 687 -1.455 14.419 -9.895 1.00 20.15 H new ATOM 0 HH21 ARG A 687 -2.235 12.224 -12.546 1.00 42.41 H new ATOM 0 HH22 ARG A 687 -1.299 13.635 -12.044 1.00 42.41 H new ATOM 1581 N ALA A 688 -7.441 7.599 -6.707 1.00 55.02 N ATOM 1582 CA ALA A 688 -7.687 6.713 -5.590 1.00 61.21 C ATOM 1583 C ALA A 688 -6.648 5.627 -5.587 1.00 70.22 C ATOM 1584 O ALA A 688 -5.926 5.459 -6.562 1.00 52.35 O ATOM 1585 CB ALA A 688 -9.084 6.111 -5.701 1.00 2.54 C ATOM 0 H ALA A 688 -7.357 7.127 -7.607 1.00 55.02 H new ATOM 0 HA ALA A 688 -7.627 7.272 -4.656 1.00 61.21 H new ATOM 0 HB1 ALA A 688 -9.261 5.445 -4.856 1.00 2.54 H new ATOM 0 HB2 ALA A 688 -9.826 6.910 -5.696 1.00 2.54 H new ATOM 0 HB3 ALA A 688 -9.164 5.547 -6.630 1.00 2.54 H new ATOM 1591 N THR A 689 -6.553 4.913 -4.506 1.00 22.33 N ATOM 1592 CA THR A 689 -5.579 3.867 -4.373 1.00 61.25 C ATOM 1593 C THR A 689 -6.259 2.549 -4.045 1.00 64.43 C ATOM 1594 O THR A 689 -7.175 2.500 -3.209 1.00 5.21 O ATOM 1595 CB THR A 689 -4.551 4.219 -3.271 1.00 44.44 C ATOM 1596 OG1 THR A 689 -3.914 5.448 -3.603 1.00 14.14 O ATOM 1597 CG2 THR A 689 -3.494 3.136 -3.121 1.00 21.43 C ATOM 0 H THR A 689 -7.149 5.038 -3.688 1.00 22.33 H new ATOM 0 HA THR A 689 -5.054 3.766 -5.323 1.00 61.25 H new ATOM 0 HB THR A 689 -5.085 4.304 -2.325 1.00 44.44 H new ATOM 0 HG1 THR A 689 -4.553 6.185 -3.505 1.00 14.14 H new ATOM 0 HG21 THR A 689 -2.791 3.420 -2.338 1.00 21.43 H new ATOM 0 HG22 THR A 689 -3.973 2.194 -2.854 1.00 21.43 H new ATOM 0 HG23 THR A 689 -2.959 3.017 -4.063 1.00 21.43 H new ATOM 1603 N LEU A 690 -5.842 1.511 -4.723 1.00 32.04 N ATOM 1604 CA LEU A 690 -6.326 0.201 -4.487 1.00 22.14 C ATOM 1605 C LEU A 690 -5.100 -0.658 -4.251 1.00 21.04 C ATOM 1606 O LEU A 690 -4.269 -0.842 -5.146 1.00 51.23 O ATOM 1607 CB LEU A 690 -7.145 -0.288 -5.719 1.00 32.24 C ATOM 1608 CG LEU A 690 -7.979 -1.595 -5.600 1.00 73.43 C ATOM 1609 CD1 LEU A 690 -7.126 -2.818 -5.348 1.00 30.00 C ATOM 1610 CD2 LEU A 690 -9.050 -1.456 -4.530 1.00 31.33 C ATOM 0 H LEU A 690 -5.144 1.567 -5.465 1.00 32.04 H new ATOM 0 HA LEU A 690 -6.996 0.154 -3.628 1.00 22.14 H new ATOM 0 HB2 LEU A 690 -7.828 0.514 -5.999 1.00 32.24 H new ATOM 0 HB3 LEU A 690 -6.448 -0.417 -6.547 1.00 32.24 H new ATOM 0 HG LEU A 690 -8.461 -1.745 -6.566 1.00 73.43 H new ATOM 0 HD11 LEU A 690 -7.765 -3.698 -5.274 1.00 30.00 H new ATOM 0 HD12 LEU A 690 -6.423 -2.947 -6.171 1.00 30.00 H new ATOM 0 HD13 LEU A 690 -6.574 -2.691 -4.416 1.00 30.00 H new ATOM 0 HD21 LEU A 690 -9.621 -2.382 -4.464 1.00 31.33 H new ATOM 0 HD22 LEU A 690 -8.579 -1.251 -3.569 1.00 31.33 H new ATOM 0 HD23 LEU A 690 -9.719 -0.635 -4.789 1.00 31.33 H new ATOM 1618 N ILE A 691 -4.978 -1.175 -3.085 1.00 4.41 N ATOM 1619 CA ILE A 691 -3.827 -1.970 -2.760 1.00 62.44 C ATOM 1620 C ILE A 691 -4.229 -3.416 -2.833 1.00 61.21 C ATOM 1621 O ILE A 691 -5.212 -3.809 -2.243 1.00 4.04 O ATOM 1622 CB ILE A 691 -3.299 -1.645 -1.348 1.00 74.32 C ATOM 1623 CG1 ILE A 691 -3.010 -0.145 -1.227 1.00 62.24 C ATOM 1624 CG2 ILE A 691 -2.025 -2.442 -1.076 1.00 52.54 C ATOM 1625 CD1 ILE A 691 -2.632 0.302 0.172 1.00 50.12 C ATOM 0 H ILE A 691 -5.656 -1.069 -2.330 1.00 4.41 H new ATOM 0 HA ILE A 691 -3.026 -1.752 -3.466 1.00 62.44 H new ATOM 0 HB ILE A 691 -4.057 -1.919 -0.614 1.00 74.32 H new ATOM 0 HG12 ILE A 691 -2.202 0.115 -1.911 1.00 62.24 H new ATOM 0 HG13 ILE A 691 -3.891 0.411 -1.549 1.00 62.24 H new ATOM 0 HG21 ILE A 691 -1.656 -2.209 -0.077 1.00 52.54 H new ATOM 0 HG22 ILE A 691 -2.242 -3.508 -1.143 1.00 52.54 H new ATOM 0 HG23 ILE A 691 -1.267 -2.179 -1.813 1.00 52.54 H new ATOM 0 HD11 ILE A 691 -2.444 1.376 0.172 1.00 50.12 H new ATOM 0 HD12 ILE A 691 -3.448 0.076 0.859 1.00 50.12 H new ATOM 0 HD13 ILE A 691 -1.733 -0.224 0.492 1.00 50.12 H new ATOM 1632 N THR A 692 -3.508 -4.173 -3.587 1.00 54.14 N ATOM 1633 CA THR A 692 -3.803 -5.553 -3.794 1.00 5.22 C ATOM 1634 C THR A 692 -2.778 -6.396 -3.042 1.00 73.31 C ATOM 1635 O THR A 692 -1.578 -6.288 -3.283 1.00 62.22 O ATOM 1636 CB THR A 692 -3.717 -5.833 -5.282 1.00 65.13 C ATOM 1637 OG1 THR A 692 -4.533 -4.855 -5.968 1.00 40.13 O ATOM 1638 CG2 THR A 692 -4.215 -7.218 -5.619 1.00 31.43 C ATOM 0 H THR A 692 -2.681 -3.846 -4.087 1.00 54.14 H new ATOM 0 HA THR A 692 -4.800 -5.798 -3.428 1.00 5.22 H new ATOM 0 HB THR A 692 -2.674 -5.771 -5.593 1.00 65.13 H new ATOM 0 HG1 THR A 692 -4.492 -5.015 -6.934 1.00 40.13 H new ATOM 0 HG21 THR A 692 -4.138 -7.381 -6.694 1.00 31.43 H new ATOM 0 HG22 THR A 692 -3.611 -7.959 -5.095 1.00 31.43 H new ATOM 0 HG23 THR A 692 -5.256 -7.315 -5.311 1.00 31.43 H new ATOM 1644 N PHE A 693 -3.250 -7.200 -2.142 1.00 11.14 N ATOM 1645 CA PHE A 693 -2.403 -7.997 -1.297 1.00 24.23 C ATOM 1646 C PHE A 693 -2.333 -9.412 -1.803 1.00 11.33 C ATOM 1647 O PHE A 693 -3.359 -10.038 -2.068 1.00 41.31 O ATOM 1648 CB PHE A 693 -2.942 -7.984 0.123 1.00 11.25 C ATOM 1649 CG PHE A 693 -3.009 -6.602 0.742 1.00 11.21 C ATOM 1650 CD1 PHE A 693 -4.007 -5.715 0.385 1.00 11.23 C ATOM 1651 CD2 PHE A 693 -2.088 -6.205 1.692 1.00 5.43 C ATOM 1652 CE1 PHE A 693 -4.087 -4.479 0.954 1.00 51.44 C ATOM 1653 CE2 PHE A 693 -2.161 -4.954 2.266 1.00 22.15 C ATOM 1654 CZ PHE A 693 -3.165 -4.094 1.894 1.00 51.41 C ATOM 0 H PHE A 693 -4.247 -7.326 -1.967 1.00 11.14 H new ATOM 0 HA PHE A 693 -1.398 -7.574 -1.309 1.00 24.23 H new ATOM 0 HB2 PHE A 693 -3.940 -8.422 0.126 1.00 11.25 H new ATOM 0 HB3 PHE A 693 -2.313 -8.620 0.746 1.00 11.25 H new ATOM 0 HD1 PHE A 693 -4.736 -6.006 -0.357 1.00 11.23 H new ATOM 0 HD2 PHE A 693 -1.301 -6.883 1.989 1.00 5.43 H new ATOM 0 HE1 PHE A 693 -4.877 -3.802 0.664 1.00 51.44 H new ATOM 0 HE2 PHE A 693 -1.433 -4.652 3.004 1.00 22.15 H new ATOM 0 HZ PHE A 693 -3.229 -3.113 2.342 1.00 51.41 H new ATOM 1664 N LEU A 694 -1.141 -9.901 -1.928 1.00 53.45 N ATOM 1665 CA LEU A 694 -0.886 -11.219 -2.409 1.00 65.43 C ATOM 1666 C LEU A 694 -0.277 -12.042 -1.308 1.00 21.33 C ATOM 1667 O LEU A 694 0.424 -11.509 -0.426 1.00 35.32 O ATOM 1668 CB LEU A 694 0.078 -11.216 -3.617 1.00 52.40 C ATOM 1669 CG LEU A 694 -0.366 -10.509 -4.916 1.00 32.25 C ATOM 1670 CD1 LEU A 694 -1.687 -11.050 -5.422 1.00 2.33 C ATOM 1671 CD2 LEU A 694 -0.404 -8.998 -4.779 1.00 15.33 C ATOM 0 H LEU A 694 -0.296 -9.380 -1.692 1.00 53.45 H new ATOM 0 HA LEU A 694 -1.837 -11.643 -2.731 1.00 65.43 H new ATOM 0 HB2 LEU A 694 1.012 -10.757 -3.293 1.00 52.40 H new ATOM 0 HB3 LEU A 694 0.301 -12.254 -3.865 1.00 52.40 H new ATOM 0 HG LEU A 694 0.396 -10.735 -5.662 1.00 32.25 H new ATOM 0 HD11 LEU A 694 -1.967 -10.529 -6.337 1.00 2.33 H new ATOM 0 HD12 LEU A 694 -1.589 -12.116 -5.627 1.00 2.33 H new ATOM 0 HD13 LEU A 694 -2.457 -10.895 -4.666 1.00 2.33 H new ATOM 0 HD21 LEU A 694 -0.723 -8.555 -5.723 1.00 15.33 H new ATOM 0 HD22 LEU A 694 -1.106 -8.722 -3.993 1.00 15.33 H new ATOM 0 HD23 LEU A 694 0.590 -8.631 -4.523 1.00 15.33 H new ATOM 1679 N CYS A 695 -0.529 -13.306 -1.359 1.00 41.45 N ATOM 1680 CA CYS A 695 -0.014 -14.231 -0.400 1.00 4.03 C ATOM 1681 C CYS A 695 1.412 -14.593 -0.762 1.00 65.43 C ATOM 1682 O CYS A 695 1.676 -15.133 -1.849 1.00 74.21 O ATOM 1683 CB CYS A 695 -0.894 -15.489 -0.348 1.00 2.21 C ATOM 1684 SG CYS A 695 -0.294 -16.800 0.766 1.00 52.30 S ATOM 0 H CYS A 695 -1.109 -13.736 -2.080 1.00 41.45 H new ATOM 0 HA CYS A 695 -0.023 -13.769 0.587 1.00 4.03 H new ATOM 0 HB2 CYS A 695 -1.898 -15.200 -0.037 1.00 2.21 H new ATOM 0 HB3 CYS A 695 -0.977 -15.898 -1.355 1.00 2.21 H new ATOM 1689 N ASP A 696 2.327 -14.278 0.120 1.00 11.41 N ATOM 1690 CA ASP A 696 3.721 -14.593 -0.081 1.00 12.24 C ATOM 1691 C ASP A 696 4.256 -15.120 1.226 1.00 50.51 C ATOM 1692 O ASP A 696 3.878 -14.625 2.289 1.00 63.32 O ATOM 1693 CB ASP A 696 4.506 -13.352 -0.505 1.00 55.23 C ATOM 1694 CG ASP A 696 5.916 -13.674 -0.964 1.00 64.11 C ATOM 1695 OD1 ASP A 696 6.748 -14.056 -0.145 1.00 52.13 O ATOM 1696 OD2 ASP A 696 6.216 -13.525 -2.181 1.00 53.23 O ATOM 0 H ASP A 696 2.128 -13.797 0.997 1.00 11.41 H new ATOM 0 HA ASP A 696 3.827 -15.333 -0.874 1.00 12.24 H new ATOM 0 HB2 ASP A 696 3.973 -12.849 -1.312 1.00 55.23 H new ATOM 0 HB3 ASP A 696 4.552 -12.654 0.331 1.00 55.23 H new ATOM 1701 N ARG A 697 5.106 -16.114 1.168 1.00 40.51 N ATOM 1702 CA ARG A 697 5.589 -16.749 2.379 1.00 60.13 C ATOM 1703 C ARG A 697 6.776 -16.029 3.011 1.00 42.30 C ATOM 1704 O ARG A 697 7.037 -16.207 4.208 1.00 2.13 O ATOM 1705 CB ARG A 697 5.919 -18.218 2.147 1.00 63.24 C ATOM 1706 CG ARG A 697 4.733 -19.050 1.689 1.00 51.12 C ATOM 1707 CD ARG A 697 5.108 -20.512 1.563 1.00 61.30 C ATOM 1708 NE ARG A 697 5.521 -21.082 2.857 1.00 24.43 N ATOM 1709 CZ ARG A 697 6.251 -22.186 3.010 1.00 74.41 C ATOM 1710 NH1 ARG A 697 6.637 -22.897 1.946 1.00 42.25 N ATOM 1711 NH2 ARG A 697 6.587 -22.587 4.225 1.00 53.03 N ATOM 0 H ARG A 697 5.479 -16.503 0.302 1.00 40.51 H new ATOM 0 HA ARG A 697 4.767 -16.681 3.091 1.00 60.13 H new ATOM 0 HB2 ARG A 697 6.710 -18.289 1.401 1.00 63.24 H new ATOM 0 HB3 ARG A 697 6.313 -18.642 3.071 1.00 63.24 H new ATOM 0 HG2 ARG A 697 3.913 -18.942 2.399 1.00 51.12 H new ATOM 0 HG3 ARG A 697 4.374 -18.679 0.729 1.00 51.12 H new ATOM 0 HD2 ARG A 697 4.259 -21.073 1.173 1.00 61.30 H new ATOM 0 HD3 ARG A 697 5.919 -20.619 0.843 1.00 61.30 H new ATOM 0 HE ARG A 697 5.225 -20.593 3.702 1.00 24.43 H new ATOM 0 HH11 ARG A 697 6.373 -22.596 1.008 1.00 42.25 H new ATOM 0 HH12 ARG A 697 7.196 -23.741 2.072 1.00 42.25 H new ATOM 0 HH21 ARG A 697 6.287 -22.052 5.040 1.00 53.03 H new ATOM 0 HH22 ARG A 697 7.146 -23.432 4.347 1.00 53.03 H new ATOM 1723 N ASP A 698 7.489 -15.218 2.240 1.00 55.35 N ATOM 1724 CA ASP A 698 8.656 -14.508 2.771 1.00 54.04 C ATOM 1725 C ASP A 698 8.709 -13.089 2.294 1.00 24.01 C ATOM 1726 O ASP A 698 9.008 -12.806 1.123 1.00 45.52 O ATOM 1727 CB ASP A 698 9.996 -15.206 2.452 1.00 32.34 C ATOM 1728 CG ASP A 698 10.210 -16.504 3.187 1.00 75.35 C ATOM 1729 OD1 ASP A 698 10.728 -16.476 4.331 1.00 1.44 O ATOM 1730 OD2 ASP A 698 9.904 -17.578 2.641 1.00 32.43 O ATOM 0 H ASP A 698 7.287 -15.034 1.257 1.00 55.35 H new ATOM 0 HA ASP A 698 8.526 -14.521 3.853 1.00 54.04 H new ATOM 0 HB2 ASP A 698 10.047 -15.397 1.380 1.00 32.34 H new ATOM 0 HB3 ASP A 698 10.813 -14.526 2.694 1.00 32.34 H new ATOM 1735 N ALA A 699 8.475 -12.206 3.207 1.00 64.13 N ATOM 1736 CA ALA A 699 8.487 -10.788 2.972 1.00 65.32 C ATOM 1737 C ALA A 699 8.486 -10.118 4.313 1.00 44.44 C ATOM 1738 O ALA A 699 9.378 -9.340 4.644 1.00 23.45 O ATOM 1739 CB ALA A 699 7.260 -10.359 2.164 1.00 70.44 C ATOM 0 H ALA A 699 8.262 -12.454 4.173 1.00 64.13 H new ATOM 0 HA ALA A 699 9.368 -10.506 2.396 1.00 65.32 H new ATOM 0 HB1 ALA A 699 7.291 -9.282 1.999 1.00 70.44 H new ATOM 0 HB2 ALA A 699 7.259 -10.874 1.203 1.00 70.44 H new ATOM 0 HB3 ALA A 699 6.354 -10.615 2.714 1.00 70.44 H new ATOM 1745 N GLY A 700 7.482 -10.435 5.085 1.00 12.13 N ATOM 1746 CA GLY A 700 7.375 -9.940 6.408 1.00 20.35 C ATOM 1747 C GLY A 700 6.080 -9.263 6.574 1.00 74.02 C ATOM 1748 O GLY A 700 5.024 -9.869 6.349 1.00 35.15 O ATOM 0 H GLY A 700 6.717 -11.048 4.802 1.00 12.13 H new ATOM 0 HA2 GLY A 700 7.464 -10.758 7.122 1.00 20.35 H new ATOM 0 HA3 GLY A 700 8.190 -9.246 6.615 1.00 20.35 H new ATOM 1752 N VAL A 701 6.131 -8.015 6.930 1.00 72.41 N ATOM 1753 CA VAL A 701 4.944 -7.222 7.042 1.00 0.40 C ATOM 1754 C VAL A 701 4.413 -6.964 5.633 1.00 40.31 C ATOM 1755 O VAL A 701 3.200 -6.841 5.398 1.00 50.13 O ATOM 1756 CB VAL A 701 5.219 -5.905 7.815 1.00 64.44 C ATOM 1757 CG1 VAL A 701 6.160 -4.957 7.075 1.00 13.53 C ATOM 1758 CG2 VAL A 701 3.938 -5.232 8.257 1.00 71.23 C ATOM 0 H VAL A 701 6.994 -7.518 7.151 1.00 72.41 H new ATOM 0 HA VAL A 701 4.188 -7.755 7.619 1.00 0.40 H new ATOM 0 HB VAL A 701 5.754 -6.190 8.721 1.00 64.44 H new ATOM 0 HG11 VAL A 701 6.310 -4.056 7.670 1.00 13.53 H new ATOM 0 HG12 VAL A 701 7.119 -5.449 6.913 1.00 13.53 H new ATOM 0 HG13 VAL A 701 5.723 -4.688 6.113 1.00 13.53 H new ATOM 0 HG21 VAL A 701 4.176 -4.314 8.794 1.00 71.23 H new ATOM 0 HG22 VAL A 701 3.332 -4.994 7.383 1.00 71.23 H new ATOM 0 HG23 VAL A 701 3.382 -5.902 8.913 1.00 71.23 H new ATOM 1764 N GLY A 702 5.332 -6.935 4.703 1.00 53.43 N ATOM 1765 CA GLY A 702 5.000 -6.844 3.348 1.00 74.43 C ATOM 1766 C GLY A 702 5.662 -5.706 2.651 1.00 0.42 C ATOM 1767 O GLY A 702 5.946 -4.667 3.242 1.00 32.20 O ATOM 0 H GLY A 702 6.334 -6.975 4.890 1.00 53.43 H new ATOM 0 HA2 GLY A 702 5.275 -7.774 2.851 1.00 74.43 H new ATOM 0 HA3 GLY A 702 3.919 -6.739 3.253 1.00 74.43 H new ATOM 1771 N PHE A 703 5.931 -5.923 1.411 1.00 64.44 N ATOM 1772 CA PHE A 703 6.539 -4.933 0.546 1.00 15.23 C ATOM 1773 C PHE A 703 5.596 -4.599 -0.608 1.00 44.32 C ATOM 1774 O PHE A 703 5.391 -5.434 -1.503 1.00 53.12 O ATOM 1775 CB PHE A 703 7.872 -5.438 -0.040 1.00 1.51 C ATOM 1776 CG PHE A 703 8.926 -5.788 0.975 1.00 11.53 C ATOM 1777 CD1 PHE A 703 9.637 -4.793 1.621 1.00 35.54 C ATOM 1778 CD2 PHE A 703 9.216 -7.110 1.265 1.00 43.11 C ATOM 1779 CE1 PHE A 703 10.616 -5.109 2.542 1.00 70.34 C ATOM 1780 CE2 PHE A 703 10.194 -7.432 2.184 1.00 13.21 C ATOM 1781 CZ PHE A 703 10.895 -6.430 2.825 1.00 73.21 C ATOM 0 H PHE A 703 5.736 -6.809 0.945 1.00 64.44 H new ATOM 0 HA PHE A 703 6.732 -4.046 1.149 1.00 15.23 H new ATOM 0 HB2 PHE A 703 7.672 -6.318 -0.651 1.00 1.51 H new ATOM 0 HB3 PHE A 703 8.271 -4.673 -0.706 1.00 1.51 H new ATOM 0 HD1 PHE A 703 9.424 -3.757 1.403 1.00 35.54 H new ATOM 0 HD2 PHE A 703 8.671 -7.898 0.767 1.00 43.11 H new ATOM 0 HE1 PHE A 703 11.163 -4.322 3.041 1.00 70.34 H new ATOM 0 HE2 PHE A 703 10.411 -8.467 2.402 1.00 13.21 H new ATOM 0 HZ PHE A 703 11.660 -6.680 3.546 1.00 73.21 H new ATOM 1791 N PRO A 704 4.962 -3.416 -0.582 1.00 11.21 N ATOM 1792 CA PRO A 704 4.122 -2.959 -1.683 1.00 53.43 C ATOM 1793 C PRO A 704 4.956 -2.500 -2.880 1.00 55.42 C ATOM 1794 O PRO A 704 6.049 -1.932 -2.728 1.00 14.11 O ATOM 1795 CB PRO A 704 3.363 -1.770 -1.094 1.00 24.43 C ATOM 1796 CG PRO A 704 4.241 -1.261 -0.011 1.00 23.30 C ATOM 1797 CD PRO A 704 4.974 -2.457 0.536 1.00 61.42 C ATOM 0 HA PRO A 704 3.473 -3.753 -2.054 1.00 53.43 H new ATOM 0 HB2 PRO A 704 3.180 -1.004 -1.848 1.00 24.43 H new ATOM 0 HB3 PRO A 704 2.391 -2.074 -0.706 1.00 24.43 H new ATOM 0 HG2 PRO A 704 4.941 -0.518 -0.394 1.00 23.30 H new ATOM 0 HG3 PRO A 704 3.655 -0.774 0.768 1.00 23.30 H new ATOM 0 HD2 PRO A 704 5.991 -2.202 0.833 1.00 61.42 H new ATOM 0 HD3 PRO A 704 4.477 -2.863 1.417 1.00 61.42 H new ATOM 1805 N GLU A 705 4.458 -2.768 -4.049 1.00 1.03 N ATOM 1806 CA GLU A 705 5.089 -2.378 -5.266 1.00 51.53 C ATOM 1807 C GLU A 705 4.069 -1.706 -6.165 1.00 44.31 C ATOM 1808 O GLU A 705 2.952 -2.191 -6.291 1.00 3.22 O ATOM 1809 CB GLU A 705 5.634 -3.623 -5.966 1.00 32.23 C ATOM 1810 CG GLU A 705 6.388 -3.328 -7.236 1.00 54.11 C ATOM 1811 CD GLU A 705 7.601 -2.485 -6.969 1.00 54.22 C ATOM 1812 OE1 GLU A 705 8.679 -3.051 -6.694 1.00 13.44 O ATOM 1813 OE2 GLU A 705 7.497 -1.254 -7.008 1.00 21.42 O ATOM 0 H GLU A 705 3.583 -3.275 -4.182 1.00 1.03 H new ATOM 0 HA GLU A 705 5.904 -1.685 -5.055 1.00 51.53 H new ATOM 0 HB2 GLU A 705 6.292 -4.155 -5.279 1.00 32.23 H new ATOM 0 HB3 GLU A 705 4.804 -4.292 -6.195 1.00 32.23 H new ATOM 0 HG2 GLU A 705 6.690 -4.263 -7.708 1.00 54.11 H new ATOM 0 HG3 GLU A 705 5.733 -2.813 -7.939 1.00 54.11 H new ATOM 1820 N TYR A 706 4.435 -0.611 -6.773 1.00 21.31 N ATOM 1821 CA TYR A 706 3.554 0.062 -7.698 1.00 25.22 C ATOM 1822 C TYR A 706 3.466 -0.717 -8.994 1.00 42.42 C ATOM 1823 O TYR A 706 4.490 -1.089 -9.567 1.00 23.11 O ATOM 1824 CB TYR A 706 3.990 1.515 -7.942 1.00 55.22 C ATOM 1825 CG TYR A 706 3.260 2.158 -9.068 1.00 1.03 C ATOM 1826 CD1 TYR A 706 1.913 2.441 -8.974 1.00 14.10 C ATOM 1827 CD2 TYR A 706 3.924 2.473 -10.241 1.00 33.34 C ATOM 1828 CE1 TYR A 706 1.246 3.021 -10.011 1.00 3.44 C ATOM 1829 CE2 TYR A 706 3.272 3.055 -11.285 1.00 53.52 C ATOM 1830 CZ TYR A 706 1.937 3.330 -11.180 1.00 1.31 C ATOM 1831 OH TYR A 706 1.289 3.908 -12.239 1.00 51.53 O ATOM 0 H TYR A 706 5.341 -0.161 -6.646 1.00 21.31 H new ATOM 0 HA TYR A 706 2.560 0.103 -7.253 1.00 25.22 H new ATOM 0 HB2 TYR A 706 3.829 2.095 -7.033 1.00 55.22 H new ATOM 0 HB3 TYR A 706 5.060 1.538 -8.149 1.00 55.22 H new ATOM 0 HD1 TYR A 706 1.380 2.200 -8.066 1.00 14.10 H new ATOM 0 HD2 TYR A 706 4.978 2.253 -10.330 1.00 33.34 H new ATOM 0 HE1 TYR A 706 0.192 3.239 -9.927 1.00 3.44 H new ATOM 0 HE2 TYR A 706 3.807 3.298 -12.191 1.00 53.52 H new ATOM 0 HH TYR A 706 1.924 4.055 -12.971 1.00 51.53 H new ATOM 1841 N GLN A 707 2.253 -0.995 -9.431 1.00 33.32 N ATOM 1842 CA GLN A 707 2.050 -1.746 -10.648 1.00 22.22 C ATOM 1843 C GLN A 707 1.557 -0.881 -11.787 1.00 71.40 C ATOM 1844 O GLN A 707 2.333 -0.507 -12.662 1.00 41.12 O ATOM 1845 CB GLN A 707 1.111 -2.926 -10.419 1.00 10.42 C ATOM 1846 CG GLN A 707 1.665 -3.970 -9.478 1.00 74.31 C ATOM 1847 CD GLN A 707 2.909 -4.654 -10.025 1.00 30.23 C ATOM 1848 OE1 GLN A 707 2.817 -5.671 -10.697 1.00 24.44 O ATOM 1849 NE2 GLN A 707 4.072 -4.101 -9.755 1.00 41.21 N ATOM 0 H GLN A 707 1.395 -0.711 -8.959 1.00 33.32 H new ATOM 0 HA GLN A 707 3.026 -2.134 -10.940 1.00 22.22 H new ATOM 0 HB2 GLN A 707 0.167 -2.555 -10.021 1.00 10.42 H new ATOM 0 HB3 GLN A 707 0.890 -3.395 -11.378 1.00 10.42 H new ATOM 0 HG2 GLN A 707 1.903 -3.502 -8.523 1.00 74.31 H new ATOM 0 HG3 GLN A 707 0.899 -4.720 -9.283 1.00 74.31 H new ATOM 0 HE21 GLN A 707 4.114 -3.252 -9.191 1.00 41.21 H new ATOM 0 HE22 GLN A 707 4.931 -4.521 -10.110 1.00 41.21 H new ATOM 1857 N GLU A 708 0.288 -0.524 -11.766 1.00 22.52 N ATOM 1858 CA GLU A 708 -0.267 0.190 -12.887 1.00 74.43 C ATOM 1859 C GLU A 708 -1.385 1.142 -12.512 1.00 43.33 C ATOM 1860 O GLU A 708 -2.433 0.739 -11.993 1.00 31.41 O ATOM 1861 CB GLU A 708 -0.751 -0.809 -13.944 1.00 55.43 C ATOM 1862 CG GLU A 708 -1.785 -1.810 -13.435 1.00 44.05 C ATOM 1863 CD GLU A 708 -2.216 -2.791 -14.478 1.00 43.25 C ATOM 1864 OE1 GLU A 708 -2.869 -2.387 -15.455 1.00 21.02 O ATOM 1865 OE2 GLU A 708 -1.900 -3.982 -14.347 1.00 3.11 O ATOM 0 H GLU A 708 -0.361 -0.713 -11.002 1.00 22.52 H new ATOM 0 HA GLU A 708 0.533 0.812 -13.289 1.00 74.43 H new ATOM 0 HB2 GLU A 708 -1.179 -0.256 -14.781 1.00 55.43 H new ATOM 0 HB3 GLU A 708 0.109 -1.357 -14.330 1.00 55.43 H new ATOM 0 HG2 GLU A 708 -1.370 -2.352 -12.585 1.00 44.05 H new ATOM 0 HG3 GLU A 708 -2.658 -1.268 -13.072 1.00 44.05 H new ATOM 1872 N GLU A 709 -1.127 2.400 -12.675 1.00 21.22 N ATOM 1873 CA GLU A 709 -2.177 3.378 -12.602 1.00 12.51 C ATOM 1874 C GLU A 709 -2.719 3.457 -14.020 1.00 41.30 C ATOM 1875 O GLU A 709 -1.930 3.406 -14.986 1.00 33.45 O ATOM 1876 CB GLU A 709 -1.645 4.736 -12.120 1.00 51.44 C ATOM 1877 CG GLU A 709 -2.696 5.712 -11.567 1.00 21.24 C ATOM 1878 CD GLU A 709 -3.768 6.126 -12.525 1.00 53.24 C ATOM 1879 OE1 GLU A 709 -3.556 7.103 -13.278 1.00 54.31 O ATOM 1880 OE2 GLU A 709 -4.837 5.496 -12.530 1.00 3.10 O ATOM 0 H GLU A 709 -0.199 2.780 -12.860 1.00 21.22 H new ATOM 0 HA GLU A 709 -2.950 3.104 -11.884 1.00 12.51 H new ATOM 0 HB2 GLU A 709 -0.900 4.558 -11.345 1.00 51.44 H new ATOM 0 HB3 GLU A 709 -1.131 5.219 -12.951 1.00 51.44 H new ATOM 0 HG2 GLU A 709 -3.169 5.254 -10.698 1.00 21.24 H new ATOM 0 HG3 GLU A 709 -2.183 6.607 -11.216 1.00 21.24 H new ATOM 1887 N ASP A 710 -4.000 3.586 -14.160 1.00 14.51 N ATOM 1888 CA ASP A 710 -4.649 3.586 -15.457 1.00 21.41 C ATOM 1889 C ASP A 710 -6.115 3.848 -15.264 1.00 13.52 C ATOM 1890 O ASP A 710 -6.677 4.788 -15.802 1.00 23.35 O ATOM 1891 CB ASP A 710 -4.472 2.213 -16.118 1.00 65.52 C ATOM 1892 CG ASP A 710 -5.100 2.127 -17.474 1.00 5.33 C ATOM 1893 OD1 ASP A 710 -4.431 2.446 -18.456 1.00 60.02 O ATOM 1894 OD2 ASP A 710 -6.272 1.701 -17.577 1.00 33.12 O ATOM 0 H ASP A 710 -4.643 3.696 -13.376 1.00 14.51 H new ATOM 0 HA ASP A 710 -4.207 4.356 -16.090 1.00 21.41 H new ATOM 0 HB2 ASP A 710 -3.408 1.992 -16.203 1.00 65.52 H new ATOM 0 HB3 ASP A 710 -4.906 1.448 -15.474 1.00 65.52 H new ATOM 1899 N ASN A 711 -6.705 3.027 -14.441 1.00 52.33 N ATOM 1900 CA ASN A 711 -8.143 3.069 -14.137 1.00 71.50 C ATOM 1901 C ASN A 711 -8.495 4.109 -13.043 1.00 71.52 C ATOM 1902 O ASN A 711 -9.438 3.906 -12.283 1.00 75.14 O ATOM 1903 CB ASN A 711 -8.625 1.653 -13.714 1.00 61.24 C ATOM 1904 CG ASN A 711 -8.046 1.102 -12.383 1.00 63.43 C ATOM 1905 OD1 ASN A 711 -6.843 1.497 -11.996 1.00 12.11 O flip ATOM 1906 ND2 ASN A 711 -8.697 0.326 -11.711 1.00 44.41 N flip ATOM 0 H ASN A 711 -6.207 2.289 -13.944 1.00 52.33 H new ATOM 0 HA ASN A 711 -8.661 3.384 -15.043 1.00 71.50 H new ATOM 0 HB2 ASN A 711 -9.712 1.671 -13.634 1.00 61.24 H new ATOM 0 HB3 ASN A 711 -8.376 0.953 -14.512 1.00 61.24 H new ATOM 0 HD21 ASN A 711 -9.622 0.032 -12.024 1.00 44.41 H new ATOM 0 HD22 ASN A 711 -8.318 -0.031 -10.834 1.00 44.41 H new ATOM 1912 N SER A 712 -7.740 5.225 -13.004 1.00 30.21 N ATOM 1913 CA SER A 712 -7.899 6.371 -12.045 1.00 34.23 C ATOM 1914 C SER A 712 -7.544 5.987 -10.610 1.00 72.41 C ATOM 1915 O SER A 712 -7.607 6.797 -9.677 1.00 62.43 O ATOM 1916 CB SER A 712 -9.285 7.087 -12.135 1.00 72.40 C ATOM 1917 OG SER A 712 -10.389 6.255 -11.762 1.00 40.01 O ATOM 0 H SER A 712 -6.971 5.373 -13.657 1.00 30.21 H new ATOM 0 HA SER A 712 -7.168 7.111 -12.370 1.00 34.23 H new ATOM 0 HB2 SER A 712 -9.272 7.967 -11.492 1.00 72.40 H new ATOM 0 HB3 SER A 712 -9.436 7.440 -13.155 1.00 72.40 H new ATOM 0 HG SER A 712 -10.083 5.329 -11.668 1.00 40.01 H new ATOM 1923 N THR A 713 -7.172 4.768 -10.445 1.00 72.22 N ATOM 1924 CA THR A 713 -6.862 4.235 -9.184 1.00 2.41 C ATOM 1925 C THR A 713 -5.492 3.551 -9.240 1.00 30.24 C ATOM 1926 O THR A 713 -5.228 2.736 -10.127 1.00 54.13 O ATOM 1927 CB THR A 713 -7.971 3.247 -8.767 1.00 65.42 C ATOM 1928 OG1 THR A 713 -9.236 3.936 -8.784 1.00 64.03 O ATOM 1929 CG2 THR A 713 -7.732 2.702 -7.381 1.00 25.41 C ATOM 0 H THR A 713 -7.075 4.102 -11.211 1.00 72.22 H new ATOM 0 HA THR A 713 -6.811 5.028 -8.438 1.00 2.41 H new ATOM 0 HB THR A 713 -7.970 2.413 -9.468 1.00 65.42 H new ATOM 0 HG1 THR A 713 -9.949 3.317 -8.522 1.00 64.03 H new ATOM 0 HG21 THR A 713 -8.532 2.009 -7.119 1.00 25.41 H new ATOM 0 HG22 THR A 713 -6.776 2.179 -7.356 1.00 25.41 H new ATOM 0 HG23 THR A 713 -7.715 3.524 -6.665 1.00 25.41 H new ATOM 1935 N TYR A 714 -4.637 3.910 -8.324 1.00 72.23 N ATOM 1936 CA TYR A 714 -3.315 3.354 -8.244 1.00 40.40 C ATOM 1937 C TYR A 714 -3.376 1.977 -7.639 1.00 45.24 C ATOM 1938 O TYR A 714 -3.826 1.814 -6.513 1.00 3.53 O ATOM 1939 CB TYR A 714 -2.391 4.258 -7.403 1.00 13.13 C ATOM 1940 CG TYR A 714 -2.056 5.590 -8.041 1.00 32.24 C ATOM 1941 CD1 TYR A 714 -2.991 6.617 -8.116 1.00 12.30 C ATOM 1942 CD2 TYR A 714 -0.793 5.817 -8.576 1.00 62.13 C ATOM 1943 CE1 TYR A 714 -2.676 7.824 -8.711 1.00 62.51 C ATOM 1944 CE2 TYR A 714 -0.471 7.021 -9.166 1.00 52.21 C ATOM 1945 CZ TYR A 714 -1.414 8.021 -9.232 1.00 3.03 C ATOM 1946 OH TYR A 714 -1.095 9.227 -9.838 1.00 42.21 O ATOM 0 H TYR A 714 -4.840 4.604 -7.604 1.00 72.23 H new ATOM 0 HA TYR A 714 -2.906 3.288 -9.252 1.00 40.40 H new ATOM 0 HB2 TYR A 714 -2.865 4.442 -6.439 1.00 13.13 H new ATOM 0 HB3 TYR A 714 -1.463 3.722 -7.205 1.00 13.13 H new ATOM 0 HD1 TYR A 714 -3.978 6.469 -7.703 1.00 12.30 H new ATOM 0 HD2 TYR A 714 -0.050 5.035 -8.529 1.00 62.13 H new ATOM 0 HE1 TYR A 714 -3.415 8.610 -8.768 1.00 62.51 H new ATOM 0 HE2 TYR A 714 0.516 7.178 -9.574 1.00 52.21 H new ATOM 0 HH TYR A 714 -0.445 9.709 -9.285 1.00 42.21 H new ATOM 1956 N ASN A 715 -2.941 0.998 -8.382 1.00 2.15 N ATOM 1957 CA ASN A 715 -2.898 -0.364 -7.888 1.00 43.01 C ATOM 1958 C ASN A 715 -1.509 -0.744 -7.478 1.00 61.21 C ATOM 1959 O ASN A 715 -0.534 -0.587 -8.247 1.00 21.00 O ATOM 1960 CB ASN A 715 -3.418 -1.378 -8.912 1.00 11.34 C ATOM 1961 CG ASN A 715 -4.943 -1.513 -8.968 1.00 31.44 C ATOM 1962 OD1 ASN A 715 -5.488 -2.462 -8.190 1.00 62.51 O flip ATOM 1963 ND2 ASN A 715 -5.632 -0.801 -9.720 1.00 62.14 N flip ATOM 0 H ASN A 715 -2.608 1.112 -9.339 1.00 2.15 H new ATOM 0 HA ASN A 715 -3.557 -0.392 -7.020 1.00 43.01 H new ATOM 0 HB2 ASN A 715 -3.056 -1.093 -9.900 1.00 11.34 H new ATOM 0 HB3 ASN A 715 -2.989 -2.354 -8.685 1.00 11.34 H new ATOM 0 HD21 ASN A 715 -5.186 -0.089 -10.298 1.00 62.14 H new ATOM 0 HD22 ASN A 715 -6.643 -0.929 -9.759 1.00 62.14 H new ATOM 1969 N PHE A 716 -1.412 -1.221 -6.275 1.00 40.33 N ATOM 1970 CA PHE A 716 -0.174 -1.671 -5.716 1.00 2.24 C ATOM 1971 C PHE A 716 -0.223 -3.147 -5.462 1.00 34.15 C ATOM 1972 O PHE A 716 -1.274 -3.693 -5.130 1.00 14.32 O ATOM 1973 CB PHE A 716 0.150 -0.929 -4.412 1.00 54.33 C ATOM 1974 CG PHE A 716 0.451 0.522 -4.598 1.00 33.44 C ATOM 1975 CD1 PHE A 716 -0.561 1.461 -4.655 1.00 72.04 C ATOM 1976 CD2 PHE A 716 1.758 0.947 -4.726 1.00 0.11 C ATOM 1977 CE1 PHE A 716 -0.270 2.794 -4.836 1.00 43.03 C ATOM 1978 CE2 PHE A 716 2.053 2.274 -4.909 1.00 32.32 C ATOM 1979 CZ PHE A 716 1.038 3.198 -4.964 1.00 62.31 C ATOM 0 H PHE A 716 -2.207 -1.310 -5.642 1.00 40.33 H new ATOM 0 HA PHE A 716 0.614 -1.456 -6.437 1.00 2.24 H new ATOM 0 HB2 PHE A 716 -0.694 -1.030 -3.729 1.00 54.33 H new ATOM 0 HB3 PHE A 716 1.005 -1.409 -3.936 1.00 54.33 H new ATOM 0 HD1 PHE A 716 -1.589 1.146 -4.557 1.00 72.04 H new ATOM 0 HD2 PHE A 716 2.560 0.225 -4.681 1.00 0.11 H new ATOM 0 HE1 PHE A 716 -1.067 3.521 -4.877 1.00 43.03 H new ATOM 0 HE2 PHE A 716 3.080 2.591 -5.010 1.00 32.32 H new ATOM 0 HZ PHE A 716 1.268 4.243 -5.108 1.00 62.31 H new ATOM 1989 N ARG A 717 0.899 -3.777 -5.627 1.00 22.13 N ATOM 1990 CA ARG A 717 1.053 -5.185 -5.395 1.00 73.32 C ATOM 1991 C ARG A 717 1.780 -5.346 -4.082 1.00 33.11 C ATOM 1992 O ARG A 717 2.908 -4.914 -3.949 1.00 42.20 O ATOM 1993 CB ARG A 717 1.891 -5.775 -6.543 1.00 51.43 C ATOM 1994 CG ARG A 717 2.190 -7.248 -6.430 1.00 44.03 C ATOM 1995 CD ARG A 717 2.965 -7.763 -7.638 1.00 0.31 C ATOM 1996 NE ARG A 717 4.328 -7.198 -7.731 1.00 75.12 N ATOM 1997 CZ ARG A 717 5.218 -7.515 -8.696 1.00 14.45 C ATOM 1998 NH1 ARG A 717 4.878 -8.350 -9.669 1.00 25.31 N ATOM 1999 NH2 ARG A 717 6.445 -7.000 -8.679 1.00 11.12 N ATOM 0 H ARG A 717 1.756 -3.317 -5.934 1.00 22.13 H new ATOM 0 HA ARG A 717 0.092 -5.698 -5.356 1.00 73.32 H new ATOM 0 HB2 ARG A 717 1.366 -5.598 -7.482 1.00 51.43 H new ATOM 0 HB3 ARG A 717 2.835 -5.232 -6.598 1.00 51.43 H new ATOM 0 HG2 ARG A 717 2.765 -7.434 -5.523 1.00 44.03 H new ATOM 0 HG3 ARG A 717 1.256 -7.802 -6.334 1.00 44.03 H new ATOM 0 HD2 ARG A 717 3.031 -8.850 -7.585 1.00 0.31 H new ATOM 0 HD3 ARG A 717 2.414 -7.521 -8.547 1.00 0.31 H new ATOM 0 HE ARG A 717 4.615 -6.525 -7.020 1.00 75.12 H new ATOM 0 HH11 ARG A 717 3.942 -8.755 -9.690 1.00 25.31 H new ATOM 0 HH12 ARG A 717 5.553 -8.587 -10.396 1.00 25.31 H new ATOM 0 HH21 ARG A 717 6.719 -6.361 -7.933 1.00 11.12 H new ATOM 0 HH22 ARG A 717 7.111 -7.245 -9.412 1.00 11.12 H new ATOM 2011 N TRP A 718 1.145 -5.950 -3.131 1.00 60.50 N ATOM 2012 CA TRP A 718 1.708 -6.076 -1.813 1.00 30.32 C ATOM 2013 C TRP A 718 1.885 -7.551 -1.485 1.00 52.15 C ATOM 2014 O TRP A 718 0.918 -8.286 -1.402 1.00 14.54 O ATOM 2015 CB TRP A 718 0.728 -5.431 -0.810 1.00 31.33 C ATOM 2016 CG TRP A 718 1.231 -5.242 0.598 1.00 61.42 C ATOM 2017 CD1 TRP A 718 1.741 -6.185 1.437 1.00 72.24 C ATOM 2018 CD2 TRP A 718 1.203 -4.024 1.345 1.00 44.41 C ATOM 2019 NE1 TRP A 718 2.057 -5.617 2.646 1.00 62.14 N ATOM 2020 CE2 TRP A 718 1.735 -4.298 2.613 1.00 31.23 C ATOM 2021 CE3 TRP A 718 0.787 -2.723 1.060 1.00 5.44 C ATOM 2022 CZ2 TRP A 718 1.863 -3.330 3.587 1.00 70.13 C ATOM 2023 CZ3 TRP A 718 0.913 -1.761 2.035 1.00 22.04 C ATOM 2024 CH2 TRP A 718 1.447 -2.071 3.279 1.00 63.34 C ATOM 0 H TRP A 718 0.222 -6.372 -3.239 1.00 60.50 H new ATOM 0 HA TRP A 718 2.678 -5.581 -1.759 1.00 30.32 H new ATOM 0 HB2 TRP A 718 0.433 -4.457 -1.200 1.00 31.33 H new ATOM 0 HB3 TRP A 718 -0.172 -6.044 -0.771 1.00 31.33 H new ATOM 0 HD1 TRP A 718 1.877 -7.227 1.188 1.00 72.24 H new ATOM 0 HE1 TRP A 718 2.468 -6.107 3.441 1.00 62.14 H new ATOM 0 HE3 TRP A 718 0.374 -2.476 0.093 1.00 5.44 H new ATOM 0 HZ2 TRP A 718 2.277 -3.562 4.557 1.00 70.13 H new ATOM 0 HZ3 TRP A 718 0.592 -0.750 1.830 1.00 22.04 H new ATOM 0 HH2 TRP A 718 1.535 -1.292 4.022 1.00 63.34 H new ATOM 2035 N TYR A 719 3.107 -7.978 -1.324 1.00 0.21 N ATOM 2036 CA TYR A 719 3.365 -9.346 -0.918 1.00 74.30 C ATOM 2037 C TYR A 719 3.491 -9.398 0.589 1.00 23.25 C ATOM 2038 O TYR A 719 4.422 -8.815 1.152 1.00 45.23 O ATOM 2039 CB TYR A 719 4.633 -9.906 -1.563 1.00 41.03 C ATOM 2040 CG TYR A 719 4.551 -10.108 -3.057 1.00 15.14 C ATOM 2041 CD1 TYR A 719 3.816 -11.162 -3.588 1.00 64.33 C ATOM 2042 CD2 TYR A 719 5.214 -9.265 -3.936 1.00 72.40 C ATOM 2043 CE1 TYR A 719 3.743 -11.369 -4.946 1.00 4.42 C ATOM 2044 CE2 TYR A 719 5.148 -9.468 -5.297 1.00 21.50 C ATOM 2045 CZ TYR A 719 4.410 -10.525 -5.796 1.00 31.41 C ATOM 2046 OH TYR A 719 4.345 -10.737 -7.153 1.00 1.42 O ATOM 0 H TYR A 719 3.941 -7.408 -1.465 1.00 0.21 H new ATOM 0 HA TYR A 719 2.530 -9.962 -1.252 1.00 74.30 H new ATOM 0 HB2 TYR A 719 5.461 -9.231 -1.347 1.00 41.03 H new ATOM 0 HB3 TYR A 719 4.870 -10.861 -1.094 1.00 41.03 H new ATOM 0 HD1 TYR A 719 3.292 -11.831 -2.921 1.00 64.33 H new ATOM 0 HD2 TYR A 719 5.790 -8.438 -3.548 1.00 72.40 H new ATOM 0 HE1 TYR A 719 3.164 -12.191 -5.340 1.00 4.42 H new ATOM 0 HE2 TYR A 719 5.670 -8.805 -5.971 1.00 21.50 H new ATOM 0 HH TYR A 719 4.870 -10.052 -7.617 1.00 1.42 H new ATOM 2056 N THR A 720 2.556 -10.045 1.243 1.00 3.25 N ATOM 2057 CA THR A 720 2.565 -10.122 2.682 1.00 34.53 C ATOM 2058 C THR A 720 2.134 -11.500 3.174 1.00 74.22 C ATOM 2059 O THR A 720 1.247 -12.134 2.586 1.00 44.24 O ATOM 2060 CB THR A 720 1.693 -9.005 3.340 1.00 62.54 C ATOM 2061 OG1 THR A 720 1.750 -9.098 4.769 1.00 53.50 O ATOM 2062 CG2 THR A 720 0.242 -9.079 2.886 1.00 71.33 C ATOM 0 H THR A 720 1.776 -10.528 0.797 1.00 3.25 H new ATOM 0 HA THR A 720 3.597 -9.957 2.992 1.00 34.53 H new ATOM 0 HB THR A 720 2.104 -8.048 3.019 1.00 62.54 H new ATOM 0 HG1 THR A 720 2.253 -8.337 5.127 1.00 53.50 H new ATOM 0 HG21 THR A 720 -0.330 -8.285 3.366 1.00 71.33 H new ATOM 0 HG22 THR A 720 0.193 -8.958 1.804 1.00 71.33 H new ATOM 0 HG23 THR A 720 -0.177 -10.047 3.162 1.00 71.33 H new ATOM 2068 N SER A 721 2.774 -11.968 4.229 1.00 31.25 N ATOM 2069 CA SER A 721 2.430 -13.230 4.844 1.00 33.42 C ATOM 2070 C SER A 721 1.049 -13.136 5.515 1.00 11.32 C ATOM 2071 O SER A 721 0.356 -14.142 5.704 1.00 50.35 O ATOM 2072 CB SER A 721 3.514 -13.617 5.848 1.00 34.04 C ATOM 2073 OG SER A 721 3.744 -12.555 6.766 1.00 24.33 O ATOM 0 H SER A 721 3.547 -11.481 4.682 1.00 31.25 H new ATOM 0 HA SER A 721 2.373 -14.007 4.082 1.00 33.42 H new ATOM 0 HB2 SER A 721 3.214 -14.514 6.389 1.00 34.04 H new ATOM 0 HB3 SER A 721 4.438 -13.857 5.321 1.00 34.04 H new ATOM 0 HG SER A 721 4.440 -12.819 7.404 1.00 24.33 H new ATOM 2079 N TYR A 722 0.649 -11.910 5.857 1.00 74.33 N ATOM 2080 CA TYR A 722 -0.617 -11.653 6.501 1.00 21.32 C ATOM 2081 C TYR A 722 -1.794 -11.819 5.554 1.00 62.05 C ATOM 2082 O TYR A 722 -2.938 -11.833 5.993 1.00 22.44 O ATOM 2083 CB TYR A 722 -0.635 -10.271 7.134 1.00 44.34 C ATOM 2084 CG TYR A 722 0.349 -10.112 8.276 1.00 25.23 C ATOM 2085 CD1 TYR A 722 0.034 -10.562 9.551 1.00 10.05 C ATOM 2086 CD2 TYR A 722 1.578 -9.503 8.085 1.00 41.32 C ATOM 2087 CE1 TYR A 722 0.914 -10.410 10.603 1.00 71.21 C ATOM 2088 CE2 TYR A 722 2.464 -9.350 9.130 1.00 45.30 C ATOM 2089 CZ TYR A 722 2.128 -9.803 10.385 1.00 11.32 C ATOM 2090 OH TYR A 722 3.016 -9.639 11.430 1.00 22.43 O ATOM 0 H TYR A 722 1.205 -11.071 5.689 1.00 74.33 H new ATOM 0 HA TYR A 722 -0.726 -12.401 7.286 1.00 21.32 H new ATOM 0 HB2 TYR A 722 -0.413 -9.527 6.369 1.00 44.34 H new ATOM 0 HB3 TYR A 722 -1.640 -10.062 7.500 1.00 44.34 H new ATOM 0 HD1 TYR A 722 -0.919 -11.041 9.723 1.00 10.05 H new ATOM 0 HD2 TYR A 722 1.846 -9.143 7.103 1.00 41.32 H new ATOM 0 HE1 TYR A 722 0.651 -10.765 11.589 1.00 71.21 H new ATOM 0 HE2 TYR A 722 3.420 -8.876 8.964 1.00 45.30 H new ATOM 0 HH TYR A 722 3.826 -9.193 11.104 1.00 22.43 H new ATOM 2100 N ALA A 723 -1.509 -11.933 4.262 1.00 11.21 N ATOM 2101 CA ALA A 723 -2.550 -12.167 3.266 1.00 23.01 C ATOM 2102 C ALA A 723 -2.715 -13.660 3.060 1.00 22.23 C ATOM 2103 O ALA A 723 -3.510 -14.113 2.243 1.00 72.22 O ATOM 2104 CB ALA A 723 -2.205 -11.488 1.951 1.00 44.22 C ATOM 0 H ALA A 723 -0.566 -11.867 3.879 1.00 11.21 H new ATOM 0 HA ALA A 723 -3.487 -11.741 3.625 1.00 23.01 H new ATOM 0 HB1 ALA A 723 -2.996 -11.677 1.225 1.00 44.22 H new ATOM 0 HB2 ALA A 723 -2.108 -10.414 2.110 1.00 44.22 H new ATOM 0 HB3 ALA A 723 -1.263 -11.885 1.573 1.00 44.22 H new ATOM 2110 N CYS A 724 -1.952 -14.407 3.808 1.00 2.12 N ATOM 2111 CA CYS A 724 -1.996 -15.830 3.774 1.00 64.43 C ATOM 2112 C CYS A 724 -2.628 -16.301 5.061 1.00 12.45 C ATOM 2113 O CYS A 724 -2.377 -15.702 6.116 1.00 11.30 O ATOM 2114 CB CYS A 724 -0.577 -16.385 3.725 1.00 0.11 C ATOM 2115 SG CYS A 724 0.426 -15.779 2.349 1.00 12.24 S ATOM 0 H CYS A 724 -1.272 -14.030 4.468 1.00 2.12 H new ATOM 0 HA CYS A 724 -2.557 -16.164 2.901 1.00 64.43 H new ATOM 0 HB2 CYS A 724 -0.073 -16.139 4.660 1.00 0.11 H new ATOM 0 HB3 CYS A 724 -0.629 -17.472 3.667 1.00 0.11 H new ATOM 2120 N PRO A 725 -3.474 -17.326 5.023 1.00 22.11 N ATOM 2121 CA PRO A 725 -4.019 -17.915 6.231 1.00 72.43 C ATOM 2122 C PRO A 725 -2.917 -18.686 6.961 1.00 12.53 C ATOM 2123 O PRO A 725 -2.283 -18.126 7.885 1.00 38.08 O ATOM 2124 CB PRO A 725 -5.118 -18.878 5.724 1.00 34.11 C ATOM 2125 CG PRO A 725 -5.297 -18.555 4.276 1.00 3.20 C ATOM 2126 CD PRO A 725 -3.993 -17.978 3.811 1.00 12.05 C ATOM 2127 OXT PRO A 725 -2.652 -19.843 6.585 1.00 38.08 O ATOM 0 HA PRO A 725 -4.413 -17.178 6.931 1.00 72.43 H new ATOM 0 HB2 PRO A 725 -4.821 -19.918 5.860 1.00 34.11 H new ATOM 0 HB3 PRO A 725 -6.048 -18.737 6.275 1.00 34.11 H new ATOM 0 HG2 PRO A 725 -5.552 -19.449 3.707 1.00 3.20 H new ATOM 0 HG3 PRO A 725 -6.110 -17.843 4.134 1.00 3.20 H new ATOM 0 HD2 PRO A 725 -3.316 -18.751 3.446 1.00 12.05 H new ATOM 0 HD3 PRO A 725 -4.133 -17.266 2.997 1.00 12.05 H new TER 2135 PRO A 725