USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=40 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 670 GLN : amide:sc= -1.98! C(o=-1.7!,f=-2.7!) USER MOD Set 1.2: A 692 THR OG1 : rot -168:sc= 0.691 USER MOD Set 1.3: A 715 ASN : amide:sc= -0.44 X(o=-1.7,f=-1.3) USER MOD Set 2.1: A 663 SER OG : rot -140:sc= 1.05 USER MOD Set 2.2: A 672 THR OG1 : rot 143:sc= 1.3 USER MOD Set 3.1: A 644 GLN : amide:sc= 0.346 K(o=1.1,f=0.13) USER MOD Set 3.2: A 679 TYR OH : rot -65:sc= -0.0134 USER MOD Set 3.3: A 714 TYR OH : rot 165:sc= 0.782 USER MOD Set 4.1: A 585 SER OG : rot -140:sc= 0 USER MOD Set 4.2: A 587 THR OG1 : rot 107:sc= 1.23 USER MOD Set 4.3: A 598 GLN : amide:sc= -3.51! K(o=-2.3!,f=1.1) USER MOD Single : A 591 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1) USER MOD Single : A 593 THR OG1 : rot -70:sc= 0.0721 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0 USER MOD Single : A 609 THR OG1 : rot 84:sc= 0.0843 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ -166:sc= -0.0215 (180deg=-0.279) USER MOD Single : A 614 TYR OH : rot 23:sc= 0.55 USER MOD Single : A 615 LYS NZ :NH3+ -117:sc= -0.348 (180deg=-0.997) USER MOD Single : A 618 THR OG1 : rot -66:sc= 2 USER MOD Single : A 620 LYS NZ :NH3+ 133:sc= 0.933 (180deg=0.705) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 0.879 K(o=0.88,f=-4.7!) USER MOD Single : A 626 ASN : amide:sc= 1.96 K(o=2,f=-7.3!) USER MOD Single : A 632 SER OG : rot 146:sc= 1.27 USER MOD Single : A 640 SER OG : rot -70:sc= 1.16 USER MOD Single : A 646 SER OG : rot 30:sc= 1.13 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot -150:sc= 0 USER MOD Single : A 654 ASN : amide:sc= 0.426 K(o=0.43,f=-5.8!) USER MOD Single : A 658 SER OG : rot 140:sc= -0.617 USER MOD Single : A 659 ASN : amide:sc= 0.5 X(o=0.5,f=0.33) USER MOD Single : A 661 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0.976) USER MOD Single : A 664 TYR OH : rot 75:sc= -0.583! USER MOD Single : A 665 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 668 MET CE :methyl -175:sc= -0.77 (180deg=-0.856) USER MOD Single : A 673 TYR OH : rot -171:sc= 1.3 USER MOD Single : A 677 THR OG1 : rot -160:sc= 0.382 USER MOD Single : A 680 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.083) USER MOD Single : A 681 ASN : amide:sc= 0.495 K(o=0.5,f=-9.4!) USER MOD Single : A 683 LYS NZ :NH3+ -166:sc= -0.0435 (180deg=-0.272) USER MOD Single : A 685 THR OG1 : rot 180:sc= 0 USER MOD Single : A 689 THR OG1 : rot 5:sc= -3.88! USER MOD Single : A 706 TYR OH : rot 66:sc= -0.641! USER MOD Single : A 707 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.7!) USER MOD Single : A 711 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 712 SER OG : rot 180:sc= 0 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= 0 USER MOD Single : A 720 THR OG1 : rot 129:sc= 1.15 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 578 5.003 -12.351 20.295 1.00 43.32 N ATOM 2 CA GLU A 578 4.631 -13.752 20.555 1.00 20.02 C ATOM 3 C GLU A 578 5.873 -14.585 20.528 1.00 33.51 C ATOM 4 O GLU A 578 6.091 -15.428 21.408 1.00 24.22 O ATOM 5 CB GLU A 578 3.572 -14.297 19.565 1.00 51.03 C ATOM 6 CG GLU A 578 2.221 -13.563 19.584 1.00 23.33 C ATOM 7 CD GLU A 578 2.318 -12.127 19.138 1.00 24.54 C ATOM 8 OE1 GLU A 578 2.619 -11.255 19.977 1.00 33.14 O ATOM 9 OE2 GLU A 578 2.147 -11.859 17.942 1.00 45.14 O ATOM 0 HA GLU A 578 4.161 -13.802 21.537 1.00 20.02 H new ATOM 0 HB2 GLU A 578 3.981 -14.246 18.556 1.00 51.03 H new ATOM 0 HB3 GLU A 578 3.399 -15.350 19.786 1.00 51.03 H new ATOM 0 HG2 GLU A 578 1.519 -14.091 18.938 1.00 23.33 H new ATOM 0 HG3 GLU A 578 1.811 -13.596 20.594 1.00 23.33 H new ATOM 18 N ALA A 579 6.697 -14.372 19.513 1.00 41.41 N ATOM 19 CA ALA A 579 8.017 -14.935 19.513 1.00 14.41 C ATOM 20 C ALA A 579 8.837 -14.047 20.423 1.00 61.41 C ATOM 21 O ALA A 579 9.359 -13.031 20.001 1.00 71.35 O ATOM 22 CB ALA A 579 8.594 -14.976 18.107 1.00 51.14 C ATOM 0 H ALA A 579 6.467 -13.816 18.689 1.00 41.41 H new ATOM 0 HA ALA A 579 8.015 -15.967 19.863 1.00 14.41 H new ATOM 0 HB1 ALA A 579 9.595 -15.407 18.137 1.00 51.14 H new ATOM 0 HB2 ALA A 579 7.955 -15.586 17.469 1.00 51.14 H new ATOM 0 HB3 ALA A 579 8.647 -13.964 17.706 1.00 51.14 H new ATOM 28 N GLU A 580 8.853 -14.415 21.698 1.00 60.11 N ATOM 29 CA GLU A 580 9.383 -13.593 22.778 1.00 53.41 C ATOM 30 C GLU A 580 8.471 -12.375 23.005 1.00 44.23 C ATOM 31 O GLU A 580 7.455 -12.180 22.287 1.00 71.12 O ATOM 32 CB GLU A 580 10.872 -13.162 22.602 1.00 21.45 C ATOM 33 CG GLU A 580 11.909 -14.290 22.682 1.00 25.21 C ATOM 34 CD GLU A 580 11.878 -15.260 21.524 1.00 32.50 C ATOM 35 OE1 GLU A 580 12.564 -15.003 20.508 1.00 51.23 O ATOM 36 OE2 GLU A 580 11.202 -16.312 21.621 1.00 64.21 O ATOM 0 H GLU A 580 8.490 -15.313 22.017 1.00 60.11 H new ATOM 0 HA GLU A 580 9.386 -14.226 23.665 1.00 53.41 H new ATOM 0 HB2 GLU A 580 10.975 -12.667 21.636 1.00 21.45 H new ATOM 0 HB3 GLU A 580 11.109 -12.422 23.366 1.00 21.45 H new ATOM 0 HG2 GLU A 580 12.903 -13.847 22.741 1.00 25.21 H new ATOM 0 HG3 GLU A 580 11.752 -14.845 23.607 1.00 25.21 H new ATOM 43 N ALA A 581 8.791 -11.581 23.989 1.00 63.10 N ATOM 44 CA ALA A 581 7.997 -10.422 24.293 1.00 74.05 C ATOM 45 C ALA A 581 8.492 -9.238 23.507 1.00 22.43 C ATOM 46 O ALA A 581 9.700 -9.021 23.416 1.00 71.00 O ATOM 47 CB ALA A 581 8.039 -10.124 25.774 1.00 34.43 C ATOM 0 H ALA A 581 9.599 -11.716 24.596 1.00 63.10 H new ATOM 0 HA ALA A 581 6.963 -10.624 24.013 1.00 74.05 H new ATOM 0 HB1 ALA A 581 7.432 -9.243 25.985 1.00 34.43 H new ATOM 0 HB2 ALA A 581 7.646 -10.977 26.328 1.00 34.43 H new ATOM 0 HB3 ALA A 581 9.069 -9.937 26.078 1.00 34.43 H new ATOM 53 N GLU A 582 7.552 -8.506 22.900 1.00 2.51 N ATOM 54 CA GLU A 582 7.817 -7.276 22.114 1.00 11.00 C ATOM 55 C GLU A 582 8.474 -7.599 20.749 1.00 62.11 C ATOM 56 O GLU A 582 8.578 -6.738 19.856 1.00 2.52 O ATOM 57 CB GLU A 582 8.670 -6.274 22.927 1.00 1.34 C ATOM 58 CG GLU A 582 8.782 -4.889 22.321 1.00 71.30 C ATOM 59 CD GLU A 582 7.446 -4.203 22.235 1.00 51.53 C ATOM 60 OE1 GLU A 582 6.957 -3.717 23.279 1.00 32.21 O ATOM 61 OE2 GLU A 582 6.861 -4.131 21.132 1.00 50.51 O ATOM 0 H GLU A 582 6.562 -8.749 22.937 1.00 2.51 H new ATOM 0 HA GLU A 582 6.856 -6.806 21.904 1.00 11.00 H new ATOM 0 HB2 GLU A 582 8.243 -6.184 23.926 1.00 1.34 H new ATOM 0 HB3 GLU A 582 9.673 -6.685 23.044 1.00 1.34 H new ATOM 0 HG2 GLU A 582 9.462 -4.284 22.921 1.00 71.30 H new ATOM 0 HG3 GLU A 582 9.216 -4.963 21.324 1.00 71.30 H new ATOM 68 N PHE A 583 8.891 -8.828 20.579 1.00 43.30 N ATOM 69 CA PHE A 583 9.521 -9.237 19.367 1.00 32.02 C ATOM 70 C PHE A 583 8.532 -9.952 18.466 1.00 75.41 C ATOM 71 O PHE A 583 7.749 -10.806 18.914 1.00 61.01 O ATOM 72 CB PHE A 583 10.748 -10.122 19.648 1.00 42.43 C ATOM 73 CG PHE A 583 11.507 -10.540 18.405 1.00 4.22 C ATOM 74 CD1 PHE A 583 12.416 -9.676 17.812 1.00 3.14 C ATOM 75 CD2 PHE A 583 11.310 -11.791 17.833 1.00 72.45 C ATOM 76 CE1 PHE A 583 13.110 -10.049 16.679 1.00 42.42 C ATOM 77 CE2 PHE A 583 12.003 -12.167 16.700 1.00 44.35 C ATOM 78 CZ PHE A 583 12.904 -11.297 16.122 1.00 44.22 C ATOM 0 H PHE A 583 8.800 -9.565 21.279 1.00 43.30 H new ATOM 0 HA PHE A 583 9.870 -8.343 18.851 1.00 32.02 H new ATOM 0 HB2 PHE A 583 11.426 -9.585 20.311 1.00 42.43 H new ATOM 0 HB3 PHE A 583 10.423 -11.016 20.180 1.00 42.43 H new ATOM 0 HD1 PHE A 583 12.583 -8.700 18.242 1.00 3.14 H new ATOM 0 HD2 PHE A 583 10.606 -12.477 18.280 1.00 72.45 H new ATOM 0 HE1 PHE A 583 13.814 -9.366 16.228 1.00 42.42 H new ATOM 0 HE2 PHE A 583 11.840 -13.142 16.266 1.00 44.35 H new ATOM 0 HZ PHE A 583 13.447 -11.590 15.236 1.00 44.22 H new ATOM 88 N LEU A 584 8.528 -9.548 17.228 1.00 50.44 N ATOM 89 CA LEU A 584 7.756 -10.165 16.195 1.00 51.32 C ATOM 90 C LEU A 584 8.675 -10.313 15.004 1.00 23.33 C ATOM 91 O LEU A 584 9.369 -9.356 14.645 1.00 11.21 O ATOM 92 CB LEU A 584 6.496 -9.338 15.800 1.00 0.53 C ATOM 93 CG LEU A 584 5.405 -9.099 16.882 1.00 51.24 C ATOM 94 CD1 LEU A 584 5.814 -8.058 17.911 1.00 4.31 C ATOM 95 CD2 LEU A 584 4.070 -8.754 16.250 1.00 72.24 C ATOM 0 H LEU A 584 9.080 -8.755 16.903 1.00 50.44 H new ATOM 0 HA LEU A 584 7.379 -11.125 16.549 1.00 51.32 H new ATOM 0 HB2 LEU A 584 6.834 -8.364 15.447 1.00 0.53 H new ATOM 0 HB3 LEU A 584 6.022 -9.836 14.954 1.00 0.53 H new ATOM 0 HG LEU A 584 5.293 -10.039 17.422 1.00 51.24 H new ATOM 0 HD11 LEU A 584 5.014 -7.933 18.640 1.00 4.31 H new ATOM 0 HD12 LEU A 584 6.721 -8.386 18.420 1.00 4.31 H new ATOM 0 HD13 LEU A 584 6.001 -7.107 17.412 1.00 4.31 H new ATOM 0 HD21 LEU A 584 3.328 -8.593 17.032 1.00 72.24 H new ATOM 0 HD22 LEU A 584 4.173 -7.847 15.655 1.00 72.24 H new ATOM 0 HD23 LEU A 584 3.748 -9.574 15.608 1.00 72.24 H new ATOM 103 N SER A 585 8.713 -11.487 14.420 1.00 74.42 N ATOM 104 CA SER A 585 9.615 -11.753 13.320 1.00 64.51 C ATOM 105 C SER A 585 9.179 -11.022 12.062 1.00 63.02 C ATOM 106 O SER A 585 8.020 -11.134 11.635 1.00 54.41 O ATOM 107 CB SER A 585 9.712 -13.263 13.052 1.00 75.12 C ATOM 108 OG SER A 585 10.579 -13.544 11.958 1.00 50.44 O ATOM 0 H SER A 585 8.128 -12.278 14.688 1.00 74.42 H new ATOM 0 HA SER A 585 10.601 -11.383 13.602 1.00 64.51 H new ATOM 0 HB2 SER A 585 10.076 -13.770 13.946 1.00 75.12 H new ATOM 0 HB3 SER A 585 8.719 -13.661 12.842 1.00 75.12 H new ATOM 0 HG SER A 585 10.197 -14.265 11.415 1.00 50.44 H new ATOM 114 N ARG A 586 10.085 -10.257 11.489 1.00 50.20 N ATOM 115 CA ARG A 586 9.817 -9.598 10.262 1.00 45.34 C ATOM 116 C ARG A 586 10.834 -9.963 9.206 1.00 72.23 C ATOM 117 O ARG A 586 12.032 -9.732 9.360 1.00 2.24 O ATOM 118 CB ARG A 586 9.651 -8.063 10.445 1.00 42.35 C ATOM 119 CG ARG A 586 9.311 -7.277 9.161 1.00 33.43 C ATOM 120 CD ARG A 586 10.525 -7.020 8.272 1.00 34.13 C ATOM 121 NE ARG A 586 11.523 -6.169 8.925 1.00 31.55 N ATOM 122 CZ ARG A 586 12.853 -6.317 8.814 1.00 53.12 C ATOM 123 NH1 ARG A 586 13.359 -7.399 8.223 1.00 51.03 N ATOM 124 NH2 ARG A 586 13.671 -5.407 9.332 1.00 54.14 N ATOM 0 H ARG A 586 11.016 -10.086 11.870 1.00 50.20 H new ATOM 0 HA ARG A 586 8.853 -9.957 9.900 1.00 45.34 H new ATOM 0 HB2 ARG A 586 8.865 -7.884 11.179 1.00 42.35 H new ATOM 0 HB3 ARG A 586 10.574 -7.662 10.863 1.00 42.35 H new ATOM 0 HG2 ARG A 586 8.563 -7.830 8.592 1.00 33.43 H new ATOM 0 HG3 ARG A 586 8.862 -6.323 9.436 1.00 33.43 H new ATOM 0 HD2 ARG A 586 10.983 -7.972 8.002 1.00 34.13 H new ATOM 0 HD3 ARG A 586 10.200 -6.549 7.345 1.00 34.13 H new ATOM 0 HE ARG A 586 11.181 -5.406 9.509 1.00 31.55 H new ATOM 0 HH11 ARG A 586 12.736 -8.117 7.854 1.00 51.03 H new ATOM 0 HH12 ARG A 586 14.370 -7.509 8.140 1.00 51.03 H new ATOM 0 HH21 ARG A 586 13.289 -4.594 9.815 1.00 54.14 H new ATOM 0 HH22 ARG A 586 14.681 -5.522 9.246 1.00 54.14 H new ATOM 136 N THR A 587 10.353 -10.532 8.151 1.00 2.50 N ATOM 137 CA THR A 587 11.165 -10.859 7.016 1.00 43.11 C ATOM 138 C THR A 587 10.608 -10.085 5.815 1.00 44.02 C ATOM 139 O THR A 587 9.391 -9.963 5.683 1.00 20.42 O ATOM 140 CB THR A 587 11.112 -12.375 6.735 1.00 43.42 C ATOM 141 OG1 THR A 587 11.438 -13.103 7.943 1.00 22.11 O ATOM 142 CG2 THR A 587 12.105 -12.742 5.644 1.00 62.30 C ATOM 0 H THR A 587 9.371 -10.788 8.047 1.00 2.50 H new ATOM 0 HA THR A 587 12.205 -10.590 7.203 1.00 43.11 H new ATOM 0 HB THR A 587 10.107 -12.638 6.406 1.00 43.42 H new ATOM 0 HG1 THR A 587 10.626 -13.515 8.306 1.00 22.11 H new ATOM 0 HG21 THR A 587 12.058 -13.814 5.455 1.00 62.30 H new ATOM 0 HG22 THR A 587 11.858 -12.201 4.730 1.00 62.30 H new ATOM 0 HG23 THR A 587 13.112 -12.474 5.963 1.00 62.30 H new ATOM 148 N GLU A 588 11.466 -9.501 5.000 1.00 62.01 N ATOM 149 CA GLU A 588 11.001 -8.752 3.850 1.00 3.30 C ATOM 150 C GLU A 588 11.235 -9.508 2.542 1.00 71.03 C ATOM 151 O GLU A 588 12.220 -10.247 2.393 1.00 44.50 O ATOM 152 CB GLU A 588 11.606 -7.321 3.762 1.00 5.15 C ATOM 153 CG GLU A 588 13.129 -7.229 3.568 1.00 51.40 C ATOM 154 CD GLU A 588 13.936 -7.639 4.771 1.00 50.21 C ATOM 155 OE1 GLU A 588 14.030 -8.845 5.061 1.00 33.42 O ATOM 156 OE2 GLU A 588 14.487 -6.749 5.453 1.00 22.12 O ATOM 0 H GLU A 588 12.479 -9.530 5.112 1.00 62.01 H new ATOM 0 HA GLU A 588 9.927 -8.638 3.998 1.00 3.30 H new ATOM 0 HB2 GLU A 588 11.125 -6.798 2.936 1.00 5.15 H new ATOM 0 HB3 GLU A 588 11.345 -6.784 4.674 1.00 5.15 H new ATOM 0 HG2 GLU A 588 13.414 -7.857 2.724 1.00 51.40 H new ATOM 0 HG3 GLU A 588 13.388 -6.204 3.304 1.00 51.40 H new ATOM 163 N GLY A 589 10.341 -9.312 1.619 1.00 64.53 N ATOM 164 CA GLY A 589 10.431 -9.925 0.328 1.00 2.33 C ATOM 165 C GLY A 589 10.480 -8.875 -0.742 1.00 5.45 C ATOM 166 O GLY A 589 10.434 -7.672 -0.441 1.00 73.12 O ATOM 0 H GLY A 589 9.522 -8.717 1.742 1.00 64.53 H new ATOM 0 HA2 GLY A 589 11.323 -10.550 0.276 1.00 2.33 H new ATOM 0 HA3 GLY A 589 9.574 -10.579 0.167 1.00 2.33 H new ATOM 170 N ASP A 590 10.541 -9.291 -1.966 1.00 20.32 N ATOM 171 CA ASP A 590 10.679 -8.371 -3.067 1.00 22.44 C ATOM 172 C ASP A 590 9.767 -8.763 -4.217 1.00 43.13 C ATOM 173 O ASP A 590 9.457 -9.942 -4.400 1.00 14.52 O ATOM 174 CB ASP A 590 12.146 -8.316 -3.514 1.00 60.12 C ATOM 175 CG ASP A 590 12.394 -7.371 -4.656 1.00 35.15 C ATOM 176 OD1 ASP A 590 12.383 -6.143 -4.435 1.00 72.03 O ATOM 177 OD2 ASP A 590 12.602 -7.831 -5.784 1.00 10.42 O ATOM 0 H ASP A 590 10.497 -10.273 -2.238 1.00 20.32 H new ATOM 0 HA ASP A 590 10.379 -7.376 -2.738 1.00 22.44 H new ATOM 0 HB2 ASP A 590 12.764 -8.018 -2.667 1.00 60.12 H new ATOM 0 HB3 ASP A 590 12.466 -9.316 -3.806 1.00 60.12 H new ATOM 182 N ASN A 591 9.328 -7.764 -4.961 1.00 53.25 N ATOM 183 CA ASN A 591 8.425 -7.917 -6.106 1.00 35.40 C ATOM 184 C ASN A 591 7.055 -8.455 -5.731 1.00 72.33 C ATOM 185 O ASN A 591 6.731 -9.618 -5.996 1.00 52.14 O ATOM 186 CB ASN A 591 9.039 -8.698 -7.294 1.00 33.42 C ATOM 187 CG ASN A 591 10.175 -7.957 -7.980 1.00 74.31 C ATOM 188 OD1 ASN A 591 10.197 -6.723 -8.028 1.00 54.21 O ATOM 189 ND2 ASN A 591 11.109 -8.692 -8.526 1.00 35.15 N ATOM 0 H ASN A 591 9.592 -6.794 -4.787 1.00 53.25 H new ATOM 0 HA ASN A 591 8.276 -6.897 -6.459 1.00 35.40 H new ATOM 0 HB2 ASN A 591 9.406 -9.660 -6.936 1.00 33.42 H new ATOM 0 HB3 ASN A 591 8.258 -8.907 -8.025 1.00 33.42 H new ATOM 0 HD21 ASN A 591 11.889 -8.248 -9.011 1.00 35.15 H new ATOM 0 HD22 ASN A 591 11.058 -9.709 -8.466 1.00 35.15 H new ATOM 195 N CYS A 592 6.303 -7.619 -5.012 1.00 52.22 N ATOM 196 CA CYS A 592 4.886 -7.849 -4.666 1.00 55.01 C ATOM 197 C CYS A 592 4.655 -9.116 -3.829 1.00 63.44 C ATOM 198 O CYS A 592 3.512 -9.574 -3.682 1.00 70.22 O ATOM 199 CB CYS A 592 4.045 -7.885 -5.945 1.00 60.21 C ATOM 200 SG CYS A 592 4.211 -6.377 -6.967 1.00 52.41 S ATOM 0 H CYS A 592 6.665 -6.740 -4.642 1.00 52.22 H new ATOM 0 HA CYS A 592 4.574 -7.017 -4.035 1.00 55.01 H new ATOM 0 HB2 CYS A 592 4.337 -8.751 -6.539 1.00 60.21 H new ATOM 0 HB3 CYS A 592 2.997 -8.020 -5.678 1.00 60.21 H new ATOM 205 N THR A 593 5.713 -9.648 -3.243 1.00 53.42 N ATOM 206 CA THR A 593 5.626 -10.855 -2.469 1.00 2.45 C ATOM 207 C THR A 593 6.479 -10.731 -1.221 1.00 13.53 C ATOM 208 O THR A 593 7.359 -9.861 -1.142 1.00 14.12 O ATOM 209 CB THR A 593 6.096 -12.090 -3.283 1.00 35.04 C ATOM 210 OG1 THR A 593 7.408 -11.850 -3.788 1.00 0.01 O ATOM 211 CG2 THR A 593 5.163 -12.400 -4.445 1.00 12.14 C ATOM 0 H THR A 593 6.651 -9.250 -3.295 1.00 53.42 H new ATOM 0 HA THR A 593 4.580 -10.998 -2.197 1.00 2.45 H new ATOM 0 HB THR A 593 6.091 -12.949 -2.613 1.00 35.04 H new ATOM 0 HG1 THR A 593 7.368 -11.171 -4.494 1.00 0.01 H new ATOM 0 HG21 THR A 593 5.532 -13.272 -4.985 1.00 12.14 H new ATOM 0 HG22 THR A 593 4.163 -12.606 -4.064 1.00 12.14 H new ATOM 0 HG23 THR A 593 5.125 -11.544 -5.119 1.00 12.14 H new ATOM 217 N VAL A 594 6.206 -11.569 -0.261 1.00 21.42 N ATOM 218 CA VAL A 594 6.949 -11.628 0.961 1.00 13.40 C ATOM 219 C VAL A 594 7.008 -13.057 1.466 1.00 74.43 C ATOM 220 O VAL A 594 6.051 -13.797 1.356 1.00 34.43 O ATOM 221 CB VAL A 594 6.393 -10.656 2.043 1.00 21.21 C ATOM 222 CG1 VAL A 594 4.895 -10.843 2.239 1.00 63.32 C ATOM 223 CG2 VAL A 594 7.109 -10.847 3.362 1.00 65.10 C ATOM 0 H VAL A 594 5.443 -12.244 -0.310 1.00 21.42 H new ATOM 0 HA VAL A 594 7.964 -11.292 0.750 1.00 13.40 H new ATOM 0 HB VAL A 594 6.572 -9.641 1.688 1.00 21.21 H new ATOM 0 HG11 VAL A 594 4.538 -10.150 3.001 1.00 63.32 H new ATOM 0 HG12 VAL A 594 4.378 -10.647 1.300 1.00 63.32 H new ATOM 0 HG13 VAL A 594 4.695 -11.866 2.557 1.00 63.32 H new ATOM 0 HG21 VAL A 594 6.702 -10.156 4.100 1.00 65.10 H new ATOM 0 HG22 VAL A 594 6.969 -11.871 3.707 1.00 65.10 H new ATOM 0 HG23 VAL A 594 8.173 -10.651 3.230 1.00 65.10 H new ATOM 229 N PHE A 595 8.129 -13.429 1.987 1.00 21.23 N ATOM 230 CA PHE A 595 8.358 -14.751 2.470 1.00 12.53 C ATOM 231 C PHE A 595 9.017 -14.655 3.823 1.00 75.14 C ATOM 232 O PHE A 595 9.678 -13.669 4.108 1.00 11.14 O ATOM 233 CB PHE A 595 9.251 -15.525 1.485 1.00 54.14 C ATOM 234 CG PHE A 595 10.631 -14.924 1.293 1.00 65.15 C ATOM 235 CD1 PHE A 595 10.843 -13.903 0.380 1.00 35.52 C ATOM 236 CD2 PHE A 595 11.709 -15.377 2.040 1.00 44.32 C ATOM 237 CE1 PHE A 595 12.099 -13.350 0.217 1.00 54.20 C ATOM 238 CE2 PHE A 595 12.961 -14.827 1.878 1.00 63.22 C ATOM 239 CZ PHE A 595 13.157 -13.812 0.966 1.00 43.34 C ATOM 0 H PHE A 595 8.931 -12.808 2.092 1.00 21.23 H new ATOM 0 HA PHE A 595 7.414 -15.288 2.560 1.00 12.53 H new ATOM 0 HB2 PHE A 595 9.359 -16.550 1.839 1.00 54.14 H new ATOM 0 HB3 PHE A 595 8.750 -15.573 0.518 1.00 54.14 H new ATOM 0 HD1 PHE A 595 10.017 -13.535 -0.211 1.00 35.52 H new ATOM 0 HD2 PHE A 595 11.564 -16.171 2.758 1.00 44.32 H new ATOM 0 HE1 PHE A 595 12.250 -12.555 -0.498 1.00 54.20 H new ATOM 0 HE2 PHE A 595 13.790 -15.191 2.466 1.00 63.22 H new ATOM 0 HZ PHE A 595 14.139 -13.380 0.840 1.00 43.34 H new ATOM 249 N ASP A 596 8.801 -15.630 4.657 1.00 21.23 N ATOM 250 CA ASP A 596 9.428 -15.663 5.966 1.00 41.42 C ATOM 251 C ASP A 596 10.211 -16.949 6.099 1.00 31.12 C ATOM 252 O ASP A 596 9.667 -18.031 5.848 1.00 32.02 O ATOM 253 CB ASP A 596 8.389 -15.591 7.073 1.00 52.45 C ATOM 254 CG ASP A 596 9.043 -15.450 8.417 1.00 70.50 C ATOM 255 OD1 ASP A 596 9.363 -16.469 9.034 1.00 71.02 O ATOM 256 OD2 ASP A 596 9.297 -14.318 8.850 1.00 2.34 O ATOM 0 H ASP A 596 8.192 -16.424 4.461 1.00 21.23 H new ATOM 0 HA ASP A 596 10.088 -14.801 6.060 1.00 41.42 H new ATOM 0 HB2 ASP A 596 7.724 -14.745 6.898 1.00 52.45 H new ATOM 0 HB3 ASP A 596 7.773 -16.490 7.057 1.00 52.45 H new ATOM 261 N SER A 597 11.471 -16.847 6.469 1.00 4.22 N ATOM 262 CA SER A 597 12.337 -18.014 6.575 1.00 31.54 C ATOM 263 C SER A 597 11.943 -18.949 7.737 1.00 1.23 C ATOM 264 O SER A 597 11.901 -20.167 7.568 1.00 73.51 O ATOM 265 CB SER A 597 13.780 -17.559 6.730 1.00 53.42 C ATOM 266 OG SER A 597 14.150 -16.699 5.659 1.00 43.41 O ATOM 0 H SER A 597 11.925 -15.964 6.704 1.00 4.22 H new ATOM 0 HA SER A 597 12.221 -18.593 5.659 1.00 31.54 H new ATOM 0 HB2 SER A 597 13.903 -17.040 7.680 1.00 53.42 H new ATOM 0 HB3 SER A 597 14.440 -18.426 6.753 1.00 53.42 H new ATOM 0 HG SER A 597 15.080 -16.414 5.775 1.00 43.41 H new ATOM 272 N GLN A 598 11.613 -18.386 8.885 1.00 4.32 N ATOM 273 CA GLN A 598 11.296 -19.204 10.039 1.00 62.13 C ATOM 274 C GLN A 598 9.886 -19.768 10.049 1.00 11.24 C ATOM 275 O GLN A 598 9.681 -20.922 10.434 1.00 44.02 O ATOM 276 CB GLN A 598 11.715 -18.612 11.411 1.00 60.13 C ATOM 277 CG GLN A 598 11.345 -17.151 11.734 1.00 10.31 C ATOM 278 CD GLN A 598 12.206 -16.126 10.996 1.00 74.21 C ATOM 279 OE1 GLN A 598 13.272 -15.737 11.477 1.00 42.00 O ATOM 280 NE2 GLN A 598 11.733 -15.627 9.883 1.00 34.43 N ATOM 0 H GLN A 598 11.558 -17.380 9.042 1.00 4.32 H new ATOM 0 HA GLN A 598 11.953 -20.062 9.898 1.00 62.13 H new ATOM 0 HB2 GLN A 598 11.282 -19.242 12.188 1.00 60.13 H new ATOM 0 HB3 GLN A 598 12.798 -18.704 11.493 1.00 60.13 H new ATOM 0 HG2 GLN A 598 10.298 -16.985 11.479 1.00 10.31 H new ATOM 0 HG3 GLN A 598 11.441 -16.989 12.808 1.00 10.31 H new ATOM 0 HE21 GLN A 598 10.848 -15.967 9.507 1.00 34.43 H new ATOM 0 HE22 GLN A 598 12.249 -14.898 9.391 1.00 34.43 H new ATOM 288 N ALA A 599 8.926 -18.991 9.627 1.00 13.13 N ATOM 289 CA ALA A 599 7.552 -19.465 9.577 1.00 74.54 C ATOM 290 C ALA A 599 7.312 -20.282 8.315 1.00 61.21 C ATOM 291 O ALA A 599 6.345 -21.053 8.239 1.00 24.31 O ATOM 292 CB ALA A 599 6.578 -18.296 9.639 1.00 13.44 C ATOM 0 H ALA A 599 9.059 -18.030 9.312 1.00 13.13 H new ATOM 0 HA ALA A 599 7.383 -20.105 10.443 1.00 74.54 H new ATOM 0 HB1 ALA A 599 5.556 -18.672 9.600 1.00 13.44 H new ATOM 0 HB2 ALA A 599 6.728 -17.747 10.568 1.00 13.44 H new ATOM 0 HB3 ALA A 599 6.753 -17.632 8.793 1.00 13.44 H new ATOM 298 N GLY A 600 8.211 -20.122 7.337 1.00 11.34 N ATOM 299 CA GLY A 600 8.105 -20.861 6.081 1.00 63.33 C ATOM 300 C GLY A 600 6.845 -20.484 5.363 1.00 54.33 C ATOM 301 O GLY A 600 6.121 -21.333 4.834 1.00 14.50 O ATOM 0 H GLY A 600 9.012 -19.493 7.393 1.00 11.34 H new ATOM 0 HA2 GLY A 600 8.969 -20.648 5.451 1.00 63.33 H new ATOM 0 HA3 GLY A 600 8.112 -21.933 6.280 1.00 63.33 H new ATOM 305 N PHE A 601 6.591 -19.211 5.354 1.00 11.25 N ATOM 306 CA PHE A 601 5.378 -18.669 4.836 1.00 53.54 C ATOM 307 C PHE A 601 5.707 -17.770 3.659 1.00 53.51 C ATOM 308 O PHE A 601 6.752 -17.129 3.650 1.00 62.31 O ATOM 309 CB PHE A 601 4.706 -17.876 5.966 1.00 73.42 C ATOM 310 CG PHE A 601 3.347 -17.330 5.664 1.00 31.41 C ATOM 311 CD1 PHE A 601 2.222 -18.124 5.827 1.00 33.31 C ATOM 312 CD2 PHE A 601 3.185 -16.026 5.242 1.00 71.13 C ATOM 313 CE1 PHE A 601 0.967 -17.630 5.572 1.00 14.20 C ATOM 314 CE2 PHE A 601 1.932 -15.528 4.990 1.00 61.14 C ATOM 315 CZ PHE A 601 0.819 -16.333 5.156 1.00 2.14 C ATOM 0 H PHE A 601 7.236 -18.508 5.715 1.00 11.25 H new ATOM 0 HA PHE A 601 4.702 -19.451 4.489 1.00 53.54 H new ATOM 0 HB2 PHE A 601 4.630 -18.521 6.841 1.00 73.42 H new ATOM 0 HB3 PHE A 601 5.358 -17.046 6.238 1.00 73.42 H new ATOM 0 HD1 PHE A 601 2.335 -19.145 6.159 1.00 33.31 H new ATOM 0 HD2 PHE A 601 4.050 -15.394 5.109 1.00 71.13 H new ATOM 0 HE1 PHE A 601 0.100 -18.261 5.699 1.00 14.20 H new ATOM 0 HE2 PHE A 601 1.814 -14.506 4.662 1.00 61.14 H new ATOM 0 HZ PHE A 601 -0.167 -15.939 4.958 1.00 2.14 H new ATOM 325 N SER A 602 4.847 -17.743 2.685 1.00 43.03 N ATOM 326 CA SER A 602 5.014 -16.919 1.523 1.00 31.41 C ATOM 327 C SER A 602 3.690 -16.256 1.178 1.00 64.53 C ATOM 328 O SER A 602 2.640 -16.911 1.179 1.00 70.41 O ATOM 329 CB SER A 602 5.571 -17.755 0.364 1.00 1.40 C ATOM 330 OG SER A 602 4.833 -18.963 0.194 1.00 4.01 O ATOM 0 H SER A 602 3.994 -18.303 2.675 1.00 43.03 H new ATOM 0 HA SER A 602 5.737 -16.128 1.723 1.00 31.41 H new ATOM 0 HB2 SER A 602 5.536 -17.173 -0.557 1.00 1.40 H new ATOM 0 HB3 SER A 602 6.618 -17.990 0.553 1.00 1.40 H new ATOM 0 HG SER A 602 5.210 -19.474 -0.553 1.00 4.01 H new ATOM 336 N PHE A 603 3.719 -14.973 0.930 1.00 1.40 N ATOM 337 CA PHE A 603 2.514 -14.256 0.668 1.00 23.25 C ATOM 338 C PHE A 603 2.712 -13.329 -0.516 1.00 14.40 C ATOM 339 O PHE A 603 3.805 -12.804 -0.720 1.00 64.11 O ATOM 340 CB PHE A 603 2.162 -13.433 1.886 1.00 52.04 C ATOM 341 CG PHE A 603 0.692 -13.267 2.059 1.00 43.54 C ATOM 342 CD1 PHE A 603 -0.031 -14.245 2.702 1.00 22.15 C ATOM 343 CD2 PHE A 603 0.031 -12.163 1.583 1.00 51.10 C ATOM 344 CE1 PHE A 603 -1.377 -14.135 2.877 1.00 53.01 C ATOM 345 CE2 PHE A 603 -1.327 -12.046 1.755 1.00 34.24 C ATOM 346 CZ PHE A 603 -2.024 -13.038 2.406 1.00 61.35 C ATOM 0 H PHE A 603 4.568 -14.409 0.905 1.00 1.40 H new ATOM 0 HA PHE A 603 1.713 -14.960 0.443 1.00 23.25 H new ATOM 0 HB2 PHE A 603 2.577 -13.909 2.774 1.00 52.04 H new ATOM 0 HB3 PHE A 603 2.628 -12.451 1.804 1.00 52.04 H new ATOM 0 HD1 PHE A 603 0.480 -15.120 3.076 1.00 22.15 H new ATOM 0 HD2 PHE A 603 0.579 -11.385 1.072 1.00 51.10 H new ATOM 0 HE1 PHE A 603 -1.925 -14.914 3.386 1.00 53.01 H new ATOM 0 HE2 PHE A 603 -1.847 -11.177 1.380 1.00 34.24 H new ATOM 0 HZ PHE A 603 -3.091 -12.944 2.543 1.00 61.35 H new ATOM 356 N ASP A 604 1.678 -13.143 -1.292 1.00 63.45 N ATOM 357 CA ASP A 604 1.726 -12.239 -2.435 1.00 4.05 C ATOM 358 C ASP A 604 0.567 -11.268 -2.358 1.00 51.33 C ATOM 359 O ASP A 604 -0.476 -11.596 -1.794 1.00 1.22 O ATOM 360 CB ASP A 604 1.690 -13.000 -3.777 1.00 30.10 C ATOM 361 CG ASP A 604 0.389 -13.713 -4.042 1.00 71.01 C ATOM 362 OD1 ASP A 604 0.209 -14.844 -3.557 1.00 45.31 O ATOM 363 OD2 ASP A 604 -0.473 -13.155 -4.752 1.00 63.13 O ATOM 0 H ASP A 604 0.779 -13.606 -1.160 1.00 63.45 H new ATOM 0 HA ASP A 604 2.671 -11.697 -2.395 1.00 4.05 H new ATOM 0 HB2 ASP A 604 1.878 -12.296 -4.587 1.00 30.10 H new ATOM 0 HB3 ASP A 604 2.501 -13.728 -3.792 1.00 30.10 H new ATOM 368 N LEU A 605 0.741 -10.078 -2.907 1.00 54.44 N ATOM 369 CA LEU A 605 -0.326 -9.062 -2.920 1.00 53.23 C ATOM 370 C LEU A 605 -0.421 -8.388 -4.286 1.00 21.24 C ATOM 371 O LEU A 605 -0.774 -7.220 -4.388 1.00 2.41 O ATOM 372 CB LEU A 605 -0.097 -7.996 -1.835 1.00 13.34 C ATOM 373 CG LEU A 605 -0.136 -8.472 -0.384 1.00 31.30 C ATOM 374 CD1 LEU A 605 0.220 -7.338 0.526 1.00 72.55 C ATOM 375 CD2 LEU A 605 -1.516 -8.999 -0.022 1.00 60.22 C ATOM 0 H LEU A 605 1.609 -9.780 -3.353 1.00 54.44 H new ATOM 0 HA LEU A 605 -1.264 -9.577 -2.711 1.00 53.23 H new ATOM 0 HB2 LEU A 605 0.873 -7.531 -2.014 1.00 13.34 H new ATOM 0 HB3 LEU A 605 -0.851 -7.218 -1.958 1.00 13.34 H new ATOM 0 HG LEU A 605 0.585 -9.281 -0.268 1.00 31.30 H new ATOM 0 HD11 LEU A 605 0.192 -7.679 1.561 1.00 72.55 H new ATOM 0 HD12 LEU A 605 1.222 -6.982 0.289 1.00 72.55 H new ATOM 0 HD13 LEU A 605 -0.495 -6.526 0.392 1.00 72.55 H new ATOM 0 HD21 LEU A 605 -1.518 -9.332 1.016 1.00 60.22 H new ATOM 0 HD22 LEU A 605 -2.253 -8.206 -0.150 1.00 60.22 H new ATOM 0 HD23 LEU A 605 -1.767 -9.837 -0.672 1.00 60.22 H new ATOM 383 N THR A 606 -0.153 -9.141 -5.329 1.00 22.32 N ATOM 384 CA THR A 606 -0.230 -8.657 -6.686 1.00 53.33 C ATOM 385 C THR A 606 -1.622 -7.973 -7.048 1.00 33.40 C ATOM 386 O THR A 606 -1.627 -6.863 -7.588 1.00 61.20 O ATOM 387 CB THR A 606 0.102 -9.802 -7.648 1.00 42.32 C ATOM 388 OG1 THR A 606 1.376 -10.352 -7.270 1.00 62.44 O ATOM 389 CG2 THR A 606 0.188 -9.301 -9.062 1.00 21.03 C ATOM 0 H THR A 606 0.128 -10.119 -5.256 1.00 22.32 H new ATOM 0 HA THR A 606 0.506 -7.860 -6.790 1.00 53.33 H new ATOM 0 HB THR A 606 -0.683 -10.557 -7.594 1.00 42.32 H new ATOM 0 HG1 THR A 606 1.606 -11.089 -7.874 1.00 62.44 H new ATOM 0 HG21 THR A 606 0.425 -10.131 -9.728 1.00 21.03 H new ATOM 0 HG22 THR A 606 -0.768 -8.864 -9.352 1.00 21.03 H new ATOM 0 HG23 THR A 606 0.969 -8.544 -9.133 1.00 21.03 H new ATOM 395 N PRO A 607 -2.819 -8.598 -6.717 1.00 11.02 N ATOM 396 CA PRO A 607 -4.151 -7.992 -7.025 1.00 44.15 C ATOM 397 C PRO A 607 -4.386 -6.650 -6.301 1.00 1.03 C ATOM 398 O PRO A 607 -5.319 -5.908 -6.612 1.00 53.42 O ATOM 399 CB PRO A 607 -5.151 -9.043 -6.515 1.00 32.04 C ATOM 400 CG PRO A 607 -4.372 -10.308 -6.460 1.00 11.11 C ATOM 401 CD PRO A 607 -2.986 -9.911 -6.065 1.00 2.02 C ATOM 0 HA PRO A 607 -4.244 -7.761 -8.086 1.00 44.15 H new ATOM 0 HB2 PRO A 607 -5.541 -8.775 -5.533 1.00 32.04 H new ATOM 0 HB3 PRO A 607 -6.007 -9.133 -7.184 1.00 32.04 H new ATOM 0 HG2 PRO A 607 -4.802 -11.002 -5.737 1.00 11.11 H new ATOM 0 HG3 PRO A 607 -4.375 -10.812 -7.426 1.00 11.11 H new ATOM 0 HD2 PRO A 607 -2.879 -9.841 -4.983 1.00 2.02 H new ATOM 0 HD3 PRO A 607 -2.245 -10.631 -6.412 1.00 2.02 H new ATOM 409 N LEU A 608 -3.527 -6.355 -5.343 1.00 14.44 N ATOM 410 CA LEU A 608 -3.603 -5.139 -4.559 1.00 53.02 C ATOM 411 C LEU A 608 -3.044 -3.942 -5.343 1.00 41.11 C ATOM 412 O LEU A 608 -3.253 -2.800 -4.961 1.00 51.11 O ATOM 413 CB LEU A 608 -2.795 -5.291 -3.254 1.00 25.33 C ATOM 414 CG LEU A 608 -3.333 -6.174 -2.092 1.00 71.23 C ATOM 415 CD1 LEU A 608 -4.504 -5.540 -1.434 1.00 73.11 C ATOM 416 CD2 LEU A 608 -3.701 -7.573 -2.528 1.00 3.35 C ATOM 0 H LEU A 608 -2.748 -6.961 -5.085 1.00 14.44 H new ATOM 0 HA LEU A 608 -4.654 -4.962 -4.329 1.00 53.02 H new ATOM 0 HB2 LEU A 608 -1.814 -5.680 -3.526 1.00 25.33 H new ATOM 0 HB3 LEU A 608 -2.641 -4.290 -2.852 1.00 25.33 H new ATOM 0 HG LEU A 608 -2.510 -6.256 -1.382 1.00 71.23 H new ATOM 0 HD11 LEU A 608 -4.858 -6.180 -0.626 1.00 73.11 H new ATOM 0 HD12 LEU A 608 -4.213 -4.571 -1.028 1.00 73.11 H new ATOM 0 HD13 LEU A 608 -5.302 -5.403 -2.164 1.00 73.11 H new ATOM 0 HD21 LEU A 608 -4.069 -8.136 -1.670 1.00 3.35 H new ATOM 0 HD22 LEU A 608 -4.478 -7.524 -3.291 1.00 3.35 H new ATOM 0 HD23 LEU A 608 -2.822 -8.070 -2.938 1.00 3.35 H new ATOM 424 N THR A 609 -2.319 -4.209 -6.408 1.00 60.51 N ATOM 425 CA THR A 609 -1.717 -3.153 -7.207 1.00 3.23 C ATOM 426 C THR A 609 -2.767 -2.474 -8.118 1.00 40.23 C ATOM 427 O THR A 609 -3.584 -3.159 -8.739 1.00 43.33 O ATOM 428 CB THR A 609 -0.582 -3.735 -8.065 1.00 43.00 C ATOM 429 OG1 THR A 609 0.311 -4.466 -7.209 1.00 33.13 O ATOM 430 CG2 THR A 609 0.201 -2.629 -8.754 1.00 25.22 C ATOM 0 H THR A 609 -2.129 -5.153 -6.745 1.00 60.51 H new ATOM 0 HA THR A 609 -1.316 -2.399 -6.530 1.00 3.23 H new ATOM 0 HB THR A 609 -1.015 -4.384 -8.826 1.00 43.00 H new ATOM 0 HG1 THR A 609 -0.034 -5.374 -7.076 1.00 33.13 H new ATOM 0 HG21 THR A 609 0.998 -3.067 -9.355 1.00 25.22 H new ATOM 0 HG22 THR A 609 -0.467 -2.058 -9.399 1.00 25.22 H new ATOM 0 HG23 THR A 609 0.634 -1.968 -8.003 1.00 25.22 H new ATOM 436 N LYS A 610 -2.757 -1.138 -8.172 1.00 15.22 N ATOM 437 CA LYS A 610 -3.642 -0.398 -9.051 1.00 63.20 C ATOM 438 C LYS A 610 -2.899 0.674 -9.796 1.00 41.04 C ATOM 439 O LYS A 610 -2.088 1.384 -9.222 1.00 40.21 O ATOM 440 CB LYS A 610 -4.771 0.296 -8.303 1.00 33.03 C ATOM 441 CG LYS A 610 -5.734 -0.599 -7.583 1.00 63.32 C ATOM 442 CD LYS A 610 -6.997 0.167 -7.230 1.00 24.44 C ATOM 443 CE LYS A 610 -8.043 -0.733 -6.611 1.00 2.13 C ATOM 444 NZ LYS A 610 -9.288 0.004 -6.322 1.00 21.41 N ATOM 0 H LYS A 610 -2.139 -0.552 -7.610 1.00 15.22 H new ATOM 0 HA LYS A 610 -4.053 -1.144 -9.732 1.00 63.20 H new ATOM 0 HB2 LYS A 610 -4.332 0.981 -7.578 1.00 33.03 H new ATOM 0 HB3 LYS A 610 -5.332 0.902 -9.014 1.00 33.03 H new ATOM 0 HG2 LYS A 610 -5.983 -1.456 -8.209 1.00 63.32 H new ATOM 0 HG3 LYS A 610 -5.271 -0.989 -6.677 1.00 63.32 H new ATOM 0 HD2 LYS A 610 -6.753 0.971 -6.536 1.00 24.44 H new ATOM 0 HD3 LYS A 610 -7.403 0.633 -8.128 1.00 24.44 H new ATOM 0 HE2 LYS A 610 -8.258 -1.561 -7.286 1.00 2.13 H new ATOM 0 HE3 LYS A 610 -7.653 -1.166 -5.690 1.00 2.13 H new ATOM 0 HZ1 LYS A 610 -9.984 -0.643 -5.898 1.00 21.41 H new ATOM 0 HZ2 LYS A 610 -9.087 0.779 -5.658 1.00 21.41 H new ATOM 0 HZ3 LYS A 610 -9.672 0.396 -7.205 1.00 21.41 H new ATOM 458 N LYS A 611 -3.194 0.818 -11.059 1.00 2.25 N ATOM 459 CA LYS A 611 -2.623 1.894 -11.846 1.00 3.53 C ATOM 460 C LYS A 611 -3.309 3.230 -11.518 1.00 74.22 C ATOM 461 O LYS A 611 -2.817 4.296 -11.847 1.00 50.03 O ATOM 462 CB LYS A 611 -2.609 1.566 -13.371 1.00 62.31 C ATOM 463 CG LYS A 611 -3.960 1.187 -14.016 1.00 51.20 C ATOM 464 CD LYS A 611 -4.964 2.333 -14.032 1.00 61.23 C ATOM 465 CE LYS A 611 -6.265 1.925 -14.688 1.00 41.20 C ATOM 466 NZ LYS A 611 -6.077 1.521 -16.099 1.00 65.11 N ATOM 0 H LYS A 611 -3.828 0.206 -11.573 1.00 2.25 H new ATOM 0 HA LYS A 611 -1.575 1.999 -11.566 1.00 3.53 H new ATOM 0 HB2 LYS A 611 -2.211 2.432 -13.901 1.00 62.31 H new ATOM 0 HB3 LYS A 611 -1.912 0.744 -13.535 1.00 62.31 H new ATOM 0 HG2 LYS A 611 -3.785 0.852 -15.039 1.00 51.20 H new ATOM 0 HG3 LYS A 611 -4.390 0.345 -13.474 1.00 51.20 H new ATOM 0 HD2 LYS A 611 -5.158 2.662 -13.011 1.00 61.23 H new ATOM 0 HD3 LYS A 611 -4.538 3.183 -14.565 1.00 61.23 H new ATOM 0 HE2 LYS A 611 -6.707 1.099 -14.131 1.00 41.20 H new ATOM 0 HE3 LYS A 611 -6.970 2.755 -14.640 1.00 41.20 H new ATOM 0 HZ1 LYS A 611 -7.001 1.479 -16.574 1.00 65.11 H new ATOM 0 HZ2 LYS A 611 -5.471 2.215 -16.581 1.00 65.11 H new ATOM 0 HZ3 LYS A 611 -5.627 0.584 -16.135 1.00 65.11 H new ATOM 480 N ASP A 612 -4.465 3.136 -10.883 1.00 13.33 N ATOM 481 CA ASP A 612 -5.246 4.313 -10.480 1.00 72.43 C ATOM 482 C ASP A 612 -4.863 4.732 -9.060 1.00 41.51 C ATOM 483 O ASP A 612 -5.178 5.842 -8.611 1.00 43.23 O ATOM 484 CB ASP A 612 -6.744 3.982 -10.576 1.00 55.24 C ATOM 485 CG ASP A 612 -7.669 5.130 -10.213 1.00 45.11 C ATOM 486 OD1 ASP A 612 -7.683 6.146 -10.941 1.00 4.11 O ATOM 487 OD2 ASP A 612 -8.456 4.995 -9.225 1.00 61.43 O ATOM 0 H ASP A 612 -4.896 2.247 -10.629 1.00 13.33 H new ATOM 0 HA ASP A 612 -5.030 5.148 -11.146 1.00 72.43 H new ATOM 0 HB2 ASP A 612 -6.967 3.660 -11.593 1.00 55.24 H new ATOM 0 HB3 ASP A 612 -6.959 3.138 -9.921 1.00 55.24 H new ATOM 492 N ALA A 613 -4.147 3.825 -8.383 1.00 62.03 N ATOM 493 CA ALA A 613 -3.673 3.994 -7.005 1.00 33.42 C ATOM 494 C ALA A 613 -4.816 4.106 -5.993 1.00 71.45 C ATOM 495 O ALA A 613 -5.992 4.146 -6.345 1.00 61.51 O ATOM 496 CB ALA A 613 -2.702 5.175 -6.876 1.00 74.33 C ATOM 0 H ALA A 613 -3.875 2.930 -8.790 1.00 62.03 H new ATOM 0 HA ALA A 613 -3.126 3.083 -6.762 1.00 33.42 H new ATOM 0 HB1 ALA A 613 -2.375 5.266 -5.840 1.00 74.33 H new ATOM 0 HB2 ALA A 613 -1.836 5.006 -7.517 1.00 74.33 H new ATOM 0 HB3 ALA A 613 -3.204 6.094 -7.179 1.00 74.33 H new ATOM 502 N TYR A 614 -4.459 4.103 -4.755 1.00 3.53 N ATOM 503 CA TYR A 614 -5.391 4.262 -3.658 1.00 25.12 C ATOM 504 C TYR A 614 -5.234 5.644 -3.085 1.00 13.24 C ATOM 505 O TYR A 614 -4.115 6.121 -2.934 1.00 50.55 O ATOM 506 CB TYR A 614 -5.117 3.207 -2.581 1.00 71.51 C ATOM 507 CG TYR A 614 -5.316 1.798 -3.076 1.00 42.32 C ATOM 508 CD1 TYR A 614 -4.347 1.168 -3.848 1.00 42.40 C ATOM 509 CD2 TYR A 614 -6.483 1.106 -2.796 1.00 12.42 C ATOM 510 CE1 TYR A 614 -4.538 -0.093 -4.321 1.00 71.53 C ATOM 511 CE2 TYR A 614 -6.673 -0.172 -3.264 1.00 75.13 C ATOM 512 CZ TYR A 614 -5.697 -0.761 -4.030 1.00 64.53 C ATOM 513 OH TYR A 614 -5.880 -2.022 -4.512 1.00 62.43 O ATOM 0 H TYR A 614 -3.491 3.988 -4.455 1.00 3.53 H new ATOM 0 HA TYR A 614 -6.412 4.129 -4.017 1.00 25.12 H new ATOM 0 HB2 TYR A 614 -4.094 3.319 -2.222 1.00 71.51 H new ATOM 0 HB3 TYR A 614 -5.775 3.384 -1.730 1.00 71.51 H new ATOM 0 HD1 TYR A 614 -3.428 1.688 -4.076 1.00 42.40 H new ATOM 0 HD2 TYR A 614 -7.253 1.577 -2.203 1.00 12.42 H new ATOM 0 HE1 TYR A 614 -3.777 -0.566 -4.924 1.00 71.53 H new ATOM 0 HE2 TYR A 614 -7.581 -0.708 -3.032 1.00 75.13 H new ATOM 0 HH TYR A 614 -5.009 -2.429 -4.703 1.00 62.43 H new ATOM 523 N LYS A 615 -6.325 6.295 -2.783 1.00 43.05 N ATOM 524 CA LYS A 615 -6.262 7.630 -2.263 1.00 55.22 C ATOM 525 C LYS A 615 -7.004 7.765 -0.951 1.00 43.12 C ATOM 526 O LYS A 615 -8.188 7.498 -0.860 1.00 3.35 O ATOM 527 CB LYS A 615 -6.683 8.654 -3.335 1.00 22.35 C ATOM 528 CG LYS A 615 -8.085 8.481 -3.919 1.00 40.30 C ATOM 529 CD LYS A 615 -9.190 9.156 -3.100 1.00 32.02 C ATOM 530 CE LYS A 615 -8.968 10.658 -2.993 1.00 60.41 C ATOM 531 NZ LYS A 615 -10.107 11.343 -2.364 1.00 62.14 N ATOM 0 H LYS A 615 -7.268 5.920 -2.889 1.00 43.05 H new ATOM 0 HA LYS A 615 -5.225 7.858 -2.017 1.00 55.22 H new ATOM 0 HB2 LYS A 615 -6.613 9.652 -2.902 1.00 22.35 H new ATOM 0 HB3 LYS A 615 -5.963 8.610 -4.152 1.00 22.35 H new ATOM 0 HG2 LYS A 615 -8.098 8.886 -4.931 1.00 40.30 H new ATOM 0 HG3 LYS A 615 -8.305 7.416 -3.999 1.00 40.30 H new ATOM 0 HD2 LYS A 615 -10.157 8.962 -3.563 1.00 32.02 H new ATOM 0 HD3 LYS A 615 -9.222 8.720 -2.102 1.00 32.02 H new ATOM 0 HE2 LYS A 615 -8.065 10.850 -2.413 1.00 60.41 H new ATOM 0 HE3 LYS A 615 -8.802 11.071 -3.988 1.00 60.41 H new ATOM 0 HZ1 LYS A 615 -10.533 12.005 -3.044 1.00 62.14 H new ATOM 0 HZ2 LYS A 615 -10.817 10.641 -2.073 1.00 62.14 H new ATOM 0 HZ3 LYS A 615 -9.778 11.869 -1.529 1.00 62.14 H new ATOM 545 N VAL A 616 -6.293 8.154 0.058 1.00 11.23 N ATOM 546 CA VAL A 616 -6.848 8.299 1.383 1.00 75.42 C ATOM 547 C VAL A 616 -6.834 9.759 1.728 1.00 75.24 C ATOM 548 O VAL A 616 -5.783 10.355 1.765 1.00 21.53 O ATOM 549 CB VAL A 616 -5.962 7.570 2.425 1.00 1.31 C ATOM 550 CG1 VAL A 616 -6.618 7.540 3.801 1.00 74.10 C ATOM 551 CG2 VAL A 616 -5.583 6.180 1.952 1.00 1.33 C ATOM 0 H VAL A 616 -5.301 8.384 -0.005 1.00 11.23 H new ATOM 0 HA VAL A 616 -7.854 7.880 1.399 1.00 75.42 H new ATOM 0 HB VAL A 616 -5.039 8.142 2.525 1.00 1.31 H new ATOM 0 HG11 VAL A 616 -5.966 7.021 4.504 1.00 74.10 H new ATOM 0 HG12 VAL A 616 -6.785 8.560 4.147 1.00 74.10 H new ATOM 0 HG13 VAL A 616 -7.573 7.018 3.738 1.00 74.10 H new ATOM 0 HG21 VAL A 616 -4.962 5.696 2.706 1.00 1.33 H new ATOM 0 HG22 VAL A 616 -6.486 5.591 1.793 1.00 1.33 H new ATOM 0 HG23 VAL A 616 -5.028 6.253 1.017 1.00 1.33 H new ATOM 557 N GLU A 617 -7.962 10.339 1.969 1.00 43.12 N ATOM 558 CA GLU A 617 -7.979 11.733 2.331 1.00 44.21 C ATOM 559 C GLU A 617 -8.362 11.926 3.777 1.00 33.11 C ATOM 560 O GLU A 617 -9.196 11.185 4.330 1.00 11.24 O ATOM 561 CB GLU A 617 -8.868 12.581 1.414 1.00 14.34 C ATOM 562 CG GLU A 617 -10.335 12.197 1.397 1.00 65.11 C ATOM 563 CD GLU A 617 -11.156 13.149 0.570 1.00 63.40 C ATOM 564 OE1 GLU A 617 -11.179 13.003 -0.661 1.00 64.23 O ATOM 565 OE2 GLU A 617 -11.775 14.057 1.136 1.00 53.52 O ATOM 0 H GLU A 617 -8.875 9.886 1.925 1.00 43.12 H new ATOM 0 HA GLU A 617 -6.958 12.089 2.195 1.00 44.21 H new ATOM 0 HB2 GLU A 617 -8.786 13.624 1.719 1.00 14.34 H new ATOM 0 HB3 GLU A 617 -8.480 12.515 0.397 1.00 14.34 H new ATOM 0 HG2 GLU A 617 -10.441 11.187 1.000 1.00 65.11 H new ATOM 0 HG3 GLU A 617 -10.717 12.180 2.418 1.00 65.11 H new ATOM 572 N THR A 618 -7.726 12.872 4.386 1.00 42.31 N ATOM 573 CA THR A 618 -8.016 13.279 5.720 1.00 70.42 C ATOM 574 C THR A 618 -8.145 14.789 5.678 1.00 2.45 C ATOM 575 O THR A 618 -8.013 15.384 4.599 1.00 32.02 O ATOM 576 CB THR A 618 -6.876 12.872 6.709 1.00 11.45 C ATOM 577 OG1 THR A 618 -5.645 13.507 6.333 1.00 21.41 O ATOM 578 CG2 THR A 618 -6.672 11.361 6.719 1.00 1.33 C ATOM 0 H THR A 618 -6.967 13.399 3.955 1.00 42.31 H new ATOM 0 HA THR A 618 -8.926 12.796 6.076 1.00 70.42 H new ATOM 0 HB THR A 618 -7.171 13.196 7.707 1.00 11.45 H new ATOM 0 HG1 THR A 618 -5.343 13.151 5.471 1.00 21.41 H new ATOM 0 HG21 THR A 618 -5.873 11.106 7.416 1.00 1.33 H new ATOM 0 HG22 THR A 618 -7.595 10.871 7.030 1.00 1.33 H new ATOM 0 HG23 THR A 618 -6.402 11.024 5.718 1.00 1.33 H new ATOM 584 N ASP A 619 -8.378 15.414 6.801 1.00 24.50 N ATOM 585 CA ASP A 619 -8.483 16.871 6.838 1.00 44.14 C ATOM 586 C ASP A 619 -7.125 17.497 6.674 1.00 71.42 C ATOM 587 O ASP A 619 -6.995 18.646 6.261 1.00 44.13 O ATOM 588 CB ASP A 619 -9.110 17.368 8.143 1.00 2.44 C ATOM 589 CG ASP A 619 -10.522 16.905 8.342 1.00 53.34 C ATOM 590 OD1 ASP A 619 -11.431 17.452 7.701 1.00 21.12 O ATOM 591 OD2 ASP A 619 -10.750 15.992 9.149 1.00 53.22 O ATOM 0 H ASP A 619 -8.500 14.953 7.703 1.00 24.50 H new ATOM 0 HA ASP A 619 -9.132 17.165 6.013 1.00 44.14 H new ATOM 0 HB2 ASP A 619 -8.503 17.027 8.982 1.00 2.44 H new ATOM 0 HB3 ASP A 619 -9.088 18.458 8.156 1.00 2.44 H new ATOM 596 N LYS A 620 -6.114 16.740 6.992 1.00 23.14 N ATOM 597 CA LYS A 620 -4.768 17.229 6.942 1.00 42.11 C ATOM 598 C LYS A 620 -4.102 16.901 5.602 1.00 50.30 C ATOM 599 O LYS A 620 -3.672 17.810 4.868 1.00 4.25 O ATOM 600 CB LYS A 620 -3.966 16.661 8.125 1.00 73.42 C ATOM 601 CG LYS A 620 -4.556 17.019 9.503 1.00 44.22 C ATOM 602 CD LYS A 620 -4.547 18.531 9.767 1.00 42.32 C ATOM 603 CE LYS A 620 -3.130 19.073 9.924 1.00 21.34 C ATOM 604 NZ LYS A 620 -2.479 18.580 11.163 1.00 11.15 N ATOM 0 H LYS A 620 -6.200 15.769 7.292 1.00 23.14 H new ATOM 0 HA LYS A 620 -4.788 18.316 7.025 1.00 42.11 H new ATOM 0 HB2 LYS A 620 -3.917 15.576 8.032 1.00 73.42 H new ATOM 0 HB3 LYS A 620 -2.943 17.032 8.070 1.00 73.42 H new ATOM 0 HG2 LYS A 620 -5.579 16.648 9.565 1.00 44.22 H new ATOM 0 HG3 LYS A 620 -3.986 16.513 10.282 1.00 44.22 H new ATOM 0 HD2 LYS A 620 -5.044 19.046 8.945 1.00 42.32 H new ATOM 0 HD3 LYS A 620 -5.120 18.745 10.669 1.00 42.32 H new ATOM 0 HE2 LYS A 620 -2.533 18.781 9.060 1.00 21.34 H new ATOM 0 HE3 LYS A 620 -3.158 20.163 9.939 1.00 21.34 H new ATOM 0 HZ1 LYS A 620 -1.519 18.246 10.942 1.00 11.15 H new ATOM 0 HZ2 LYS A 620 -2.425 19.352 11.858 1.00 11.15 H new ATOM 0 HZ3 LYS A 620 -3.036 17.796 11.559 1.00 11.15 H new ATOM 618 N TYR A 621 -4.038 15.622 5.263 1.00 15.25 N ATOM 619 CA TYR A 621 -3.342 15.189 4.046 1.00 2.24 C ATOM 620 C TYR A 621 -4.149 14.156 3.273 1.00 35.45 C ATOM 621 O TYR A 621 -5.023 13.493 3.823 1.00 54.31 O ATOM 622 CB TYR A 621 -1.999 14.526 4.409 1.00 34.12 C ATOM 623 CG TYR A 621 -1.067 15.354 5.258 1.00 34.03 C ATOM 624 CD1 TYR A 621 -0.237 16.293 4.690 1.00 10.35 C ATOM 625 CD2 TYR A 621 -1.018 15.186 6.638 1.00 52.31 C ATOM 626 CE1 TYR A 621 0.616 17.046 5.461 1.00 25.34 C ATOM 627 CE2 TYR A 621 -0.168 15.937 7.416 1.00 4.03 C ATOM 628 CZ TYR A 621 0.648 16.870 6.816 1.00 25.24 C ATOM 629 OH TYR A 621 1.500 17.639 7.575 1.00 34.51 O ATOM 0 H TYR A 621 -4.455 14.865 5.805 1.00 15.25 H new ATOM 0 HA TYR A 621 -3.196 16.080 3.436 1.00 2.24 H new ATOM 0 HB2 TYR A 621 -2.206 13.593 4.934 1.00 34.12 H new ATOM 0 HB3 TYR A 621 -1.483 14.265 3.485 1.00 34.12 H new ATOM 0 HD1 TYR A 621 -0.256 16.441 3.620 1.00 10.35 H new ATOM 0 HD2 TYR A 621 -1.658 14.453 7.107 1.00 52.31 H new ATOM 0 HE1 TYR A 621 1.261 17.777 4.996 1.00 25.34 H new ATOM 0 HE2 TYR A 621 -0.141 15.796 8.486 1.00 4.03 H new ATOM 0 HH TYR A 621 1.406 17.397 8.520 1.00 34.51 H new ATOM 639 N GLU A 622 -3.870 14.036 2.006 1.00 53.34 N ATOM 640 CA GLU A 622 -4.389 12.952 1.230 1.00 63.05 C ATOM 641 C GLU A 622 -3.229 12.118 0.742 1.00 72.35 C ATOM 642 O GLU A 622 -2.262 12.636 0.196 1.00 21.33 O ATOM 643 CB GLU A 622 -5.284 13.398 0.075 1.00 25.12 C ATOM 644 CG GLU A 622 -4.629 14.311 -0.928 1.00 31.33 C ATOM 645 CD GLU A 622 -5.526 14.582 -2.080 1.00 3.05 C ATOM 646 OE1 GLU A 622 -6.523 15.304 -1.899 1.00 74.11 O ATOM 647 OE2 GLU A 622 -5.274 14.029 -3.177 1.00 0.33 O ATOM 0 H GLU A 622 -3.279 14.685 1.486 1.00 53.34 H new ATOM 0 HA GLU A 622 -5.040 12.358 1.871 1.00 63.05 H new ATOM 0 HB2 GLU A 622 -5.646 12.512 -0.446 1.00 25.12 H new ATOM 0 HB3 GLU A 622 -6.157 13.904 0.487 1.00 25.12 H new ATOM 0 HG2 GLU A 622 -4.360 15.251 -0.446 1.00 31.33 H new ATOM 0 HG3 GLU A 622 -3.703 13.859 -1.284 1.00 31.33 H new ATOM 654 N PHE A 623 -3.324 10.857 0.936 1.00 64.31 N ATOM 655 CA PHE A 623 -2.250 9.962 0.644 1.00 10.15 C ATOM 656 C PHE A 623 -2.595 9.126 -0.551 1.00 5.44 C ATOM 657 O PHE A 623 -3.678 8.566 -0.623 1.00 43.43 O ATOM 658 CB PHE A 623 -2.012 9.046 1.846 1.00 30.15 C ATOM 659 CG PHE A 623 -1.766 9.778 3.139 1.00 3.31 C ATOM 660 CD1 PHE A 623 -2.826 10.118 3.972 1.00 51.31 C ATOM 661 CD2 PHE A 623 -0.486 10.119 3.522 1.00 1.43 C ATOM 662 CE1 PHE A 623 -2.606 10.785 5.155 1.00 3.13 C ATOM 663 CE2 PHE A 623 -0.262 10.786 4.706 1.00 0.22 C ATOM 664 CZ PHE A 623 -1.321 11.119 5.524 1.00 11.21 C ATOM 0 H PHE A 623 -4.158 10.402 1.307 1.00 64.31 H new ATOM 0 HA PHE A 623 -1.350 10.539 0.434 1.00 10.15 H new ATOM 0 HB2 PHE A 623 -2.877 8.394 1.969 1.00 30.15 H new ATOM 0 HB3 PHE A 623 -1.156 8.404 1.636 1.00 30.15 H new ATOM 0 HD1 PHE A 623 -3.834 9.855 3.687 1.00 51.31 H new ATOM 0 HD2 PHE A 623 0.349 9.861 2.887 1.00 1.43 H new ATOM 0 HE1 PHE A 623 -3.438 11.046 5.792 1.00 3.13 H new ATOM 0 HE2 PHE A 623 0.745 11.049 4.994 1.00 0.22 H new ATOM 0 HZ PHE A 623 -1.144 11.641 6.453 1.00 11.21 H new ATOM 674 N HIS A 624 -1.711 9.071 -1.496 1.00 74.22 N ATOM 675 CA HIS A 624 -1.896 8.221 -2.631 1.00 61.24 C ATOM 676 C HIS A 624 -0.919 7.084 -2.487 1.00 42.43 C ATOM 677 O HIS A 624 0.293 7.308 -2.415 1.00 2.42 O ATOM 678 CB HIS A 624 -1.696 8.992 -3.949 1.00 73.41 C ATOM 679 CG HIS A 624 -2.686 10.126 -4.160 1.00 15.03 C ATOM 680 ND1 HIS A 624 -3.699 10.087 -5.092 1.00 1.12 N ATOM 681 CD2 HIS A 624 -2.788 11.349 -3.560 1.00 34.52 C ATOM 682 CE1 HIS A 624 -4.374 11.224 -5.055 1.00 74.25 C ATOM 683 NE2 HIS A 624 -3.845 11.999 -4.138 1.00 34.31 N ATOM 0 H HIS A 624 -0.845 9.610 -1.504 1.00 74.22 H new ATOM 0 HA HIS A 624 -2.916 7.839 -2.669 1.00 61.24 H new ATOM 0 HB2 HIS A 624 -0.685 9.398 -3.970 1.00 73.41 H new ATOM 0 HB3 HIS A 624 -1.777 8.294 -4.782 1.00 73.41 H new ATOM 0 HD2 HIS A 624 -2.153 11.732 -2.775 1.00 34.52 H new ATOM 0 HE1 HIS A 624 -5.221 11.473 -5.677 1.00 74.25 H new ATOM 0 HE2 HIS A 624 -4.169 12.935 -3.895 1.00 34.31 H new ATOM 692 N ILE A 625 -1.441 5.883 -2.405 1.00 71.11 N ATOM 693 CA ILE A 625 -0.644 4.700 -2.118 1.00 72.52 C ATOM 694 C ILE A 625 -0.917 3.624 -3.160 1.00 75.23 C ATOM 695 O ILE A 625 -2.008 3.562 -3.721 1.00 50.24 O ATOM 696 CB ILE A 625 -1.031 4.125 -0.718 1.00 63.52 C ATOM 697 CG1 ILE A 625 -0.908 5.204 0.360 1.00 12.34 C ATOM 698 CG2 ILE A 625 -0.165 2.917 -0.356 1.00 41.01 C ATOM 699 CD1 ILE A 625 -1.319 4.734 1.731 1.00 10.30 C ATOM 0 H ILE A 625 -2.434 5.692 -2.535 1.00 71.11 H new ATOM 0 HA ILE A 625 0.409 4.983 -2.134 1.00 72.52 H new ATOM 0 HB ILE A 625 -2.069 3.796 -0.770 1.00 63.52 H new ATOM 0 HG12 ILE A 625 0.124 5.552 0.398 1.00 12.34 H new ATOM 0 HG13 ILE A 625 -1.522 6.059 0.079 1.00 12.34 H new ATOM 0 HG21 ILE A 625 -0.458 2.539 0.624 1.00 41.01 H new ATOM 0 HG22 ILE A 625 -0.302 2.134 -1.102 1.00 41.01 H new ATOM 0 HG23 ILE A 625 0.883 3.215 -0.331 1.00 41.01 H new ATOM 0 HD11 ILE A 625 -1.206 5.550 2.444 1.00 10.30 H new ATOM 0 HD12 ILE A 625 -2.360 4.413 1.709 1.00 10.30 H new ATOM 0 HD13 ILE A 625 -0.688 3.898 2.033 1.00 10.30 H new ATOM 706 N ASN A 626 0.069 2.814 -3.434 1.00 71.43 N ATOM 707 CA ASN A 626 -0.078 1.696 -4.322 1.00 71.23 C ATOM 708 C ASN A 626 0.802 0.608 -3.767 1.00 63.43 C ATOM 709 O ASN A 626 1.782 0.914 -3.120 1.00 34.32 O ATOM 710 CB ASN A 626 0.310 2.104 -5.747 1.00 51.14 C ATOM 711 CG ASN A 626 -0.077 1.099 -6.794 1.00 15.14 C ATOM 712 OD1 ASN A 626 -0.954 0.254 -6.578 1.00 74.22 O ATOM 713 ND2 ASN A 626 0.486 1.245 -7.958 1.00 55.20 N ATOM 0 H ASN A 626 1.006 2.914 -3.043 1.00 71.43 H new ATOM 0 HA ASN A 626 -1.107 1.343 -4.385 1.00 71.23 H new ATOM 0 HB2 ASN A 626 -0.161 3.059 -5.982 1.00 51.14 H new ATOM 0 HB3 ASN A 626 1.388 2.261 -5.789 1.00 51.14 H new ATOM 0 HD21 ASN A 626 0.208 0.649 -8.738 1.00 55.20 H new ATOM 0 HD22 ASN A 626 1.206 1.956 -8.091 1.00 55.20 H new ATOM 719 N VAL A 627 0.449 -0.639 -3.972 1.00 51.35 N ATOM 720 CA VAL A 627 1.181 -1.748 -3.335 1.00 44.31 C ATOM 721 C VAL A 627 2.462 -2.119 -4.078 1.00 73.30 C ATOM 722 O VAL A 627 3.409 -2.647 -3.510 1.00 64.04 O ATOM 723 CB VAL A 627 0.254 -2.968 -3.096 1.00 32.24 C ATOM 724 CG1 VAL A 627 0.990 -4.142 -2.448 1.00 13.44 C ATOM 725 CG2 VAL A 627 -0.898 -2.527 -2.215 1.00 3.42 C ATOM 0 H VAL A 627 -0.329 -0.926 -4.565 1.00 51.35 H new ATOM 0 HA VAL A 627 1.508 -1.394 -2.357 1.00 44.31 H new ATOM 0 HB VAL A 627 -0.108 -3.320 -4.062 1.00 32.24 H new ATOM 0 HG11 VAL A 627 0.297 -4.970 -2.302 1.00 13.44 H new ATOM 0 HG12 VAL A 627 1.806 -4.462 -3.096 1.00 13.44 H new ATOM 0 HG13 VAL A 627 1.392 -3.832 -1.484 1.00 13.44 H new ATOM 0 HG21 VAL A 627 -1.563 -3.372 -2.035 1.00 3.42 H new ATOM 0 HG22 VAL A 627 -0.510 -2.162 -1.264 1.00 3.42 H new ATOM 0 HG23 VAL A 627 -1.451 -1.730 -2.711 1.00 3.42 H new ATOM 731 N CYS A 628 2.486 -1.813 -5.312 1.00 44.15 N ATOM 732 CA CYS A 628 3.634 -2.056 -6.131 1.00 55.22 C ATOM 733 C CYS A 628 3.727 -0.950 -7.138 1.00 14.32 C ATOM 734 O CYS A 628 2.705 -0.492 -7.645 1.00 4.32 O ATOM 735 CB CYS A 628 3.517 -3.407 -6.877 1.00 61.51 C ATOM 736 SG CYS A 628 3.401 -4.904 -5.822 1.00 34.01 S ATOM 0 H CYS A 628 1.705 -1.379 -5.804 1.00 44.15 H new ATOM 0 HA CYS A 628 4.521 -2.094 -5.499 1.00 55.22 H new ATOM 0 HB2 CYS A 628 2.636 -3.370 -7.518 1.00 61.51 H new ATOM 0 HB3 CYS A 628 4.383 -3.514 -7.531 1.00 61.51 H new ATOM 741 N GLY A 629 4.914 -0.528 -7.431 1.00 30.45 N ATOM 742 CA GLY A 629 5.111 0.454 -8.452 1.00 70.14 C ATOM 743 C GLY A 629 4.832 1.846 -7.965 1.00 13.22 C ATOM 744 O GLY A 629 4.930 2.118 -6.764 1.00 10.25 O ATOM 0 H GLY A 629 5.768 -0.849 -6.976 1.00 30.45 H new ATOM 0 HA2 GLY A 629 6.137 0.397 -8.814 1.00 70.14 H new ATOM 0 HA3 GLY A 629 4.461 0.230 -9.298 1.00 70.14 H new ATOM 748 N PRO A 630 4.503 2.759 -8.855 1.00 11.35 N ATOM 749 CA PRO A 630 4.245 4.125 -8.498 1.00 12.33 C ATOM 750 C PRO A 630 2.779 4.396 -8.222 1.00 21.33 C ATOM 751 O PRO A 630 1.898 3.560 -8.493 1.00 54.44 O ATOM 752 CB PRO A 630 4.692 4.877 -9.741 1.00 5.03 C ATOM 753 CG PRO A 630 4.408 3.943 -10.880 1.00 35.42 C ATOM 754 CD PRO A 630 4.366 2.544 -10.307 1.00 74.53 C ATOM 0 HA PRO A 630 4.757 4.414 -7.580 1.00 12.33 H new ATOM 0 HB2 PRO A 630 4.147 5.814 -9.853 1.00 5.03 H new ATOM 0 HB3 PRO A 630 5.751 5.129 -9.691 1.00 5.03 H new ATOM 0 HG2 PRO A 630 3.460 4.193 -11.356 1.00 35.42 H new ATOM 0 HG3 PRO A 630 5.180 4.023 -11.645 1.00 35.42 H new ATOM 0 HD2 PRO A 630 3.431 2.039 -10.551 1.00 74.53 H new ATOM 0 HD3 PRO A 630 5.174 1.926 -10.699 1.00 74.53 H new ATOM 762 N VAL A 631 2.527 5.549 -7.698 1.00 41.53 N ATOM 763 CA VAL A 631 1.186 6.008 -7.472 1.00 53.34 C ATOM 764 C VAL A 631 0.866 7.088 -8.455 1.00 14.51 C ATOM 765 O VAL A 631 1.680 7.983 -8.708 1.00 43.24 O ATOM 766 CB VAL A 631 0.971 6.562 -6.030 1.00 34.03 C ATOM 767 CG1 VAL A 631 1.152 5.480 -5.041 1.00 64.11 C ATOM 768 CG2 VAL A 631 1.916 7.715 -5.702 1.00 32.30 C ATOM 0 H VAL A 631 3.249 6.210 -7.410 1.00 41.53 H new ATOM 0 HA VAL A 631 0.526 5.149 -7.596 1.00 53.34 H new ATOM 0 HB VAL A 631 -0.048 6.947 -5.984 1.00 34.03 H new ATOM 0 HG11 VAL A 631 1.000 5.876 -4.037 1.00 64.11 H new ATOM 0 HG12 VAL A 631 0.428 4.688 -5.232 1.00 64.11 H new ATOM 0 HG13 VAL A 631 2.161 5.077 -5.123 1.00 64.11 H new ATOM 0 HG21 VAL A 631 1.725 8.064 -4.687 1.00 32.30 H new ATOM 0 HG22 VAL A 631 2.948 7.373 -5.780 1.00 32.30 H new ATOM 0 HG23 VAL A 631 1.750 8.532 -6.404 1.00 32.30 H new ATOM 774 N SER A 632 -0.276 6.990 -9.060 1.00 75.02 N ATOM 775 CA SER A 632 -0.661 8.022 -9.974 1.00 1.14 C ATOM 776 C SER A 632 -1.217 9.216 -9.204 1.00 53.04 C ATOM 777 O SER A 632 -2.157 9.081 -8.402 1.00 32.42 O ATOM 778 CB SER A 632 -1.679 7.474 -10.955 1.00 71.35 C ATOM 779 OG SER A 632 -1.135 6.348 -11.633 1.00 4.10 O ATOM 0 H SER A 632 -0.944 6.228 -8.944 1.00 75.02 H new ATOM 0 HA SER A 632 0.208 8.362 -10.537 1.00 1.14 H new ATOM 0 HB2 SER A 632 -2.589 7.188 -10.428 1.00 71.35 H new ATOM 0 HB3 SER A 632 -1.956 8.245 -11.674 1.00 71.35 H new ATOM 0 HG SER A 632 -1.847 5.700 -11.814 1.00 4.10 H new ATOM 785 N VAL A 633 -0.634 10.379 -9.453 1.00 34.05 N ATOM 786 CA VAL A 633 -1.019 11.636 -8.820 1.00 73.04 C ATOM 787 C VAL A 633 -0.625 12.731 -9.807 1.00 61.11 C ATOM 788 O VAL A 633 0.163 12.472 -10.719 1.00 43.13 O ATOM 789 CB VAL A 633 -0.221 11.913 -7.479 1.00 15.20 C ATOM 790 CG1 VAL A 633 -0.820 13.073 -6.690 1.00 53.13 C ATOM 791 CG2 VAL A 633 -0.088 10.688 -6.598 1.00 21.53 C ATOM 0 H VAL A 633 0.136 10.480 -10.114 1.00 34.05 H new ATOM 0 HA VAL A 633 -2.081 11.604 -8.577 1.00 73.04 H new ATOM 0 HB VAL A 633 0.785 12.191 -7.794 1.00 15.20 H new ATOM 0 HG11 VAL A 633 -0.243 13.229 -5.778 1.00 53.13 H new ATOM 0 HG12 VAL A 633 -0.792 13.978 -7.297 1.00 53.13 H new ATOM 0 HG13 VAL A 633 -1.853 12.842 -6.431 1.00 53.13 H new ATOM 0 HG21 VAL A 633 0.468 10.946 -5.697 1.00 21.53 H new ATOM 0 HG22 VAL A 633 -1.079 10.329 -6.322 1.00 21.53 H new ATOM 0 HG23 VAL A 633 0.443 9.906 -7.140 1.00 21.53 H new ATOM 797 N GLY A 634 -1.154 13.914 -9.650 1.00 31.04 N ATOM 798 CA GLY A 634 -0.761 15.003 -10.503 1.00 13.30 C ATOM 799 C GLY A 634 0.402 15.784 -9.919 1.00 1.24 C ATOM 800 O GLY A 634 1.277 16.244 -10.648 1.00 64.30 O ATOM 0 H GLY A 634 -1.853 14.148 -8.945 1.00 31.04 H new ATOM 0 HA2 GLY A 634 -0.483 14.615 -11.483 1.00 13.30 H new ATOM 0 HA3 GLY A 634 -1.609 15.671 -10.653 1.00 13.30 H new ATOM 804 N ALA A 635 0.424 15.897 -8.600 1.00 41.12 N ATOM 805 CA ALA A 635 1.435 16.693 -7.891 1.00 61.42 C ATOM 806 C ALA A 635 2.624 15.851 -7.410 1.00 31.30 C ATOM 807 O ALA A 635 3.486 16.341 -6.675 1.00 64.23 O ATOM 808 CB ALA A 635 0.791 17.393 -6.702 1.00 54.52 C ATOM 0 H ALA A 635 -0.253 15.444 -7.985 1.00 41.12 H new ATOM 0 HA ALA A 635 1.824 17.424 -8.600 1.00 61.42 H new ATOM 0 HB1 ALA A 635 1.542 17.983 -6.177 1.00 54.52 H new ATOM 0 HB2 ALA A 635 -0.005 18.049 -7.054 1.00 54.52 H new ATOM 0 HB3 ALA A 635 0.375 16.649 -6.023 1.00 54.52 H new ATOM 814 N CYS A 636 2.689 14.617 -7.827 1.00 53.14 N ATOM 815 CA CYS A 636 3.754 13.738 -7.379 1.00 22.34 C ATOM 816 C CYS A 636 4.419 13.091 -8.569 1.00 23.20 C ATOM 817 O CYS A 636 3.747 12.793 -9.561 1.00 63.43 O ATOM 818 CB CYS A 636 3.200 12.660 -6.447 1.00 14.51 C ATOM 819 SG CYS A 636 2.307 13.315 -4.998 1.00 44.14 S ATOM 0 H CYS A 636 2.025 14.191 -8.473 1.00 53.14 H new ATOM 0 HA CYS A 636 4.488 14.330 -6.833 1.00 22.34 H new ATOM 0 HB2 CYS A 636 2.528 12.015 -7.014 1.00 14.51 H new ATOM 0 HB3 CYS A 636 4.024 12.036 -6.101 1.00 14.51 H new ATOM 824 N PRO A 637 5.747 12.876 -8.509 1.00 60.41 N ATOM 825 CA PRO A 637 6.483 12.235 -9.596 1.00 52.04 C ATOM 826 C PRO A 637 6.011 10.790 -9.795 1.00 74.30 C ATOM 827 O PRO A 637 5.744 10.077 -8.811 1.00 40.22 O ATOM 828 CB PRO A 637 7.947 12.260 -9.111 1.00 75.03 C ATOM 829 CG PRO A 637 7.858 12.413 -7.632 1.00 72.30 C ATOM 830 CD PRO A 637 6.632 13.236 -7.378 1.00 51.42 C ATOM 0 HA PRO A 637 6.341 12.737 -10.553 1.00 52.04 H new ATOM 0 HB2 PRO A 637 8.469 11.342 -9.383 1.00 75.03 H new ATOM 0 HB3 PRO A 637 8.498 13.086 -9.561 1.00 75.03 H new ATOM 0 HG2 PRO A 637 7.785 11.442 -7.142 1.00 72.30 H new ATOM 0 HG3 PRO A 637 8.747 12.904 -7.236 1.00 72.30 H new ATOM 0 HD2 PRO A 637 6.177 12.995 -6.417 1.00 51.42 H new ATOM 0 HD3 PRO A 637 6.857 14.302 -7.366 1.00 51.42 H new ATOM 838 N PRO A 638 5.928 10.323 -11.053 1.00 74.45 N ATOM 839 CA PRO A 638 5.439 8.963 -11.391 1.00 24.32 C ATOM 840 C PRO A 638 6.432 7.838 -11.019 1.00 35.03 C ATOM 841 O PRO A 638 6.442 6.772 -11.641 1.00 54.25 O ATOM 842 CB PRO A 638 5.261 9.032 -12.913 1.00 1.25 C ATOM 843 CG PRO A 638 6.241 10.052 -13.356 1.00 40.05 C ATOM 844 CD PRO A 638 6.284 11.087 -12.268 1.00 4.53 C ATOM 0 HA PRO A 638 4.534 8.716 -10.837 1.00 24.32 H new ATOM 0 HB2 PRO A 638 5.455 8.066 -13.379 1.00 1.25 H new ATOM 0 HB3 PRO A 638 4.244 9.317 -13.181 1.00 1.25 H new ATOM 0 HG2 PRO A 638 7.224 9.607 -13.510 1.00 40.05 H new ATOM 0 HG3 PRO A 638 5.940 10.496 -14.305 1.00 40.05 H new ATOM 0 HD2 PRO A 638 7.272 11.539 -12.183 1.00 4.53 H new ATOM 0 HD3 PRO A 638 5.578 11.896 -12.455 1.00 4.53 H new ATOM 852 N ASP A 639 7.239 8.079 -10.004 1.00 72.14 N ATOM 853 CA ASP A 639 8.174 7.088 -9.487 1.00 44.12 C ATOM 854 C ASP A 639 8.078 7.053 -7.949 1.00 3.21 C ATOM 855 O ASP A 639 8.866 6.411 -7.255 1.00 2.05 O ATOM 856 CB ASP A 639 9.607 7.375 -9.979 1.00 73.54 C ATOM 857 CG ASP A 639 10.632 6.350 -9.507 1.00 4.11 C ATOM 858 OD1 ASP A 639 10.476 5.136 -9.808 1.00 53.35 O ATOM 859 OD2 ASP A 639 11.624 6.751 -8.877 1.00 44.03 O ATOM 0 H ASP A 639 7.268 8.971 -9.510 1.00 72.14 H new ATOM 0 HA ASP A 639 7.910 6.101 -9.866 1.00 44.12 H new ATOM 0 HB2 ASP A 639 9.609 7.403 -11.069 1.00 73.54 H new ATOM 0 HB3 ASP A 639 9.909 8.364 -9.634 1.00 73.54 H new ATOM 864 N SER A 640 7.084 7.743 -7.427 1.00 31.42 N ATOM 865 CA SER A 640 6.815 7.698 -6.017 1.00 73.40 C ATOM 866 C SER A 640 5.773 6.620 -5.785 1.00 15.02 C ATOM 867 O SER A 640 4.786 6.550 -6.517 1.00 50.43 O ATOM 868 CB SER A 640 6.340 9.076 -5.499 1.00 62.45 C ATOM 869 OG SER A 640 5.185 9.547 -6.190 1.00 54.42 O ATOM 0 H SER A 640 6.454 8.339 -7.963 1.00 31.42 H new ATOM 0 HA SER A 640 7.722 7.460 -5.461 1.00 73.40 H new ATOM 0 HB2 SER A 640 6.119 9.004 -4.434 1.00 62.45 H new ATOM 0 HB3 SER A 640 7.147 9.801 -5.609 1.00 62.45 H new ATOM 0 HG SER A 640 5.429 9.790 -7.107 1.00 54.42 H new ATOM 875 N GLY A 641 5.991 5.760 -4.821 1.00 64.55 N ATOM 876 CA GLY A 641 5.056 4.676 -4.612 1.00 61.52 C ATOM 877 C GLY A 641 4.109 4.955 -3.481 1.00 2.03 C ATOM 878 O GLY A 641 3.220 4.158 -3.176 1.00 31.42 O ATOM 0 H GLY A 641 6.786 5.784 -4.182 1.00 64.55 H new ATOM 0 HA2 GLY A 641 4.488 4.507 -5.527 1.00 61.52 H new ATOM 0 HA3 GLY A 641 5.606 3.758 -4.405 1.00 61.52 H new ATOM 882 N ALA A 642 4.325 6.080 -2.848 1.00 3.22 N ATOM 883 CA ALA A 642 3.449 6.615 -1.839 1.00 60.10 C ATOM 884 C ALA A 642 3.687 8.112 -1.788 1.00 45.53 C ATOM 885 O ALA A 642 4.824 8.546 -1.635 1.00 64.03 O ATOM 886 CB ALA A 642 3.731 5.972 -0.485 1.00 24.20 C ATOM 0 H ALA A 642 5.140 6.666 -3.027 1.00 3.22 H new ATOM 0 HA ALA A 642 2.408 6.403 -2.080 1.00 60.10 H new ATOM 0 HB1 ALA A 642 3.058 6.390 0.264 1.00 24.20 H new ATOM 0 HB2 ALA A 642 3.573 4.896 -0.553 1.00 24.20 H new ATOM 0 HB3 ALA A 642 4.763 6.170 -0.196 1.00 24.20 H new ATOM 892 N CYS A 643 2.658 8.899 -1.960 1.00 50.11 N ATOM 893 CA CYS A 643 2.820 10.354 -1.953 1.00 4.24 C ATOM 894 C CYS A 643 1.613 11.041 -1.337 1.00 73.10 C ATOM 895 O CYS A 643 0.470 10.664 -1.613 1.00 64.02 O ATOM 896 CB CYS A 643 3.074 10.881 -3.361 1.00 23.24 C ATOM 897 SG CYS A 643 3.414 12.674 -3.442 1.00 10.22 S ATOM 0 H CYS A 643 1.702 8.575 -2.106 1.00 50.11 H new ATOM 0 HA CYS A 643 3.689 10.585 -1.337 1.00 4.24 H new ATOM 0 HB2 CYS A 643 3.919 10.343 -3.791 1.00 23.24 H new ATOM 0 HB3 CYS A 643 2.206 10.659 -3.982 1.00 23.24 H new ATOM 902 N GLN A 644 1.860 12.020 -0.495 1.00 30.42 N ATOM 903 CA GLN A 644 0.797 12.745 0.155 1.00 13.22 C ATOM 904 C GLN A 644 0.703 14.162 -0.352 1.00 53.41 C ATOM 905 O GLN A 644 1.720 14.818 -0.623 1.00 62.11 O ATOM 906 CB GLN A 644 0.966 12.768 1.674 1.00 33.50 C ATOM 907 CG GLN A 644 2.212 13.463 2.158 1.00 43.33 C ATOM 908 CD GLN A 644 2.308 13.472 3.652 1.00 61.03 C ATOM 909 OE1 GLN A 644 1.311 13.482 4.346 1.00 15.11 O ATOM 910 NE2 GLN A 644 3.491 13.472 4.159 1.00 13.04 N ATOM 0 H GLN A 644 2.798 12.333 -0.244 1.00 30.42 H new ATOM 0 HA GLN A 644 -0.124 12.215 -0.087 1.00 13.22 H new ATOM 0 HB2 GLN A 644 0.098 13.258 2.115 1.00 33.50 H new ATOM 0 HB3 GLN A 644 0.973 11.742 2.041 1.00 33.50 H new ATOM 0 HG2 GLN A 644 3.088 12.966 1.742 1.00 43.33 H new ATOM 0 HG3 GLN A 644 2.221 14.488 1.788 1.00 43.33 H new ATOM 0 HE21 GLN A 644 4.308 13.463 3.548 1.00 13.04 H new ATOM 0 HE22 GLN A 644 3.612 13.481 5.172 1.00 13.04 H new ATOM 918 N VAL A 645 -0.495 14.616 -0.489 1.00 4.42 N ATOM 919 CA VAL A 645 -0.768 15.968 -0.844 1.00 43.54 C ATOM 920 C VAL A 645 -1.532 16.573 0.316 1.00 51.25 C ATOM 921 O VAL A 645 -2.565 16.054 0.718 1.00 33.23 O ATOM 922 CB VAL A 645 -1.618 16.073 -2.144 1.00 10.24 C ATOM 923 CG1 VAL A 645 -1.858 17.530 -2.519 1.00 65.25 C ATOM 924 CG2 VAL A 645 -0.947 15.330 -3.297 1.00 53.12 C ATOM 0 H VAL A 645 -1.331 14.047 -0.355 1.00 4.42 H new ATOM 0 HA VAL A 645 0.167 16.493 -1.040 1.00 43.54 H new ATOM 0 HB VAL A 645 -2.583 15.604 -1.950 1.00 10.24 H new ATOM 0 HG11 VAL A 645 -2.454 17.578 -3.430 1.00 65.25 H new ATOM 0 HG12 VAL A 645 -2.391 18.031 -1.711 1.00 65.25 H new ATOM 0 HG13 VAL A 645 -0.901 18.025 -2.685 1.00 65.25 H new ATOM 0 HG21 VAL A 645 -1.561 15.419 -4.193 1.00 53.12 H new ATOM 0 HG22 VAL A 645 0.036 15.763 -3.486 1.00 53.12 H new ATOM 0 HG23 VAL A 645 -0.836 14.278 -3.036 1.00 53.12 H new ATOM 930 N SER A 646 -1.011 17.607 0.884 1.00 61.33 N ATOM 931 CA SER A 646 -1.653 18.235 1.990 1.00 24.13 C ATOM 932 C SER A 646 -2.854 19.014 1.517 1.00 31.40 C ATOM 933 O SER A 646 -2.901 19.484 0.383 1.00 24.42 O ATOM 934 CB SER A 646 -0.685 19.141 2.747 1.00 34.32 C ATOM 935 OG SER A 646 -1.313 19.764 3.852 1.00 2.24 O ATOM 0 H SER A 646 -0.133 18.040 0.597 1.00 61.33 H new ATOM 0 HA SER A 646 -1.987 17.459 2.679 1.00 24.13 H new ATOM 0 HB2 SER A 646 0.167 18.556 3.094 1.00 34.32 H new ATOM 0 HB3 SER A 646 -0.295 19.903 2.072 1.00 34.32 H new ATOM 0 HG SER A 646 -2.027 19.185 4.192 1.00 2.24 H new ATOM 941 N ARG A 647 -3.816 19.124 2.367 1.00 2.24 N ATOM 942 CA ARG A 647 -5.007 19.857 2.076 1.00 71.55 C ATOM 943 C ARG A 647 -5.044 21.094 2.958 1.00 71.55 C ATOM 944 O ARG A 647 -5.631 22.117 2.607 1.00 71.22 O ATOM 945 CB ARG A 647 -6.207 18.931 2.266 1.00 60.23 C ATOM 946 CG ARG A 647 -6.119 17.732 1.321 1.00 43.21 C ATOM 947 CD ARG A 647 -7.164 16.670 1.572 1.00 75.03 C ATOM 948 NE ARG A 647 -8.534 17.139 1.401 1.00 22.21 N ATOM 949 CZ ARG A 647 -9.423 16.547 0.600 1.00 13.12 C ATOM 950 NH1 ARG A 647 -9.008 15.691 -0.348 1.00 35.35 N ATOM 951 NH2 ARG A 647 -10.708 16.861 0.679 1.00 63.01 N ATOM 0 H ARG A 647 -3.801 18.704 3.296 1.00 2.24 H new ATOM 0 HA ARG A 647 -5.034 20.204 1.043 1.00 71.55 H new ATOM 0 HB2 ARG A 647 -6.245 18.584 3.299 1.00 60.23 H new ATOM 0 HB3 ARG A 647 -7.130 19.480 2.080 1.00 60.23 H new ATOM 0 HG2 ARG A 647 -6.214 18.085 0.294 1.00 43.21 H new ATOM 0 HG3 ARG A 647 -5.130 17.282 1.413 1.00 43.21 H new ATOM 0 HD2 ARG A 647 -6.989 15.834 0.895 1.00 75.03 H new ATOM 0 HD3 ARG A 647 -7.045 16.289 2.586 1.00 75.03 H new ATOM 0 HE ARG A 647 -8.829 17.965 1.922 1.00 22.21 H new ATOM 0 HH11 ARG A 647 -8.013 15.493 -0.456 1.00 35.35 H new ATOM 0 HH12 ARG A 647 -9.688 15.239 -0.960 1.00 35.35 H new ATOM 0 HH21 ARG A 647 -11.022 17.558 1.354 1.00 63.01 H new ATOM 0 HH22 ARG A 647 -11.383 16.406 0.065 1.00 63.01 H new ATOM 963 N SER A 648 -4.369 21.001 4.098 1.00 15.43 N ATOM 964 CA SER A 648 -4.234 22.123 4.994 1.00 72.13 C ATOM 965 C SER A 648 -3.072 23.030 4.538 1.00 31.34 C ATOM 966 O SER A 648 -3.182 24.262 4.548 1.00 32.02 O ATOM 967 CB SER A 648 -4.005 21.620 6.437 1.00 10.11 C ATOM 968 OG SER A 648 -3.876 22.692 7.360 1.00 64.14 O ATOM 0 H SER A 648 -3.907 20.150 4.417 1.00 15.43 H new ATOM 0 HA SER A 648 -5.153 22.709 4.975 1.00 72.13 H new ATOM 0 HB2 SER A 648 -4.838 20.983 6.735 1.00 10.11 H new ATOM 0 HB3 SER A 648 -3.106 21.005 6.468 1.00 10.11 H new ATOM 0 HG SER A 648 -3.734 22.333 8.261 1.00 64.14 H new ATOM 974 N ASP A 649 -1.966 22.417 4.111 1.00 62.44 N ATOM 975 CA ASP A 649 -0.790 23.184 3.679 1.00 60.04 C ATOM 976 C ASP A 649 -0.645 23.139 2.180 1.00 32.34 C ATOM 977 O ASP A 649 0.146 23.871 1.607 1.00 64.21 O ATOM 978 CB ASP A 649 0.503 22.619 4.292 1.00 54.14 C ATOM 979 CG ASP A 649 0.505 22.586 5.791 1.00 33.42 C ATOM 980 OD1 ASP A 649 0.547 23.654 6.426 1.00 42.11 O ATOM 981 OD2 ASP A 649 0.458 21.484 6.363 1.00 3.12 O ATOM 0 H ASP A 649 -1.857 21.404 4.054 1.00 62.44 H new ATOM 0 HA ASP A 649 -0.942 24.209 4.016 1.00 60.04 H new ATOM 0 HB2 ASP A 649 0.659 21.608 3.917 1.00 54.14 H new ATOM 0 HB3 ASP A 649 1.347 23.219 3.951 1.00 54.14 H new ATOM 986 N ARG A 650 -1.430 22.273 1.555 1.00 44.25 N ATOM 987 CA ARG A 650 -1.415 22.023 0.101 1.00 5.21 C ATOM 988 C ARG A 650 -0.006 21.715 -0.463 1.00 1.41 C ATOM 989 O ARG A 650 0.242 21.855 -1.656 1.00 62.01 O ATOM 990 CB ARG A 650 -2.077 23.173 -0.620 1.00 62.24 C ATOM 991 CG ARG A 650 -3.521 23.349 -0.206 1.00 71.44 C ATOM 992 CD ARG A 650 -4.140 24.509 -0.903 1.00 61.04 C ATOM 993 NE ARG A 650 -5.546 24.697 -0.530 1.00 33.31 N ATOM 994 CZ ARG A 650 -6.454 25.332 -1.281 1.00 23.53 C ATOM 995 NH1 ARG A 650 -6.153 25.701 -2.526 1.00 12.02 N ATOM 996 NH2 ARG A 650 -7.675 25.542 -0.802 1.00 61.45 N ATOM 0 H ARG A 650 -2.117 21.704 2.049 1.00 44.25 H new ATOM 0 HA ARG A 650 -1.988 21.113 -0.078 1.00 5.21 H new ATOM 0 HB2 ARG A 650 -1.528 24.092 -0.417 1.00 62.24 H new ATOM 0 HB3 ARG A 650 -2.027 23.003 -1.695 1.00 62.24 H new ATOM 0 HG2 ARG A 650 -4.081 22.442 -0.434 1.00 71.44 H new ATOM 0 HG3 ARG A 650 -3.578 23.496 0.873 1.00 71.44 H new ATOM 0 HD2 ARG A 650 -3.580 25.413 -0.666 1.00 61.04 H new ATOM 0 HD3 ARG A 650 -4.069 24.363 -1.981 1.00 61.04 H new ATOM 0 HE ARG A 650 -5.854 24.317 0.365 1.00 33.31 H new ATOM 0 HH11 ARG A 650 -5.229 25.500 -2.908 1.00 12.02 H new ATOM 0 HH12 ARG A 650 -6.847 26.185 -3.096 1.00 12.02 H new ATOM 0 HH21 ARG A 650 -7.918 25.220 0.135 1.00 61.45 H new ATOM 0 HH22 ARG A 650 -8.370 26.026 -1.371 1.00 61.45 H new ATOM 1008 N LYS A 651 0.872 21.224 0.392 1.00 31.25 N ATOM 1009 CA LYS A 651 2.221 20.841 -0.004 1.00 33.43 C ATOM 1010 C LYS A 651 2.245 19.364 -0.309 1.00 13.54 C ATOM 1011 O LYS A 651 1.279 18.661 -0.020 1.00 14.44 O ATOM 1012 CB LYS A 651 3.203 21.161 1.117 1.00 22.03 C ATOM 1013 CG LYS A 651 3.215 22.620 1.471 1.00 24.13 C ATOM 1014 CD LYS A 651 4.035 22.907 2.710 1.00 24.11 C ATOM 1015 CE LYS A 651 3.942 24.374 3.085 1.00 31.43 C ATOM 1016 NZ LYS A 651 4.702 24.685 4.311 1.00 24.42 N ATOM 0 H LYS A 651 0.673 21.078 1.382 1.00 31.25 H new ATOM 0 HA LYS A 651 2.514 21.400 -0.893 1.00 33.43 H new ATOM 0 HB2 LYS A 651 2.943 20.578 2.001 1.00 22.03 H new ATOM 0 HB3 LYS A 651 4.205 20.855 0.816 1.00 22.03 H new ATOM 0 HG2 LYS A 651 3.616 23.191 0.633 1.00 24.13 H new ATOM 0 HG3 LYS A 651 2.192 22.961 1.629 1.00 24.13 H new ATOM 0 HD2 LYS A 651 3.681 22.292 3.537 1.00 24.11 H new ATOM 0 HD3 LYS A 651 5.076 22.637 2.534 1.00 24.11 H new ATOM 0 HE2 LYS A 651 4.318 24.982 2.262 1.00 31.43 H new ATOM 0 HE3 LYS A 651 2.896 24.645 3.229 1.00 31.43 H new ATOM 0 HZ1 LYS A 651 4.610 25.698 4.529 1.00 24.42 H new ATOM 0 HZ2 LYS A 651 4.327 24.125 5.103 1.00 24.42 H new ATOM 0 HZ3 LYS A 651 5.705 24.452 4.166 1.00 24.42 H new ATOM 1030 N SER A 652 3.317 18.896 -0.852 1.00 2.41 N ATOM 1031 CA SER A 652 3.404 17.503 -1.242 1.00 54.11 C ATOM 1032 C SER A 652 4.712 16.862 -0.769 1.00 52.14 C ATOM 1033 O SER A 652 5.772 17.505 -0.763 1.00 32.25 O ATOM 1034 CB SER A 652 3.252 17.386 -2.763 1.00 73.14 C ATOM 1035 OG SER A 652 2.010 17.956 -3.194 1.00 53.53 O ATOM 0 H SER A 652 4.154 19.447 -1.042 1.00 2.41 H new ATOM 0 HA SER A 652 2.593 16.959 -0.759 1.00 54.11 H new ATOM 0 HB2 SER A 652 4.081 17.893 -3.256 1.00 73.14 H new ATOM 0 HB3 SER A 652 3.299 16.338 -3.058 1.00 73.14 H new ATOM 0 HG SER A 652 1.699 17.491 -3.999 1.00 53.53 H new ATOM 1041 N TRP A 653 4.629 15.608 -0.363 1.00 2.11 N ATOM 1042 CA TRP A 653 5.789 14.845 0.096 1.00 30.15 C ATOM 1043 C TRP A 653 5.719 13.478 -0.444 1.00 71.11 C ATOM 1044 O TRP A 653 4.643 12.902 -0.609 1.00 4.23 O ATOM 1045 CB TRP A 653 5.876 14.717 1.623 1.00 25.13 C ATOM 1046 CG TRP A 653 6.029 15.974 2.402 1.00 15.01 C ATOM 1047 CD1 TRP A 653 7.182 16.499 2.894 1.00 45.02 C ATOM 1048 CD2 TRP A 653 4.989 16.842 2.803 1.00 20.02 C ATOM 1049 NE1 TRP A 653 6.912 17.637 3.595 1.00 3.11 N ATOM 1050 CE2 TRP A 653 5.564 17.880 3.542 1.00 31.23 C ATOM 1051 CE3 TRP A 653 3.624 16.835 2.600 1.00 61.10 C ATOM 1052 CZ2 TRP A 653 4.803 18.910 4.089 1.00 74.54 C ATOM 1053 CZ3 TRP A 653 2.870 17.831 3.123 1.00 70.21 C ATOM 1054 CH2 TRP A 653 3.451 18.869 3.866 1.00 2.04 C ATOM 0 H TRP A 653 3.755 15.083 -0.340 1.00 2.11 H new ATOM 0 HA TRP A 653 6.664 15.392 -0.254 1.00 30.15 H new ATOM 0 HB2 TRP A 653 4.976 14.211 1.972 1.00 25.13 H new ATOM 0 HB3 TRP A 653 6.719 14.068 1.860 1.00 25.13 H new ATOM 0 HD1 TRP A 653 8.166 16.077 2.751 1.00 45.02 H new ATOM 0 HE1 TRP A 653 7.600 18.213 4.079 1.00 3.11 H new ATOM 0 HE3 TRP A 653 3.162 16.043 2.030 1.00 61.10 H new ATOM 0 HZ2 TRP A 653 5.257 19.705 4.663 1.00 74.54 H new ATOM 0 HZ3 TRP A 653 1.802 17.826 2.965 1.00 70.21 H new ATOM 0 HH2 TRP A 653 2.823 19.649 4.269 1.00 2.04 H new ATOM 1065 N ASN A 654 6.847 12.965 -0.679 1.00 52.43 N ATOM 1066 CA ASN A 654 7.024 11.665 -1.183 1.00 25.12 C ATOM 1067 C ASN A 654 7.258 10.770 0.018 1.00 34.34 C ATOM 1068 O ASN A 654 8.106 11.066 0.856 1.00 52.51 O ATOM 1069 CB ASN A 654 8.244 11.738 -2.059 1.00 41.12 C ATOM 1070 CG ASN A 654 8.518 10.556 -2.906 1.00 60.54 C ATOM 1071 OD1 ASN A 654 8.230 9.419 -2.560 1.00 52.33 O ATOM 1072 ND2 ASN A 654 9.049 10.846 -4.050 1.00 70.21 N ATOM 0 H ASN A 654 7.724 13.460 -0.519 1.00 52.43 H new ATOM 0 HA ASN A 654 6.180 11.280 -1.754 1.00 25.12 H new ATOM 0 HB2 ASN A 654 8.147 12.608 -2.708 1.00 41.12 H new ATOM 0 HB3 ASN A 654 9.112 11.911 -1.422 1.00 41.12 H new ATOM 0 HD21 ASN A 654 9.250 10.105 -4.721 1.00 70.21 H new ATOM 0 HD22 ASN A 654 9.266 11.816 -4.280 1.00 70.21 H new ATOM 1078 N LEU A 655 6.497 9.722 0.132 1.00 31.24 N ATOM 1079 CA LEU A 655 6.582 8.829 1.275 1.00 24.03 C ATOM 1080 C LEU A 655 7.451 7.648 0.962 1.00 54.53 C ATOM 1081 O LEU A 655 7.680 6.785 1.808 1.00 63.34 O ATOM 1082 CB LEU A 655 5.190 8.372 1.759 1.00 13.42 C ATOM 1083 CG LEU A 655 4.240 9.454 2.324 1.00 74.21 C ATOM 1084 CD1 LEU A 655 3.787 10.387 1.283 1.00 72.20 C ATOM 1085 CD2 LEU A 655 3.054 8.858 3.051 1.00 14.41 C ATOM 0 H LEU A 655 5.796 9.452 -0.559 1.00 31.24 H new ATOM 0 HA LEU A 655 7.038 9.390 2.091 1.00 24.03 H new ATOM 0 HB2 LEU A 655 4.687 7.885 0.924 1.00 13.42 H new ATOM 0 HB3 LEU A 655 5.334 7.615 2.530 1.00 13.42 H new ATOM 0 HG LEU A 655 4.826 10.016 3.051 1.00 74.21 H new ATOM 0 HD11 LEU A 655 3.122 11.130 1.724 1.00 72.20 H new ATOM 0 HD12 LEU A 655 4.649 10.888 0.843 1.00 72.20 H new ATOM 0 HD13 LEU A 655 3.253 9.837 0.508 1.00 72.20 H new ATOM 0 HD21 LEU A 655 2.418 9.659 3.428 1.00 14.41 H new ATOM 0 HD22 LEU A 655 2.482 8.234 2.364 1.00 14.41 H new ATOM 0 HD23 LEU A 655 3.406 8.251 3.885 1.00 14.41 H new ATOM 1093 N GLY A 656 7.939 7.613 -0.245 1.00 54.44 N ATOM 1094 CA GLY A 656 8.817 6.584 -0.624 1.00 23.33 C ATOM 1095 C GLY A 656 8.832 6.367 -2.093 1.00 53.14 C ATOM 1096 O GLY A 656 7.777 6.375 -2.756 1.00 10.14 O ATOM 0 H GLY A 656 7.733 8.296 -0.974 1.00 54.44 H new ATOM 0 HA2 GLY A 656 9.824 6.826 -0.285 1.00 23.33 H new ATOM 0 HA3 GLY A 656 8.526 5.659 -0.126 1.00 23.33 H new ATOM 1100 N ARG A 657 10.011 6.183 -2.608 1.00 4.32 N ATOM 1101 CA ARG A 657 10.211 5.945 -3.995 1.00 51.22 C ATOM 1102 C ARG A 657 9.844 4.506 -4.267 1.00 61.42 C ATOM 1103 O ARG A 657 10.231 3.629 -3.507 1.00 71.50 O ATOM 1104 CB ARG A 657 11.664 6.241 -4.361 1.00 52.53 C ATOM 1105 CG ARG A 657 11.984 6.102 -5.829 1.00 23.42 C ATOM 1106 CD ARG A 657 13.407 6.547 -6.128 1.00 54.35 C ATOM 1107 NE ARG A 657 14.422 5.745 -5.426 1.00 3.55 N ATOM 1108 CZ ARG A 657 15.723 6.086 -5.335 1.00 40.32 C ATOM 1109 NH1 ARG A 657 16.141 7.246 -5.817 1.00 22.10 N ATOM 1110 NH2 ARG A 657 16.595 5.272 -4.756 1.00 15.23 N ATOM 0 H ARG A 657 10.872 6.195 -2.061 1.00 4.32 H new ATOM 0 HA ARG A 657 9.587 6.596 -4.607 1.00 51.22 H new ATOM 0 HB2 ARG A 657 11.905 7.256 -4.045 1.00 52.53 H new ATOM 0 HB3 ARG A 657 12.311 5.569 -3.797 1.00 52.53 H new ATOM 0 HG2 ARG A 657 11.853 5.064 -6.135 1.00 23.42 H new ATOM 0 HG3 ARG A 657 11.284 6.698 -6.414 1.00 23.42 H new ATOM 0 HD2 ARG A 657 13.583 6.485 -7.202 1.00 54.35 H new ATOM 0 HD3 ARG A 657 13.521 7.594 -5.846 1.00 54.35 H new ATOM 0 HE ARG A 657 14.122 4.878 -4.981 1.00 3.55 H new ATOM 0 HH11 ARG A 657 15.478 7.884 -6.258 1.00 22.10 H new ATOM 0 HH12 ARG A 657 17.126 7.502 -5.747 1.00 22.10 H new ATOM 0 HH21 ARG A 657 16.283 4.379 -4.375 1.00 15.23 H new ATOM 0 HH22 ARG A 657 17.577 5.539 -4.692 1.00 15.23 H new ATOM 1122 N SER A 658 9.103 4.287 -5.330 1.00 15.34 N ATOM 1123 CA SER A 658 8.522 3.000 -5.666 1.00 10.54 C ATOM 1124 C SER A 658 9.459 1.801 -5.509 1.00 50.42 C ATOM 1125 O SER A 658 10.584 1.770 -6.050 1.00 63.02 O ATOM 1126 CB SER A 658 7.978 3.050 -7.060 1.00 43.10 C ATOM 1127 OG SER A 658 6.997 4.040 -7.164 1.00 20.43 O ATOM 0 H SER A 658 8.880 5.018 -6.006 1.00 15.34 H new ATOM 0 HA SER A 658 7.729 2.834 -4.937 1.00 10.54 H new ATOM 0 HB2 SER A 658 8.784 3.252 -7.765 1.00 43.10 H new ATOM 0 HB3 SER A 658 7.556 2.081 -7.328 1.00 43.10 H new ATOM 0 HG SER A 658 7.095 4.509 -8.019 1.00 20.43 H new ATOM 1133 N ASN A 659 8.973 0.849 -4.745 1.00 34.14 N ATOM 1134 CA ASN A 659 9.592 -0.418 -4.508 1.00 0.33 C ATOM 1135 C ASN A 659 8.515 -1.387 -4.078 1.00 21.11 C ATOM 1136 O ASN A 659 7.759 -1.119 -3.163 1.00 23.32 O ATOM 1137 CB ASN A 659 10.740 -0.354 -3.461 1.00 25.23 C ATOM 1138 CG ASN A 659 10.334 0.182 -2.078 1.00 34.12 C ATOM 1139 OD1 ASN A 659 10.415 1.370 -1.806 1.00 13.32 O ATOM 1140 ND2 ASN A 659 9.927 -0.691 -1.202 1.00 32.12 N ATOM 0 H ASN A 659 8.087 0.952 -4.250 1.00 34.14 H new ATOM 0 HA ASN A 659 10.067 -0.751 -5.431 1.00 0.33 H new ATOM 0 HB2 ASN A 659 11.155 -1.355 -3.338 1.00 25.23 H new ATOM 0 HB3 ASN A 659 11.537 0.275 -3.857 1.00 25.23 H new ATOM 0 HD21 ASN A 659 9.667 -0.388 -0.263 1.00 32.12 H new ATOM 0 HD22 ASN A 659 9.868 -1.678 -1.454 1.00 32.12 H new ATOM 1146 N ALA A 660 8.459 -2.498 -4.731 1.00 53.33 N ATOM 1147 CA ALA A 660 7.420 -3.500 -4.491 1.00 62.45 C ATOM 1148 C ALA A 660 7.872 -4.498 -3.429 1.00 30.41 C ATOM 1149 O ALA A 660 7.587 -5.693 -3.515 1.00 42.55 O ATOM 1150 CB ALA A 660 7.131 -4.216 -5.793 1.00 45.44 C ATOM 0 H ALA A 660 9.127 -2.759 -5.456 1.00 53.33 H new ATOM 0 HA ALA A 660 6.517 -3.010 -4.128 1.00 62.45 H new ATOM 0 HB1 ALA A 660 6.358 -4.967 -5.631 1.00 45.44 H new ATOM 0 HB2 ALA A 660 6.788 -3.496 -6.536 1.00 45.44 H new ATOM 0 HB3 ALA A 660 8.039 -4.701 -6.151 1.00 45.44 H new ATOM 1156 N LYS A 661 8.525 -3.996 -2.421 1.00 42.22 N ATOM 1157 CA LYS A 661 9.057 -4.816 -1.361 1.00 22.21 C ATOM 1158 C LYS A 661 8.081 -4.893 -0.199 1.00 60.04 C ATOM 1159 O LYS A 661 7.725 -3.866 0.407 1.00 72.12 O ATOM 1160 CB LYS A 661 10.381 -4.243 -0.893 1.00 72.20 C ATOM 1161 CG LYS A 661 11.426 -4.161 -1.986 1.00 11.12 C ATOM 1162 CD LYS A 661 12.683 -3.491 -1.485 1.00 10.34 C ATOM 1163 CE LYS A 661 13.748 -3.411 -2.569 1.00 44.44 C ATOM 1164 NZ LYS A 661 14.142 -4.745 -3.069 1.00 32.31 N ATOM 0 H LYS A 661 8.707 -2.999 -2.307 1.00 42.22 H new ATOM 0 HA LYS A 661 9.213 -5.825 -1.742 1.00 22.21 H new ATOM 0 HB2 LYS A 661 10.213 -3.245 -0.487 1.00 72.20 H new ATOM 0 HB3 LYS A 661 10.766 -4.857 -0.079 1.00 72.20 H new ATOM 0 HG2 LYS A 661 11.662 -5.163 -2.344 1.00 11.12 H new ATOM 0 HG3 LYS A 661 11.027 -3.605 -2.834 1.00 11.12 H new ATOM 0 HD2 LYS A 661 12.445 -2.487 -1.134 1.00 10.34 H new ATOM 0 HD3 LYS A 661 13.074 -4.043 -0.631 1.00 10.34 H new ATOM 0 HE2 LYS A 661 13.374 -2.811 -3.398 1.00 44.44 H new ATOM 0 HE3 LYS A 661 14.626 -2.899 -2.175 1.00 44.44 H new ATOM 0 HZ1 LYS A 661 15.123 -4.711 -3.411 1.00 32.31 H new ATOM 0 HZ2 LYS A 661 14.067 -5.440 -2.299 1.00 32.31 H new ATOM 0 HZ3 LYS A 661 13.513 -5.023 -3.849 1.00 32.31 H new ATOM 1178 N LEU A 662 7.653 -6.091 0.103 1.00 3.34 N ATOM 1179 CA LEU A 662 6.741 -6.333 1.194 1.00 5.21 C ATOM 1180 C LEU A 662 7.507 -6.799 2.419 1.00 42.23 C ATOM 1181 O LEU A 662 8.571 -7.384 2.303 1.00 75.32 O ATOM 1182 CB LEU A 662 5.698 -7.401 0.815 1.00 11.14 C ATOM 1183 CG LEU A 662 4.691 -7.059 -0.279 1.00 73.20 C ATOM 1184 CD1 LEU A 662 3.761 -8.237 -0.510 1.00 14.51 C ATOM 1185 CD2 LEU A 662 3.887 -5.834 0.094 1.00 20.22 C ATOM 0 H LEU A 662 7.928 -6.933 -0.403 1.00 3.34 H new ATOM 0 HA LEU A 662 6.225 -5.398 1.413 1.00 5.21 H new ATOM 0 HB2 LEU A 662 6.235 -8.298 0.507 1.00 11.14 H new ATOM 0 HB3 LEU A 662 5.140 -7.657 1.715 1.00 11.14 H new ATOM 0 HG LEU A 662 5.239 -6.844 -1.197 1.00 73.20 H new ATOM 0 HD11 LEU A 662 3.044 -7.987 -1.292 1.00 14.51 H new ATOM 0 HD12 LEU A 662 4.344 -9.106 -0.816 1.00 14.51 H new ATOM 0 HD13 LEU A 662 3.227 -8.465 0.412 1.00 14.51 H new ATOM 0 HD21 LEU A 662 3.176 -5.610 -0.701 1.00 20.22 H new ATOM 0 HD22 LEU A 662 3.347 -6.022 1.022 1.00 20.22 H new ATOM 0 HD23 LEU A 662 4.558 -4.986 0.230 1.00 20.22 H new ATOM 1193 N SER A 663 6.973 -6.534 3.563 1.00 14.40 N ATOM 1194 CA SER A 663 7.547 -6.976 4.806 1.00 2.22 C ATOM 1195 C SER A 663 6.510 -7.829 5.516 1.00 1.55 C ATOM 1196 O SER A 663 5.335 -7.698 5.250 1.00 22.31 O ATOM 1197 CB SER A 663 7.950 -5.773 5.673 1.00 71.35 C ATOM 1198 OG SER A 663 8.917 -4.952 5.008 1.00 63.42 O ATOM 0 H SER A 663 6.113 -5.997 3.671 1.00 14.40 H new ATOM 0 HA SER A 663 8.450 -7.558 4.621 1.00 2.22 H new ATOM 0 HB2 SER A 663 7.066 -5.180 5.908 1.00 71.35 H new ATOM 0 HB3 SER A 663 8.359 -6.125 6.620 1.00 71.35 H new ATOM 0 HG SER A 663 9.587 -4.647 5.655 1.00 63.42 H new ATOM 1204 N TYR A 664 6.922 -8.711 6.362 1.00 75.32 N ATOM 1205 CA TYR A 664 5.974 -9.531 7.078 1.00 2.42 C ATOM 1206 C TYR A 664 6.229 -9.363 8.532 1.00 51.05 C ATOM 1207 O TYR A 664 7.279 -9.724 8.998 1.00 61.12 O ATOM 1208 CB TYR A 664 6.202 -10.976 6.687 1.00 75.04 C ATOM 1209 CG TYR A 664 5.164 -11.966 7.155 1.00 52.35 C ATOM 1210 CD1 TYR A 664 3.821 -11.762 6.888 1.00 42.22 C ATOM 1211 CD2 TYR A 664 5.530 -13.129 7.809 1.00 5.00 C ATOM 1212 CE1 TYR A 664 2.874 -12.668 7.255 1.00 51.00 C ATOM 1213 CE2 TYR A 664 4.590 -14.052 8.192 1.00 63.44 C ATOM 1214 CZ TYR A 664 3.262 -13.825 7.917 1.00 74.12 C ATOM 1215 OH TYR A 664 2.319 -14.756 8.302 1.00 12.31 O ATOM 0 H TYR A 664 7.902 -8.891 6.582 1.00 75.32 H new ATOM 0 HA TYR A 664 4.949 -9.245 6.843 1.00 2.42 H new ATOM 0 HB2 TYR A 664 6.262 -11.031 5.600 1.00 75.04 H new ATOM 0 HB3 TYR A 664 7.172 -11.287 7.076 1.00 75.04 H new ATOM 0 HD1 TYR A 664 3.517 -10.861 6.376 1.00 42.22 H new ATOM 0 HD2 TYR A 664 6.573 -13.313 8.021 1.00 5.00 H new ATOM 0 HE1 TYR A 664 1.832 -12.489 7.034 1.00 51.00 H new ATOM 0 HE2 TYR A 664 4.892 -14.952 8.707 1.00 63.44 H new ATOM 0 HH TYR A 664 2.011 -15.254 7.516 1.00 12.31 H new ATOM 1225 N TYR A 665 5.292 -8.817 9.243 1.00 4.34 N ATOM 1226 CA TYR A 665 5.476 -8.584 10.647 1.00 13.44 C ATOM 1227 C TYR A 665 4.647 -9.593 11.405 1.00 52.24 C ATOM 1228 O TYR A 665 3.445 -9.397 11.602 1.00 32.42 O ATOM 1229 CB TYR A 665 5.075 -7.140 10.988 1.00 3.25 C ATOM 1230 CG TYR A 665 5.484 -6.652 12.359 1.00 73.33 C ATOM 1231 CD1 TYR A 665 6.823 -6.443 12.656 1.00 74.04 C ATOM 1232 CD2 TYR A 665 4.545 -6.367 13.338 1.00 11.42 C ATOM 1233 CE1 TYR A 665 7.219 -5.973 13.887 1.00 52.43 C ATOM 1234 CE2 TYR A 665 4.935 -5.895 14.580 1.00 42.43 C ATOM 1235 CZ TYR A 665 6.275 -5.702 14.844 1.00 75.10 C ATOM 1236 OH TYR A 665 6.674 -5.232 16.081 1.00 13.12 O ATOM 0 H TYR A 665 4.387 -8.522 8.875 1.00 4.34 H new ATOM 0 HA TYR A 665 6.521 -8.705 10.931 1.00 13.44 H new ATOM 0 HB2 TYR A 665 5.510 -6.476 10.241 1.00 3.25 H new ATOM 0 HB3 TYR A 665 3.992 -7.053 10.900 1.00 3.25 H new ATOM 0 HD1 TYR A 665 7.570 -6.654 11.905 1.00 74.04 H new ATOM 0 HD2 TYR A 665 3.496 -6.515 13.129 1.00 11.42 H new ATOM 0 HE1 TYR A 665 8.267 -5.818 14.098 1.00 52.43 H new ATOM 0 HE2 TYR A 665 4.195 -5.679 15.337 1.00 42.43 H new ATOM 0 HH TYR A 665 5.886 -5.088 16.646 1.00 13.12 H new ATOM 1246 N ASP A 666 5.288 -10.708 11.749 1.00 24.54 N ATOM 1247 CA ASP A 666 4.668 -11.872 12.423 1.00 14.22 C ATOM 1248 C ASP A 666 3.663 -12.579 11.523 1.00 71.24 C ATOM 1249 O ASP A 666 3.889 -13.703 11.090 1.00 52.22 O ATOM 1250 CB ASP A 666 4.024 -11.523 13.761 1.00 72.45 C ATOM 1251 CG ASP A 666 3.405 -12.736 14.403 1.00 20.31 C ATOM 1252 OD1 ASP A 666 4.135 -13.478 15.097 1.00 4.34 O ATOM 1253 OD2 ASP A 666 2.193 -12.973 14.217 1.00 13.22 O ATOM 0 H ASP A 666 6.283 -10.841 11.566 1.00 24.54 H new ATOM 0 HA ASP A 666 5.491 -12.555 12.632 1.00 14.22 H new ATOM 0 HB2 ASP A 666 4.774 -11.099 14.428 1.00 72.45 H new ATOM 0 HB3 ASP A 666 3.261 -10.759 13.612 1.00 72.45 H new ATOM 1258 N GLY A 667 2.567 -11.920 11.264 1.00 45.23 N ATOM 1259 CA GLY A 667 1.555 -12.445 10.397 1.00 72.11 C ATOM 1260 C GLY A 667 0.848 -11.357 9.656 1.00 45.35 C ATOM 1261 O GLY A 667 0.011 -11.617 8.786 1.00 22.23 O ATOM 0 H GLY A 667 2.352 -11.001 11.651 1.00 45.23 H new ATOM 0 HA2 GLY A 667 2.007 -13.136 9.686 1.00 72.11 H new ATOM 0 HA3 GLY A 667 0.834 -13.016 10.982 1.00 72.11 H new ATOM 1265 N MET A 668 1.178 -10.138 9.982 1.00 42.13 N ATOM 1266 CA MET A 668 0.611 -9.020 9.323 1.00 24.13 C ATOM 1267 C MET A 668 1.580 -8.557 8.277 1.00 23.22 C ATOM 1268 O MET A 668 2.686 -8.110 8.598 1.00 53.21 O ATOM 1269 CB MET A 668 0.271 -7.867 10.300 1.00 12.00 C ATOM 1270 CG MET A 668 -0.775 -8.207 11.375 1.00 43.41 C ATOM 1271 SD MET A 668 -0.206 -9.391 12.633 1.00 53.34 S ATOM 1272 CE MET A 668 1.066 -8.432 13.461 1.00 43.24 C ATOM 0 H MET A 668 1.849 -9.903 10.714 1.00 42.13 H new ATOM 0 HA MET A 668 -0.333 -9.321 8.869 1.00 24.13 H new ATOM 0 HB2 MET A 668 1.188 -7.550 10.796 1.00 12.00 H new ATOM 0 HB3 MET A 668 -0.089 -7.016 9.722 1.00 12.00 H new ATOM 0 HG2 MET A 668 -1.079 -7.286 11.872 1.00 43.41 H new ATOM 0 HG3 MET A 668 -1.661 -8.613 10.887 1.00 43.41 H new ATOM 0 HE1 MET A 668 1.569 -9.056 14.200 1.00 43.24 H new ATOM 0 HE2 MET A 668 1.792 -8.081 12.728 1.00 43.24 H new ATOM 0 HE3 MET A 668 0.610 -7.576 13.959 1.00 43.24 H new ATOM 1282 N ILE A 669 1.205 -8.722 7.038 1.00 12.42 N ATOM 1283 CA ILE A 669 2.028 -8.286 5.944 1.00 11.30 C ATOM 1284 C ILE A 669 2.075 -6.764 5.948 1.00 64.03 C ATOM 1285 O ILE A 669 1.076 -6.104 6.236 1.00 61.14 O ATOM 1286 CB ILE A 669 1.522 -8.790 4.541 1.00 30.52 C ATOM 1287 CG1 ILE A 669 1.577 -10.306 4.365 1.00 4.13 C ATOM 1288 CG2 ILE A 669 2.273 -8.139 3.391 1.00 34.44 C ATOM 1289 CD1 ILE A 669 0.551 -11.109 5.138 1.00 62.04 C ATOM 0 H ILE A 669 0.327 -9.159 6.760 1.00 12.42 H new ATOM 0 HA ILE A 669 3.018 -8.717 6.090 1.00 11.30 H new ATOM 0 HB ILE A 669 0.474 -8.490 4.517 1.00 30.52 H new ATOM 0 HG12 ILE A 669 1.460 -10.532 3.305 1.00 4.13 H new ATOM 0 HG13 ILE A 669 2.570 -10.648 4.656 1.00 4.13 H new ATOM 0 HG21 ILE A 669 1.889 -8.518 2.444 1.00 34.44 H new ATOM 0 HG22 ILE A 669 2.135 -7.059 3.432 1.00 34.44 H new ATOM 0 HG23 ILE A 669 3.335 -8.373 3.471 1.00 34.44 H new ATOM 0 HD11 ILE A 669 0.690 -12.170 4.933 1.00 62.04 H new ATOM 0 HD12 ILE A 669 0.675 -10.927 6.205 1.00 62.04 H new ATOM 0 HD13 ILE A 669 -0.451 -10.808 4.833 1.00 62.04 H new ATOM 1296 N GLN A 670 3.217 -6.217 5.684 1.00 61.55 N ATOM 1297 CA GLN A 670 3.371 -4.812 5.621 1.00 65.02 C ATOM 1298 C GLN A 670 3.956 -4.432 4.278 1.00 44.43 C ATOM 1299 O GLN A 670 4.561 -5.250 3.599 1.00 65.45 O ATOM 1300 CB GLN A 670 4.275 -4.285 6.736 1.00 0.34 C ATOM 1301 CG GLN A 670 3.871 -4.701 8.133 1.00 53.41 C ATOM 1302 CD GLN A 670 4.687 -4.000 9.182 1.00 21.42 C ATOM 1303 OE1 GLN A 670 5.759 -4.457 9.558 1.00 61.21 O ATOM 1304 NE2 GLN A 670 4.167 -2.915 9.701 1.00 34.35 N ATOM 0 H GLN A 670 4.073 -6.743 5.505 1.00 61.55 H new ATOM 0 HA GLN A 670 2.387 -4.362 5.750 1.00 65.02 H new ATOM 0 HB2 GLN A 670 5.293 -4.627 6.551 1.00 0.34 H new ATOM 0 HB3 GLN A 670 4.291 -3.196 6.687 1.00 0.34 H new ATOM 0 HG2 GLN A 670 2.815 -4.480 8.287 1.00 53.41 H new ATOM 0 HG3 GLN A 670 3.990 -5.779 8.240 1.00 53.41 H new ATOM 0 HE21 GLN A 670 3.271 -2.566 9.361 1.00 34.35 H new ATOM 0 HE22 GLN A 670 4.658 -2.420 10.445 1.00 34.35 H new ATOM 1312 N LEU A 671 3.788 -3.214 3.929 1.00 74.31 N ATOM 1313 CA LEU A 671 4.304 -2.667 2.697 1.00 43.41 C ATOM 1314 C LEU A 671 5.228 -1.599 3.122 1.00 32.43 C ATOM 1315 O LEU A 671 4.864 -0.781 3.973 1.00 44.35 O ATOM 1316 CB LEU A 671 3.161 -2.102 1.849 1.00 15.31 C ATOM 1317 CG LEU A 671 3.498 -1.439 0.498 1.00 53.42 C ATOM 1318 CD1 LEU A 671 4.226 -2.384 -0.441 1.00 33.14 C ATOM 1319 CD2 LEU A 671 2.224 -0.962 -0.159 1.00 13.14 C ATOM 0 H LEU A 671 3.277 -2.537 4.495 1.00 74.31 H new ATOM 0 HA LEU A 671 4.804 -3.415 2.081 1.00 43.41 H new ATOM 0 HB2 LEU A 671 2.462 -2.915 1.653 1.00 15.31 H new ATOM 0 HB3 LEU A 671 2.632 -1.366 2.455 1.00 15.31 H new ATOM 0 HG LEU A 671 4.162 -0.599 0.700 1.00 53.42 H new ATOM 0 HD11 LEU A 671 4.441 -1.871 -1.378 1.00 33.14 H new ATOM 0 HD12 LEU A 671 5.160 -2.706 0.019 1.00 33.14 H new ATOM 0 HD13 LEU A 671 3.600 -3.254 -0.639 1.00 33.14 H new ATOM 0 HD21 LEU A 671 2.461 -0.493 -1.114 1.00 13.14 H new ATOM 0 HD22 LEU A 671 1.561 -1.811 -0.326 1.00 13.14 H new ATOM 0 HD23 LEU A 671 1.730 -0.237 0.488 1.00 13.14 H new ATOM 1327 N THR A 672 6.395 -1.592 2.604 1.00 62.14 N ATOM 1328 CA THR A 672 7.386 -0.714 3.112 1.00 13.23 C ATOM 1329 C THR A 672 7.933 0.192 2.042 1.00 33.13 C ATOM 1330 O THR A 672 8.604 -0.257 1.118 1.00 34.44 O ATOM 1331 CB THR A 672 8.527 -1.547 3.737 1.00 21.43 C ATOM 1332 OG1 THR A 672 7.961 -2.450 4.716 1.00 35.12 O ATOM 1333 CG2 THR A 672 9.560 -0.650 4.414 1.00 61.52 C ATOM 0 H THR A 672 6.693 -2.183 1.828 1.00 62.14 H new ATOM 0 HA THR A 672 6.926 -0.080 3.870 1.00 13.23 H new ATOM 0 HB THR A 672 9.028 -2.104 2.945 1.00 21.43 H new ATOM 0 HG1 THR A 672 8.441 -3.304 4.689 1.00 35.12 H new ATOM 0 HG21 THR A 672 10.350 -1.265 4.844 1.00 61.52 H new ATOM 0 HG22 THR A 672 9.990 0.030 3.678 1.00 61.52 H new ATOM 0 HG23 THR A 672 9.079 -0.073 5.204 1.00 61.52 H new ATOM 1339 N TYR A 673 7.664 1.454 2.184 1.00 1.23 N ATOM 1340 CA TYR A 673 8.202 2.449 1.297 1.00 5.44 C ATOM 1341 C TYR A 673 9.240 3.272 1.984 1.00 24.43 C ATOM 1342 O TYR A 673 9.065 3.665 3.133 1.00 71.13 O ATOM 1343 CB TYR A 673 7.126 3.328 0.671 1.00 65.04 C ATOM 1344 CG TYR A 673 6.363 2.633 -0.401 1.00 53.10 C ATOM 1345 CD1 TYR A 673 6.957 2.401 -1.629 1.00 30.32 C ATOM 1346 CD2 TYR A 673 5.076 2.196 -0.203 1.00 24.12 C ATOM 1347 CE1 TYR A 673 6.293 1.757 -2.629 1.00 72.33 C ATOM 1348 CE2 TYR A 673 4.397 1.543 -1.198 1.00 0.43 C ATOM 1349 CZ TYR A 673 5.019 1.322 -2.426 1.00 61.11 C ATOM 1350 OH TYR A 673 4.373 0.651 -3.450 1.00 55.23 O ATOM 0 H TYR A 673 7.064 1.828 2.919 1.00 1.23 H new ATOM 0 HA TYR A 673 8.676 1.912 0.476 1.00 5.44 H new ATOM 0 HB2 TYR A 673 6.435 3.657 1.447 1.00 65.04 H new ATOM 0 HB3 TYR A 673 7.590 4.223 0.258 1.00 65.04 H new ATOM 0 HD1 TYR A 673 7.969 2.738 -1.798 1.00 30.32 H new ATOM 0 HD2 TYR A 673 4.594 2.369 0.748 1.00 24.12 H new ATOM 0 HE1 TYR A 673 6.776 1.592 -3.581 1.00 72.33 H new ATOM 0 HE2 TYR A 673 3.386 1.202 -1.032 1.00 0.43 H new ATOM 0 HH TYR A 673 3.428 0.533 -3.219 1.00 55.23 H new ATOM 1360 N ARG A 674 10.327 3.491 1.292 1.00 45.54 N ATOM 1361 CA ARG A 674 11.456 4.255 1.787 1.00 71.25 C ATOM 1362 C ARG A 674 11.965 5.131 0.659 1.00 72.31 C ATOM 1363 O ARG A 674 11.439 5.050 -0.450 1.00 12.35 O ATOM 1364 CB ARG A 674 12.567 3.307 2.281 1.00 1.05 C ATOM 1365 CG ARG A 674 12.182 2.473 3.499 1.00 34.42 C ATOM 1366 CD ARG A 674 13.267 1.479 3.869 1.00 50.21 C ATOM 1367 NE ARG A 674 12.909 0.693 5.064 1.00 40.24 N ATOM 1368 CZ ARG A 674 13.161 -0.622 5.246 1.00 3.34 C ATOM 1369 NH1 ARG A 674 13.696 -1.356 4.271 1.00 10.54 N ATOM 1370 NH2 ARG A 674 12.849 -1.199 6.396 1.00 52.45 N ATOM 0 H ARG A 674 10.461 3.137 0.345 1.00 45.54 H new ATOM 0 HA ARG A 674 11.150 4.876 2.629 1.00 71.25 H new ATOM 0 HB2 ARG A 674 12.844 2.636 1.468 1.00 1.05 H new ATOM 0 HB3 ARG A 674 13.451 3.897 2.523 1.00 1.05 H new ATOM 0 HG2 ARG A 674 11.990 3.133 4.345 1.00 34.42 H new ATOM 0 HG3 ARG A 674 11.254 1.939 3.295 1.00 34.42 H new ATOM 0 HD2 ARG A 674 13.443 0.805 3.031 1.00 50.21 H new ATOM 0 HD3 ARG A 674 14.200 2.012 4.051 1.00 50.21 H new ATOM 0 HE ARG A 674 12.430 1.184 5.818 1.00 40.24 H new ATOM 0 HH11 ARG A 674 13.921 -0.926 3.374 1.00 10.54 H new ATOM 0 HH12 ARG A 674 13.881 -2.348 4.422 1.00 10.54 H new ATOM 0 HH21 ARG A 674 12.420 -0.651 7.142 1.00 52.45 H new ATOM 0 HH22 ARG A 674 13.038 -2.191 6.536 1.00 52.45 H new ATOM 1382 N ASP A 675 12.979 5.957 0.936 1.00 4.00 N ATOM 1383 CA ASP A 675 13.582 6.886 -0.068 1.00 61.41 C ATOM 1384 C ASP A 675 12.649 8.055 -0.374 1.00 52.33 C ATOM 1385 O ASP A 675 12.762 8.706 -1.426 1.00 74.11 O ATOM 1386 CB ASP A 675 13.989 6.166 -1.387 1.00 31.12 C ATOM 1387 CG ASP A 675 15.038 5.096 -1.206 1.00 22.24 C ATOM 1388 OD1 ASP A 675 16.210 5.435 -0.969 1.00 22.50 O ATOM 1389 OD2 ASP A 675 14.716 3.887 -1.327 1.00 32.41 O ATOM 0 H ASP A 675 13.415 6.012 1.856 1.00 4.00 H new ATOM 0 HA ASP A 675 14.494 7.271 0.387 1.00 61.41 H new ATOM 0 HB2 ASP A 675 13.101 5.718 -1.833 1.00 31.12 H new ATOM 0 HB3 ASP A 675 14.360 6.908 -2.094 1.00 31.12 H new ATOM 1394 N GLY A 676 11.749 8.340 0.557 1.00 31.04 N ATOM 1395 CA GLY A 676 10.833 9.444 0.402 1.00 32.31 C ATOM 1396 C GLY A 676 11.487 10.788 0.696 1.00 33.50 C ATOM 1397 O GLY A 676 12.699 10.883 0.810 1.00 30.43 O ATOM 0 H GLY A 676 11.639 7.817 1.426 1.00 31.04 H new ATOM 0 HA2 GLY A 676 10.442 9.448 -0.616 1.00 32.31 H new ATOM 0 HA3 GLY A 676 9.983 9.303 1.069 1.00 32.31 H new ATOM 1401 N THR A 677 10.694 11.804 0.856 1.00 43.33 N ATOM 1402 CA THR A 677 11.191 13.145 1.088 1.00 22.23 C ATOM 1403 C THR A 677 11.756 13.292 2.510 1.00 63.35 C ATOM 1404 O THR A 677 11.113 12.890 3.474 1.00 24.41 O ATOM 1405 CB THR A 677 10.062 14.180 0.870 1.00 21.25 C ATOM 1406 OG1 THR A 677 9.521 14.023 -0.443 1.00 0.24 O ATOM 1407 CG2 THR A 677 10.576 15.601 1.021 1.00 32.33 C ATOM 0 H THR A 677 9.677 11.736 0.831 1.00 43.33 H new ATOM 0 HA THR A 677 11.996 13.329 0.376 1.00 22.23 H new ATOM 0 HB THR A 677 9.295 14.006 1.625 1.00 21.25 H new ATOM 0 HG1 THR A 677 9.051 14.843 -0.703 1.00 0.24 H new ATOM 0 HG21 THR A 677 9.757 16.303 0.862 1.00 32.33 H new ATOM 0 HG22 THR A 677 10.980 15.737 2.024 1.00 32.33 H new ATOM 0 HG23 THR A 677 11.360 15.785 0.286 1.00 32.33 H new ATOM 1413 N PRO A 678 12.981 13.823 2.649 1.00 11.34 N ATOM 1414 CA PRO A 678 13.575 14.086 3.952 1.00 3.03 C ATOM 1415 C PRO A 678 12.831 15.183 4.720 1.00 33.05 C ATOM 1416 O PRO A 678 12.468 16.234 4.162 1.00 53.01 O ATOM 1417 CB PRO A 678 15.005 14.548 3.622 1.00 51.42 C ATOM 1418 CG PRO A 678 15.237 14.081 2.233 1.00 13.40 C ATOM 1419 CD PRO A 678 13.907 14.169 1.557 1.00 4.21 C ATOM 0 HA PRO A 678 13.537 13.205 4.593 1.00 3.03 H new ATOM 0 HB2 PRO A 678 15.099 15.631 3.697 1.00 51.42 H new ATOM 0 HB3 PRO A 678 15.730 14.117 4.312 1.00 51.42 H new ATOM 0 HG2 PRO A 678 15.976 14.703 1.728 1.00 13.40 H new ATOM 0 HG3 PRO A 678 15.617 13.060 2.220 1.00 13.40 H new ATOM 0 HD2 PRO A 678 13.716 15.167 1.162 1.00 4.21 H new ATOM 0 HD3 PRO A 678 13.828 13.474 0.721 1.00 4.21 H new ATOM 1427 N TYR A 679 12.594 14.934 5.978 1.00 70.43 N ATOM 1428 CA TYR A 679 11.949 15.902 6.863 1.00 61.42 C ATOM 1429 C TYR A 679 12.982 16.491 7.796 1.00 62.32 C ATOM 1430 O TYR A 679 14.189 16.289 7.599 1.00 24.04 O ATOM 1431 CB TYR A 679 10.833 15.255 7.702 1.00 13.32 C ATOM 1432 CG TYR A 679 9.576 14.858 6.971 1.00 23.10 C ATOM 1433 CD1 TYR A 679 9.596 14.377 5.679 1.00 1.24 C ATOM 1434 CD2 TYR A 679 8.350 14.978 7.603 1.00 21.14 C ATOM 1435 CE1 TYR A 679 8.439 14.026 5.037 1.00 51.13 C ATOM 1436 CE2 TYR A 679 7.192 14.629 6.972 1.00 62.34 C ATOM 1437 CZ TYR A 679 7.241 14.154 5.686 1.00 54.32 C ATOM 1438 OH TYR A 679 6.098 13.804 5.052 1.00 22.21 O ATOM 0 H TYR A 679 12.838 14.055 6.433 1.00 70.43 H new ATOM 0 HA TYR A 679 11.502 16.677 6.240 1.00 61.42 H new ATOM 0 HB2 TYR A 679 11.241 14.366 8.183 1.00 13.32 H new ATOM 0 HB3 TYR A 679 10.559 15.950 8.496 1.00 13.32 H new ATOM 0 HD1 TYR A 679 10.540 14.275 5.165 1.00 1.24 H new ATOM 0 HD2 TYR A 679 8.310 15.355 8.614 1.00 21.14 H new ATOM 0 HE1 TYR A 679 8.471 13.651 4.025 1.00 51.13 H new ATOM 0 HE2 TYR A 679 6.244 14.726 7.481 1.00 62.34 H new ATOM 0 HH TYR A 679 5.950 14.403 4.291 1.00 22.21 H new ATOM 1448 N ASN A 680 12.516 17.219 8.791 1.00 55.03 N ATOM 1449 CA ASN A 680 13.375 17.819 9.789 1.00 65.13 C ATOM 1450 C ASN A 680 14.079 16.756 10.631 1.00 51.42 C ATOM 1451 O ASN A 680 13.468 16.041 11.421 1.00 33.21 O ATOM 1452 CB ASN A 680 12.615 18.856 10.663 1.00 30.10 C ATOM 1453 CG ASN A 680 11.425 18.304 11.447 1.00 52.10 C ATOM 1454 OD1 ASN A 680 11.562 17.859 12.585 1.00 60.12 O ATOM 1455 ND2 ASN A 680 10.255 18.353 10.855 1.00 61.11 N ATOM 0 H ASN A 680 11.524 17.411 8.930 1.00 55.03 H new ATOM 0 HA ASN A 680 14.151 18.372 9.260 1.00 65.13 H new ATOM 0 HB2 ASN A 680 13.319 19.298 11.368 1.00 30.10 H new ATOM 0 HB3 ASN A 680 12.262 19.661 10.018 1.00 30.10 H new ATOM 0 HD21 ASN A 680 9.424 18.016 11.340 1.00 61.11 H new ATOM 0 HD22 ASN A 680 10.177 18.729 9.910 1.00 61.11 H new ATOM 1461 N ASN A 681 15.352 16.633 10.388 1.00 60.13 N ATOM 1462 CA ASN A 681 16.237 15.715 11.074 1.00 54.15 C ATOM 1463 C ASN A 681 17.627 16.113 10.682 1.00 4.22 C ATOM 1464 O ASN A 681 17.904 16.282 9.498 1.00 30.20 O ATOM 1465 CB ASN A 681 15.939 14.232 10.678 1.00 40.31 C ATOM 1466 CG ASN A 681 16.849 13.181 11.364 1.00 52.50 C ATOM 1467 OD1 ASN A 681 18.019 13.418 11.640 1.00 73.43 O ATOM 1468 ND2 ASN A 681 16.296 12.034 11.664 1.00 51.04 N ATOM 0 H ASN A 681 15.829 17.189 9.678 1.00 60.13 H new ATOM 0 HA ASN A 681 16.099 15.768 12.154 1.00 54.15 H new ATOM 0 HB2 ASN A 681 14.901 14.007 10.922 1.00 40.31 H new ATOM 0 HB3 ASN A 681 16.042 14.131 9.598 1.00 40.31 H new ATOM 0 HD21 ASN A 681 16.841 11.314 12.138 1.00 51.04 H new ATOM 0 HD22 ASN A 681 15.320 11.860 11.424 1.00 51.04 H new ATOM 1474 N GLU A 682 18.488 16.277 11.648 1.00 51.53 N ATOM 1475 CA GLU A 682 19.840 16.758 11.420 1.00 32.20 C ATOM 1476 C GLU A 682 20.630 15.818 10.504 1.00 21.13 C ATOM 1477 O GLU A 682 21.463 16.262 9.718 1.00 11.54 O ATOM 1478 CB GLU A 682 20.537 16.959 12.752 1.00 24.22 C ATOM 1479 CG GLU A 682 21.929 17.522 12.662 1.00 71.14 C ATOM 1480 CD GLU A 682 22.513 17.755 14.015 1.00 1.20 C ATOM 1481 OE1 GLU A 682 23.042 16.800 14.604 1.00 53.22 O ATOM 1482 OE2 GLU A 682 22.442 18.898 14.523 1.00 22.13 O ATOM 0 H GLU A 682 18.278 16.081 12.627 1.00 51.53 H new ATOM 0 HA GLU A 682 19.787 17.717 10.904 1.00 32.20 H new ATOM 0 HB2 GLU A 682 19.931 17.625 13.365 1.00 24.22 H new ATOM 0 HB3 GLU A 682 20.581 16.001 13.270 1.00 24.22 H new ATOM 0 HG2 GLU A 682 22.565 16.835 12.103 1.00 71.14 H new ATOM 0 HG3 GLU A 682 21.908 18.460 12.107 1.00 71.14 H new ATOM 1489 N LYS A 683 20.336 14.542 10.570 1.00 52.11 N ATOM 1490 CA LYS A 683 21.010 13.572 9.722 1.00 31.14 C ATOM 1491 C LYS A 683 20.321 13.475 8.366 1.00 32.33 C ATOM 1492 O LYS A 683 20.844 12.851 7.446 1.00 41.20 O ATOM 1493 CB LYS A 683 21.075 12.165 10.369 1.00 53.04 C ATOM 1494 CG LYS A 683 21.957 12.023 11.625 1.00 14.02 C ATOM 1495 CD LYS A 683 21.447 12.816 12.821 1.00 35.51 C ATOM 1496 CE LYS A 683 22.336 12.616 14.042 1.00 53.12 C ATOM 1497 NZ LYS A 683 22.378 11.204 14.477 1.00 34.03 N ATOM 0 H LYS A 683 19.637 14.146 11.198 1.00 52.11 H new ATOM 0 HA LYS A 683 22.032 13.928 9.592 1.00 31.14 H new ATOM 0 HB2 LYS A 683 20.061 11.862 10.629 1.00 53.04 H new ATOM 0 HB3 LYS A 683 21.435 11.461 9.619 1.00 53.04 H new ATOM 0 HG2 LYS A 683 22.019 10.970 11.898 1.00 14.02 H new ATOM 0 HG3 LYS A 683 22.969 12.351 11.387 1.00 14.02 H new ATOM 0 HD2 LYS A 683 21.408 13.875 12.567 1.00 35.51 H new ATOM 0 HD3 LYS A 683 20.428 12.507 13.056 1.00 35.51 H new ATOM 0 HE2 LYS A 683 23.347 12.954 13.813 1.00 53.12 H new ATOM 0 HE3 LYS A 683 21.971 13.236 14.861 1.00 53.12 H new ATOM 0 HZ1 LYS A 683 22.790 11.147 15.430 1.00 34.03 H new ATOM 0 HZ2 LYS A 683 21.413 10.817 14.493 1.00 34.03 H new ATOM 0 HZ3 LYS A 683 22.961 10.654 13.814 1.00 34.03 H new ATOM 1511 N ARG A 684 19.157 14.136 8.253 1.00 43.43 N ATOM 1512 CA ARG A 684 18.297 14.099 7.058 1.00 21.25 C ATOM 1513 C ARG A 684 17.845 12.698 6.728 1.00 20.31 C ATOM 1514 O ARG A 684 18.560 11.926 6.103 1.00 61.23 O ATOM 1515 CB ARG A 684 18.894 14.792 5.814 1.00 54.20 C ATOM 1516 CG ARG A 684 18.925 16.325 5.843 1.00 21.23 C ATOM 1517 CD ARG A 684 19.841 16.908 6.910 1.00 1.31 C ATOM 1518 NE ARG A 684 19.833 18.377 6.862 1.00 15.24 N ATOM 1519 CZ ARG A 684 20.581 19.195 7.611 1.00 21.55 C ATOM 1520 NH1 ARG A 684 21.391 18.714 8.542 1.00 53.54 N ATOM 1521 NH2 ARG A 684 20.495 20.503 7.430 1.00 23.34 N ATOM 0 H ARG A 684 18.781 14.720 9.000 1.00 43.43 H new ATOM 0 HA ARG A 684 17.424 14.690 7.335 1.00 21.25 H new ATOM 0 HB2 ARG A 684 19.913 14.431 5.677 1.00 54.20 H new ATOM 0 HB3 ARG A 684 18.324 14.477 4.940 1.00 54.20 H new ATOM 0 HG2 ARG A 684 19.244 16.690 4.867 1.00 21.23 H new ATOM 0 HG3 ARG A 684 17.913 16.695 6.006 1.00 21.23 H new ATOM 0 HD2 ARG A 684 19.519 16.571 7.895 1.00 1.31 H new ATOM 0 HD3 ARG A 684 20.857 16.541 6.763 1.00 1.31 H new ATOM 0 HE ARG A 684 19.197 18.814 6.195 1.00 15.24 H new ATOM 0 HH11 ARG A 684 21.451 17.707 8.696 1.00 53.54 H new ATOM 0 HH12 ARG A 684 21.955 19.350 9.105 1.00 53.54 H new ATOM 0 HH21 ARG A 684 19.862 20.880 6.724 1.00 23.34 H new ATOM 0 HH22 ARG A 684 21.061 21.135 7.996 1.00 23.34 H new ATOM 1533 N THR A 685 16.675 12.371 7.154 1.00 23.33 N ATOM 1534 CA THR A 685 16.154 11.063 6.913 1.00 51.32 C ATOM 1535 C THR A 685 15.018 11.138 5.884 1.00 52.31 C ATOM 1536 O THR A 685 14.106 11.984 6.010 1.00 33.04 O ATOM 1537 CB THR A 685 15.676 10.373 8.241 1.00 35.01 C ATOM 1538 OG1 THR A 685 15.243 9.030 7.990 1.00 43.21 O ATOM 1539 CG2 THR A 685 14.545 11.146 8.907 1.00 1.30 C ATOM 0 H THR A 685 16.055 12.992 7.674 1.00 23.33 H new ATOM 0 HA THR A 685 16.955 10.444 6.508 1.00 51.32 H new ATOM 0 HB THR A 685 16.532 10.362 8.915 1.00 35.01 H new ATOM 0 HG1 THR A 685 14.951 8.618 8.830 1.00 43.21 H new ATOM 0 HG21 THR A 685 14.244 10.635 9.822 1.00 1.30 H new ATOM 0 HG22 THR A 685 14.886 12.153 9.149 1.00 1.30 H new ATOM 0 HG23 THR A 685 13.695 11.204 8.228 1.00 1.30 H new ATOM 1545 N PRO A 686 15.087 10.322 4.817 1.00 42.55 N ATOM 1546 CA PRO A 686 14.022 10.240 3.836 1.00 42.11 C ATOM 1547 C PRO A 686 12.775 9.630 4.460 1.00 71.11 C ATOM 1548 O PRO A 686 12.858 8.846 5.414 1.00 31.15 O ATOM 1549 CB PRO A 686 14.578 9.322 2.738 1.00 43.30 C ATOM 1550 CG PRO A 686 16.040 9.236 2.998 1.00 52.41 C ATOM 1551 CD PRO A 686 16.209 9.433 4.474 1.00 41.44 C ATOM 0 HA PRO A 686 13.734 11.218 3.451 1.00 42.11 H new ATOM 0 HB2 PRO A 686 14.113 8.337 2.777 1.00 43.30 H new ATOM 0 HB3 PRO A 686 14.378 9.729 1.747 1.00 43.30 H new ATOM 0 HG2 PRO A 686 16.436 8.270 2.685 1.00 52.41 H new ATOM 0 HG3 PRO A 686 16.581 9.998 2.438 1.00 52.41 H new ATOM 0 HD2 PRO A 686 16.157 8.489 5.016 1.00 41.44 H new ATOM 0 HD3 PRO A 686 17.171 9.886 4.714 1.00 41.44 H new ATOM 1559 N ARG A 687 11.638 10.002 3.950 1.00 45.51 N ATOM 1560 CA ARG A 687 10.393 9.556 4.469 1.00 73.45 C ATOM 1561 C ARG A 687 10.191 8.068 4.207 1.00 55.25 C ATOM 1562 O ARG A 687 10.614 7.542 3.170 1.00 1.42 O ATOM 1563 CB ARG A 687 9.273 10.365 3.832 1.00 44.43 C ATOM 1564 CG ARG A 687 7.887 10.130 4.389 1.00 65.02 C ATOM 1565 CD ARG A 687 7.753 10.601 5.839 1.00 13.10 C ATOM 1566 NE ARG A 687 8.517 9.798 6.811 1.00 44.41 N ATOM 1567 CZ ARG A 687 9.452 10.294 7.659 1.00 53.32 C ATOM 1568 NH1 ARG A 687 9.847 11.559 7.553 1.00 52.20 N ATOM 1569 NH2 ARG A 687 9.996 9.515 8.591 1.00 33.42 N ATOM 0 H ARG A 687 11.556 10.632 3.152 1.00 45.51 H new ATOM 0 HA ARG A 687 10.384 9.703 5.549 1.00 73.45 H new ATOM 0 HB2 ARG A 687 9.511 11.424 3.937 1.00 44.43 H new ATOM 0 HB3 ARG A 687 9.256 10.147 2.764 1.00 44.43 H new ATOM 0 HG2 ARG A 687 7.157 10.653 3.771 1.00 65.02 H new ATOM 0 HG3 ARG A 687 7.651 9.067 4.332 1.00 65.02 H new ATOM 0 HD2 ARG A 687 8.082 11.638 5.904 1.00 13.10 H new ATOM 0 HD3 ARG A 687 6.700 10.583 6.119 1.00 13.10 H new ATOM 0 HE ARG A 687 8.329 8.796 6.848 1.00 44.41 H new ATOM 0 HH11 ARG A 687 9.447 12.160 6.832 1.00 52.20 H new ATOM 0 HH12 ARG A 687 10.550 11.929 8.192 1.00 52.20 H new ATOM 0 HH21 ARG A 687 9.710 8.539 8.670 1.00 33.42 H new ATOM 0 HH22 ARG A 687 10.699 9.894 9.226 1.00 33.42 H new ATOM 1581 N ALA A 688 9.578 7.411 5.159 1.00 70.54 N ATOM 1582 CA ALA A 688 9.249 6.028 5.051 1.00 65.33 C ATOM 1583 C ALA A 688 7.790 5.852 5.411 1.00 74.11 C ATOM 1584 O ALA A 688 7.225 6.665 6.182 1.00 63.21 O ATOM 1585 CB ALA A 688 10.137 5.188 5.953 1.00 43.13 C ATOM 0 H ALA A 688 9.293 7.836 6.041 1.00 70.54 H new ATOM 0 HA ALA A 688 9.417 5.689 4.029 1.00 65.33 H new ATOM 0 HB1 ALA A 688 9.867 4.137 5.853 1.00 43.13 H new ATOM 0 HB2 ALA A 688 11.180 5.324 5.666 1.00 43.13 H new ATOM 0 HB3 ALA A 688 10.003 5.500 6.989 1.00 43.13 H new ATOM 1591 N THR A 689 7.178 4.859 4.846 1.00 72.31 N ATOM 1592 CA THR A 689 5.780 4.578 5.050 1.00 60.13 C ATOM 1593 C THR A 689 5.495 3.088 5.077 1.00 14.44 C ATOM 1594 O THR A 689 6.053 2.319 4.283 1.00 61.01 O ATOM 1595 CB THR A 689 4.959 5.288 3.961 1.00 24.41 C ATOM 1596 OG1 THR A 689 4.999 6.679 4.223 1.00 61.23 O ATOM 1597 CG2 THR A 689 3.515 4.791 3.850 1.00 24.13 C ATOM 0 H THR A 689 7.640 4.204 4.216 1.00 72.31 H new ATOM 0 HA THR A 689 5.488 4.960 6.028 1.00 60.13 H new ATOM 0 HB THR A 689 5.407 5.057 2.995 1.00 24.41 H new ATOM 0 HG1 THR A 689 5.600 6.853 4.977 1.00 61.23 H new ATOM 0 HG21 THR A 689 3.001 5.340 3.061 1.00 24.13 H new ATOM 0 HG22 THR A 689 3.514 3.727 3.613 1.00 24.13 H new ATOM 0 HG23 THR A 689 3.001 4.952 4.798 1.00 24.13 H new ATOM 1603 N LEU A 690 4.651 2.677 6.008 1.00 72.53 N ATOM 1604 CA LEU A 690 4.275 1.299 6.110 1.00 60.22 C ATOM 1605 C LEU A 690 2.793 1.116 6.005 1.00 51.34 C ATOM 1606 O LEU A 690 2.028 1.740 6.739 1.00 34.42 O ATOM 1607 CB LEU A 690 4.662 0.672 7.439 1.00 53.22 C ATOM 1608 CG LEU A 690 6.111 0.541 7.797 1.00 70.15 C ATOM 1609 CD1 LEU A 690 6.201 -0.268 9.051 1.00 12.21 C ATOM 1610 CD2 LEU A 690 6.856 -0.143 6.704 1.00 40.24 C ATOM 0 H LEU A 690 4.218 3.289 6.700 1.00 72.53 H new ATOM 0 HA LEU A 690 4.805 0.819 5.287 1.00 60.22 H new ATOM 0 HB2 LEU A 690 4.182 1.253 8.227 1.00 53.22 H new ATOM 0 HB3 LEU A 690 4.226 -0.327 7.469 1.00 53.22 H new ATOM 0 HG LEU A 690 6.550 1.528 7.942 1.00 70.15 H new ATOM 0 HD11 LEU A 690 7.247 -0.381 9.337 1.00 12.21 H new ATOM 0 HD12 LEU A 690 5.659 0.238 9.850 1.00 12.21 H new ATOM 0 HD13 LEU A 690 5.763 -1.252 8.882 1.00 12.21 H new ATOM 0 HD21 LEU A 690 7.907 -0.230 6.979 1.00 40.24 H new ATOM 0 HD22 LEU A 690 6.438 -1.137 6.546 1.00 40.24 H new ATOM 0 HD23 LEU A 690 6.769 0.437 5.786 1.00 40.24 H new ATOM 1618 N ILE A 691 2.391 0.253 5.139 1.00 54.40 N ATOM 1619 CA ILE A 691 1.021 -0.175 5.104 1.00 53.15 C ATOM 1620 C ILE A 691 0.999 -1.483 5.835 1.00 20.04 C ATOM 1621 O ILE A 691 1.808 -2.333 5.562 1.00 33.03 O ATOM 1622 CB ILE A 691 0.451 -0.450 3.671 1.00 60.10 C ATOM 1623 CG1 ILE A 691 0.407 0.775 2.751 1.00 41.21 C ATOM 1624 CG2 ILE A 691 -0.929 -1.041 3.774 1.00 55.33 C ATOM 1625 CD1 ILE A 691 1.750 1.406 2.428 1.00 34.43 C ATOM 0 H ILE A 691 2.991 -0.178 4.436 1.00 54.40 H new ATOM 0 HA ILE A 691 0.410 0.621 5.531 1.00 53.15 H new ATOM 0 HB ILE A 691 1.150 -1.149 3.211 1.00 60.10 H new ATOM 0 HG12 ILE A 691 -0.072 0.487 1.815 1.00 41.21 H new ATOM 0 HG13 ILE A 691 -0.227 1.531 3.214 1.00 41.21 H new ATOM 0 HG21 ILE A 691 -1.320 -1.230 2.774 1.00 55.33 H new ATOM 0 HG22 ILE A 691 -0.883 -1.978 4.328 1.00 55.33 H new ATOM 0 HG23 ILE A 691 -1.586 -0.344 4.294 1.00 55.33 H new ATOM 0 HD11 ILE A 691 1.601 2.263 1.771 1.00 34.43 H new ATOM 0 HD12 ILE A 691 2.229 1.735 3.350 1.00 34.43 H new ATOM 0 HD13 ILE A 691 2.386 0.674 1.930 1.00 34.43 H new ATOM 1632 N THR A 692 0.153 -1.623 6.766 1.00 54.33 N ATOM 1633 CA THR A 692 0.008 -2.856 7.448 1.00 45.40 C ATOM 1634 C THR A 692 -1.316 -3.481 7.017 1.00 13.40 C ATOM 1635 O THR A 692 -2.384 -2.868 7.186 1.00 12.14 O ATOM 1636 CB THR A 692 0.063 -2.596 8.951 1.00 44.34 C ATOM 1637 OG1 THR A 692 1.269 -1.839 9.199 1.00 20.41 O ATOM 1638 CG2 THR A 692 0.121 -3.903 9.729 1.00 14.34 C ATOM 0 H THR A 692 -0.471 -0.883 7.089 1.00 54.33 H new ATOM 0 HA THR A 692 0.811 -3.551 7.205 1.00 45.40 H new ATOM 0 HB THR A 692 -0.828 -2.058 9.273 1.00 44.34 H new ATOM 0 HG1 THR A 692 1.446 -1.812 10.163 1.00 20.41 H new ATOM 0 HG21 THR A 692 0.160 -3.689 10.797 1.00 14.34 H new ATOM 0 HG22 THR A 692 -0.766 -4.497 9.510 1.00 14.34 H new ATOM 0 HG23 THR A 692 1.011 -4.460 9.438 1.00 14.34 H new ATOM 1644 N PHE A 693 -1.246 -4.661 6.435 1.00 73.24 N ATOM 1645 CA PHE A 693 -2.418 -5.318 5.913 1.00 61.52 C ATOM 1646 C PHE A 693 -3.040 -6.154 6.998 1.00 14.14 C ATOM 1647 O PHE A 693 -2.441 -7.112 7.499 1.00 24.14 O ATOM 1648 CB PHE A 693 -2.070 -6.188 4.673 1.00 20.12 C ATOM 1649 CG PHE A 693 -1.398 -5.408 3.569 1.00 52.05 C ATOM 1650 CD1 PHE A 693 -2.139 -4.693 2.642 1.00 64.11 C ATOM 1651 CD2 PHE A 693 -0.021 -5.363 3.490 1.00 73.25 C ATOM 1652 CE1 PHE A 693 -1.503 -3.943 1.658 1.00 25.50 C ATOM 1653 CE2 PHE A 693 0.613 -4.627 2.513 1.00 71.25 C ATOM 1654 CZ PHE A 693 -0.129 -3.913 1.599 1.00 24.43 C ATOM 0 H PHE A 693 -0.380 -5.185 6.313 1.00 73.24 H new ATOM 0 HA PHE A 693 -3.132 -4.562 5.586 1.00 61.52 H new ATOM 0 HB2 PHE A 693 -1.417 -7.004 4.982 1.00 20.12 H new ATOM 0 HB3 PHE A 693 -2.984 -6.639 4.286 1.00 20.12 H new ATOM 0 HD1 PHE A 693 -3.218 -4.718 2.684 1.00 64.11 H new ATOM 0 HD2 PHE A 693 0.570 -5.914 4.206 1.00 73.25 H new ATOM 0 HE1 PHE A 693 -2.087 -3.385 0.941 1.00 25.50 H new ATOM 0 HE2 PHE A 693 1.692 -4.610 2.464 1.00 71.25 H new ATOM 0 HZ PHE A 693 0.367 -3.330 0.837 1.00 24.43 H new ATOM 1664 N LEU A 694 -4.217 -5.771 7.363 1.00 41.00 N ATOM 1665 CA LEU A 694 -4.962 -6.418 8.388 1.00 52.43 C ATOM 1666 C LEU A 694 -6.143 -7.086 7.751 1.00 45.43 C ATOM 1667 O LEU A 694 -6.609 -6.652 6.700 1.00 65.43 O ATOM 1668 CB LEU A 694 -5.415 -5.387 9.425 1.00 63.01 C ATOM 1669 CG LEU A 694 -4.288 -4.595 10.106 1.00 20.13 C ATOM 1670 CD1 LEU A 694 -4.854 -3.551 11.038 1.00 74.12 C ATOM 1671 CD2 LEU A 694 -3.354 -5.523 10.866 1.00 2.21 C ATOM 0 H LEU A 694 -4.700 -4.976 6.944 1.00 41.00 H new ATOM 0 HA LEU A 694 -4.351 -7.162 8.898 1.00 52.43 H new ATOM 0 HB2 LEU A 694 -6.089 -4.681 8.940 1.00 63.01 H new ATOM 0 HB3 LEU A 694 -5.991 -5.901 10.195 1.00 63.01 H new ATOM 0 HG LEU A 694 -3.716 -4.092 9.326 1.00 20.13 H new ATOM 0 HD11 LEU A 694 -4.038 -3.003 11.509 1.00 74.12 H new ATOM 0 HD12 LEU A 694 -5.478 -2.859 10.473 1.00 74.12 H new ATOM 0 HD13 LEU A 694 -5.455 -4.037 11.806 1.00 74.12 H new ATOM 0 HD21 LEU A 694 -2.565 -4.938 11.339 1.00 2.21 H new ATOM 0 HD22 LEU A 694 -3.916 -6.059 11.631 1.00 2.21 H new ATOM 0 HD23 LEU A 694 -2.910 -6.239 10.174 1.00 2.21 H new ATOM 1679 N CYS A 695 -6.623 -8.109 8.358 1.00 33.31 N ATOM 1680 CA CYS A 695 -7.681 -8.897 7.779 1.00 43.23 C ATOM 1681 C CYS A 695 -8.916 -8.807 8.659 1.00 30.12 C ATOM 1682 O CYS A 695 -9.715 -9.745 8.768 1.00 22.24 O ATOM 1683 CB CYS A 695 -7.182 -10.328 7.646 1.00 51.01 C ATOM 1684 SG CYS A 695 -8.296 -11.464 6.792 1.00 44.01 S ATOM 0 H CYS A 695 -6.303 -8.435 9.270 1.00 33.31 H new ATOM 0 HA CYS A 695 -7.957 -8.527 6.791 1.00 43.23 H new ATOM 0 HB2 CYS A 695 -6.229 -10.314 7.116 1.00 51.01 H new ATOM 0 HB3 CYS A 695 -6.986 -10.720 8.644 1.00 51.01 H new ATOM 1689 N ASP A 696 -9.080 -7.653 9.257 1.00 42.31 N ATOM 1690 CA ASP A 696 -10.203 -7.387 10.124 1.00 34.54 C ATOM 1691 C ASP A 696 -11.450 -7.243 9.262 1.00 22.32 C ATOM 1692 O ASP A 696 -11.472 -6.420 8.335 1.00 31.24 O ATOM 1693 CB ASP A 696 -9.960 -6.093 10.891 1.00 4.20 C ATOM 1694 CG ASP A 696 -10.925 -5.872 12.025 1.00 12.00 C ATOM 1695 OD1 ASP A 696 -12.056 -5.427 11.792 1.00 22.12 O ATOM 1696 OD2 ASP A 696 -10.534 -6.125 13.196 1.00 73.54 O ATOM 0 H ASP A 696 -8.436 -6.868 9.156 1.00 42.31 H new ATOM 0 HA ASP A 696 -10.330 -8.202 10.836 1.00 34.54 H new ATOM 0 HB2 ASP A 696 -8.944 -6.100 11.286 1.00 4.20 H new ATOM 0 HB3 ASP A 696 -10.027 -5.253 10.200 1.00 4.20 H new ATOM 1701 N ARG A 697 -12.457 -8.061 9.557 1.00 75.42 N ATOM 1702 CA ARG A 697 -13.731 -8.107 8.820 1.00 13.10 C ATOM 1703 C ARG A 697 -13.574 -8.701 7.418 1.00 15.24 C ATOM 1704 O ARG A 697 -12.465 -9.001 6.958 1.00 24.42 O ATOM 1705 CB ARG A 697 -14.424 -6.732 8.755 1.00 52.21 C ATOM 1706 CG ARG A 697 -14.847 -6.192 10.101 1.00 40.33 C ATOM 1707 CD ARG A 697 -15.484 -4.826 9.966 1.00 70.45 C ATOM 1708 NE ARG A 697 -15.967 -4.327 11.251 1.00 12.15 N ATOM 1709 CZ ARG A 697 -16.153 -3.046 11.561 1.00 25.51 C ATOM 1710 NH1 ARG A 697 -15.859 -2.086 10.675 1.00 52.14 N ATOM 1711 NH2 ARG A 697 -16.630 -2.727 12.762 1.00 73.55 N ATOM 0 H ARG A 697 -12.416 -8.726 10.329 1.00 75.42 H new ATOM 0 HA ARG A 697 -14.377 -8.774 9.390 1.00 13.10 H new ATOM 0 HB2 ARG A 697 -13.748 -6.018 8.285 1.00 52.21 H new ATOM 0 HB3 ARG A 697 -15.302 -6.809 8.114 1.00 52.21 H new ATOM 0 HG2 ARG A 697 -15.552 -6.881 10.567 1.00 40.33 H new ATOM 0 HG3 ARG A 697 -13.981 -6.129 10.759 1.00 40.33 H new ATOM 0 HD2 ARG A 697 -14.759 -4.125 9.553 1.00 70.45 H new ATOM 0 HD3 ARG A 697 -16.314 -4.879 9.261 1.00 70.45 H new ATOM 0 HE ARG A 697 -16.179 -5.018 11.971 1.00 12.15 H new ATOM 0 HH11 ARG A 697 -15.490 -2.335 9.757 1.00 52.14 H new ATOM 0 HH12 ARG A 697 -16.004 -1.106 10.918 1.00 52.14 H new ATOM 0 HH21 ARG A 697 -16.849 -3.461 13.435 1.00 73.55 H new ATOM 0 HH22 ARG A 697 -16.776 -1.748 13.009 1.00 73.55 H new ATOM 1723 N ASP A 698 -14.689 -8.900 6.762 1.00 31.31 N ATOM 1724 CA ASP A 698 -14.698 -9.420 5.414 1.00 34.30 C ATOM 1725 C ASP A 698 -14.880 -8.287 4.441 1.00 32.34 C ATOM 1726 O ASP A 698 -15.844 -7.518 4.539 1.00 60.35 O ATOM 1727 CB ASP A 698 -15.805 -10.455 5.243 1.00 24.44 C ATOM 1728 CG ASP A 698 -15.876 -11.040 3.844 1.00 13.21 C ATOM 1729 OD1 ASP A 698 -15.048 -11.915 3.509 1.00 64.01 O ATOM 1730 OD2 ASP A 698 -16.787 -10.666 3.083 1.00 62.42 O ATOM 0 H ASP A 698 -15.615 -8.707 7.144 1.00 31.31 H new ATOM 0 HA ASP A 698 -13.746 -9.912 5.217 1.00 34.30 H new ATOM 0 HB2 ASP A 698 -15.650 -11.263 5.959 1.00 24.44 H new ATOM 0 HB3 ASP A 698 -16.763 -9.994 5.485 1.00 24.44 H new ATOM 1735 N ALA A 699 -13.962 -8.171 3.531 1.00 43.31 N ATOM 1736 CA ALA A 699 -13.968 -7.125 2.541 1.00 23.41 C ATOM 1737 C ALA A 699 -13.395 -7.681 1.258 1.00 3.14 C ATOM 1738 O ALA A 699 -13.234 -8.891 1.131 1.00 41.31 O ATOM 1739 CB ALA A 699 -13.131 -5.943 3.032 1.00 24.50 C ATOM 0 H ALA A 699 -13.171 -8.810 3.450 1.00 43.31 H new ATOM 0 HA ALA A 699 -14.985 -6.774 2.367 1.00 23.41 H new ATOM 0 HB1 ALA A 699 -13.139 -5.154 2.280 1.00 24.50 H new ATOM 0 HB2 ALA A 699 -13.551 -5.561 3.962 1.00 24.50 H new ATOM 0 HB3 ALA A 699 -12.106 -6.270 3.204 1.00 24.50 H new ATOM 1745 N GLY A 700 -13.098 -6.829 0.322 1.00 62.03 N ATOM 1746 CA GLY A 700 -12.504 -7.271 -0.904 1.00 34.31 C ATOM 1747 C GLY A 700 -11.022 -7.004 -0.904 1.00 62.13 C ATOM 1748 O GLY A 700 -10.284 -7.537 -0.055 1.00 63.44 O ATOM 0 H GLY A 700 -13.258 -5.823 0.384 1.00 62.03 H new ATOM 0 HA2 GLY A 700 -12.686 -8.337 -1.039 1.00 34.31 H new ATOM 0 HA3 GLY A 700 -12.971 -6.759 -1.745 1.00 34.31 H new ATOM 1752 N VAL A 701 -10.588 -6.149 -1.818 1.00 71.54 N ATOM 1753 CA VAL A 701 -9.178 -5.784 -1.955 1.00 33.24 C ATOM 1754 C VAL A 701 -8.724 -4.942 -0.752 1.00 52.11 C ATOM 1755 O VAL A 701 -7.552 -4.945 -0.372 1.00 72.31 O ATOM 1756 CB VAL A 701 -8.919 -5.015 -3.291 1.00 3.22 C ATOM 1757 CG1 VAL A 701 -7.449 -4.678 -3.468 1.00 45.53 C ATOM 1758 CG2 VAL A 701 -9.407 -5.833 -4.475 1.00 20.53 C ATOM 0 H VAL A 701 -11.201 -5.686 -2.489 1.00 71.54 H new ATOM 0 HA VAL A 701 -8.593 -6.703 -1.980 1.00 33.24 H new ATOM 0 HB VAL A 701 -9.476 -4.079 -3.244 1.00 3.22 H new ATOM 0 HG11 VAL A 701 -7.309 -4.144 -4.408 1.00 45.53 H new ATOM 0 HG12 VAL A 701 -7.117 -4.050 -2.641 1.00 45.53 H new ATOM 0 HG13 VAL A 701 -6.864 -5.598 -3.483 1.00 45.53 H new ATOM 0 HG21 VAL A 701 -9.220 -5.284 -5.398 1.00 20.53 H new ATOM 0 HG22 VAL A 701 -8.875 -6.784 -4.504 1.00 20.53 H new ATOM 0 HG23 VAL A 701 -10.476 -6.018 -4.373 1.00 20.53 H new ATOM 1764 N GLY A 702 -9.665 -4.273 -0.135 1.00 55.43 N ATOM 1765 CA GLY A 702 -9.380 -3.478 1.022 1.00 24.43 C ATOM 1766 C GLY A 702 -8.934 -2.082 0.689 1.00 32.05 C ATOM 1767 O GLY A 702 -8.473 -1.806 -0.426 1.00 54.54 O ATOM 0 H GLY A 702 -10.644 -4.267 -0.422 1.00 55.43 H new ATOM 0 HA2 GLY A 702 -10.271 -3.428 1.648 1.00 24.43 H new ATOM 0 HA3 GLY A 702 -8.605 -3.969 1.610 1.00 24.43 H new ATOM 1771 N PHE A 703 -9.120 -1.201 1.618 1.00 13.51 N ATOM 1772 CA PHE A 703 -8.704 0.159 1.473 1.00 5.34 C ATOM 1773 C PHE A 703 -7.669 0.501 2.565 1.00 41.01 C ATOM 1774 O PHE A 703 -7.825 0.074 3.716 1.00 75.13 O ATOM 1775 CB PHE A 703 -9.935 1.075 1.557 1.00 63.41 C ATOM 1776 CG PHE A 703 -9.646 2.522 1.327 1.00 65.11 C ATOM 1777 CD1 PHE A 703 -9.362 2.983 0.055 1.00 12.22 C ATOM 1778 CD2 PHE A 703 -9.661 3.423 2.375 1.00 61.35 C ATOM 1779 CE1 PHE A 703 -9.097 4.308 -0.166 1.00 44.55 C ATOM 1780 CE2 PHE A 703 -9.395 4.756 2.157 1.00 62.32 C ATOM 1781 CZ PHE A 703 -9.111 5.195 0.883 1.00 61.41 C ATOM 0 H PHE A 703 -9.570 -1.407 2.510 1.00 13.51 H new ATOM 0 HA PHE A 703 -8.231 0.309 0.503 1.00 5.34 H new ATOM 0 HB2 PHE A 703 -10.670 0.743 0.824 1.00 63.41 H new ATOM 0 HB3 PHE A 703 -10.391 0.960 2.540 1.00 63.41 H new ATOM 0 HD1 PHE A 703 -9.349 2.290 -0.774 1.00 12.22 H new ATOM 0 HD2 PHE A 703 -9.883 3.078 3.374 1.00 61.35 H new ATOM 0 HE1 PHE A 703 -8.877 4.656 -1.165 1.00 44.55 H new ATOM 0 HE2 PHE A 703 -9.409 5.454 2.981 1.00 62.32 H new ATOM 0 HZ PHE A 703 -8.899 6.239 0.708 1.00 61.41 H new ATOM 1791 N PRO A 704 -6.578 1.220 2.217 1.00 43.11 N ATOM 1792 CA PRO A 704 -5.602 1.681 3.208 1.00 11.30 C ATOM 1793 C PRO A 704 -6.133 2.875 3.981 1.00 43.31 C ATOM 1794 O PRO A 704 -6.720 3.773 3.410 1.00 51.12 O ATOM 1795 CB PRO A 704 -4.415 2.129 2.355 1.00 30.11 C ATOM 1796 CG PRO A 704 -5.007 2.501 1.039 1.00 44.24 C ATOM 1797 CD PRO A 704 -6.208 1.614 0.845 1.00 70.12 C ATOM 0 HA PRO A 704 -5.361 0.910 3.939 1.00 11.30 H new ATOM 0 HB2 PRO A 704 -3.899 2.975 2.809 1.00 30.11 H new ATOM 0 HB3 PRO A 704 -3.682 1.329 2.247 1.00 30.11 H new ATOM 0 HG2 PRO A 704 -5.295 3.552 1.026 1.00 44.24 H new ATOM 0 HG3 PRO A 704 -4.285 2.358 0.235 1.00 44.24 H new ATOM 0 HD2 PRO A 704 -7.021 2.144 0.348 1.00 70.12 H new ATOM 0 HD3 PRO A 704 -5.970 0.746 0.230 1.00 70.12 H new ATOM 1805 N GLU A 705 -5.933 2.887 5.262 1.00 70.43 N ATOM 1806 CA GLU A 705 -6.391 3.986 6.071 1.00 53.52 C ATOM 1807 C GLU A 705 -5.285 4.481 6.977 1.00 2.15 C ATOM 1808 O GLU A 705 -4.564 3.694 7.568 1.00 14.42 O ATOM 1809 CB GLU A 705 -7.604 3.565 6.871 1.00 23.42 C ATOM 1810 CG GLU A 705 -8.793 3.174 6.000 1.00 42.41 C ATOM 1811 CD GLU A 705 -10.028 2.863 6.792 1.00 32.11 C ATOM 1812 OE1 GLU A 705 -10.052 1.844 7.499 1.00 45.45 O ATOM 1813 OE2 GLU A 705 -11.005 3.651 6.721 1.00 2.13 O ATOM 0 H GLU A 705 -5.454 2.148 5.777 1.00 70.43 H new ATOM 0 HA GLU A 705 -6.677 4.811 5.418 1.00 53.52 H new ATOM 0 HB2 GLU A 705 -7.336 2.722 7.508 1.00 23.42 H new ATOM 0 HB3 GLU A 705 -7.898 4.382 7.530 1.00 23.42 H new ATOM 0 HG2 GLU A 705 -9.009 3.986 5.306 1.00 42.41 H new ATOM 0 HG3 GLU A 705 -8.525 2.304 5.400 1.00 42.41 H new ATOM 1820 N TYR A 706 -5.147 5.780 7.079 1.00 45.31 N ATOM 1821 CA TYR A 706 -4.094 6.374 7.883 1.00 11.53 C ATOM 1822 C TYR A 706 -4.454 6.268 9.361 1.00 63.13 C ATOM 1823 O TYR A 706 -5.595 6.559 9.739 1.00 41.12 O ATOM 1824 CB TYR A 706 -3.879 7.844 7.466 1.00 52.30 C ATOM 1825 CG TYR A 706 -2.728 8.543 8.167 1.00 60.04 C ATOM 1826 CD1 TYR A 706 -1.494 7.918 8.308 1.00 34.03 C ATOM 1827 CD2 TYR A 706 -2.868 9.832 8.660 1.00 64.21 C ATOM 1828 CE1 TYR A 706 -0.440 8.552 8.925 1.00 72.24 C ATOM 1829 CE2 TYR A 706 -1.814 10.477 9.277 1.00 21.52 C ATOM 1830 CZ TYR A 706 -0.599 9.831 9.407 1.00 30.02 C ATOM 1831 OH TYR A 706 0.462 10.471 10.035 1.00 2.42 O ATOM 0 H TYR A 706 -5.753 6.455 6.613 1.00 45.31 H new ATOM 0 HA TYR A 706 -3.161 5.836 7.718 1.00 11.53 H new ATOM 0 HB2 TYR A 706 -3.707 7.880 6.390 1.00 52.30 H new ATOM 0 HB3 TYR A 706 -4.796 8.400 7.661 1.00 52.30 H new ATOM 0 HD1 TYR A 706 -1.360 6.917 7.926 1.00 34.03 H new ATOM 0 HD2 TYR A 706 -3.816 10.339 8.560 1.00 64.21 H new ATOM 0 HE1 TYR A 706 0.509 8.047 9.031 1.00 72.24 H new ATOM 0 HE2 TYR A 706 -1.939 11.481 9.656 1.00 21.52 H new ATOM 0 HH TYR A 706 1.180 10.627 9.387 1.00 2.42 H new ATOM 1841 N GLN A 707 -3.495 5.826 10.188 1.00 2.24 N ATOM 1842 CA GLN A 707 -3.734 5.661 11.629 1.00 10.24 C ATOM 1843 C GLN A 707 -4.223 6.978 12.287 1.00 5.33 C ATOM 1844 O GLN A 707 -5.346 7.040 12.805 1.00 40.21 O ATOM 1845 CB GLN A 707 -2.487 5.055 12.363 1.00 22.23 C ATOM 1846 CG GLN A 707 -1.189 5.849 12.254 1.00 23.11 C ATOM 1847 CD GLN A 707 -0.081 5.242 13.096 1.00 52.53 C ATOM 1848 OE1 GLN A 707 -0.049 4.035 13.331 1.00 73.33 O ATOM 1849 NE2 GLN A 707 0.828 6.062 13.553 1.00 62.31 N ATOM 0 H GLN A 707 -2.553 5.578 9.886 1.00 2.24 H new ATOM 0 HA GLN A 707 -4.542 4.938 11.740 1.00 10.24 H new ATOM 0 HB2 GLN A 707 -2.732 4.943 13.419 1.00 22.23 H new ATOM 0 HB3 GLN A 707 -2.310 4.054 11.969 1.00 22.23 H new ATOM 0 HG2 GLN A 707 -0.873 5.887 11.211 1.00 23.11 H new ATOM 0 HG3 GLN A 707 -1.365 6.877 12.572 1.00 23.11 H new ATOM 0 HE21 GLN A 707 0.771 7.058 13.339 1.00 62.31 H new ATOM 0 HE22 GLN A 707 1.595 5.706 14.124 1.00 62.31 H new ATOM 1857 N GLU A 708 -3.386 8.000 12.221 1.00 20.41 N ATOM 1858 CA GLU A 708 -3.608 9.340 12.748 1.00 35.52 C ATOM 1859 C GLU A 708 -2.279 10.037 12.578 1.00 34.15 C ATOM 1860 O GLU A 708 -1.263 9.334 12.441 1.00 65.22 O ATOM 1861 CB GLU A 708 -4.028 9.297 14.232 1.00 0.41 C ATOM 1862 CG GLU A 708 -4.324 10.653 14.845 1.00 34.13 C ATOM 1863 CD GLU A 708 -4.866 10.539 16.236 1.00 24.31 C ATOM 1864 OE1 GLU A 708 -4.079 10.310 17.174 1.00 13.32 O ATOM 1865 OE2 GLU A 708 -6.105 10.672 16.417 1.00 42.23 O ATOM 0 H GLU A 708 -2.475 7.912 11.770 1.00 20.41 H new ATOM 0 HA GLU A 708 -4.416 9.857 12.230 1.00 35.52 H new ATOM 0 HB2 GLU A 708 -4.914 8.669 14.327 1.00 0.41 H new ATOM 0 HB3 GLU A 708 -3.235 8.819 14.807 1.00 0.41 H new ATOM 0 HG2 GLU A 708 -3.412 11.250 14.860 1.00 34.13 H new ATOM 0 HG3 GLU A 708 -5.042 11.184 14.220 1.00 34.13 H new ATOM 1872 N GLU A 709 -2.247 11.366 12.553 1.00 13.42 N ATOM 1873 CA GLU A 709 -1.001 12.064 12.258 1.00 13.24 C ATOM 1874 C GLU A 709 0.101 11.793 13.262 1.00 50.03 C ATOM 1875 O GLU A 709 -0.042 12.011 14.471 1.00 4.21 O ATOM 1876 CB GLU A 709 -1.182 13.559 11.980 1.00 4.11 C ATOM 1877 CG GLU A 709 -1.751 14.380 13.112 1.00 73.54 C ATOM 1878 CD GLU A 709 -1.870 15.824 12.718 1.00 4.54 C ATOM 1879 OE1 GLU A 709 -2.862 16.183 12.079 1.00 43.45 O ATOM 1880 OE2 GLU A 709 -0.955 16.623 13.014 1.00 32.44 O ATOM 0 H GLU A 709 -3.050 11.970 12.729 1.00 13.42 H new ATOM 0 HA GLU A 709 -0.664 11.626 11.319 1.00 13.24 H new ATOM 0 HB2 GLU A 709 -0.213 13.977 11.706 1.00 4.11 H new ATOM 0 HB3 GLU A 709 -1.834 13.671 11.114 1.00 4.11 H new ATOM 0 HG2 GLU A 709 -2.731 13.993 13.391 1.00 73.54 H new ATOM 0 HG3 GLU A 709 -1.111 14.290 13.990 1.00 73.54 H new ATOM 1887 N ASP A 710 1.173 11.274 12.747 1.00 25.51 N ATOM 1888 CA ASP A 710 2.358 10.979 13.513 1.00 71.22 C ATOM 1889 C ASP A 710 3.300 12.172 13.391 1.00 40.41 C ATOM 1890 O ASP A 710 2.982 13.141 12.690 1.00 11.45 O ATOM 1891 CB ASP A 710 3.012 9.693 12.944 1.00 73.51 C ATOM 1892 CG ASP A 710 4.276 9.246 13.668 1.00 11.24 C ATOM 1893 OD1 ASP A 710 4.178 8.485 14.639 1.00 72.22 O ATOM 1894 OD2 ASP A 710 5.382 9.674 13.278 1.00 52.43 O ATOM 0 H ASP A 710 1.256 11.036 11.759 1.00 25.51 H new ATOM 0 HA ASP A 710 2.124 10.809 14.564 1.00 71.22 H new ATOM 0 HB2 ASP A 710 2.283 8.884 12.982 1.00 73.51 H new ATOM 0 HB3 ASP A 710 3.251 9.858 11.893 1.00 73.51 H new ATOM 1899 N ASN A 711 4.426 12.126 14.053 1.00 24.55 N ATOM 1900 CA ASN A 711 5.408 13.178 13.956 1.00 33.54 C ATOM 1901 C ASN A 711 6.044 13.176 12.582 1.00 63.33 C ATOM 1902 O ASN A 711 6.400 14.244 12.057 1.00 44.20 O ATOM 1903 CB ASN A 711 6.478 13.045 15.042 1.00 50.35 C ATOM 1904 CG ASN A 711 5.919 13.222 16.438 1.00 54.12 C ATOM 1905 OD1 ASN A 711 4.958 13.955 16.645 1.00 42.03 O ATOM 1906 ND2 ASN A 711 6.500 12.551 17.393 1.00 11.10 N ATOM 0 H ASN A 711 4.690 11.361 14.674 1.00 24.55 H new ATOM 0 HA ASN A 711 4.898 14.129 14.108 1.00 33.54 H new ATOM 0 HB2 ASN A 711 6.948 12.065 14.965 1.00 50.35 H new ATOM 0 HB3 ASN A 711 7.258 13.787 14.871 1.00 50.35 H new ATOM 0 HD21 ASN A 711 6.157 12.626 18.351 1.00 11.10 H new ATOM 0 HD22 ASN A 711 7.297 11.951 17.182 1.00 11.10 H new ATOM 1912 N SER A 712 6.164 11.977 11.981 1.00 53.40 N ATOM 1913 CA SER A 712 6.740 11.848 10.647 1.00 12.33 C ATOM 1914 C SER A 712 6.550 10.444 10.006 1.00 1.51 C ATOM 1915 O SER A 712 6.491 10.328 8.796 1.00 60.53 O ATOM 1916 CB SER A 712 8.224 12.270 10.653 1.00 31.03 C ATOM 1917 OG SER A 712 8.966 11.578 11.658 1.00 33.34 O ATOM 0 H SER A 712 5.870 11.096 12.402 1.00 53.40 H new ATOM 0 HA SER A 712 6.179 12.530 10.009 1.00 12.33 H new ATOM 0 HB2 SER A 712 8.663 12.071 9.675 1.00 31.03 H new ATOM 0 HB3 SER A 712 8.296 13.344 10.822 1.00 31.03 H new ATOM 0 HG SER A 712 9.902 11.868 11.632 1.00 33.34 H new ATOM 1923 N THR A 713 6.426 9.409 10.808 1.00 30.43 N ATOM 1924 CA THR A 713 6.338 8.050 10.288 1.00 20.45 C ATOM 1925 C THR A 713 4.871 7.694 9.955 1.00 31.34 C ATOM 1926 O THR A 713 4.012 7.687 10.825 1.00 13.22 O ATOM 1927 CB THR A 713 6.907 7.054 11.326 1.00 51.32 C ATOM 1928 OG1 THR A 713 8.248 7.460 11.680 1.00 3.35 O ATOM 1929 CG2 THR A 713 6.950 5.638 10.759 1.00 53.32 C ATOM 0 H THR A 713 6.383 9.476 11.825 1.00 30.43 H new ATOM 0 HA THR A 713 6.925 7.984 9.372 1.00 20.45 H new ATOM 0 HB THR A 713 6.260 7.058 12.203 1.00 51.32 H new ATOM 0 HG1 THR A 713 8.616 6.835 12.339 1.00 3.35 H new ATOM 0 HG21 THR A 713 7.354 4.958 11.509 1.00 53.32 H new ATOM 0 HG22 THR A 713 5.942 5.323 10.489 1.00 53.32 H new ATOM 0 HG23 THR A 713 7.585 5.620 9.873 1.00 53.32 H new ATOM 1935 N TYR A 714 4.600 7.404 8.699 1.00 73.35 N ATOM 1936 CA TYR A 714 3.241 7.130 8.268 1.00 13.23 C ATOM 1937 C TYR A 714 2.910 5.636 8.288 1.00 33.13 C ATOM 1938 O TYR A 714 3.562 4.827 7.610 1.00 74.04 O ATOM 1939 CB TYR A 714 2.977 7.746 6.881 1.00 23.31 C ATOM 1940 CG TYR A 714 3.092 9.259 6.876 1.00 73.34 C ATOM 1941 CD1 TYR A 714 2.039 10.038 7.292 1.00 5.54 C ATOM 1942 CD2 TYR A 714 4.256 9.900 6.478 1.00 51.34 C ATOM 1943 CE1 TYR A 714 2.123 11.408 7.327 1.00 62.22 C ATOM 1944 CE2 TYR A 714 4.345 11.285 6.505 1.00 54.42 C ATOM 1945 CZ TYR A 714 3.274 12.026 6.935 1.00 72.02 C ATOM 1946 OH TYR A 714 3.360 13.406 6.986 1.00 75.34 O ATOM 0 H TYR A 714 5.300 7.352 7.959 1.00 73.35 H new ATOM 0 HA TYR A 714 2.573 7.602 8.988 1.00 13.23 H new ATOM 0 HB2 TYR A 714 3.685 7.330 6.164 1.00 23.31 H new ATOM 0 HB3 TYR A 714 1.980 7.461 6.546 1.00 23.31 H new ATOM 0 HD1 TYR A 714 1.121 9.560 7.600 1.00 5.54 H new ATOM 0 HD2 TYR A 714 5.101 9.316 6.144 1.00 51.34 H new ATOM 0 HE1 TYR A 714 1.281 11.994 7.664 1.00 62.22 H new ATOM 0 HE2 TYR A 714 5.253 11.777 6.189 1.00 54.42 H new ATOM 0 HH TYR A 714 4.298 13.678 6.909 1.00 75.34 H new ATOM 1956 N ASN A 715 1.909 5.267 9.082 1.00 40.24 N ATOM 1957 CA ASN A 715 1.456 3.884 9.155 1.00 25.41 C ATOM 1958 C ASN A 715 0.022 3.819 8.670 1.00 73.24 C ATOM 1959 O ASN A 715 -0.818 4.655 9.057 1.00 61.53 O ATOM 1960 CB ASN A 715 1.507 3.330 10.586 1.00 11.42 C ATOM 1961 CG ASN A 715 1.310 1.800 10.655 1.00 2.12 C ATOM 1962 OD1 ASN A 715 0.762 1.277 11.615 1.00 32.31 O ATOM 1963 ND2 ASN A 715 1.785 1.077 9.652 1.00 33.14 N ATOM 0 H ASN A 715 1.396 5.910 9.685 1.00 40.24 H new ATOM 0 HA ASN A 715 2.121 3.282 8.535 1.00 25.41 H new ATOM 0 HB2 ASN A 715 2.467 3.586 11.034 1.00 11.42 H new ATOM 0 HB3 ASN A 715 0.736 3.816 11.184 1.00 11.42 H new ATOM 0 HD21 ASN A 715 1.698 0.061 9.670 1.00 33.14 H new ATOM 0 HD22 ASN A 715 2.238 1.536 8.862 1.00 33.14 H new ATOM 1969 N PHE A 716 -0.253 2.871 7.833 1.00 13.34 N ATOM 1970 CA PHE A 716 -1.562 2.687 7.282 1.00 20.32 C ATOM 1971 C PHE A 716 -2.138 1.356 7.656 1.00 32.24 C ATOM 1972 O PHE A 716 -1.447 0.343 7.632 1.00 3.13 O ATOM 1973 CB PHE A 716 -1.530 2.861 5.763 1.00 3.32 C ATOM 1974 CG PHE A 716 -1.262 4.270 5.366 1.00 40.11 C ATOM 1975 CD1 PHE A 716 0.033 4.739 5.237 1.00 70.01 C ATOM 1976 CD2 PHE A 716 -2.307 5.137 5.147 1.00 14.21 C ATOM 1977 CE1 PHE A 716 0.271 6.049 4.900 1.00 71.33 C ATOM 1978 CE2 PHE A 716 -2.074 6.441 4.805 1.00 65.40 C ATOM 1979 CZ PHE A 716 -0.785 6.897 4.685 1.00 74.40 C ATOM 0 H PHE A 716 0.434 2.191 7.506 1.00 13.34 H new ATOM 0 HA PHE A 716 -2.213 3.451 7.706 1.00 20.32 H new ATOM 0 HB2 PHE A 716 -0.762 2.213 5.341 1.00 3.32 H new ATOM 0 HB3 PHE A 716 -2.483 2.541 5.342 1.00 3.32 H new ATOM 0 HD1 PHE A 716 0.864 4.069 5.403 1.00 70.01 H new ATOM 0 HD2 PHE A 716 -3.323 4.784 5.246 1.00 14.21 H new ATOM 0 HE1 PHE A 716 1.285 6.409 4.805 1.00 71.33 H new ATOM 0 HE2 PHE A 716 -2.903 7.111 4.630 1.00 65.40 H new ATOM 0 HZ PHE A 716 -0.602 7.928 4.420 1.00 74.40 H new ATOM 1989 N ARG A 717 -3.389 1.367 8.014 1.00 41.43 N ATOM 1990 CA ARG A 717 -4.104 0.178 8.344 1.00 31.50 C ATOM 1991 C ARG A 717 -4.977 -0.162 7.182 1.00 53.14 C ATOM 1992 O ARG A 717 -5.970 0.494 6.925 1.00 20.34 O ATOM 1993 CB ARG A 717 -4.937 0.348 9.618 1.00 1.22 C ATOM 1994 CG ARG A 717 -4.106 0.785 10.795 1.00 22.52 C ATOM 1995 CD ARG A 717 -4.888 0.799 12.110 1.00 62.03 C ATOM 1996 NE ARG A 717 -6.069 1.684 12.082 1.00 65.11 N ATOM 1997 CZ ARG A 717 -6.501 2.409 13.132 1.00 12.32 C ATOM 1998 NH1 ARG A 717 -5.795 2.445 14.266 1.00 13.43 N ATOM 1999 NH2 ARG A 717 -7.631 3.092 13.047 1.00 54.21 N ATOM 0 H ARG A 717 -3.946 2.218 8.085 1.00 41.43 H new ATOM 0 HA ARG A 717 -3.398 -0.628 8.544 1.00 31.50 H new ATOM 0 HB2 ARG A 717 -5.723 1.082 9.439 1.00 1.22 H new ATOM 0 HB3 ARG A 717 -5.430 -0.595 9.855 1.00 1.22 H new ATOM 0 HG2 ARG A 717 -3.250 0.118 10.895 1.00 22.52 H new ATOM 0 HG3 ARG A 717 -3.712 1.783 10.603 1.00 22.52 H new ATOM 0 HD2 ARG A 717 -5.210 -0.216 12.343 1.00 62.03 H new ATOM 0 HD3 ARG A 717 -4.225 1.116 12.915 1.00 62.03 H new ATOM 0 HE ARG A 717 -6.593 1.751 11.209 1.00 65.11 H new ATOM 0 HH11 ARG A 717 -4.923 1.921 14.341 1.00 13.43 H new ATOM 0 HH12 ARG A 717 -6.128 2.996 15.057 1.00 13.43 H new ATOM 0 HH21 ARG A 717 -8.177 3.070 12.185 1.00 54.21 H new ATOM 0 HH22 ARG A 717 -7.957 3.640 13.843 1.00 54.21 H new ATOM 2011 N TRP A 718 -4.567 -1.128 6.464 1.00 74.31 N ATOM 2012 CA TRP A 718 -5.260 -1.565 5.286 1.00 43.53 C ATOM 2013 C TRP A 718 -6.065 -2.785 5.666 1.00 50.31 C ATOM 2014 O TRP A 718 -5.497 -3.813 6.019 1.00 53.44 O ATOM 2015 CB TRP A 718 -4.212 -1.927 4.213 1.00 33.25 C ATOM 2016 CG TRP A 718 -4.736 -2.254 2.834 1.00 42.12 C ATOM 2017 CD1 TRP A 718 -5.711 -3.142 2.508 1.00 42.51 C ATOM 2018 CD2 TRP A 718 -4.248 -1.728 1.584 1.00 24.11 C ATOM 2019 NE1 TRP A 718 -5.881 -3.182 1.151 1.00 62.12 N ATOM 2020 CE2 TRP A 718 -5.000 -2.329 0.565 1.00 14.40 C ATOM 2021 CE3 TRP A 718 -3.254 -0.797 1.226 1.00 15.04 C ATOM 2022 CZ2 TRP A 718 -4.802 -2.043 -0.772 1.00 14.44 C ATOM 2023 CZ3 TRP A 718 -3.063 -0.520 -0.106 1.00 33.25 C ATOM 2024 CH2 TRP A 718 -3.834 -1.139 -1.087 1.00 20.15 C ATOM 0 H TRP A 718 -3.722 -1.661 6.669 1.00 74.31 H new ATOM 0 HA TRP A 718 -5.919 -0.792 4.891 1.00 43.53 H new ATOM 0 HB2 TRP A 718 -3.515 -1.093 4.123 1.00 33.25 H new ATOM 0 HB3 TRP A 718 -3.640 -2.783 4.571 1.00 33.25 H new ATOM 0 HD1 TRP A 718 -6.272 -3.732 3.218 1.00 42.51 H new ATOM 0 HE1 TRP A 718 -6.561 -3.760 0.657 1.00 62.12 H new ATOM 0 HE3 TRP A 718 -2.655 -0.311 1.982 1.00 15.04 H new ATOM 0 HZ2 TRP A 718 -5.394 -2.519 -1.540 1.00 14.44 H new ATOM 0 HZ3 TRP A 718 -2.303 0.189 -0.397 1.00 33.25 H new ATOM 0 HH2 TRP A 718 -3.659 -0.895 -2.125 1.00 20.15 H new ATOM 2035 N TYR A 719 -7.360 -2.676 5.634 1.00 3.12 N ATOM 2036 CA TYR A 719 -8.187 -3.806 5.981 1.00 41.23 C ATOM 2037 C TYR A 719 -8.611 -4.524 4.727 1.00 5.22 C ATOM 2038 O TYR A 719 -9.437 -4.029 3.966 1.00 71.23 O ATOM 2039 CB TYR A 719 -9.396 -3.366 6.807 1.00 72.45 C ATOM 2040 CG TYR A 719 -9.016 -2.721 8.121 1.00 53.34 C ATOM 2041 CD1 TYR A 719 -8.643 -3.494 9.201 1.00 75.02 C ATOM 2042 CD2 TYR A 719 -9.032 -1.342 8.282 1.00 44.01 C ATOM 2043 CE1 TYR A 719 -8.295 -2.926 10.408 1.00 4.31 C ATOM 2044 CE2 TYR A 719 -8.685 -0.763 9.488 1.00 64.21 C ATOM 2045 CZ TYR A 719 -8.317 -1.562 10.548 1.00 24.40 C ATOM 2046 OH TYR A 719 -7.962 -0.994 11.755 1.00 11.21 O ATOM 0 H TYR A 719 -7.867 -1.830 5.375 1.00 3.12 H new ATOM 0 HA TYR A 719 -7.609 -4.494 6.598 1.00 41.23 H new ATOM 0 HB2 TYR A 719 -9.991 -2.663 6.223 1.00 72.45 H new ATOM 0 HB3 TYR A 719 -10.028 -4.232 7.004 1.00 72.45 H new ATOM 0 HD1 TYR A 719 -8.623 -4.569 9.099 1.00 75.02 H new ATOM 0 HD2 TYR A 719 -9.320 -0.713 7.453 1.00 44.01 H new ATOM 0 HE1 TYR A 719 -8.006 -3.552 11.239 1.00 4.31 H new ATOM 0 HE2 TYR A 719 -8.702 0.311 9.599 1.00 64.21 H new ATOM 0 HH TYR A 719 -8.029 -0.018 11.690 1.00 11.21 H new ATOM 2056 N THR A 720 -8.031 -5.671 4.514 1.00 53.13 N ATOM 2057 CA THR A 720 -8.260 -6.453 3.337 1.00 53.24 C ATOM 2058 C THR A 720 -8.477 -7.913 3.675 1.00 25.24 C ATOM 2059 O THR A 720 -7.855 -8.449 4.597 1.00 1.42 O ATOM 2060 CB THR A 720 -7.101 -6.306 2.314 1.00 60.03 C ATOM 2061 OG1 THR A 720 -7.320 -7.143 1.176 1.00 60.54 O ATOM 2062 CG2 THR A 720 -5.757 -6.631 2.925 1.00 73.14 C ATOM 0 H THR A 720 -7.373 -6.095 5.168 1.00 53.13 H new ATOM 0 HA THR A 720 -9.170 -6.068 2.876 1.00 53.24 H new ATOM 0 HB THR A 720 -7.089 -5.262 2.003 1.00 60.03 H new ATOM 0 HG1 THR A 720 -7.230 -6.612 0.357 1.00 60.54 H new ATOM 0 HG21 THR A 720 -4.977 -6.514 2.172 1.00 73.14 H new ATOM 0 HG22 THR A 720 -5.562 -5.954 3.757 1.00 73.14 H new ATOM 0 HG23 THR A 720 -5.761 -7.659 3.287 1.00 73.14 H new ATOM 2068 N SER A 721 -9.356 -8.553 2.935 1.00 22.11 N ATOM 2069 CA SER A 721 -9.610 -9.958 3.107 1.00 60.43 C ATOM 2070 C SER A 721 -8.394 -10.745 2.596 1.00 60.53 C ATOM 2071 O SER A 721 -8.111 -11.864 3.053 1.00 22.44 O ATOM 2072 CB SER A 721 -10.880 -10.353 2.351 1.00 54.31 C ATOM 2073 OG SER A 721 -11.228 -11.708 2.564 1.00 22.42 O ATOM 0 H SER A 721 -9.910 -8.112 2.201 1.00 22.11 H new ATOM 0 HA SER A 721 -9.764 -10.188 4.161 1.00 60.43 H new ATOM 0 HB2 SER A 721 -11.704 -9.714 2.669 1.00 54.31 H new ATOM 0 HB3 SER A 721 -10.735 -10.180 1.285 1.00 54.31 H new ATOM 0 HG SER A 721 -12.045 -11.918 2.065 1.00 22.42 H new ATOM 2079 N TYR A 722 -7.649 -10.126 1.669 1.00 32.31 N ATOM 2080 CA TYR A 722 -6.469 -10.741 1.093 1.00 43.33 C ATOM 2081 C TYR A 722 -5.379 -10.965 2.105 1.00 64.50 C ATOM 2082 O TYR A 722 -4.523 -11.779 1.881 1.00 32.14 O ATOM 2083 CB TYR A 722 -5.924 -9.968 -0.110 1.00 61.54 C ATOM 2084 CG TYR A 722 -6.773 -10.064 -1.351 1.00 60.31 C ATOM 2085 CD1 TYR A 722 -6.565 -11.087 -2.267 1.00 72.12 C ATOM 2086 CD2 TYR A 722 -7.772 -9.146 -1.615 1.00 51.14 C ATOM 2087 CE1 TYR A 722 -7.327 -11.192 -3.408 1.00 33.52 C ATOM 2088 CE2 TYR A 722 -8.543 -9.243 -2.758 1.00 63.32 C ATOM 2089 CZ TYR A 722 -8.314 -10.268 -3.650 1.00 3.43 C ATOM 2090 OH TYR A 722 -9.074 -10.368 -4.784 1.00 75.20 O ATOM 0 H TYR A 722 -7.854 -9.194 1.308 1.00 32.31 H new ATOM 0 HA TYR A 722 -6.803 -11.716 0.738 1.00 43.33 H new ATOM 0 HB2 TYR A 722 -5.822 -8.918 0.165 1.00 61.54 H new ATOM 0 HB3 TYR A 722 -4.924 -10.336 -0.340 1.00 61.54 H new ATOM 0 HD1 TYR A 722 -5.789 -11.815 -2.080 1.00 72.12 H new ATOM 0 HD2 TYR A 722 -7.953 -8.341 -0.918 1.00 51.14 H new ATOM 0 HE1 TYR A 722 -7.150 -11.995 -4.108 1.00 33.52 H new ATOM 0 HE2 TYR A 722 -9.321 -8.519 -2.951 1.00 63.32 H new ATOM 0 HH TYR A 722 -9.728 -9.638 -4.805 1.00 75.20 H new ATOM 2100 N ALA A 723 -5.426 -10.250 3.233 1.00 14.51 N ATOM 2101 CA ALA A 723 -4.422 -10.404 4.284 1.00 64.32 C ATOM 2102 C ALA A 723 -4.547 -11.758 5.009 1.00 61.11 C ATOM 2103 O ALA A 723 -3.680 -12.124 5.804 1.00 64.21 O ATOM 2104 CB ALA A 723 -4.486 -9.247 5.261 1.00 44.24 C ATOM 0 H ALA A 723 -6.149 -9.560 3.439 1.00 14.51 H new ATOM 0 HA ALA A 723 -3.443 -10.392 3.805 1.00 64.32 H new ATOM 0 HB1 ALA A 723 -3.730 -9.382 6.035 1.00 44.24 H new ATOM 0 HB2 ALA A 723 -4.300 -8.313 4.731 1.00 44.24 H new ATOM 0 HB3 ALA A 723 -5.474 -9.213 5.721 1.00 44.24 H new ATOM 2110 N CYS A 724 -5.620 -12.479 4.744 1.00 74.51 N ATOM 2111 CA CYS A 724 -5.785 -13.825 5.270 1.00 64.25 C ATOM 2112 C CYS A 724 -5.582 -14.823 4.168 1.00 14.12 C ATOM 2113 O CYS A 724 -6.209 -14.709 3.115 1.00 64.12 O ATOM 2114 CB CYS A 724 -7.187 -14.076 5.838 1.00 64.52 C ATOM 2115 SG CYS A 724 -7.588 -13.244 7.384 1.00 24.11 S ATOM 0 H CYS A 724 -6.395 -12.155 4.165 1.00 74.51 H new ATOM 0 HA CYS A 724 -5.052 -13.931 6.069 1.00 64.25 H new ATOM 0 HB2 CYS A 724 -7.918 -13.774 5.088 1.00 64.52 H new ATOM 0 HB3 CYS A 724 -7.308 -15.149 5.987 1.00 64.52 H new ATOM 2120 N PRO A 725 -4.690 -15.787 4.353 1.00 63.44 N ATOM 2121 CA PRO A 725 -4.541 -16.879 3.416 1.00 35.23 C ATOM 2122 C PRO A 725 -5.712 -17.863 3.575 1.00 52.41 C ATOM 2123 O PRO A 725 -6.745 -17.698 2.886 1.00 39.22 O ATOM 2124 CB PRO A 725 -3.207 -17.530 3.819 1.00 22.32 C ATOM 2125 CG PRO A 725 -3.023 -17.180 5.259 1.00 40.45 C ATOM 2126 CD PRO A 725 -3.731 -15.870 5.476 1.00 12.23 C ATOM 2127 OXT PRO A 725 -5.624 -18.781 4.421 1.00 39.22 O ATOM 0 HA PRO A 725 -4.544 -16.562 2.373 1.00 35.23 H new ATOM 0 HB2 PRO A 725 -3.237 -18.610 3.676 1.00 22.32 H new ATOM 0 HB3 PRO A 725 -2.384 -17.151 3.213 1.00 22.32 H new ATOM 0 HG2 PRO A 725 -3.438 -17.956 5.903 1.00 40.45 H new ATOM 0 HG3 PRO A 725 -1.965 -17.094 5.505 1.00 40.45 H new ATOM 0 HD2 PRO A 725 -4.242 -15.848 6.439 1.00 12.23 H new ATOM 0 HD3 PRO A 725 -3.033 -15.033 5.466 1.00 12.23 H new TER 2135 PRO A 725