USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 644 GLN : amide:sc= -1.79! K(o=-1.1!,f=0.64) USER MOD Set 1.2: A 714 TYR OH : rot 180:sc= 0.735 USER MOD Set 2.1: A 681 ASN : amide:sc= 0.555! C(o=1.4!,f=-9.7!) USER MOD Set 2.2: A 685 THR OG1 : rot 180:sc= 0.86 USER MOD Set 3.1: A 670 GLN : amide:sc= -2.01! C(o=-3!,f=-3.6!) USER MOD Set 3.2: A 692 THR OG1 : rot -96:sc= 0.333 USER MOD Set 3.3: A 711 ASN : amide:sc= 0.257 K(o=-3,f=-7.3!) USER MOD Set 3.4: A 712 SER OG : rot 180:sc= 0.521 USER MOD Set 3.5: A 713 THR OG1 : rot 70:sc= 0.507 USER MOD Set 3.6: A 715 ASN : amide:sc= -2.61! C(o=-3!,f=-2!) USER MOD Set 4.1: A 659 ASN : amide:sc= -3.74! C(o=-3.8!,f=-10!) USER MOD Set 4.2: A 661 LYS NZ :NH3+ -166:sc= -0.0394 (180deg=-0.291) USER MOD Single : A 585 SER OG : rot -64:sc= 1.71 USER MOD Single : A 587 THR OG1 : rot -137:sc= 1.24 USER MOD Single : A 591 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 593 THR OG1 : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 598 GLN : amide:sc= 0.122 K(o=0.12,f=-1.6!) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot -170:sc= -0.696 USER MOD Single : A 609 THR OG1 : rot -71:sc= 1.21 USER MOD Single : A 610 LYS NZ :NH3+ -164:sc= -0.0362 (180deg=-0.37) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 17:sc= -0.385! USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 618 THR OG1 : rot -39:sc= 0.252 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-6.9!) USER MOD Single : A 626 ASN : amide:sc= 1.49 K(o=1.5,f=-6!) USER MOD Single : A 632 SER OG : rot -170:sc= 0 USER MOD Single : A 640 SER OG : rot -63:sc= 1.27 USER MOD Single : A 646 SER OG : rot 164:sc= 2.03 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0119) USER MOD Single : A 652 SER OG : rot 177:sc= 0.4 USER MOD Single : A 654 ASN : amide:sc= -1.05 K(o=-1.1,f=-4!) USER MOD Single : A 658 SER OG : rot 180:sc= -0.164 USER MOD Single : A 663 SER OG : rot 180:sc= 0 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 TYR OH : rot -127:sc= 1.29 USER MOD Single : A 677 THR OG1 : rot 180:sc= -4.08! USER MOD Single : A 679 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 680 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 689 THR OG1 : rot 73:sc= 0.704 USER MOD Single : A 706 TYR OH : rot 180:sc= 0.941 USER MOD Single : A 707 GLN : amide:sc= -1.93 K(o=-1.9,f=-0.62) USER MOD Single : A 719 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 720 THR OG1 : rot 100:sc= -0.0102 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 -19.054 -0.845 -3.478 1.00 34.25 N ATOM 2 CA GLU A 578 -18.054 -0.200 -4.314 1.00 23.31 C ATOM 3 C GLU A 578 -18.356 -0.563 -5.778 1.00 53.14 C ATOM 4 O GLU A 578 -18.160 -1.713 -6.190 1.00 34.24 O ATOM 5 CB GLU A 578 -16.646 -0.691 -3.874 1.00 35.10 C ATOM 6 CG GLU A 578 -15.422 0.111 -4.380 1.00 32.01 C ATOM 7 CD GLU A 578 -15.221 0.104 -5.875 1.00 23.42 C ATOM 8 OE1 GLU A 578 -14.616 -0.848 -6.399 1.00 35.45 O ATOM 9 OE2 GLU A 578 -15.641 1.063 -6.537 1.00 44.54 O ATOM 0 HA GLU A 578 -18.078 0.885 -4.212 1.00 23.31 H new ATOM 0 HB2 GLU A 578 -16.617 -0.698 -2.784 1.00 35.10 H new ATOM 0 HB3 GLU A 578 -16.531 -1.724 -4.203 1.00 35.10 H new ATOM 0 HG2 GLU A 578 -15.523 1.144 -4.048 1.00 32.01 H new ATOM 0 HG3 GLU A 578 -14.525 -0.289 -3.907 1.00 32.01 H new ATOM 18 N ALA A 579 -18.923 0.412 -6.519 1.00 12.35 N ATOM 19 CA ALA A 579 -19.233 0.297 -7.966 1.00 62.50 C ATOM 20 C ALA A 579 -20.163 -0.880 -8.302 1.00 52.32 C ATOM 21 O ALA A 579 -20.201 -1.324 -9.456 1.00 31.24 O ATOM 22 CB ALA A 579 -17.941 0.196 -8.771 1.00 30.31 C ATOM 0 H ALA A 579 -19.184 1.316 -6.126 1.00 12.35 H new ATOM 0 HA ALA A 579 -19.774 1.203 -8.240 1.00 62.50 H new ATOM 0 HB1 ALA A 579 -18.179 0.112 -9.831 1.00 30.31 H new ATOM 0 HB2 ALA A 579 -17.338 1.088 -8.604 1.00 30.31 H new ATOM 0 HB3 ALA A 579 -17.382 -0.684 -8.454 1.00 30.31 H new ATOM 28 N GLU A 580 -20.949 -1.326 -7.308 1.00 50.13 N ATOM 29 CA GLU A 580 -21.838 -2.502 -7.424 1.00 42.23 C ATOM 30 C GLU A 580 -21.011 -3.793 -7.550 1.00 0.51 C ATOM 31 O GLU A 580 -20.017 -3.847 -8.291 1.00 60.43 O ATOM 32 CB GLU A 580 -22.860 -2.350 -8.582 1.00 13.31 C ATOM 33 CG GLU A 580 -23.838 -3.510 -8.727 1.00 14.41 C ATOM 34 CD GLU A 580 -24.861 -3.283 -9.816 1.00 62.14 C ATOM 35 OE1 GLU A 580 -25.869 -2.580 -9.561 1.00 22.51 O ATOM 36 OE2 GLU A 580 -24.679 -3.797 -10.942 1.00 62.32 O ATOM 0 H GLU A 580 -20.988 -0.879 -6.392 1.00 50.13 H new ATOM 0 HA GLU A 580 -22.425 -2.568 -6.508 1.00 42.23 H new ATOM 0 HB2 GLU A 580 -23.427 -1.432 -8.429 1.00 13.31 H new ATOM 0 HB3 GLU A 580 -22.313 -2.235 -9.518 1.00 13.31 H new ATOM 0 HG2 GLU A 580 -23.282 -4.423 -8.942 1.00 14.41 H new ATOM 0 HG3 GLU A 580 -24.352 -3.666 -7.779 1.00 14.41 H new ATOM 43 N ALA A 581 -21.397 -4.816 -6.829 1.00 4.51 N ATOM 44 CA ALA A 581 -20.637 -6.037 -6.824 1.00 63.35 C ATOM 45 C ALA A 581 -20.912 -6.894 -8.047 1.00 32.30 C ATOM 46 O ALA A 581 -21.793 -7.750 -8.036 1.00 62.12 O ATOM 47 CB ALA A 581 -20.849 -6.826 -5.537 1.00 64.42 C ATOM 0 H ALA A 581 -22.230 -4.826 -6.241 1.00 4.51 H new ATOM 0 HA ALA A 581 -19.587 -5.749 -6.868 1.00 63.35 H new ATOM 0 HB1 ALA A 581 -20.259 -7.742 -5.570 1.00 64.42 H new ATOM 0 HB2 ALA A 581 -20.536 -6.223 -4.685 1.00 64.42 H new ATOM 0 HB3 ALA A 581 -21.904 -7.078 -5.434 1.00 64.42 H new ATOM 53 N GLU A 582 -20.201 -6.609 -9.119 1.00 43.54 N ATOM 54 CA GLU A 582 -20.261 -7.419 -10.317 1.00 35.20 C ATOM 55 C GLU A 582 -19.511 -8.692 -10.025 1.00 41.32 C ATOM 56 O GLU A 582 -18.327 -8.640 -9.685 1.00 11.35 O ATOM 57 CB GLU A 582 -19.652 -6.669 -11.510 1.00 50.14 C ATOM 58 CG GLU A 582 -20.425 -5.412 -11.896 1.00 24.10 C ATOM 59 CD GLU A 582 -19.773 -4.639 -13.015 1.00 65.35 C ATOM 60 OE1 GLU A 582 -20.002 -4.952 -14.198 1.00 60.21 O ATOM 61 OE2 GLU A 582 -19.026 -3.681 -12.724 1.00 42.41 O ATOM 0 H GLU A 582 -19.568 -5.812 -9.184 1.00 43.54 H new ATOM 0 HA GLU A 582 -21.293 -7.643 -10.587 1.00 35.20 H new ATOM 0 HB2 GLU A 582 -18.624 -6.395 -11.271 1.00 50.14 H new ATOM 0 HB3 GLU A 582 -19.612 -7.339 -12.369 1.00 50.14 H new ATOM 0 HG2 GLU A 582 -21.435 -5.691 -12.195 1.00 24.10 H new ATOM 0 HG3 GLU A 582 -20.518 -4.767 -11.022 1.00 24.10 H new ATOM 68 N PHE A 583 -20.208 -9.823 -10.152 1.00 64.43 N ATOM 69 CA PHE A 583 -19.720 -11.135 -9.717 1.00 72.22 C ATOM 70 C PHE A 583 -19.624 -11.138 -8.191 1.00 31.24 C ATOM 71 O PHE A 583 -18.693 -10.559 -7.613 1.00 24.23 O ATOM 72 CB PHE A 583 -18.360 -11.522 -10.354 1.00 50.22 C ATOM 73 CG PHE A 583 -18.362 -11.577 -11.860 1.00 63.11 C ATOM 74 CD1 PHE A 583 -18.794 -12.708 -12.525 1.00 61.42 C ATOM 75 CD2 PHE A 583 -17.920 -10.495 -12.606 1.00 53.42 C ATOM 76 CE1 PHE A 583 -18.789 -12.764 -13.904 1.00 42.30 C ATOM 77 CE2 PHE A 583 -17.912 -10.544 -13.985 1.00 25.12 C ATOM 78 CZ PHE A 583 -18.347 -11.680 -14.635 1.00 72.45 C ATOM 0 H PHE A 583 -21.140 -9.855 -10.565 1.00 64.43 H new ATOM 0 HA PHE A 583 -20.430 -11.888 -10.057 1.00 72.22 H new ATOM 0 HB2 PHE A 583 -17.606 -10.804 -10.031 1.00 50.22 H new ATOM 0 HB3 PHE A 583 -18.058 -12.496 -9.969 1.00 50.22 H new ATOM 0 HD1 PHE A 583 -19.140 -13.560 -11.958 1.00 61.42 H new ATOM 0 HD2 PHE A 583 -17.578 -9.603 -12.102 1.00 53.42 H new ATOM 0 HE1 PHE A 583 -19.130 -13.655 -14.410 1.00 42.30 H new ATOM 0 HE2 PHE A 583 -17.566 -9.694 -14.554 1.00 25.12 H new ATOM 0 HZ PHE A 583 -18.342 -11.721 -15.714 1.00 72.45 H new ATOM 88 N LEU A 584 -20.600 -11.753 -7.535 1.00 35.55 N ATOM 89 CA LEU A 584 -20.666 -11.750 -6.075 1.00 72.50 C ATOM 90 C LEU A 584 -19.509 -12.516 -5.457 1.00 34.21 C ATOM 91 O LEU A 584 -19.563 -13.735 -5.286 1.00 31.13 O ATOM 92 CB LEU A 584 -22.024 -12.238 -5.512 1.00 43.50 C ATOM 93 CG LEU A 584 -23.278 -11.388 -5.823 1.00 23.24 C ATOM 94 CD1 LEU A 584 -23.675 -11.458 -7.290 1.00 14.22 C ATOM 95 CD2 LEU A 584 -24.431 -11.788 -4.923 1.00 31.33 C ATOM 0 H LEU A 584 -21.359 -12.261 -7.989 1.00 35.55 H new ATOM 0 HA LEU A 584 -20.577 -10.703 -5.784 1.00 72.50 H new ATOM 0 HB2 LEU A 584 -22.200 -13.246 -5.888 1.00 43.50 H new ATOM 0 HB3 LEU A 584 -21.930 -12.314 -4.429 1.00 43.50 H new ATOM 0 HG LEU A 584 -23.023 -10.348 -5.618 1.00 23.24 H new ATOM 0 HD11 LEU A 584 -24.561 -10.845 -7.457 1.00 14.22 H new ATOM 0 HD12 LEU A 584 -22.856 -11.088 -7.907 1.00 14.22 H new ATOM 0 HD13 LEU A 584 -23.893 -12.491 -7.559 1.00 14.22 H new ATOM 0 HD21 LEU A 584 -25.304 -11.179 -5.157 1.00 31.33 H new ATOM 0 HD22 LEU A 584 -24.669 -12.840 -5.083 1.00 31.33 H new ATOM 0 HD23 LEU A 584 -24.150 -11.634 -3.881 1.00 31.33 H new ATOM 103 N SER A 585 -18.473 -11.781 -5.162 1.00 64.21 N ATOM 104 CA SER A 585 -17.245 -12.285 -4.624 1.00 73.00 C ATOM 105 C SER A 585 -16.619 -11.210 -3.726 1.00 3.24 C ATOM 106 O SER A 585 -15.427 -11.222 -3.450 1.00 72.42 O ATOM 107 CB SER A 585 -16.329 -12.603 -5.806 1.00 13.13 C ATOM 108 OG SER A 585 -16.260 -11.480 -6.702 1.00 12.31 O ATOM 0 H SER A 585 -18.464 -10.770 -5.297 1.00 64.21 H new ATOM 0 HA SER A 585 -17.404 -13.182 -4.026 1.00 73.00 H new ATOM 0 HB2 SER A 585 -15.331 -12.850 -5.445 1.00 13.13 H new ATOM 0 HB3 SER A 585 -16.701 -13.479 -6.338 1.00 13.13 H new ATOM 0 HG SER A 585 -17.146 -11.313 -7.086 1.00 12.31 H new ATOM 114 N ARG A 586 -17.465 -10.329 -3.238 1.00 75.43 N ATOM 115 CA ARG A 586 -17.061 -9.170 -2.462 1.00 51.43 C ATOM 116 C ARG A 586 -17.433 -9.295 -1.016 1.00 43.24 C ATOM 117 O ARG A 586 -18.504 -9.814 -0.664 1.00 44.02 O ATOM 118 CB ARG A 586 -17.723 -7.876 -2.985 1.00 40.24 C ATOM 119 CG ARG A 586 -17.071 -7.167 -4.168 1.00 53.40 C ATOM 120 CD ARG A 586 -16.881 -8.036 -5.380 1.00 2.43 C ATOM 121 NE ARG A 586 -16.470 -7.229 -6.523 1.00 3.23 N ATOM 122 CZ ARG A 586 -15.945 -7.677 -7.665 1.00 53.52 C ATOM 123 NH1 ARG A 586 -15.709 -8.971 -7.851 1.00 22.53 N ATOM 124 NH2 ARG A 586 -15.656 -6.818 -8.621 1.00 33.02 N ATOM 0 H ARG A 586 -18.474 -10.397 -3.371 1.00 75.43 H new ATOM 0 HA ARG A 586 -15.977 -9.120 -2.567 1.00 51.43 H new ATOM 0 HB2 ARG A 586 -18.750 -8.115 -3.263 1.00 40.24 H new ATOM 0 HB3 ARG A 586 -17.773 -7.168 -2.158 1.00 40.24 H new ATOM 0 HG2 ARG A 586 -17.682 -6.307 -4.444 1.00 53.40 H new ATOM 0 HG3 ARG A 586 -16.101 -6.781 -3.856 1.00 53.40 H new ATOM 0 HD2 ARG A 586 -16.129 -8.798 -5.175 1.00 2.43 H new ATOM 0 HD3 ARG A 586 -17.810 -8.558 -5.610 1.00 2.43 H new ATOM 0 HE ARG A 586 -16.597 -6.220 -6.441 1.00 3.23 H new ATOM 0 HH11 ARG A 586 -15.930 -9.641 -7.114 1.00 22.53 H new ATOM 0 HH12 ARG A 586 -15.307 -9.295 -8.731 1.00 22.53 H new ATOM 0 HH21 ARG A 586 -15.834 -5.823 -8.484 1.00 33.02 H new ATOM 0 HH22 ARG A 586 -15.254 -7.148 -9.499 1.00 33.02 H new ATOM 136 N THR A 587 -16.555 -8.867 -0.188 1.00 0.34 N ATOM 137 CA THR A 587 -16.851 -8.685 1.179 1.00 71.23 C ATOM 138 C THR A 587 -16.208 -7.358 1.583 1.00 30.43 C ATOM 139 O THR A 587 -15.088 -7.047 1.124 1.00 30.33 O ATOM 140 CB THR A 587 -16.331 -9.858 2.073 1.00 51.32 C ATOM 141 OG1 THR A 587 -16.888 -9.755 3.387 1.00 44.22 O ATOM 142 CG2 THR A 587 -14.833 -9.813 2.199 1.00 73.11 C ATOM 0 H THR A 587 -15.597 -8.630 -0.446 1.00 0.34 H new ATOM 0 HA THR A 587 -17.931 -8.672 1.328 1.00 71.23 H new ATOM 0 HB THR A 587 -16.632 -10.793 1.601 1.00 51.32 H new ATOM 0 HG1 THR A 587 -16.191 -9.931 4.053 1.00 44.22 H new ATOM 0 HG21 THR A 587 -14.496 -10.639 2.825 1.00 73.11 H new ATOM 0 HG22 THR A 587 -14.382 -9.900 1.210 1.00 73.11 H new ATOM 0 HG23 THR A 587 -14.534 -8.868 2.653 1.00 73.11 H new ATOM 148 N GLU A 588 -16.891 -6.564 2.351 1.00 0.34 N ATOM 149 CA GLU A 588 -16.308 -5.346 2.819 1.00 11.21 C ATOM 150 C GLU A 588 -16.007 -5.499 4.288 1.00 4.14 C ATOM 151 O GLU A 588 -16.910 -5.761 5.104 1.00 32.24 O ATOM 152 CB GLU A 588 -17.201 -4.128 2.549 1.00 3.12 C ATOM 153 CG GLU A 588 -16.563 -2.803 2.961 1.00 12.22 C ATOM 154 CD GLU A 588 -17.440 -1.612 2.685 1.00 41.11 C ATOM 155 OE1 GLU A 588 -18.264 -1.254 3.555 1.00 50.34 O ATOM 156 OE2 GLU A 588 -17.317 -1.002 1.592 1.00 33.30 O ATOM 0 H GLU A 588 -17.846 -6.737 2.665 1.00 0.34 H new ATOM 0 HA GLU A 588 -15.386 -5.159 2.269 1.00 11.21 H new ATOM 0 HB2 GLU A 588 -17.441 -4.092 1.486 1.00 3.12 H new ATOM 0 HB3 GLU A 588 -18.142 -4.251 3.085 1.00 3.12 H new ATOM 0 HG2 GLU A 588 -16.329 -2.835 4.025 1.00 12.22 H new ATOM 0 HG3 GLU A 588 -15.619 -2.681 2.431 1.00 12.22 H new ATOM 163 N GLY A 589 -14.766 -5.374 4.607 1.00 60.11 N ATOM 164 CA GLY A 589 -14.308 -5.528 5.930 1.00 42.40 C ATOM 165 C GLY A 589 -14.248 -4.225 6.644 1.00 12.10 C ATOM 166 O GLY A 589 -14.263 -3.152 6.017 1.00 62.22 O ATOM 0 H GLY A 589 -14.030 -5.157 3.935 1.00 60.11 H new ATOM 0 HA2 GLY A 589 -14.969 -6.208 6.468 1.00 42.40 H new ATOM 0 HA3 GLY A 589 -13.319 -5.985 5.922 1.00 42.40 H new ATOM 170 N ASP A 590 -14.170 -4.303 7.932 1.00 74.24 N ATOM 171 CA ASP A 590 -14.138 -3.139 8.773 1.00 62.21 C ATOM 172 C ASP A 590 -12.698 -2.668 8.954 1.00 43.24 C ATOM 173 O ASP A 590 -11.819 -3.056 8.185 1.00 41.34 O ATOM 174 CB ASP A 590 -14.794 -3.459 10.123 1.00 65.44 C ATOM 175 CG ASP A 590 -16.253 -3.867 9.981 1.00 33.44 C ATOM 176 OD1 ASP A 590 -16.543 -5.075 9.811 1.00 51.40 O ATOM 177 OD2 ASP A 590 -17.140 -2.986 10.034 1.00 70.22 O ATOM 0 H ASP A 590 -14.126 -5.185 8.442 1.00 74.24 H new ATOM 0 HA ASP A 590 -14.700 -2.331 8.304 1.00 62.21 H new ATOM 0 HB2 ASP A 590 -14.241 -4.262 10.610 1.00 65.44 H new ATOM 0 HB3 ASP A 590 -14.726 -2.586 10.772 1.00 65.44 H new ATOM 182 N ASN A 591 -12.468 -1.852 9.973 1.00 42.24 N ATOM 183 CA ASN A 591 -11.158 -1.236 10.251 1.00 65.21 C ATOM 184 C ASN A 591 -10.008 -2.223 10.278 1.00 4.34 C ATOM 185 O ASN A 591 -9.836 -2.977 11.243 1.00 63.44 O ATOM 186 CB ASN A 591 -11.185 -0.452 11.571 1.00 24.50 C ATOM 187 CG ASN A 591 -11.985 0.828 11.496 1.00 74.42 C ATOM 188 OD1 ASN A 591 -13.206 0.831 11.679 1.00 35.30 O ATOM 189 ND2 ASN A 591 -11.308 1.928 11.270 1.00 53.25 N ATOM 0 H ASN A 591 -13.189 -1.589 10.645 1.00 42.24 H new ATOM 0 HA ASN A 591 -10.979 -0.559 9.416 1.00 65.21 H new ATOM 0 HB2 ASN A 591 -11.602 -1.087 12.353 1.00 24.50 H new ATOM 0 HB3 ASN A 591 -10.162 -0.215 11.865 1.00 24.50 H new ATOM 0 HD21 ASN A 591 -11.790 2.827 11.241 1.00 53.25 H new ATOM 0 HD22 ASN A 591 -10.299 1.885 11.123 1.00 53.25 H new ATOM 195 N CYS A 592 -9.249 -2.231 9.175 1.00 64.35 N ATOM 196 CA CYS A 592 -8.009 -3.009 9.035 1.00 63.01 C ATOM 197 C CYS A 592 -8.231 -4.493 8.949 1.00 64.21 C ATOM 198 O CYS A 592 -7.273 -5.268 8.938 1.00 65.04 O ATOM 199 CB CYS A 592 -7.075 -2.722 10.181 1.00 71.01 C ATOM 200 SG CYS A 592 -6.491 -1.035 10.285 1.00 10.11 S ATOM 0 H CYS A 592 -9.481 -1.690 8.342 1.00 64.35 H new ATOM 0 HA CYS A 592 -7.570 -2.692 8.089 1.00 63.01 H new ATOM 0 HB2 CYS A 592 -7.582 -2.972 11.113 1.00 71.01 H new ATOM 0 HB3 CYS A 592 -6.213 -3.384 10.100 1.00 71.01 H new ATOM 205 N THR A 593 -9.443 -4.908 8.840 1.00 70.23 N ATOM 206 CA THR A 593 -9.713 -6.307 8.863 1.00 35.42 C ATOM 207 C THR A 593 -10.650 -6.663 7.780 1.00 22.44 C ATOM 208 O THR A 593 -11.539 -5.890 7.448 1.00 3.42 O ATOM 209 CB THR A 593 -10.334 -6.718 10.222 1.00 21.33 C ATOM 210 OG1 THR A 593 -11.463 -5.866 10.509 1.00 51.05 O ATOM 211 CG2 THR A 593 -9.319 -6.623 11.352 1.00 3.43 C ATOM 0 H THR A 593 -10.260 -4.307 8.735 1.00 70.23 H new ATOM 0 HA THR A 593 -8.771 -6.836 8.722 1.00 35.42 H new ATOM 0 HB THR A 593 -10.657 -7.757 10.149 1.00 21.33 H new ATOM 0 HG1 THR A 593 -11.858 -6.125 11.367 1.00 51.05 H new ATOM 0 HG21 THR A 593 -9.790 -6.919 12.290 1.00 3.43 H new ATOM 0 HG22 THR A 593 -8.479 -7.285 11.143 1.00 3.43 H new ATOM 0 HG23 THR A 593 -8.960 -5.597 11.434 1.00 3.43 H new ATOM 217 N VAL A 594 -10.466 -7.804 7.228 1.00 41.11 N ATOM 218 CA VAL A 594 -11.357 -8.269 6.250 1.00 63.11 C ATOM 219 C VAL A 594 -11.809 -9.682 6.568 1.00 31.53 C ATOM 220 O VAL A 594 -10.987 -10.603 6.704 1.00 15.14 O ATOM 221 CB VAL A 594 -10.795 -8.137 4.806 1.00 42.34 C ATOM 222 CG1 VAL A 594 -9.559 -8.994 4.579 1.00 63.33 C ATOM 223 CG2 VAL A 594 -11.866 -8.427 3.783 1.00 4.42 C ATOM 0 H VAL A 594 -9.695 -8.435 7.445 1.00 41.11 H new ATOM 0 HA VAL A 594 -12.234 -7.623 6.277 1.00 63.11 H new ATOM 0 HB VAL A 594 -10.477 -7.102 4.681 1.00 42.34 H new ATOM 0 HG11 VAL A 594 -9.209 -8.863 3.555 1.00 63.33 H new ATOM 0 HG12 VAL A 594 -8.774 -8.692 5.272 1.00 63.33 H new ATOM 0 HG13 VAL A 594 -9.807 -10.042 4.747 1.00 63.33 H new ATOM 0 HG21 VAL A 594 -11.448 -8.328 2.781 1.00 4.42 H new ATOM 0 HG22 VAL A 594 -12.237 -9.442 3.923 1.00 4.42 H new ATOM 0 HG23 VAL A 594 -12.687 -7.720 3.905 1.00 4.42 H new ATOM 229 N PHE A 595 -13.072 -9.848 6.760 1.00 40.22 N ATOM 230 CA PHE A 595 -13.611 -11.154 6.916 1.00 1.00 C ATOM 231 C PHE A 595 -14.465 -11.477 5.728 1.00 54.40 C ATOM 232 O PHE A 595 -15.393 -10.740 5.390 1.00 51.03 O ATOM 233 CB PHE A 595 -14.363 -11.333 8.244 1.00 74.20 C ATOM 234 CG PHE A 595 -15.000 -12.691 8.387 1.00 3.22 C ATOM 235 CD1 PHE A 595 -14.267 -13.835 8.140 1.00 51.50 C ATOM 236 CD2 PHE A 595 -16.330 -12.820 8.738 1.00 45.33 C ATOM 237 CE1 PHE A 595 -14.831 -15.075 8.240 1.00 4.02 C ATOM 238 CE2 PHE A 595 -16.905 -14.068 8.841 1.00 13.34 C ATOM 239 CZ PHE A 595 -16.149 -15.197 8.590 1.00 2.12 C ATOM 0 H PHE A 595 -13.754 -9.091 6.813 1.00 40.22 H new ATOM 0 HA PHE A 595 -12.786 -11.865 6.963 1.00 1.00 H new ATOM 0 HB2 PHE A 595 -13.670 -11.175 9.071 1.00 74.20 H new ATOM 0 HB3 PHE A 595 -15.134 -10.567 8.324 1.00 74.20 H new ATOM 0 HD1 PHE A 595 -13.227 -13.747 7.862 1.00 51.50 H new ATOM 0 HD2 PHE A 595 -16.922 -11.938 8.933 1.00 45.33 H new ATOM 0 HE1 PHE A 595 -14.239 -15.957 8.044 1.00 4.02 H new ATOM 0 HE2 PHE A 595 -17.945 -14.164 9.117 1.00 13.34 H new ATOM 0 HZ PHE A 595 -16.598 -16.176 8.670 1.00 2.12 H new ATOM 249 N ASP A 596 -14.139 -12.552 5.087 1.00 64.14 N ATOM 250 CA ASP A 596 -14.814 -12.954 3.892 1.00 21.43 C ATOM 251 C ASP A 596 -15.690 -14.133 4.181 1.00 2.11 C ATOM 252 O ASP A 596 -15.207 -15.169 4.621 1.00 54.52 O ATOM 253 CB ASP A 596 -13.787 -13.300 2.842 1.00 21.31 C ATOM 254 CG ASP A 596 -14.383 -13.510 1.491 1.00 42.11 C ATOM 255 OD1 ASP A 596 -15.508 -13.025 1.240 1.00 35.23 O ATOM 256 OD2 ASP A 596 -13.736 -14.140 0.654 1.00 64.02 O ATOM 0 H ASP A 596 -13.392 -13.182 5.379 1.00 64.14 H new ATOM 0 HA ASP A 596 -15.441 -12.141 3.524 1.00 21.43 H new ATOM 0 HB2 ASP A 596 -13.048 -12.500 2.787 1.00 21.31 H new ATOM 0 HB3 ASP A 596 -13.257 -14.203 3.144 1.00 21.31 H new ATOM 261 N SER A 597 -16.967 -13.975 3.941 1.00 1.11 N ATOM 262 CA SER A 597 -17.940 -15.003 4.217 1.00 2.24 C ATOM 263 C SER A 597 -17.800 -16.207 3.276 1.00 64.33 C ATOM 264 O SER A 597 -18.054 -17.344 3.671 1.00 70.21 O ATOM 265 CB SER A 597 -19.342 -14.398 4.175 1.00 72.13 C ATOM 266 OG SER A 597 -19.537 -13.644 2.979 1.00 65.35 O ATOM 0 H SER A 597 -17.364 -13.123 3.545 1.00 1.11 H new ATOM 0 HA SER A 597 -17.757 -15.393 5.218 1.00 2.24 H new ATOM 0 HB2 SER A 597 -20.087 -15.192 4.234 1.00 72.13 H new ATOM 0 HB3 SER A 597 -19.491 -13.756 5.043 1.00 72.13 H new ATOM 0 HG SER A 597 -20.442 -13.268 2.973 1.00 65.35 H new ATOM 272 N GLN A 598 -17.366 -15.959 2.049 1.00 52.31 N ATOM 273 CA GLN A 598 -17.207 -17.025 1.084 1.00 3.31 C ATOM 274 C GLN A 598 -15.926 -17.802 1.365 1.00 35.13 C ATOM 275 O GLN A 598 -15.846 -19.008 1.116 1.00 34.02 O ATOM 276 CB GLN A 598 -17.174 -16.455 -0.329 1.00 60.32 C ATOM 277 CG GLN A 598 -16.015 -15.541 -0.554 1.00 73.22 C ATOM 278 CD GLN A 598 -16.016 -14.770 -1.837 1.00 22.30 C ATOM 279 OE1 GLN A 598 -16.546 -15.198 -2.860 1.00 22.32 O ATOM 280 NE2 GLN A 598 -15.414 -13.612 -1.777 1.00 50.05 N ATOM 0 H GLN A 598 -17.120 -15.031 1.704 1.00 52.31 H new ATOM 0 HA GLN A 598 -18.056 -17.703 1.170 1.00 3.31 H new ATOM 0 HB2 GLN A 598 -17.130 -17.275 -1.046 1.00 60.32 H new ATOM 0 HB3 GLN A 598 -18.101 -15.914 -0.520 1.00 60.32 H new ATOM 0 HG2 GLN A 598 -15.975 -14.831 0.272 1.00 73.22 H new ATOM 0 HG3 GLN A 598 -15.100 -16.132 -0.511 1.00 73.22 H new ATOM 0 HE21 GLN A 598 -14.989 -13.303 -0.903 1.00 50.05 H new ATOM 0 HE22 GLN A 598 -15.369 -13.017 -2.604 1.00 50.05 H new ATOM 288 N ALA A 599 -14.917 -17.106 1.891 1.00 1.23 N ATOM 289 CA ALA A 599 -13.665 -17.750 2.192 1.00 53.14 C ATOM 290 C ALA A 599 -13.714 -18.338 3.587 1.00 2.04 C ATOM 291 O ALA A 599 -12.949 -19.247 3.928 1.00 3.34 O ATOM 292 CB ALA A 599 -12.518 -16.750 2.090 1.00 75.05 C ATOM 0 H ALA A 599 -14.953 -16.110 2.110 1.00 1.23 H new ATOM 0 HA ALA A 599 -13.497 -18.550 1.470 1.00 53.14 H new ATOM 0 HB1 ALA A 599 -11.577 -17.250 2.320 1.00 75.05 H new ATOM 0 HB2 ALA A 599 -12.476 -16.346 1.078 1.00 75.05 H new ATOM 0 HB3 ALA A 599 -12.679 -15.938 2.799 1.00 75.05 H new ATOM 298 N GLY A 600 -14.630 -17.816 4.384 1.00 11.43 N ATOM 299 CA GLY A 600 -14.863 -18.300 5.732 1.00 44.24 C ATOM 300 C GLY A 600 -13.669 -18.104 6.640 1.00 51.43 C ATOM 301 O GLY A 600 -13.517 -18.809 7.641 1.00 1.30 O ATOM 0 H GLY A 600 -15.235 -17.041 4.112 1.00 11.43 H new ATOM 0 HA2 GLY A 600 -15.724 -17.783 6.155 1.00 44.24 H new ATOM 0 HA3 GLY A 600 -15.115 -19.360 5.694 1.00 44.24 H new ATOM 305 N PHE A 601 -12.823 -17.152 6.308 1.00 15.33 N ATOM 306 CA PHE A 601 -11.636 -16.915 7.076 1.00 54.51 C ATOM 307 C PHE A 601 -11.380 -15.418 7.140 1.00 62.23 C ATOM 308 O PHE A 601 -11.739 -14.682 6.208 1.00 31.21 O ATOM 309 CB PHE A 601 -10.459 -17.682 6.457 1.00 2.33 C ATOM 310 CG PHE A 601 -9.223 -17.725 7.305 1.00 71.23 C ATOM 311 CD1 PHE A 601 -9.195 -18.484 8.462 1.00 24.11 C ATOM 312 CD2 PHE A 601 -8.098 -17.024 6.948 1.00 71.55 C ATOM 313 CE1 PHE A 601 -8.062 -18.536 9.242 1.00 75.20 C ATOM 314 CE2 PHE A 601 -6.962 -17.074 7.720 1.00 53.24 C ATOM 315 CZ PHE A 601 -6.944 -17.830 8.869 1.00 33.12 C ATOM 0 H PHE A 601 -12.943 -16.532 5.507 1.00 15.33 H new ATOM 0 HA PHE A 601 -11.758 -17.279 8.096 1.00 54.51 H new ATOM 0 HB2 PHE A 601 -10.777 -18.704 6.251 1.00 2.33 H new ATOM 0 HB3 PHE A 601 -10.210 -17.226 5.499 1.00 2.33 H new ATOM 0 HD1 PHE A 601 -10.072 -19.042 8.756 1.00 24.11 H new ATOM 0 HD2 PHE A 601 -8.106 -16.426 6.049 1.00 71.55 H new ATOM 0 HE1 PHE A 601 -8.052 -19.130 10.144 1.00 75.20 H new ATOM 0 HE2 PHE A 601 -6.083 -16.520 7.424 1.00 53.24 H new ATOM 0 HZ PHE A 601 -6.052 -17.869 9.477 1.00 33.12 H new ATOM 325 N SER A 602 -10.808 -14.968 8.227 1.00 34.10 N ATOM 326 CA SER A 602 -10.579 -13.564 8.450 1.00 34.34 C ATOM 327 C SER A 602 -9.090 -13.204 8.392 1.00 11.34 C ATOM 328 O SER A 602 -8.222 -14.030 8.715 1.00 0.23 O ATOM 329 CB SER A 602 -11.193 -13.178 9.799 1.00 12.14 C ATOM 330 OG SER A 602 -10.730 -14.050 10.831 1.00 23.23 O ATOM 0 H SER A 602 -10.486 -15.568 8.986 1.00 34.10 H new ATOM 0 HA SER A 602 -11.057 -12.997 7.651 1.00 34.34 H new ATOM 0 HB2 SER A 602 -10.932 -12.148 10.042 1.00 12.14 H new ATOM 0 HB3 SER A 602 -12.280 -13.225 9.736 1.00 12.14 H new ATOM 0 HG SER A 602 -11.131 -13.787 11.686 1.00 23.23 H new ATOM 336 N PHE A 603 -8.809 -11.990 7.957 1.00 34.22 N ATOM 337 CA PHE A 603 -7.458 -11.471 7.873 1.00 3.10 C ATOM 338 C PHE A 603 -7.397 -10.057 8.466 1.00 5.40 C ATOM 339 O PHE A 603 -8.271 -9.221 8.186 1.00 64.23 O ATOM 340 CB PHE A 603 -6.969 -11.447 6.412 1.00 34.23 C ATOM 341 CG PHE A 603 -6.791 -12.807 5.759 1.00 71.35 C ATOM 342 CD1 PHE A 603 -7.848 -13.448 5.106 1.00 31.51 C ATOM 343 CD2 PHE A 603 -5.557 -13.433 5.784 1.00 14.53 C ATOM 344 CE1 PHE A 603 -7.657 -14.676 4.500 1.00 0.34 C ATOM 345 CE2 PHE A 603 -5.369 -14.661 5.183 1.00 74.50 C ATOM 346 CZ PHE A 603 -6.419 -15.281 4.541 1.00 73.51 C ATOM 0 H PHE A 603 -9.522 -11.329 7.648 1.00 34.22 H new ATOM 0 HA PHE A 603 -6.805 -12.129 8.446 1.00 3.10 H new ATOM 0 HB2 PHE A 603 -7.678 -10.869 5.819 1.00 34.23 H new ATOM 0 HB3 PHE A 603 -6.017 -10.918 6.375 1.00 34.23 H new ATOM 0 HD1 PHE A 603 -8.821 -12.980 5.075 1.00 31.51 H new ATOM 0 HD2 PHE A 603 -4.728 -12.953 6.282 1.00 14.53 H new ATOM 0 HE1 PHE A 603 -8.478 -15.162 3.994 1.00 0.34 H new ATOM 0 HE2 PHE A 603 -4.400 -15.136 5.216 1.00 74.50 H new ATOM 0 HZ PHE A 603 -6.272 -16.242 4.070 1.00 73.51 H new ATOM 356 N ASP A 604 -6.385 -9.798 9.282 1.00 42.12 N ATOM 357 CA ASP A 604 -6.195 -8.491 9.906 1.00 13.25 C ATOM 358 C ASP A 604 -4.879 -7.893 9.449 1.00 75.31 C ATOM 359 O ASP A 604 -3.808 -8.469 9.620 1.00 4.51 O ATOM 360 CB ASP A 604 -6.278 -8.561 11.465 1.00 4.50 C ATOM 361 CG ASP A 604 -5.109 -9.225 12.171 1.00 25.11 C ATOM 362 OD1 ASP A 604 -5.062 -10.476 12.251 1.00 24.52 O ATOM 363 OD2 ASP A 604 -4.241 -8.496 12.690 1.00 73.55 O ATOM 0 H ASP A 604 -5.673 -10.484 9.531 1.00 42.12 H new ATOM 0 HA ASP A 604 -7.010 -7.842 9.586 1.00 13.25 H new ATOM 0 HB2 ASP A 604 -6.377 -7.546 11.848 1.00 4.50 H new ATOM 0 HB3 ASP A 604 -7.189 -9.095 11.736 1.00 4.50 H new ATOM 368 N LEU A 605 -4.977 -6.758 8.816 1.00 73.52 N ATOM 369 CA LEU A 605 -3.827 -6.041 8.310 1.00 32.43 C ATOM 370 C LEU A 605 -3.552 -4.845 9.213 1.00 23.34 C ATOM 371 O LEU A 605 -2.844 -3.912 8.865 1.00 12.44 O ATOM 372 CB LEU A 605 -4.047 -5.598 6.845 1.00 61.44 C ATOM 373 CG LEU A 605 -4.027 -6.697 5.738 1.00 34.21 C ATOM 374 CD1 LEU A 605 -2.678 -7.392 5.673 1.00 61.24 C ATOM 375 CD2 LEU A 605 -5.142 -7.725 5.900 1.00 10.35 C ATOM 0 H LEU A 605 -5.866 -6.294 8.632 1.00 73.52 H new ATOM 0 HA LEU A 605 -2.960 -6.701 8.316 1.00 32.43 H new ATOM 0 HB2 LEU A 605 -5.008 -5.087 6.791 1.00 61.44 H new ATOM 0 HB3 LEU A 605 -3.281 -4.863 6.600 1.00 61.44 H new ATOM 0 HG LEU A 605 -4.203 -6.177 4.796 1.00 34.21 H new ATOM 0 HD11 LEU A 605 -2.697 -8.152 4.892 1.00 61.24 H new ATOM 0 HD12 LEU A 605 -1.902 -6.660 5.448 1.00 61.24 H new ATOM 0 HD13 LEU A 605 -2.465 -7.863 6.632 1.00 61.24 H new ATOM 0 HD21 LEU A 605 -5.075 -8.463 5.101 1.00 10.35 H new ATOM 0 HD22 LEU A 605 -5.040 -8.224 6.864 1.00 10.35 H new ATOM 0 HD23 LEU A 605 -6.109 -7.224 5.852 1.00 10.35 H new ATOM 383 N THR A 606 -4.093 -4.940 10.384 1.00 31.14 N ATOM 384 CA THR A 606 -4.024 -3.959 11.426 1.00 42.41 C ATOM 385 C THR A 606 -2.531 -3.655 11.851 1.00 3.13 C ATOM 386 O THR A 606 -2.135 -2.493 11.928 1.00 1.23 O ATOM 387 CB THR A 606 -4.805 -4.526 12.619 1.00 64.43 C ATOM 388 OG1 THR A 606 -5.870 -5.351 12.106 1.00 35.43 O ATOM 389 CG2 THR A 606 -5.447 -3.428 13.394 1.00 2.35 C ATOM 0 H THR A 606 -4.633 -5.760 10.660 1.00 31.14 H new ATOM 0 HA THR A 606 -4.447 -3.017 11.077 1.00 42.41 H new ATOM 0 HB THR A 606 -4.118 -5.082 13.257 1.00 64.43 H new ATOM 0 HG1 THR A 606 -6.475 -5.596 12.837 1.00 35.43 H new ATOM 0 HG21 THR A 606 -5.996 -3.850 14.236 1.00 2.35 H new ATOM 0 HG22 THR A 606 -4.680 -2.748 13.765 1.00 2.35 H new ATOM 0 HG23 THR A 606 -6.135 -2.882 12.749 1.00 2.35 H new ATOM 395 N PRO A 607 -1.681 -4.703 12.137 1.00 73.20 N ATOM 396 CA PRO A 607 -0.262 -4.504 12.511 1.00 22.14 C ATOM 397 C PRO A 607 0.556 -3.837 11.401 1.00 12.23 C ATOM 398 O PRO A 607 1.618 -3.282 11.644 1.00 71.21 O ATOM 399 CB PRO A 607 0.253 -5.927 12.772 1.00 75.33 C ATOM 400 CG PRO A 607 -0.705 -6.817 12.082 1.00 73.30 C ATOM 401 CD PRO A 607 -2.027 -6.140 12.168 1.00 11.42 C ATOM 0 HA PRO A 607 -0.168 -3.839 13.369 1.00 22.14 H new ATOM 0 HB2 PRO A 607 1.263 -6.058 12.383 1.00 75.33 H new ATOM 0 HB3 PRO A 607 0.292 -6.142 13.840 1.00 75.33 H new ATOM 0 HG2 PRO A 607 -0.414 -6.974 11.043 1.00 73.30 H new ATOM 0 HG3 PRO A 607 -0.737 -7.798 12.556 1.00 73.30 H new ATOM 0 HD2 PRO A 607 -2.674 -6.415 11.335 1.00 11.42 H new ATOM 0 HD3 PRO A 607 -2.555 -6.406 13.083 1.00 11.42 H new ATOM 409 N LEU A 608 0.036 -3.902 10.192 1.00 51.11 N ATOM 410 CA LEU A 608 0.689 -3.379 8.996 1.00 61.24 C ATOM 411 C LEU A 608 0.626 -1.850 8.934 1.00 42.54 C ATOM 412 O LEU A 608 1.256 -1.241 8.083 1.00 52.42 O ATOM 413 CB LEU A 608 0.038 -3.971 7.719 1.00 4.22 C ATOM 414 CG LEU A 608 0.260 -5.466 7.404 1.00 50.24 C ATOM 415 CD1 LEU A 608 1.714 -5.748 7.219 1.00 1.12 C ATOM 416 CD2 LEU A 608 -0.295 -6.363 8.481 1.00 50.15 C ATOM 0 H LEU A 608 -0.871 -4.328 10.003 1.00 51.11 H new ATOM 0 HA LEU A 608 1.736 -3.677 9.047 1.00 61.24 H new ATOM 0 HB2 LEU A 608 -1.037 -3.803 7.786 1.00 4.22 H new ATOM 0 HB3 LEU A 608 0.398 -3.396 6.866 1.00 4.22 H new ATOM 0 HG LEU A 608 -0.277 -5.680 6.480 1.00 50.24 H new ATOM 0 HD11 LEU A 608 1.854 -6.806 6.998 1.00 1.12 H new ATOM 0 HD12 LEU A 608 2.098 -5.150 6.392 1.00 1.12 H new ATOM 0 HD13 LEU A 608 2.253 -5.494 8.132 1.00 1.12 H new ATOM 0 HD21 LEU A 608 -0.115 -7.405 8.215 1.00 50.15 H new ATOM 0 HD22 LEU A 608 0.196 -6.140 9.429 1.00 50.15 H new ATOM 0 HD23 LEU A 608 -1.367 -6.193 8.579 1.00 50.15 H new ATOM 424 N THR A 609 -0.141 -1.251 9.813 1.00 74.13 N ATOM 425 CA THR A 609 -0.270 0.205 9.858 1.00 64.10 C ATOM 426 C THR A 609 1.008 0.843 10.420 1.00 32.43 C ATOM 427 O THR A 609 1.578 0.354 11.410 1.00 61.10 O ATOM 428 CB THR A 609 -1.476 0.597 10.739 1.00 25.11 C ATOM 429 OG1 THR A 609 -2.651 -0.089 10.272 1.00 3.32 O ATOM 430 CG2 THR A 609 -1.732 2.098 10.697 1.00 12.33 C ATOM 0 H THR A 609 -0.693 -1.744 10.515 1.00 74.13 H new ATOM 0 HA THR A 609 -0.427 0.570 8.843 1.00 64.10 H new ATOM 0 HB THR A 609 -1.249 0.313 11.767 1.00 25.11 H new ATOM 0 HG1 THR A 609 -2.928 0.286 9.410 1.00 3.32 H new ATOM 0 HG21 THR A 609 -2.588 2.339 11.328 1.00 12.33 H new ATOM 0 HG22 THR A 609 -0.852 2.628 11.061 1.00 12.33 H new ATOM 0 HG23 THR A 609 -1.940 2.403 9.671 1.00 12.33 H new ATOM 436 N LYS A 610 1.471 1.907 9.779 1.00 24.43 N ATOM 437 CA LYS A 610 2.630 2.626 10.248 1.00 41.30 C ATOM 438 C LYS A 610 2.371 4.116 10.242 1.00 73.31 C ATOM 439 O LYS A 610 1.750 4.635 9.326 1.00 1.20 O ATOM 440 CB LYS A 610 3.854 2.337 9.376 1.00 23.32 C ATOM 441 CG LYS A 610 4.330 0.908 9.398 1.00 73.54 C ATOM 442 CD LYS A 610 5.641 0.737 8.651 1.00 33.40 C ATOM 443 CE LYS A 610 6.158 -0.698 8.756 1.00 5.11 C ATOM 444 NZ LYS A 610 6.408 -1.098 10.158 1.00 43.12 N ATOM 0 H LYS A 610 1.054 2.287 8.929 1.00 24.43 H new ATOM 0 HA LYS A 610 2.828 2.289 11.265 1.00 41.30 H new ATOM 0 HB2 LYS A 610 3.621 2.610 8.347 1.00 23.32 H new ATOM 0 HB3 LYS A 610 4.672 2.981 9.699 1.00 23.32 H new ATOM 0 HG2 LYS A 610 4.455 0.583 10.431 1.00 73.54 H new ATOM 0 HG3 LYS A 610 3.571 0.266 8.951 1.00 73.54 H new ATOM 0 HD2 LYS A 610 5.501 0.999 7.602 1.00 33.40 H new ATOM 0 HD3 LYS A 610 6.384 1.424 9.055 1.00 33.40 H new ATOM 0 HE2 LYS A 610 5.432 -1.378 8.309 1.00 5.11 H new ATOM 0 HE3 LYS A 610 7.080 -0.794 8.182 1.00 5.11 H new ATOM 0 HZ1 LYS A 610 7.000 -1.953 10.175 1.00 43.12 H new ATOM 0 HZ2 LYS A 610 6.898 -0.328 10.657 1.00 43.12 H new ATOM 0 HZ3 LYS A 610 5.502 -1.295 10.630 1.00 43.12 H new ATOM 458 N LYS A 611 2.868 4.799 11.246 1.00 0.30 N ATOM 459 CA LYS A 611 2.756 6.245 11.317 1.00 4.55 C ATOM 460 C LYS A 611 3.698 6.851 10.288 1.00 13.32 C ATOM 461 O LYS A 611 3.391 7.841 9.622 1.00 22.43 O ATOM 462 CB LYS A 611 3.126 6.733 12.713 1.00 64.40 C ATOM 463 CG LYS A 611 2.724 8.180 12.997 1.00 14.02 C ATOM 464 CD LYS A 611 1.211 8.348 12.894 1.00 62.44 C ATOM 465 CE LYS A 611 0.769 9.769 13.184 1.00 32.25 C ATOM 466 NZ LYS A 611 -0.698 9.915 13.048 1.00 61.31 N ATOM 0 H LYS A 611 3.359 4.376 12.034 1.00 0.30 H new ATOM 0 HA LYS A 611 1.730 6.548 11.109 1.00 4.55 H new ATOM 0 HB2 LYS A 611 2.652 6.085 13.450 1.00 64.40 H new ATOM 0 HB3 LYS A 611 4.203 6.634 12.847 1.00 64.40 H new ATOM 0 HG2 LYS A 611 3.060 8.467 13.993 1.00 14.02 H new ATOM 0 HG3 LYS A 611 3.218 8.846 12.289 1.00 14.02 H new ATOM 0 HD2 LYS A 611 0.883 8.065 11.894 1.00 62.44 H new ATOM 0 HD3 LYS A 611 0.724 7.668 13.593 1.00 62.44 H new ATOM 0 HE2 LYS A 611 1.072 10.047 14.193 1.00 32.25 H new ATOM 0 HE3 LYS A 611 1.270 10.454 12.500 1.00 32.25 H new ATOM 0 HZ1 LYS A 611 -0.969 10.898 13.253 1.00 61.31 H new ATOM 0 HZ2 LYS A 611 -0.983 9.672 12.078 1.00 61.31 H new ATOM 0 HZ3 LYS A 611 -1.174 9.278 13.718 1.00 61.31 H new ATOM 480 N ASP A 612 4.855 6.230 10.189 1.00 21.13 N ATOM 481 CA ASP A 612 5.915 6.608 9.234 1.00 74.22 C ATOM 482 C ASP A 612 5.473 6.336 7.811 1.00 54.34 C ATOM 483 O ASP A 612 5.959 6.970 6.855 1.00 52.32 O ATOM 484 CB ASP A 612 7.211 5.843 9.551 1.00 13.41 C ATOM 485 CG ASP A 612 8.345 6.142 8.588 1.00 23.24 C ATOM 486 OD1 ASP A 612 8.765 7.321 8.485 1.00 11.13 O ATOM 487 OD2 ASP A 612 8.846 5.191 7.922 1.00 13.41 O ATOM 0 H ASP A 612 5.105 5.432 10.774 1.00 21.13 H new ATOM 0 HA ASP A 612 6.107 7.676 9.333 1.00 74.22 H new ATOM 0 HB2 ASP A 612 7.531 6.091 10.563 1.00 13.41 H new ATOM 0 HB3 ASP A 612 7.004 4.773 9.535 1.00 13.41 H new ATOM 492 N ALA A 613 4.525 5.406 7.689 1.00 32.30 N ATOM 493 CA ALA A 613 3.915 5.003 6.427 1.00 43.22 C ATOM 494 C ALA A 613 4.865 4.218 5.543 1.00 55.41 C ATOM 495 O ALA A 613 6.013 3.950 5.909 1.00 33.14 O ATOM 496 CB ALA A 613 3.349 6.203 5.682 1.00 22.51 C ATOM 0 H ALA A 613 4.151 4.899 8.491 1.00 32.30 H new ATOM 0 HA ALA A 613 3.093 4.334 6.680 1.00 43.22 H new ATOM 0 HB1 ALA A 613 2.901 5.871 4.745 1.00 22.51 H new ATOM 0 HB2 ALA A 613 2.590 6.687 6.296 1.00 22.51 H new ATOM 0 HB3 ALA A 613 4.150 6.911 5.470 1.00 22.51 H new ATOM 502 N TYR A 614 4.372 3.826 4.405 1.00 31.03 N ATOM 503 CA TYR A 614 5.140 3.111 3.434 1.00 51.24 C ATOM 504 C TYR A 614 5.356 3.987 2.238 1.00 11.32 C ATOM 505 O TYR A 614 4.418 4.636 1.769 1.00 74.04 O ATOM 506 CB TYR A 614 4.404 1.845 3.005 1.00 52.31 C ATOM 507 CG TYR A 614 4.241 0.824 4.101 1.00 22.45 C ATOM 508 CD1 TYR A 614 3.311 1.001 5.121 1.00 64.43 C ATOM 509 CD2 TYR A 614 5.010 -0.329 4.111 1.00 12.53 C ATOM 510 CE1 TYR A 614 3.162 0.079 6.100 1.00 23.14 C ATOM 511 CE2 TYR A 614 4.864 -1.269 5.102 1.00 53.22 C ATOM 512 CZ TYR A 614 3.931 -1.055 6.097 1.00 22.44 C ATOM 513 OH TYR A 614 3.767 -1.970 7.093 1.00 2.43 O ATOM 0 H TYR A 614 3.407 3.998 4.123 1.00 31.03 H new ATOM 0 HA TYR A 614 6.098 2.832 3.872 1.00 51.24 H new ATOM 0 HB2 TYR A 614 3.418 2.121 2.631 1.00 52.31 H new ATOM 0 HB3 TYR A 614 4.943 1.388 2.175 1.00 52.31 H new ATOM 0 HD1 TYR A 614 2.698 1.890 5.131 1.00 64.43 H new ATOM 0 HD2 TYR A 614 5.735 -0.491 3.327 1.00 12.53 H new ATOM 0 HE1 TYR A 614 2.436 0.237 6.884 1.00 23.14 H new ATOM 0 HE2 TYR A 614 5.470 -2.163 5.103 1.00 53.22 H new ATOM 0 HH TYR A 614 2.912 -1.812 7.544 1.00 2.43 H new ATOM 523 N LYS A 615 6.562 4.034 1.765 1.00 11.14 N ATOM 524 CA LYS A 615 6.865 4.794 0.597 1.00 35.00 C ATOM 525 C LYS A 615 7.333 3.875 -0.500 1.00 42.23 C ATOM 526 O LYS A 615 8.226 3.061 -0.295 1.00 43.41 O ATOM 527 CB LYS A 615 7.963 5.815 0.854 1.00 22.22 C ATOM 528 CG LYS A 615 8.300 6.648 -0.370 1.00 63.45 C ATOM 529 CD LYS A 615 9.719 7.210 -0.268 1.00 25.51 C ATOM 530 CE LYS A 615 9.973 8.017 0.984 1.00 1.32 C ATOM 531 NZ LYS A 615 11.377 8.441 1.093 1.00 33.24 N ATOM 0 H LYS A 615 7.359 3.549 2.176 1.00 11.14 H new ATOM 0 HA LYS A 615 5.954 5.318 0.309 1.00 35.00 H new ATOM 0 HB2 LYS A 615 7.653 6.477 1.663 1.00 22.22 H new ATOM 0 HB3 LYS A 615 8.861 5.297 1.192 1.00 22.22 H new ATOM 0 HG2 LYS A 615 8.209 6.037 -1.268 1.00 63.45 H new ATOM 0 HG3 LYS A 615 7.586 7.466 -0.467 1.00 63.45 H new ATOM 0 HD2 LYS A 615 10.429 6.384 -0.306 1.00 25.51 H new ATOM 0 HD3 LYS A 615 9.913 7.837 -1.138 1.00 25.51 H new ATOM 0 HE2 LYS A 615 9.328 8.896 0.985 1.00 1.32 H new ATOM 0 HE3 LYS A 615 9.705 7.423 1.858 1.00 1.32 H new ATOM 0 HZ1 LYS A 615 11.507 8.991 1.966 1.00 33.24 H new ATOM 0 HZ2 LYS A 615 11.992 7.603 1.118 1.00 33.24 H new ATOM 0 HZ3 LYS A 615 11.627 9.029 0.272 1.00 33.24 H new ATOM 545 N VAL A 616 6.739 4.012 -1.632 1.00 23.15 N ATOM 546 CA VAL A 616 7.144 3.307 -2.811 1.00 50.34 C ATOM 547 C VAL A 616 7.909 4.300 -3.639 1.00 50.53 C ATOM 548 O VAL A 616 7.458 5.424 -3.811 1.00 65.24 O ATOM 549 CB VAL A 616 5.931 2.846 -3.626 1.00 41.31 C ATOM 550 CG1 VAL A 616 6.355 1.997 -4.822 1.00 30.02 C ATOM 551 CG2 VAL A 616 4.927 2.118 -2.759 1.00 4.32 C ATOM 0 H VAL A 616 5.940 4.629 -1.775 1.00 23.15 H new ATOM 0 HA VAL A 616 7.728 2.426 -2.543 1.00 50.34 H new ATOM 0 HB VAL A 616 5.440 3.738 -4.015 1.00 41.31 H new ATOM 0 HG11 VAL A 616 5.471 1.686 -5.379 1.00 30.02 H new ATOM 0 HG12 VAL A 616 7.006 2.582 -5.471 1.00 30.02 H new ATOM 0 HG13 VAL A 616 6.891 1.115 -4.471 1.00 30.02 H new ATOM 0 HG21 VAL A 616 4.079 1.805 -3.369 1.00 4.32 H new ATOM 0 HG22 VAL A 616 5.398 1.241 -2.315 1.00 4.32 H new ATOM 0 HG23 VAL A 616 4.579 2.783 -1.968 1.00 4.32 H new ATOM 557 N GLU A 617 9.030 3.919 -4.124 1.00 52.02 N ATOM 558 CA GLU A 617 9.864 4.824 -4.862 1.00 4.43 C ATOM 559 C GLU A 617 9.987 4.400 -6.286 1.00 3.35 C ATOM 560 O GLU A 617 10.211 3.226 -6.578 1.00 42.10 O ATOM 561 CB GLU A 617 11.246 4.902 -4.239 1.00 31.31 C ATOM 562 CG GLU A 617 11.250 5.410 -2.821 1.00 53.01 C ATOM 563 CD GLU A 617 12.622 5.442 -2.232 1.00 40.44 C ATOM 564 OE1 GLU A 617 13.326 6.450 -2.403 1.00 3.41 O ATOM 565 OE2 GLU A 617 13.020 4.459 -1.574 1.00 20.32 O ATOM 0 H GLU A 617 9.406 2.976 -4.028 1.00 52.02 H new ATOM 0 HA GLU A 617 9.395 5.807 -4.827 1.00 4.43 H new ATOM 0 HB2 GLU A 617 11.700 3.911 -4.261 1.00 31.31 H new ATOM 0 HB3 GLU A 617 11.872 5.553 -4.849 1.00 31.31 H new ATOM 0 HG2 GLU A 617 10.823 6.413 -2.796 1.00 53.01 H new ATOM 0 HG3 GLU A 617 10.609 4.775 -2.209 1.00 53.01 H new ATOM 572 N THR A 618 9.837 5.337 -7.167 1.00 62.22 N ATOM 573 CA THR A 618 10.020 5.095 -8.542 1.00 22.14 C ATOM 574 C THR A 618 11.180 5.968 -8.984 1.00 32.15 C ATOM 575 O THR A 618 11.931 6.481 -8.121 1.00 13.40 O ATOM 576 CB THR A 618 8.734 5.418 -9.349 1.00 0.33 C ATOM 577 OG1 THR A 618 8.375 6.786 -9.176 1.00 55.05 O ATOM 578 CG2 THR A 618 7.574 4.549 -8.891 1.00 10.53 C ATOM 0 H THR A 618 9.581 6.298 -6.939 1.00 62.22 H new ATOM 0 HA THR A 618 10.234 4.042 -8.724 1.00 22.14 H new ATOM 0 HB THR A 618 8.942 5.217 -10.400 1.00 0.33 H new ATOM 0 HG1 THR A 618 8.539 7.052 -8.247 1.00 55.05 H new ATOM 0 HG21 THR A 618 6.684 4.794 -9.471 1.00 10.53 H new ATOM 0 HG22 THR A 618 7.826 3.499 -9.039 1.00 10.53 H new ATOM 0 HG23 THR A 618 7.379 4.730 -7.834 1.00 10.53 H new ATOM 584 N ASP A 619 11.352 6.147 -10.263 1.00 41.35 N ATOM 585 CA ASP A 619 12.454 6.943 -10.768 1.00 21.44 C ATOM 586 C ASP A 619 12.312 8.408 -10.392 1.00 13.04 C ATOM 587 O ASP A 619 13.301 9.065 -10.089 1.00 5.14 O ATOM 588 CB ASP A 619 12.619 6.795 -12.281 1.00 4.32 C ATOM 589 CG ASP A 619 12.951 5.392 -12.703 1.00 31.11 C ATOM 590 OD1 ASP A 619 14.143 5.043 -12.745 1.00 30.54 O ATOM 591 OD2 ASP A 619 12.018 4.615 -12.995 1.00 14.24 O ATOM 0 H ASP A 619 10.746 5.755 -10.983 1.00 41.35 H new ATOM 0 HA ASP A 619 13.356 6.558 -10.292 1.00 21.44 H new ATOM 0 HB2 ASP A 619 11.698 7.108 -12.773 1.00 4.32 H new ATOM 0 HB3 ASP A 619 13.407 7.467 -12.622 1.00 4.32 H new ATOM 596 N LYS A 620 11.086 8.931 -10.397 1.00 74.10 N ATOM 597 CA LYS A 620 10.901 10.352 -10.064 1.00 11.24 C ATOM 598 C LYS A 620 9.797 10.567 -9.052 1.00 44.20 C ATOM 599 O LYS A 620 9.560 11.698 -8.629 1.00 41.44 O ATOM 600 CB LYS A 620 10.594 11.257 -11.293 1.00 45.32 C ATOM 601 CG LYS A 620 11.535 11.192 -12.508 1.00 23.24 C ATOM 602 CD LYS A 620 11.298 9.951 -13.373 1.00 44.23 C ATOM 603 CE LYS A 620 9.863 9.914 -13.918 1.00 25.10 C ATOM 604 NZ LYS A 620 9.616 8.753 -14.802 1.00 31.34 N ATOM 0 H LYS A 620 10.232 8.419 -10.618 1.00 74.10 H new ATOM 0 HA LYS A 620 11.865 10.644 -9.647 1.00 11.24 H new ATOM 0 HB2 LYS A 620 9.589 11.015 -11.639 1.00 45.32 H new ATOM 0 HB3 LYS A 620 10.572 12.290 -10.946 1.00 45.32 H new ATOM 0 HG2 LYS A 620 11.398 12.086 -13.117 1.00 23.24 H new ATOM 0 HG3 LYS A 620 12.569 11.197 -12.162 1.00 23.24 H new ATOM 0 HD2 LYS A 620 12.004 9.944 -14.203 1.00 44.23 H new ATOM 0 HD3 LYS A 620 11.489 9.054 -12.784 1.00 44.23 H new ATOM 0 HE2 LYS A 620 9.163 9.885 -13.083 1.00 25.10 H new ATOM 0 HE3 LYS A 620 9.664 10.833 -14.469 1.00 25.10 H new ATOM 0 HZ1 LYS A 620 8.633 8.778 -15.141 1.00 31.34 H new ATOM 0 HZ2 LYS A 620 10.264 8.792 -15.615 1.00 31.34 H new ATOM 0 HZ3 LYS A 620 9.777 7.873 -14.272 1.00 31.34 H new ATOM 618 N TYR A 621 9.128 9.540 -8.660 1.00 11.15 N ATOM 619 CA TYR A 621 8.021 9.707 -7.751 1.00 23.30 C ATOM 620 C TYR A 621 8.172 8.828 -6.551 1.00 1.14 C ATOM 621 O TYR A 621 8.989 7.900 -6.537 1.00 34.22 O ATOM 622 CB TYR A 621 6.659 9.457 -8.461 1.00 42.40 C ATOM 623 CG TYR A 621 6.329 10.473 -9.546 1.00 53.41 C ATOM 624 CD1 TYR A 621 7.049 10.505 -10.729 1.00 1.22 C ATOM 625 CD2 TYR A 621 5.312 11.406 -9.379 1.00 52.13 C ATOM 626 CE1 TYR A 621 6.782 11.421 -11.706 1.00 74.34 C ATOM 627 CE2 TYR A 621 5.034 12.334 -10.365 1.00 4.02 C ATOM 628 CZ TYR A 621 5.777 12.335 -11.529 1.00 14.41 C ATOM 629 OH TYR A 621 5.512 13.256 -12.526 1.00 25.04 O ATOM 0 H TYR A 621 9.316 8.579 -8.944 1.00 11.15 H new ATOM 0 HA TYR A 621 8.029 10.743 -7.411 1.00 23.30 H new ATOM 0 HB2 TYR A 621 6.669 8.460 -8.902 1.00 42.40 H new ATOM 0 HB3 TYR A 621 5.865 9.467 -7.715 1.00 42.40 H new ATOM 0 HD1 TYR A 621 7.841 9.787 -10.883 1.00 1.22 H new ATOM 0 HD2 TYR A 621 4.732 11.406 -8.468 1.00 52.13 H new ATOM 0 HE1 TYR A 621 7.362 11.425 -12.617 1.00 74.34 H new ATOM 0 HE2 TYR A 621 4.241 13.054 -10.226 1.00 4.02 H new ATOM 0 HH TYR A 621 4.770 13.833 -12.249 1.00 25.04 H new ATOM 639 N GLU A 622 7.443 9.149 -5.544 1.00 4.51 N ATOM 640 CA GLU A 622 7.387 8.369 -4.373 1.00 61.34 C ATOM 641 C GLU A 622 5.951 8.373 -3.906 1.00 12.42 C ATOM 642 O GLU A 622 5.276 9.416 -3.902 1.00 22.41 O ATOM 643 CB GLU A 622 8.338 8.900 -3.289 1.00 11.01 C ATOM 644 CG GLU A 622 7.980 10.264 -2.772 1.00 71.23 C ATOM 645 CD GLU A 622 8.970 10.808 -1.778 1.00 63.04 C ATOM 646 OE1 GLU A 622 8.821 10.530 -0.572 1.00 64.32 O ATOM 647 OE2 GLU A 622 9.911 11.519 -2.180 1.00 73.44 O ATOM 0 H GLU A 622 6.856 9.983 -5.516 1.00 4.51 H new ATOM 0 HA GLU A 622 7.717 7.351 -4.580 1.00 61.34 H new ATOM 0 HB2 GLU A 622 8.348 8.198 -2.455 1.00 11.01 H new ATOM 0 HB3 GLU A 622 9.350 8.930 -3.692 1.00 11.01 H new ATOM 0 HG2 GLU A 622 7.904 10.954 -3.612 1.00 71.23 H new ATOM 0 HG3 GLU A 622 6.996 10.220 -2.306 1.00 71.23 H new ATOM 654 N PHE A 623 5.470 7.250 -3.563 1.00 34.43 N ATOM 655 CA PHE A 623 4.117 7.137 -3.154 1.00 55.53 C ATOM 656 C PHE A 623 4.090 6.743 -1.705 1.00 11.21 C ATOM 657 O PHE A 623 4.699 5.761 -1.326 1.00 73.51 O ATOM 658 CB PHE A 623 3.383 6.064 -3.989 1.00 0.05 C ATOM 659 CG PHE A 623 3.370 6.287 -5.492 1.00 12.22 C ATOM 660 CD1 PHE A 623 4.495 6.020 -6.262 1.00 13.35 C ATOM 661 CD2 PHE A 623 2.229 6.747 -6.134 1.00 51.01 C ATOM 662 CE1 PHE A 623 4.480 6.210 -7.626 1.00 14.13 C ATOM 663 CE2 PHE A 623 2.214 6.937 -7.496 1.00 54.52 C ATOM 664 CZ PHE A 623 3.340 6.670 -8.244 1.00 20.34 C ATOM 0 H PHE A 623 5.995 6.376 -3.554 1.00 34.43 H new ATOM 0 HA PHE A 623 3.614 8.093 -3.302 1.00 55.53 H new ATOM 0 HB2 PHE A 623 3.844 5.097 -3.789 1.00 0.05 H new ATOM 0 HB3 PHE A 623 2.352 6.003 -3.641 1.00 0.05 H new ATOM 0 HD1 PHE A 623 5.394 5.658 -5.784 1.00 13.35 H new ATOM 0 HD2 PHE A 623 1.341 6.959 -5.557 1.00 51.01 H new ATOM 0 HE1 PHE A 623 5.363 5.998 -8.211 1.00 14.13 H new ATOM 0 HE2 PHE A 623 1.318 7.296 -7.980 1.00 54.52 H new ATOM 0 HZ PHE A 623 3.328 6.821 -9.313 1.00 20.34 H new ATOM 674 N HIS A 624 3.424 7.505 -0.898 1.00 64.44 N ATOM 675 CA HIS A 624 3.280 7.166 0.488 1.00 62.23 C ATOM 676 C HIS A 624 1.888 6.736 0.748 1.00 3.54 C ATOM 677 O HIS A 624 0.940 7.475 0.483 1.00 72.12 O ATOM 678 CB HIS A 624 3.590 8.339 1.401 1.00 43.04 C ATOM 679 CG HIS A 624 4.989 8.801 1.373 1.00 44.43 C ATOM 680 ND1 HIS A 624 5.933 8.354 2.256 1.00 71.32 N ATOM 681 CD2 HIS A 624 5.611 9.693 0.579 1.00 22.24 C ATOM 682 CE1 HIS A 624 7.062 8.940 2.013 1.00 1.25 C ATOM 683 NE2 HIS A 624 6.897 9.761 0.999 1.00 12.34 N ATOM 0 H HIS A 624 2.967 8.374 -1.174 1.00 64.44 H new ATOM 0 HA HIS A 624 3.989 6.365 0.699 1.00 62.23 H new ATOM 0 HB2 HIS A 624 2.943 9.173 1.128 1.00 43.04 H new ATOM 0 HB3 HIS A 624 3.336 8.060 2.424 1.00 43.04 H new ATOM 0 HD2 HIS A 624 5.170 10.248 -0.236 1.00 22.24 H new ATOM 0 HE1 HIS A 624 7.984 8.781 2.552 1.00 1.25 H new ATOM 0 HE2 HIS A 624 7.621 10.354 0.594 1.00 12.34 H new ATOM 692 N ILE A 625 1.754 5.573 1.277 1.00 72.02 N ATOM 693 CA ILE A 625 0.474 5.047 1.610 1.00 21.43 C ATOM 694 C ILE A 625 0.580 4.412 2.965 1.00 34.11 C ATOM 695 O ILE A 625 1.684 4.035 3.406 1.00 72.31 O ATOM 696 CB ILE A 625 -0.035 3.976 0.582 1.00 74.21 C ATOM 697 CG1 ILE A 625 0.836 2.726 0.633 1.00 40.15 C ATOM 698 CG2 ILE A 625 -0.077 4.540 -0.840 1.00 20.21 C ATOM 699 CD1 ILE A 625 0.447 1.651 -0.366 1.00 3.20 C ATOM 0 H ILE A 625 2.534 4.953 1.494 1.00 72.02 H new ATOM 0 HA ILE A 625 -0.245 5.866 1.594 1.00 21.43 H new ATOM 0 HB ILE A 625 -1.052 3.705 0.864 1.00 74.21 H new ATOM 0 HG12 ILE A 625 1.873 3.012 0.455 1.00 40.15 H new ATOM 0 HG13 ILE A 625 0.789 2.306 1.638 1.00 40.15 H new ATOM 0 HG21 ILE A 625 -0.434 3.772 -1.526 1.00 20.21 H new ATOM 0 HG22 ILE A 625 -0.751 5.396 -0.872 1.00 20.21 H new ATOM 0 HG23 ILE A 625 0.924 4.854 -1.136 1.00 20.21 H new ATOM 0 HD11 ILE A 625 1.117 0.798 -0.262 1.00 3.20 H new ATOM 0 HD12 ILE A 625 -0.578 1.332 -0.177 1.00 3.20 H new ATOM 0 HD13 ILE A 625 0.522 2.050 -1.378 1.00 3.20 H new ATOM 706 N ASN A 626 -0.494 4.334 3.630 1.00 61.55 N ATOM 707 CA ASN A 626 -0.538 3.670 4.901 1.00 42.31 C ATOM 708 C ASN A 626 -1.687 2.693 4.900 1.00 0.15 C ATOM 709 O ASN A 626 -2.682 2.912 4.211 1.00 55.31 O ATOM 710 CB ASN A 626 -0.695 4.690 6.043 1.00 51.22 C ATOM 711 CG ASN A 626 -0.681 4.046 7.425 1.00 41.23 C ATOM 712 OD1 ASN A 626 -0.044 3.001 7.639 1.00 32.03 O ATOM 713 ND2 ASN A 626 -1.359 4.655 8.362 1.00 33.54 N ATOM 0 H ASN A 626 -1.385 4.725 3.325 1.00 61.55 H new ATOM 0 HA ASN A 626 0.397 3.134 5.063 1.00 42.31 H new ATOM 0 HB2 ASN A 626 0.110 5.422 5.982 1.00 51.22 H new ATOM 0 HB3 ASN A 626 -1.631 5.233 5.911 1.00 51.22 H new ATOM 0 HD21 ASN A 626 -1.377 4.274 9.308 1.00 33.54 H new ATOM 0 HD22 ASN A 626 -1.870 5.511 8.147 1.00 33.54 H new ATOM 719 N VAL A 627 -1.539 1.610 5.618 1.00 43.14 N ATOM 720 CA VAL A 627 -2.594 0.642 5.748 1.00 55.45 C ATOM 721 C VAL A 627 -3.504 1.121 6.829 1.00 54.45 C ATOM 722 O VAL A 627 -3.117 1.130 7.993 1.00 71.33 O ATOM 723 CB VAL A 627 -2.059 -0.760 6.123 1.00 34.41 C ATOM 724 CG1 VAL A 627 -3.198 -1.762 6.228 1.00 23.20 C ATOM 725 CG2 VAL A 627 -1.050 -1.225 5.107 1.00 74.15 C ATOM 0 H VAL A 627 -0.687 1.376 6.127 1.00 43.14 H new ATOM 0 HA VAL A 627 -3.107 0.546 4.791 1.00 55.45 H new ATOM 0 HB VAL A 627 -1.572 -0.690 7.096 1.00 34.41 H new ATOM 0 HG11 VAL A 627 -2.798 -2.741 6.493 1.00 23.20 H new ATOM 0 HG12 VAL A 627 -3.899 -1.437 6.996 1.00 23.20 H new ATOM 0 HG13 VAL A 627 -3.714 -1.828 5.270 1.00 23.20 H new ATOM 0 HG21 VAL A 627 -0.683 -2.213 5.385 1.00 74.15 H new ATOM 0 HG22 VAL A 627 -1.520 -1.275 4.125 1.00 74.15 H new ATOM 0 HG23 VAL A 627 -0.216 -0.524 5.075 1.00 74.15 H new ATOM 731 N CYS A 628 -4.678 1.551 6.424 1.00 62.11 N ATOM 732 CA CYS A 628 -5.715 2.098 7.290 1.00 35.43 C ATOM 733 C CYS A 628 -5.406 3.518 7.701 1.00 1.30 C ATOM 734 O CYS A 628 -4.249 3.905 7.890 1.00 41.51 O ATOM 735 CB CYS A 628 -5.904 1.279 8.561 1.00 61.11 C ATOM 736 SG CYS A 628 -6.336 -0.455 8.354 1.00 54.04 S ATOM 0 H CYS A 628 -4.954 1.531 5.442 1.00 62.11 H new ATOM 0 HA CYS A 628 -6.630 2.066 6.698 1.00 35.43 H new ATOM 0 HB2 CYS A 628 -4.982 1.332 9.139 1.00 61.11 H new ATOM 0 HB3 CYS A 628 -6.683 1.754 9.158 1.00 61.11 H new ATOM 741 N GLY A 629 -6.449 4.270 7.863 1.00 75.20 N ATOM 742 CA GLY A 629 -6.348 5.591 8.365 1.00 12.42 C ATOM 743 C GLY A 629 -5.656 6.514 7.420 1.00 63.03 C ATOM 744 O GLY A 629 -5.745 6.369 6.195 1.00 74.24 O ATOM 0 H GLY A 629 -7.401 3.975 7.646 1.00 75.20 H new ATOM 0 HA2 GLY A 629 -7.347 5.973 8.574 1.00 12.42 H new ATOM 0 HA3 GLY A 629 -5.808 5.575 9.312 1.00 12.42 H new ATOM 748 N PRO A 630 -5.002 7.492 7.967 1.00 63.13 N ATOM 749 CA PRO A 630 -4.263 8.452 7.222 1.00 31.14 C ATOM 750 C PRO A 630 -2.773 8.141 7.138 1.00 13.53 C ATOM 751 O PRO A 630 -2.231 7.311 7.891 1.00 32.42 O ATOM 752 CB PRO A 630 -4.466 9.690 8.045 1.00 65.15 C ATOM 753 CG PRO A 630 -4.605 9.206 9.460 1.00 13.40 C ATOM 754 CD PRO A 630 -4.975 7.772 9.400 1.00 4.02 C ATOM 0 HA PRO A 630 -4.592 8.507 6.184 1.00 31.14 H new ATOM 0 HB2 PRO A 630 -3.622 10.373 7.944 1.00 65.15 H new ATOM 0 HB3 PRO A 630 -5.355 10.233 7.726 1.00 65.15 H new ATOM 0 HG2 PRO A 630 -3.671 9.339 10.005 1.00 13.40 H new ATOM 0 HG3 PRO A 630 -5.367 9.778 9.989 1.00 13.40 H new ATOM 0 HD2 PRO A 630 -4.248 7.147 9.918 1.00 4.02 H new ATOM 0 HD3 PRO A 630 -5.943 7.587 9.864 1.00 4.02 H new ATOM 762 N VAL A 631 -2.122 8.821 6.253 1.00 54.31 N ATOM 763 CA VAL A 631 -0.729 8.701 6.081 1.00 32.01 C ATOM 764 C VAL A 631 -0.074 9.930 6.709 1.00 2.12 C ATOM 765 O VAL A 631 -0.491 11.067 6.462 1.00 71.30 O ATOM 766 CB VAL A 631 -0.366 8.568 4.560 1.00 4.34 C ATOM 767 CG1 VAL A 631 -0.701 9.801 3.725 1.00 63.45 C ATOM 768 CG2 VAL A 631 1.046 8.137 4.355 1.00 25.53 C ATOM 0 H VAL A 631 -2.562 9.488 5.620 1.00 54.31 H new ATOM 0 HA VAL A 631 -0.361 7.799 6.570 1.00 32.01 H new ATOM 0 HB VAL A 631 -1.017 7.777 4.187 1.00 4.34 H new ATOM 0 HG11 VAL A 631 -0.418 9.625 2.687 1.00 63.45 H new ATOM 0 HG12 VAL A 631 -1.771 9.999 3.781 1.00 63.45 H new ATOM 0 HG13 VAL A 631 -0.153 10.661 4.110 1.00 63.45 H new ATOM 0 HG21 VAL A 631 1.251 8.059 3.287 1.00 25.53 H new ATOM 0 HG22 VAL A 631 1.718 8.870 4.801 1.00 25.53 H new ATOM 0 HG23 VAL A 631 1.202 7.167 4.827 1.00 25.53 H new ATOM 774 N SER A 632 0.910 9.723 7.533 1.00 74.44 N ATOM 775 CA SER A 632 1.547 10.837 8.161 1.00 32.35 C ATOM 776 C SER A 632 2.789 11.231 7.398 1.00 2.11 C ATOM 777 O SER A 632 3.905 10.828 7.731 1.00 12.13 O ATOM 778 CB SER A 632 1.837 10.568 9.652 1.00 42.32 C ATOM 779 OG SER A 632 2.448 11.682 10.295 1.00 43.33 O ATOM 0 H SER A 632 1.283 8.807 7.782 1.00 74.44 H new ATOM 0 HA SER A 632 0.859 11.682 8.135 1.00 32.35 H new ATOM 0 HB2 SER A 632 0.905 10.323 10.162 1.00 42.32 H new ATOM 0 HB3 SER A 632 2.488 9.698 9.742 1.00 42.32 H new ATOM 0 HG SER A 632 2.756 11.417 11.187 1.00 43.33 H new ATOM 785 N VAL A 633 2.580 11.937 6.318 1.00 72.12 N ATOM 786 CA VAL A 633 3.677 12.444 5.525 1.00 1.04 C ATOM 787 C VAL A 633 3.736 13.933 5.723 1.00 24.12 C ATOM 788 O VAL A 633 2.698 14.595 5.710 1.00 54.21 O ATOM 789 CB VAL A 633 3.479 12.172 4.012 1.00 22.24 C ATOM 790 CG1 VAL A 633 4.741 12.456 3.225 1.00 30.33 C ATOM 791 CG2 VAL A 633 3.018 10.779 3.769 1.00 63.31 C ATOM 0 H VAL A 633 1.655 12.177 5.963 1.00 72.12 H new ATOM 0 HA VAL A 633 4.591 11.943 5.844 1.00 1.04 H new ATOM 0 HB VAL A 633 2.704 12.855 3.663 1.00 22.24 H new ATOM 0 HG11 VAL A 633 4.564 12.254 2.169 1.00 30.33 H new ATOM 0 HG12 VAL A 633 5.022 13.501 3.353 1.00 30.33 H new ATOM 0 HG13 VAL A 633 5.547 11.817 3.587 1.00 30.33 H new ATOM 0 HG21 VAL A 633 2.889 10.620 2.698 1.00 63.31 H new ATOM 0 HG22 VAL A 633 3.759 10.078 4.153 1.00 63.31 H new ATOM 0 HG23 VAL A 633 2.068 10.616 4.277 1.00 63.31 H new ATOM 797 N GLY A 634 4.922 14.467 5.870 1.00 43.31 N ATOM 798 CA GLY A 634 5.075 15.898 6.069 1.00 45.35 C ATOM 799 C GLY A 634 4.916 16.691 4.778 1.00 4.45 C ATOM 800 O GLY A 634 5.273 17.864 4.718 1.00 15.44 O ATOM 0 H GLY A 634 5.796 13.941 5.857 1.00 43.31 H new ATOM 0 HA2 GLY A 634 4.337 16.241 6.794 1.00 45.35 H new ATOM 0 HA3 GLY A 634 6.058 16.098 6.495 1.00 45.35 H new ATOM 804 N ALA A 635 4.373 16.051 3.750 1.00 64.43 N ATOM 805 CA ALA A 635 4.170 16.693 2.469 1.00 42.31 C ATOM 806 C ALA A 635 2.747 16.467 1.994 1.00 2.22 C ATOM 807 O ALA A 635 2.379 16.849 0.869 1.00 61.14 O ATOM 808 CB ALA A 635 5.160 16.153 1.445 1.00 70.43 C ATOM 0 H ALA A 635 4.065 15.079 3.785 1.00 64.43 H new ATOM 0 HA ALA A 635 4.337 17.764 2.582 1.00 42.31 H new ATOM 0 HB1 ALA A 635 4.996 16.645 0.486 1.00 70.43 H new ATOM 0 HB2 ALA A 635 6.177 16.349 1.784 1.00 70.43 H new ATOM 0 HB3 ALA A 635 5.016 15.079 1.331 1.00 70.43 H new ATOM 814 N CYS A 636 1.945 15.856 2.849 1.00 14.41 N ATOM 815 CA CYS A 636 0.588 15.528 2.510 1.00 42.33 C ATOM 816 C CYS A 636 -0.325 15.789 3.700 1.00 54.12 C ATOM 817 O CYS A 636 0.110 15.681 4.849 1.00 42.12 O ATOM 818 CB CYS A 636 0.513 14.066 2.090 1.00 40.02 C ATOM 819 SG CYS A 636 1.562 13.667 0.649 1.00 34.22 S ATOM 0 H CYS A 636 2.222 15.578 3.790 1.00 14.41 H new ATOM 0 HA CYS A 636 0.258 16.154 1.681 1.00 42.33 H new ATOM 0 HB2 CYS A 636 0.810 13.439 2.931 1.00 40.02 H new ATOM 0 HB3 CYS A 636 -0.522 13.816 1.856 1.00 40.02 H new ATOM 824 N PRO A 637 -1.592 16.160 3.451 1.00 62.43 N ATOM 825 CA PRO A 637 -2.547 16.440 4.514 1.00 72.10 C ATOM 826 C PRO A 637 -2.914 15.170 5.301 1.00 64.44 C ATOM 827 O PRO A 637 -3.060 14.089 4.716 1.00 34.51 O ATOM 828 CB PRO A 637 -3.781 16.972 3.763 1.00 24.54 C ATOM 829 CG PRO A 637 -3.659 16.415 2.391 1.00 42.42 C ATOM 830 CD PRO A 637 -2.189 16.331 2.110 1.00 74.13 C ATOM 0 HA PRO A 637 -2.147 17.139 5.249 1.00 72.10 H new ATOM 0 HB2 PRO A 637 -4.705 16.648 4.241 1.00 24.54 H new ATOM 0 HB3 PRO A 637 -3.795 18.062 3.748 1.00 24.54 H new ATOM 0 HG2 PRO A 637 -4.126 15.432 2.326 1.00 42.42 H new ATOM 0 HG3 PRO A 637 -4.160 17.055 1.664 1.00 42.42 H new ATOM 0 HD2 PRO A 637 -1.953 15.492 1.455 1.00 74.13 H new ATOM 0 HD3 PRO A 637 -1.822 17.232 1.619 1.00 74.13 H new ATOM 838 N PRO A 638 -3.091 15.285 6.634 1.00 10.23 N ATOM 839 CA PRO A 638 -3.458 14.150 7.507 1.00 52.41 C ATOM 840 C PRO A 638 -4.800 13.523 7.129 1.00 14.42 C ATOM 841 O PRO A 638 -5.172 12.487 7.638 1.00 40.24 O ATOM 842 CB PRO A 638 -3.538 14.769 8.903 1.00 11.31 C ATOM 843 CG PRO A 638 -2.748 16.021 8.809 1.00 21.33 C ATOM 844 CD PRO A 638 -2.924 16.521 7.413 1.00 3.50 C ATOM 0 HA PRO A 638 -2.733 13.340 7.427 1.00 52.41 H new ATOM 0 HB2 PRO A 638 -4.570 14.973 9.186 1.00 11.31 H new ATOM 0 HB3 PRO A 638 -3.127 14.098 9.657 1.00 11.31 H new ATOM 0 HG2 PRO A 638 -3.097 16.757 9.533 1.00 21.33 H new ATOM 0 HG3 PRO A 638 -1.696 15.835 9.026 1.00 21.33 H new ATOM 0 HD2 PRO A 638 -3.793 17.173 7.325 1.00 3.50 H new ATOM 0 HD3 PRO A 638 -2.060 17.095 7.078 1.00 3.50 H new ATOM 852 N ASP A 639 -5.538 14.186 6.271 1.00 51.51 N ATOM 853 CA ASP A 639 -6.807 13.666 5.793 1.00 53.44 C ATOM 854 C ASP A 639 -6.617 12.617 4.728 1.00 52.21 C ATOM 855 O ASP A 639 -7.566 11.954 4.342 1.00 60.02 O ATOM 856 CB ASP A 639 -7.710 14.778 5.267 1.00 64.40 C ATOM 857 CG ASP A 639 -8.188 15.690 6.351 1.00 61.43 C ATOM 858 OD1 ASP A 639 -7.474 16.655 6.685 1.00 30.35 O ATOM 859 OD2 ASP A 639 -9.285 15.444 6.903 1.00 44.31 O ATOM 0 H ASP A 639 -5.283 15.095 5.884 1.00 51.51 H new ATOM 0 HA ASP A 639 -7.292 13.202 6.652 1.00 53.44 H new ATOM 0 HB2 ASP A 639 -7.168 15.359 4.521 1.00 64.40 H new ATOM 0 HB3 ASP A 639 -8.570 14.336 4.764 1.00 64.40 H new ATOM 864 N SER A 640 -5.401 12.457 4.253 1.00 45.43 N ATOM 865 CA SER A 640 -5.141 11.487 3.223 1.00 43.02 C ATOM 866 C SER A 640 -4.487 10.247 3.803 1.00 64.10 C ATOM 867 O SER A 640 -3.718 10.342 4.750 1.00 33.23 O ATOM 868 CB SER A 640 -4.284 12.092 2.090 1.00 22.13 C ATOM 869 OG SER A 640 -3.020 12.564 2.550 1.00 32.52 O ATOM 0 H SER A 640 -4.585 12.984 4.564 1.00 45.43 H new ATOM 0 HA SER A 640 -6.097 11.192 2.790 1.00 43.02 H new ATOM 0 HB2 SER A 640 -4.127 11.340 1.317 1.00 22.13 H new ATOM 0 HB3 SER A 640 -4.829 12.915 1.628 1.00 22.13 H new ATOM 0 HG SER A 640 -3.156 13.295 3.189 1.00 32.52 H new ATOM 875 N GLY A 641 -4.832 9.097 3.259 1.00 1.33 N ATOM 876 CA GLY A 641 -4.225 7.845 3.669 1.00 75.34 C ATOM 877 C GLY A 641 -3.240 7.357 2.634 1.00 5.22 C ATOM 878 O GLY A 641 -2.399 6.487 2.901 1.00 40.24 O ATOM 0 H GLY A 641 -5.535 9.003 2.526 1.00 1.33 H new ATOM 0 HA2 GLY A 641 -3.718 7.978 4.625 1.00 75.34 H new ATOM 0 HA3 GLY A 641 -5.000 7.094 3.822 1.00 75.34 H new ATOM 882 N ALA A 642 -3.345 7.920 1.452 1.00 13.24 N ATOM 883 CA ALA A 642 -2.443 7.630 0.369 1.00 70.33 C ATOM 884 C ALA A 642 -2.210 8.901 -0.397 1.00 22.44 C ATOM 885 O ALA A 642 -3.151 9.550 -0.864 1.00 50.15 O ATOM 886 CB ALA A 642 -3.024 6.549 -0.524 1.00 73.12 C ATOM 0 H ALA A 642 -4.068 8.599 1.216 1.00 13.24 H new ATOM 0 HA ALA A 642 -1.493 7.257 0.753 1.00 70.33 H new ATOM 0 HB1 ALA A 642 -2.331 6.339 -1.339 1.00 73.12 H new ATOM 0 HB2 ALA A 642 -3.183 5.642 0.059 1.00 73.12 H new ATOM 0 HB3 ALA A 642 -3.975 6.888 -0.934 1.00 73.12 H new ATOM 892 N CYS A 643 -0.981 9.265 -0.496 1.00 11.11 N ATOM 893 CA CYS A 643 -0.587 10.477 -1.135 1.00 1.40 C ATOM 894 C CYS A 643 0.691 10.277 -1.922 1.00 60.13 C ATOM 895 O CYS A 643 1.644 9.645 -1.435 1.00 54.21 O ATOM 896 CB CYS A 643 -0.428 11.577 -0.097 1.00 14.11 C ATOM 897 SG CYS A 643 0.210 13.148 -0.748 1.00 50.31 S ATOM 0 H CYS A 643 -0.202 8.719 -0.128 1.00 11.11 H new ATOM 0 HA CYS A 643 -1.363 10.776 -1.840 1.00 1.40 H new ATOM 0 HB2 CYS A 643 -1.396 11.759 0.371 1.00 14.11 H new ATOM 0 HB3 CYS A 643 0.243 11.225 0.686 1.00 14.11 H new ATOM 902 N GLN A 644 0.726 10.787 -3.118 1.00 50.15 N ATOM 903 CA GLN A 644 1.913 10.681 -3.923 1.00 74.14 C ATOM 904 C GLN A 644 2.594 12.011 -4.000 1.00 1.50 C ATOM 905 O GLN A 644 1.939 13.043 -4.038 1.00 42.00 O ATOM 906 CB GLN A 644 1.619 10.217 -5.337 1.00 51.24 C ATOM 907 CG GLN A 644 0.619 11.076 -6.084 1.00 5.12 C ATOM 908 CD GLN A 644 0.468 10.694 -7.541 1.00 13.41 C ATOM 909 OE1 GLN A 644 1.397 10.193 -8.174 1.00 74.32 O ATOM 910 NE2 GLN A 644 -0.675 10.978 -8.097 1.00 33.50 N ATOM 0 H GLN A 644 -0.050 11.280 -3.559 1.00 50.15 H new ATOM 0 HA GLN A 644 2.551 9.938 -3.444 1.00 74.14 H new ATOM 0 HB2 GLN A 644 2.552 10.195 -5.900 1.00 51.24 H new ATOM 0 HB3 GLN A 644 1.244 9.194 -5.300 1.00 51.24 H new ATOM 0 HG2 GLN A 644 -0.352 11.000 -5.594 1.00 5.12 H new ATOM 0 HG3 GLN A 644 0.928 12.119 -6.020 1.00 5.12 H new ATOM 0 HE21 GLN A 644 -1.423 11.393 -7.542 1.00 33.50 H new ATOM 0 HE22 GLN A 644 -0.822 10.786 -9.088 1.00 33.50 H new ATOM 918 N VAL A 645 3.883 11.985 -4.004 1.00 70.11 N ATOM 919 CA VAL A 645 4.665 13.163 -4.124 1.00 55.11 C ATOM 920 C VAL A 645 5.809 12.916 -5.099 1.00 4.14 C ATOM 921 O VAL A 645 6.449 11.862 -5.079 1.00 42.34 O ATOM 922 CB VAL A 645 5.138 13.729 -2.726 1.00 53.12 C ATOM 923 CG1 VAL A 645 5.876 12.698 -1.912 1.00 54.44 C ATOM 924 CG2 VAL A 645 5.983 14.993 -2.882 1.00 54.31 C ATOM 0 H VAL A 645 4.431 11.128 -3.922 1.00 70.11 H new ATOM 0 HA VAL A 645 4.041 13.956 -4.535 1.00 55.11 H new ATOM 0 HB VAL A 645 4.231 13.992 -2.182 1.00 53.12 H new ATOM 0 HG11 VAL A 645 6.180 13.135 -0.961 1.00 54.44 H new ATOM 0 HG12 VAL A 645 5.223 11.845 -1.727 1.00 54.44 H new ATOM 0 HG13 VAL A 645 6.759 12.367 -2.458 1.00 54.44 H new ATOM 0 HG21 VAL A 645 6.288 15.350 -1.898 1.00 54.31 H new ATOM 0 HG22 VAL A 645 6.868 14.768 -3.477 1.00 54.31 H new ATOM 0 HG23 VAL A 645 5.396 15.764 -3.382 1.00 54.31 H new ATOM 930 N SER A 646 6.006 13.835 -5.987 1.00 51.53 N ATOM 931 CA SER A 646 7.057 13.737 -6.941 1.00 35.14 C ATOM 932 C SER A 646 8.354 14.113 -6.276 1.00 74.05 C ATOM 933 O SER A 646 8.500 15.229 -5.791 1.00 14.53 O ATOM 934 CB SER A 646 6.782 14.661 -8.138 1.00 62.31 C ATOM 935 OG SER A 646 7.858 14.634 -9.069 1.00 61.30 O ATOM 0 H SER A 646 5.438 14.678 -6.070 1.00 51.53 H new ATOM 0 HA SER A 646 7.119 12.714 -7.312 1.00 35.14 H new ATOM 0 HB2 SER A 646 5.861 14.353 -8.634 1.00 62.31 H new ATOM 0 HB3 SER A 646 6.629 15.681 -7.785 1.00 62.31 H new ATOM 0 HG SER A 646 7.562 15.014 -9.922 1.00 61.30 H new ATOM 941 N ARG A 647 9.295 13.191 -6.245 1.00 5.42 N ATOM 942 CA ARG A 647 10.594 13.465 -5.643 1.00 74.21 C ATOM 943 C ARG A 647 11.354 14.426 -6.550 1.00 53.31 C ATOM 944 O ARG A 647 12.281 15.095 -6.136 1.00 15.03 O ATOM 945 CB ARG A 647 11.395 12.160 -5.408 1.00 30.41 C ATOM 946 CG ARG A 647 11.928 11.490 -6.653 1.00 32.10 C ATOM 947 CD ARG A 647 12.486 10.113 -6.346 1.00 41.41 C ATOM 948 NE ARG A 647 13.605 10.129 -5.391 1.00 53.42 N ATOM 949 CZ ARG A 647 13.959 9.080 -4.629 1.00 15.14 C ATOM 950 NH1 ARG A 647 13.254 7.952 -4.682 1.00 2.44 N ATOM 951 NH2 ARG A 647 15.010 9.162 -3.819 1.00 61.34 N ATOM 0 H ARG A 647 9.191 12.250 -6.625 1.00 5.42 H new ATOM 0 HA ARG A 647 10.452 13.922 -4.664 1.00 74.21 H new ATOM 0 HB2 ARG A 647 12.234 12.383 -4.749 1.00 30.41 H new ATOM 0 HB3 ARG A 647 10.756 11.452 -4.881 1.00 30.41 H new ATOM 0 HG2 ARG A 647 11.131 11.405 -7.392 1.00 32.10 H new ATOM 0 HG3 ARG A 647 12.708 12.110 -7.096 1.00 32.10 H new ATOM 0 HD2 ARG A 647 11.688 9.488 -5.946 1.00 41.41 H new ATOM 0 HD3 ARG A 647 12.819 9.650 -7.275 1.00 41.41 H new ATOM 0 HE ARG A 647 14.146 10.989 -5.302 1.00 53.42 H new ATOM 0 HH11 ARG A 647 12.446 7.884 -5.301 1.00 2.44 H new ATOM 0 HH12 ARG A 647 13.522 7.155 -4.104 1.00 2.44 H new ATOM 0 HH21 ARG A 647 15.553 10.024 -3.773 1.00 61.34 H new ATOM 0 HH22 ARG A 647 15.274 8.362 -3.243 1.00 61.34 H new ATOM 963 N SER A 648 10.946 14.449 -7.806 1.00 64.15 N ATOM 964 CA SER A 648 11.523 15.304 -8.800 1.00 13.21 C ATOM 965 C SER A 648 10.938 16.732 -8.731 1.00 0.02 C ATOM 966 O SER A 648 11.671 17.719 -8.740 1.00 64.21 O ATOM 967 CB SER A 648 11.266 14.703 -10.186 1.00 23.25 C ATOM 968 OG SER A 648 11.901 15.444 -11.207 1.00 35.43 O ATOM 0 H SER A 648 10.191 13.860 -8.159 1.00 64.15 H new ATOM 0 HA SER A 648 12.594 15.377 -8.613 1.00 13.21 H new ATOM 0 HB2 SER A 648 11.625 13.674 -10.208 1.00 23.25 H new ATOM 0 HB3 SER A 648 10.193 14.671 -10.375 1.00 23.25 H new ATOM 0 HG SER A 648 11.716 15.030 -12.076 1.00 35.43 H new ATOM 974 N ASP A 649 9.612 16.828 -8.655 1.00 31.55 N ATOM 975 CA ASP A 649 8.924 18.135 -8.758 1.00 54.44 C ATOM 976 C ASP A 649 8.554 18.712 -7.417 1.00 31.34 C ATOM 977 O ASP A 649 8.304 19.902 -7.300 1.00 73.32 O ATOM 978 CB ASP A 649 7.631 18.014 -9.587 1.00 63.30 C ATOM 979 CG ASP A 649 7.832 17.464 -10.975 1.00 32.33 C ATOM 980 OD1 ASP A 649 7.775 16.221 -11.144 1.00 33.34 O ATOM 981 OD2 ASP A 649 8.032 18.254 -11.918 1.00 52.32 O ATOM 0 H ASP A 649 8.989 16.031 -8.524 1.00 31.55 H new ATOM 0 HA ASP A 649 9.638 18.800 -9.244 1.00 54.44 H new ATOM 0 HB2 ASP A 649 6.930 17.373 -9.053 1.00 63.30 H new ATOM 0 HB3 ASP A 649 7.169 18.998 -9.663 1.00 63.30 H new ATOM 986 N ARG A 650 8.510 17.871 -6.422 1.00 41.20 N ATOM 987 CA ARG A 650 8.073 18.247 -5.056 1.00 55.32 C ATOM 988 C ARG A 650 6.592 18.571 -4.978 1.00 40.23 C ATOM 989 O ARG A 650 6.118 19.176 -4.013 1.00 52.42 O ATOM 990 CB ARG A 650 8.952 19.326 -4.378 1.00 74.21 C ATOM 991 CG ARG A 650 10.299 18.820 -3.854 1.00 62.14 C ATOM 992 CD ARG A 650 11.229 18.322 -4.943 1.00 61.20 C ATOM 993 NE ARG A 650 12.424 17.706 -4.370 1.00 50.11 N ATOM 994 CZ ARG A 650 13.625 17.641 -4.949 1.00 23.11 C ATOM 995 NH1 ARG A 650 13.836 18.206 -6.135 1.00 54.11 N ATOM 996 NH2 ARG A 650 14.615 16.998 -4.338 1.00 52.53 N ATOM 0 H ARG A 650 8.774 16.890 -6.511 1.00 41.20 H new ATOM 0 HA ARG A 650 8.228 17.346 -4.463 1.00 55.32 H new ATOM 0 HB2 ARG A 650 9.134 20.128 -5.093 1.00 74.21 H new ATOM 0 HB3 ARG A 650 8.395 19.760 -3.548 1.00 74.21 H new ATOM 0 HG2 ARG A 650 10.792 19.624 -3.308 1.00 62.14 H new ATOM 0 HG3 ARG A 650 10.122 18.013 -3.143 1.00 62.14 H new ATOM 0 HD2 ARG A 650 10.707 17.598 -5.569 1.00 61.20 H new ATOM 0 HD3 ARG A 650 11.517 19.152 -5.588 1.00 61.20 H new ATOM 0 HE ARG A 650 12.332 17.288 -3.444 1.00 50.11 H new ATOM 0 HH11 ARG A 650 13.077 18.694 -6.610 1.00 54.11 H new ATOM 0 HH12 ARG A 650 14.757 18.151 -6.569 1.00 54.11 H new ATOM 0 HH21 ARG A 650 14.455 16.558 -3.432 1.00 52.53 H new ATOM 0 HH22 ARG A 650 15.535 16.945 -4.775 1.00 52.53 H new ATOM 1008 N LYS A 651 5.862 18.120 -5.960 1.00 71.21 N ATOM 1009 CA LYS A 651 4.431 18.281 -5.978 1.00 71.23 C ATOM 1010 C LYS A 651 3.801 17.054 -5.419 1.00 70.12 C ATOM 1011 O LYS A 651 4.395 15.984 -5.477 1.00 53.52 O ATOM 1012 CB LYS A 651 3.942 18.466 -7.376 1.00 71.32 C ATOM 1013 CG LYS A 651 4.542 19.635 -8.070 1.00 21.42 C ATOM 1014 CD LYS A 651 3.903 19.825 -9.431 1.00 23.51 C ATOM 1015 CE LYS A 651 2.396 20.114 -9.364 1.00 5.21 C ATOM 1016 NZ LYS A 651 2.069 21.351 -8.628 1.00 4.03 N ATOM 0 H LYS A 651 6.240 17.630 -6.771 1.00 71.21 H new ATOM 0 HA LYS A 651 4.169 19.158 -5.386 1.00 71.23 H new ATOM 0 HB2 LYS A 651 4.158 17.564 -7.949 1.00 71.32 H new ATOM 0 HB3 LYS A 651 2.858 18.581 -7.360 1.00 71.32 H new ATOM 0 HG2 LYS A 651 4.405 20.533 -7.468 1.00 21.42 H new ATOM 0 HG3 LYS A 651 5.616 19.488 -8.183 1.00 21.42 H new ATOM 0 HD2 LYS A 651 4.400 20.647 -9.946 1.00 23.51 H new ATOM 0 HD3 LYS A 651 4.067 18.929 -10.029 1.00 23.51 H new ATOM 0 HE2 LYS A 651 2.002 20.188 -10.378 1.00 5.21 H new ATOM 0 HE3 LYS A 651 1.893 19.273 -8.887 1.00 5.21 H new ATOM 0 HZ1 LYS A 651 1.041 21.506 -8.649 1.00 4.03 H new ATOM 0 HZ2 LYS A 651 2.386 21.262 -7.642 1.00 4.03 H new ATOM 0 HZ3 LYS A 651 2.549 22.158 -9.075 1.00 4.03 H new ATOM 1030 N SER A 652 2.610 17.174 -4.937 1.00 70.22 N ATOM 1031 CA SER A 652 1.946 16.043 -4.335 1.00 33.35 C ATOM 1032 C SER A 652 0.467 16.022 -4.641 1.00 63.30 C ATOM 1033 O SER A 652 -0.136 17.059 -4.899 1.00 51.24 O ATOM 1034 CB SER A 652 2.243 15.934 -2.830 1.00 33.52 C ATOM 1035 OG SER A 652 1.923 17.143 -2.111 1.00 52.02 O ATOM 0 H SER A 652 2.068 18.038 -4.943 1.00 70.22 H new ATOM 0 HA SER A 652 2.364 15.147 -4.795 1.00 33.35 H new ATOM 0 HB2 SER A 652 1.673 15.105 -2.410 1.00 33.52 H new ATOM 0 HB3 SER A 652 3.298 15.700 -2.688 1.00 33.52 H new ATOM 0 HG SER A 652 2.082 17.006 -1.154 1.00 52.02 H new ATOM 1041 N TRP A 653 -0.101 14.836 -4.641 1.00 43.22 N ATOM 1042 CA TRP A 653 -1.491 14.626 -4.978 1.00 64.34 C ATOM 1043 C TRP A 653 -2.117 13.657 -3.980 1.00 52.33 C ATOM 1044 O TRP A 653 -1.442 12.753 -3.481 1.00 20.31 O ATOM 1045 CB TRP A 653 -1.613 14.041 -6.405 1.00 63.24 C ATOM 1046 CG TRP A 653 -1.046 14.911 -7.506 1.00 71.43 C ATOM 1047 CD1 TRP A 653 -1.738 15.782 -8.289 1.00 64.14 C ATOM 1048 CD2 TRP A 653 0.331 14.982 -7.946 1.00 23.32 C ATOM 1049 NE1 TRP A 653 -0.889 16.395 -9.178 1.00 1.31 N ATOM 1050 CE2 TRP A 653 0.385 15.916 -8.992 1.00 14.24 C ATOM 1051 CE3 TRP A 653 1.515 14.343 -7.553 1.00 71.23 C ATOM 1052 CZ2 TRP A 653 1.578 16.230 -9.649 1.00 72.11 C ATOM 1053 CZ3 TRP A 653 2.688 14.647 -8.195 1.00 11.43 C ATOM 1054 CH2 TRP A 653 2.718 15.582 -9.237 1.00 51.42 C ATOM 0 H TRP A 653 0.397 13.978 -4.403 1.00 43.22 H new ATOM 0 HA TRP A 653 -2.012 15.583 -4.939 1.00 64.34 H new ATOM 0 HB2 TRP A 653 -1.108 13.075 -6.430 1.00 63.24 H new ATOM 0 HB3 TRP A 653 -2.666 13.855 -6.616 1.00 63.24 H new ATOM 0 HD1 TRP A 653 -2.800 15.965 -8.221 1.00 64.14 H new ATOM 0 HE1 TRP A 653 -1.162 17.095 -9.868 1.00 1.31 H new ATOM 0 HE3 TRP A 653 1.504 13.618 -6.752 1.00 71.23 H new ATOM 0 HZ2 TRP A 653 1.603 16.954 -10.450 1.00 72.11 H new ATOM 0 HZ3 TRP A 653 3.602 14.158 -7.892 1.00 11.43 H new ATOM 0 HH2 TRP A 653 3.656 15.798 -9.727 1.00 51.42 H new ATOM 1065 N ASN A 654 -3.393 13.825 -3.726 1.00 14.32 N ATOM 1066 CA ASN A 654 -4.116 12.991 -2.769 1.00 44.00 C ATOM 1067 C ASN A 654 -4.792 11.869 -3.506 1.00 24.45 C ATOM 1068 O ASN A 654 -5.558 12.100 -4.436 1.00 3.44 O ATOM 1069 CB ASN A 654 -5.156 13.842 -2.025 1.00 2.34 C ATOM 1070 CG ASN A 654 -6.045 13.089 -1.068 1.00 22.15 C ATOM 1071 OD1 ASN A 654 -5.715 12.016 -0.588 1.00 42.11 O ATOM 1072 ND2 ASN A 654 -7.158 13.688 -0.733 1.00 73.11 N ATOM 0 H ASN A 654 -3.967 14.540 -4.172 1.00 14.32 H new ATOM 0 HA ASN A 654 -3.420 12.574 -2.041 1.00 44.00 H new ATOM 0 HB2 ASN A 654 -4.633 14.622 -1.471 1.00 2.34 H new ATOM 0 HB3 ASN A 654 -5.785 14.342 -2.762 1.00 2.34 H new ATOM 0 HD21 ASN A 654 -7.782 13.259 -0.050 1.00 73.11 H new ATOM 0 HD22 ASN A 654 -7.402 14.584 -1.155 1.00 73.11 H new ATOM 1078 N LEU A 655 -4.506 10.667 -3.100 1.00 14.30 N ATOM 1079 CA LEU A 655 -4.991 9.501 -3.793 1.00 32.24 C ATOM 1080 C LEU A 655 -5.991 8.746 -2.943 1.00 64.52 C ATOM 1081 O LEU A 655 -6.313 7.585 -3.215 1.00 0.03 O ATOM 1082 CB LEU A 655 -3.817 8.603 -4.146 1.00 10.44 C ATOM 1083 CG LEU A 655 -2.702 9.242 -4.963 1.00 64.22 C ATOM 1084 CD1 LEU A 655 -1.626 8.219 -5.283 1.00 25.22 C ATOM 1085 CD2 LEU A 655 -3.256 9.874 -6.229 1.00 64.14 C ATOM 0 H LEU A 655 -3.932 10.463 -2.282 1.00 14.30 H new ATOM 0 HA LEU A 655 -5.497 9.817 -4.706 1.00 32.24 H new ATOM 0 HB2 LEU A 655 -3.387 8.221 -3.220 1.00 10.44 H new ATOM 0 HB3 LEU A 655 -4.197 7.744 -4.699 1.00 10.44 H new ATOM 0 HG LEU A 655 -2.247 10.035 -4.369 1.00 64.22 H new ATOM 0 HD11 LEU A 655 -0.837 8.692 -5.867 1.00 25.22 H new ATOM 0 HD12 LEU A 655 -1.207 7.829 -4.355 1.00 25.22 H new ATOM 0 HD13 LEU A 655 -2.061 7.401 -5.856 1.00 25.22 H new ATOM 0 HD21 LEU A 655 -2.442 10.324 -6.797 1.00 64.14 H new ATOM 0 HD22 LEU A 655 -3.742 9.109 -6.835 1.00 64.14 H new ATOM 0 HD23 LEU A 655 -3.982 10.642 -5.964 1.00 64.14 H new ATOM 1093 N GLY A 656 -6.471 9.390 -1.917 1.00 33.43 N ATOM 1094 CA GLY A 656 -7.458 8.781 -1.100 1.00 21.23 C ATOM 1095 C GLY A 656 -7.434 9.304 0.294 1.00 72.42 C ATOM 1096 O GLY A 656 -6.379 9.319 0.942 1.00 73.20 O ATOM 0 H GLY A 656 -6.192 10.330 -1.635 1.00 33.43 H new ATOM 0 HA2 GLY A 656 -8.443 8.953 -1.534 1.00 21.23 H new ATOM 0 HA3 GLY A 656 -7.300 7.703 -1.085 1.00 21.23 H new ATOM 1100 N ARG A 657 -8.589 9.744 0.776 1.00 50.41 N ATOM 1101 CA ARG A 657 -8.700 10.237 2.121 1.00 21.40 C ATOM 1102 C ARG A 657 -8.550 9.056 3.084 1.00 34.44 C ATOM 1103 O ARG A 657 -8.555 7.908 2.643 1.00 20.32 O ATOM 1104 CB ARG A 657 -10.066 10.918 2.355 1.00 35.32 C ATOM 1105 CG ARG A 657 -10.483 11.918 1.284 1.00 52.43 C ATOM 1106 CD ARG A 657 -11.779 12.643 1.659 1.00 1.03 C ATOM 1107 NE ARG A 657 -12.351 13.345 0.504 1.00 10.34 N ATOM 1108 CZ ARG A 657 -12.731 14.621 0.438 1.00 43.13 C ATOM 1109 NH1 ARG A 657 -12.612 15.424 1.490 1.00 21.41 N ATOM 1110 NH2 ARG A 657 -13.251 15.077 -0.691 1.00 20.52 N ATOM 0 H ARG A 657 -9.459 9.765 0.244 1.00 50.41 H new ATOM 0 HA ARG A 657 -7.919 10.978 2.292 1.00 21.40 H new ATOM 0 HB2 ARG A 657 -10.832 10.146 2.426 1.00 35.32 H new ATOM 0 HB3 ARG A 657 -10.039 11.430 3.317 1.00 35.32 H new ATOM 0 HG2 ARG A 657 -9.687 12.648 1.138 1.00 52.43 H new ATOM 0 HG3 ARG A 657 -10.618 11.399 0.335 1.00 52.43 H new ATOM 0 HD2 ARG A 657 -12.502 11.924 2.045 1.00 1.03 H new ATOM 0 HD3 ARG A 657 -11.581 13.356 2.459 1.00 1.03 H new ATOM 0 HE ARG A 657 -12.472 12.793 -0.345 1.00 10.34 H new ATOM 0 HH11 ARG A 657 -12.225 15.066 2.363 1.00 21.41 H new ATOM 0 HH12 ARG A 657 -12.907 16.398 1.424 1.00 21.41 H new ATOM 0 HH21 ARG A 657 -13.355 14.455 -1.492 1.00 20.52 H new ATOM 0 HH22 ARG A 657 -13.547 16.051 -0.759 1.00 20.52 H new ATOM 1122 N SER A 658 -8.456 9.343 4.359 1.00 31.42 N ATOM 1123 CA SER A 658 -8.303 8.323 5.402 1.00 23.24 C ATOM 1124 C SER A 658 -9.425 7.304 5.315 1.00 23.54 C ATOM 1125 O SER A 658 -10.603 7.667 5.146 1.00 43.31 O ATOM 1126 CB SER A 658 -8.384 9.016 6.758 1.00 43.51 C ATOM 1127 OG SER A 658 -8.260 8.118 7.855 1.00 31.12 O ATOM 0 H SER A 658 -8.482 10.297 4.720 1.00 31.42 H new ATOM 0 HA SER A 658 -7.348 7.813 5.273 1.00 23.24 H new ATOM 0 HB2 SER A 658 -7.598 9.768 6.822 1.00 43.51 H new ATOM 0 HB3 SER A 658 -9.335 9.542 6.833 1.00 43.51 H new ATOM 0 HG SER A 658 -8.318 8.618 8.696 1.00 31.12 H new ATOM 1133 N ASN A 659 -9.063 6.046 5.410 1.00 41.32 N ATOM 1134 CA ASN A 659 -10.019 4.974 5.334 1.00 34.43 C ATOM 1135 C ASN A 659 -9.384 3.685 5.854 1.00 53.44 C ATOM 1136 O ASN A 659 -8.182 3.547 5.818 1.00 62.10 O ATOM 1137 CB ASN A 659 -10.463 4.784 3.891 1.00 24.32 C ATOM 1138 CG ASN A 659 -11.539 3.754 3.751 1.00 32.13 C ATOM 1139 OD1 ASN A 659 -12.354 3.565 4.646 1.00 63.02 O ATOM 1140 ND2 ASN A 659 -11.530 3.065 2.665 1.00 53.15 N ATOM 0 H ASN A 659 -8.099 5.741 5.542 1.00 41.32 H new ATOM 0 HA ASN A 659 -10.887 5.220 5.945 1.00 34.43 H new ATOM 0 HB2 ASN A 659 -10.822 5.735 3.497 1.00 24.32 H new ATOM 0 HB3 ASN A 659 -9.605 4.492 3.286 1.00 24.32 H new ATOM 0 HD21 ASN A 659 -12.220 2.327 2.523 1.00 53.15 H new ATOM 0 HD22 ASN A 659 -10.833 3.256 1.945 1.00 53.15 H new ATOM 1146 N ALA A 660 -10.182 2.758 6.348 1.00 2.21 N ATOM 1147 CA ALA A 660 -9.656 1.488 6.834 1.00 62.14 C ATOM 1148 C ALA A 660 -10.532 0.333 6.382 1.00 21.43 C ATOM 1149 O ALA A 660 -10.492 -0.739 6.972 1.00 63.30 O ATOM 1150 CB ALA A 660 -9.545 1.500 8.357 1.00 60.43 C ATOM 0 H ALA A 660 -11.194 2.856 6.425 1.00 2.21 H new ATOM 0 HA ALA A 660 -8.660 1.352 6.412 1.00 62.14 H new ATOM 0 HB1 ALA A 660 -9.151 0.544 8.701 1.00 60.43 H new ATOM 0 HB2 ALA A 660 -8.874 2.301 8.667 1.00 60.43 H new ATOM 0 HB3 ALA A 660 -10.531 1.663 8.792 1.00 60.43 H new ATOM 1156 N LYS A 661 -11.294 0.538 5.316 1.00 22.32 N ATOM 1157 CA LYS A 661 -12.179 -0.514 4.813 1.00 43.12 C ATOM 1158 C LYS A 661 -11.416 -1.404 3.840 1.00 54.14 C ATOM 1159 O LYS A 661 -10.960 -0.940 2.785 1.00 34.12 O ATOM 1160 CB LYS A 661 -13.381 0.073 4.062 1.00 43.31 C ATOM 1161 CG LYS A 661 -14.136 1.162 4.769 1.00 23.33 C ATOM 1162 CD LYS A 661 -14.667 0.734 6.102 1.00 23.14 C ATOM 1163 CE LYS A 661 -15.519 1.832 6.677 1.00 10.54 C ATOM 1164 NZ LYS A 661 -14.762 3.094 6.891 1.00 72.43 N ATOM 0 H LYS A 661 -11.321 1.409 4.786 1.00 22.32 H new ATOM 0 HA LYS A 661 -12.532 -1.081 5.674 1.00 43.12 H new ATOM 0 HB2 LYS A 661 -13.031 0.463 3.106 1.00 43.31 H new ATOM 0 HB3 LYS A 661 -14.076 -0.737 3.840 1.00 43.31 H new ATOM 0 HG2 LYS A 661 -13.481 2.022 4.904 1.00 23.33 H new ATOM 0 HG3 LYS A 661 -14.965 1.488 4.141 1.00 23.33 H new ATOM 0 HD2 LYS A 661 -15.254 -0.179 5.996 1.00 23.14 H new ATOM 0 HD3 LYS A 661 -13.843 0.507 6.778 1.00 23.14 H new ATOM 0 HE2 LYS A 661 -16.357 2.025 6.007 1.00 10.54 H new ATOM 0 HE3 LYS A 661 -15.940 1.500 7.626 1.00 10.54 H new ATOM 0 HZ1 LYS A 661 -15.316 3.732 7.497 1.00 72.43 H new ATOM 0 HZ2 LYS A 661 -13.854 2.880 7.351 1.00 72.43 H new ATOM 0 HZ3 LYS A 661 -14.586 3.553 5.974 1.00 72.43 H new ATOM 1178 N LEU A 662 -11.266 -2.651 4.188 1.00 60.14 N ATOM 1179 CA LEU A 662 -10.612 -3.609 3.315 1.00 31.12 C ATOM 1180 C LEU A 662 -11.651 -4.464 2.632 1.00 40.20 C ATOM 1181 O LEU A 662 -12.730 -4.642 3.145 1.00 14.53 O ATOM 1182 CB LEU A 662 -9.592 -4.502 4.064 1.00 5.45 C ATOM 1183 CG LEU A 662 -8.274 -3.848 4.537 1.00 74.01 C ATOM 1184 CD1 LEU A 662 -8.481 -2.779 5.584 1.00 71.40 C ATOM 1185 CD2 LEU A 662 -7.304 -4.896 5.021 1.00 34.15 C ATOM 0 H LEU A 662 -11.587 -3.038 5.075 1.00 60.14 H new ATOM 0 HA LEU A 662 -10.049 -3.042 2.574 1.00 31.12 H new ATOM 0 HB2 LEU A 662 -10.091 -4.920 4.938 1.00 5.45 H new ATOM 0 HB3 LEU A 662 -9.336 -5.338 3.413 1.00 5.45 H new ATOM 0 HG LEU A 662 -7.849 -3.345 3.669 1.00 74.01 H new ATOM 0 HD11 LEU A 662 -7.517 -2.361 5.873 1.00 71.40 H new ATOM 0 HD12 LEU A 662 -9.112 -1.989 5.177 1.00 71.40 H new ATOM 0 HD13 LEU A 662 -8.964 -3.215 6.459 1.00 71.40 H new ATOM 0 HD21 LEU A 662 -6.383 -4.415 5.349 1.00 34.15 H new ATOM 0 HD22 LEU A 662 -7.745 -5.443 5.854 1.00 34.15 H new ATOM 0 HD23 LEU A 662 -7.082 -5.589 4.209 1.00 34.15 H new ATOM 1193 N SER A 663 -11.352 -4.957 1.479 1.00 31.44 N ATOM 1194 CA SER A 663 -12.265 -5.814 0.777 1.00 20.43 C ATOM 1195 C SER A 663 -11.548 -7.074 0.344 1.00 32.32 C ATOM 1196 O SER A 663 -10.345 -7.061 0.097 1.00 22.44 O ATOM 1197 CB SER A 663 -12.857 -5.078 -0.428 1.00 31.32 C ATOM 1198 OG SER A 663 -13.482 -3.872 0.000 1.00 44.53 O ATOM 0 H SER A 663 -10.473 -4.783 0.992 1.00 31.44 H new ATOM 0 HA SER A 663 -13.085 -6.092 1.439 1.00 20.43 H new ATOM 0 HB2 SER A 663 -12.072 -4.854 -1.150 1.00 31.32 H new ATOM 0 HB3 SER A 663 -13.583 -5.715 -0.933 1.00 31.32 H new ATOM 0 HG SER A 663 -13.857 -3.405 -0.776 1.00 44.53 H new ATOM 1204 N TYR A 664 -12.255 -8.152 0.266 1.00 50.45 N ATOM 1205 CA TYR A 664 -11.641 -9.374 -0.142 1.00 5.24 C ATOM 1206 C TYR A 664 -12.253 -9.740 -1.468 1.00 23.34 C ATOM 1207 O TYR A 664 -13.479 -9.714 -1.624 1.00 75.32 O ATOM 1208 CB TYR A 664 -11.896 -10.498 0.884 1.00 72.42 C ATOM 1209 CG TYR A 664 -10.899 -11.646 0.853 1.00 12.44 C ATOM 1210 CD1 TYR A 664 -10.644 -12.351 -0.307 1.00 3.15 C ATOM 1211 CD2 TYR A 664 -10.219 -12.019 2.003 1.00 33.11 C ATOM 1212 CE1 TYR A 664 -9.739 -13.386 -0.334 1.00 35.03 C ATOM 1213 CE2 TYR A 664 -9.311 -13.059 1.981 1.00 35.23 C ATOM 1214 CZ TYR A 664 -9.074 -13.737 0.807 1.00 31.25 C ATOM 1215 OH TYR A 664 -8.161 -14.772 0.776 1.00 35.10 O ATOM 0 H TYR A 664 -13.251 -8.214 0.477 1.00 50.45 H new ATOM 0 HA TYR A 664 -10.561 -9.250 -0.218 1.00 5.24 H new ATOM 0 HB2 TYR A 664 -11.893 -10.063 1.883 1.00 72.42 H new ATOM 0 HB3 TYR A 664 -12.895 -10.901 0.715 1.00 72.42 H new ATOM 0 HD1 TYR A 664 -11.167 -12.083 -1.213 1.00 3.15 H new ATOM 0 HD2 TYR A 664 -10.402 -11.490 2.926 1.00 33.11 H new ATOM 0 HE1 TYR A 664 -9.554 -13.920 -1.254 1.00 35.03 H new ATOM 0 HE2 TYR A 664 -8.788 -13.340 2.883 1.00 35.23 H new ATOM 0 HH TYR A 664 -7.775 -14.894 1.668 1.00 35.10 H new ATOM 1225 N TYR A 665 -11.410 -10.016 -2.397 1.00 71.32 N ATOM 1226 CA TYR A 665 -11.769 -10.407 -3.720 1.00 31.51 C ATOM 1227 C TYR A 665 -11.258 -11.790 -3.916 1.00 33.33 C ATOM 1228 O TYR A 665 -10.222 -12.115 -3.364 1.00 70.14 O ATOM 1229 CB TYR A 665 -11.146 -9.458 -4.729 1.00 53.01 C ATOM 1230 CG TYR A 665 -11.732 -8.091 -4.627 1.00 1.35 C ATOM 1231 CD1 TYR A 665 -12.891 -7.791 -5.296 1.00 60.24 C ATOM 1232 CD2 TYR A 665 -11.150 -7.113 -3.849 1.00 24.31 C ATOM 1233 CE1 TYR A 665 -13.459 -6.555 -5.205 1.00 4.52 C ATOM 1234 CE2 TYR A 665 -11.713 -5.864 -3.749 1.00 72.23 C ATOM 1235 CZ TYR A 665 -12.869 -5.586 -4.430 1.00 3.05 C ATOM 1236 OH TYR A 665 -13.436 -4.337 -4.335 1.00 10.02 O ATOM 0 H TYR A 665 -10.401 -9.974 -2.252 1.00 71.32 H new ATOM 0 HA TYR A 665 -12.849 -10.374 -3.862 1.00 31.51 H new ATOM 0 HB2 TYR A 665 -10.070 -9.407 -4.565 1.00 53.01 H new ATOM 0 HB3 TYR A 665 -11.297 -9.846 -5.736 1.00 53.01 H new ATOM 0 HD1 TYR A 665 -13.362 -8.548 -5.906 1.00 60.24 H new ATOM 0 HD2 TYR A 665 -10.239 -7.332 -3.311 1.00 24.31 H new ATOM 0 HE1 TYR A 665 -14.371 -6.338 -5.741 1.00 4.52 H new ATOM 0 HE2 TYR A 665 -11.247 -5.106 -3.137 1.00 72.23 H new ATOM 0 HH TYR A 665 -12.891 -3.774 -3.746 1.00 10.02 H new ATOM 1246 N ASP A 666 -11.986 -12.626 -4.610 1.00 62.32 N ATOM 1247 CA ASP A 666 -11.549 -14.012 -4.814 1.00 24.31 C ATOM 1248 C ASP A 666 -10.088 -14.067 -5.269 1.00 1.31 C ATOM 1249 O ASP A 666 -9.725 -13.536 -6.325 1.00 5.31 O ATOM 1250 CB ASP A 666 -12.453 -14.709 -5.833 1.00 34.12 C ATOM 1251 CG ASP A 666 -11.969 -16.092 -6.191 1.00 74.23 C ATOM 1252 OD1 ASP A 666 -12.124 -17.024 -5.366 1.00 15.24 O ATOM 1253 OD2 ASP A 666 -11.420 -16.273 -7.301 1.00 13.02 O ATOM 0 H ASP A 666 -12.877 -12.390 -5.046 1.00 62.32 H new ATOM 0 HA ASP A 666 -11.625 -14.536 -3.861 1.00 24.31 H new ATOM 0 HB2 ASP A 666 -13.464 -14.775 -5.430 1.00 34.12 H new ATOM 0 HB3 ASP A 666 -12.509 -14.103 -6.737 1.00 34.12 H new ATOM 1258 N GLY A 667 -9.264 -14.700 -4.454 1.00 41.21 N ATOM 1259 CA GLY A 667 -7.863 -14.783 -4.736 1.00 75.31 C ATOM 1260 C GLY A 667 -6.998 -13.908 -3.813 1.00 52.31 C ATOM 1261 O GLY A 667 -5.984 -14.378 -3.285 1.00 43.35 O ATOM 0 H GLY A 667 -9.553 -15.162 -3.592 1.00 41.21 H new ATOM 0 HA2 GLY A 667 -7.543 -15.821 -4.644 1.00 75.31 H new ATOM 0 HA3 GLY A 667 -7.691 -14.487 -5.771 1.00 75.31 H new ATOM 1265 N MET A 668 -7.399 -12.655 -3.583 1.00 14.33 N ATOM 1266 CA MET A 668 -6.563 -11.726 -2.803 1.00 31.14 C ATOM 1267 C MET A 668 -7.361 -10.608 -2.129 1.00 31.51 C ATOM 1268 O MET A 668 -8.505 -10.336 -2.461 1.00 43.24 O ATOM 1269 CB MET A 668 -5.444 -11.092 -3.660 1.00 12.32 C ATOM 1270 CG MET A 668 -5.920 -10.222 -4.835 1.00 30.24 C ATOM 1271 SD MET A 668 -6.834 -11.133 -6.107 1.00 22.33 S ATOM 1272 CE MET A 668 -7.241 -9.819 -7.250 1.00 11.22 C ATOM 0 H MET A 668 -8.279 -12.262 -3.916 1.00 14.33 H new ATOM 0 HA MET A 668 -6.120 -12.345 -2.023 1.00 31.14 H new ATOM 0 HB2 MET A 668 -4.815 -10.482 -3.011 1.00 12.32 H new ATOM 0 HB3 MET A 668 -4.816 -11.891 -4.054 1.00 12.32 H new ATOM 0 HG2 MET A 668 -6.554 -9.424 -4.449 1.00 30.24 H new ATOM 0 HG3 MET A 668 -5.054 -9.747 -5.295 1.00 30.24 H new ATOM 0 HE1 MET A 668 -7.806 -10.228 -8.088 1.00 11.22 H new ATOM 0 HE2 MET A 668 -7.842 -9.066 -6.740 1.00 11.22 H new ATOM 0 HE3 MET A 668 -6.323 -9.361 -7.620 1.00 11.22 H new ATOM 1282 N ILE A 669 -6.721 -9.951 -1.210 1.00 13.44 N ATOM 1283 CA ILE A 669 -7.322 -8.876 -0.463 1.00 4.01 C ATOM 1284 C ILE A 669 -6.961 -7.557 -1.133 1.00 61.50 C ATOM 1285 O ILE A 669 -5.841 -7.393 -1.602 1.00 30.31 O ATOM 1286 CB ILE A 669 -6.792 -8.862 0.993 1.00 22.23 C ATOM 1287 CG1 ILE A 669 -7.018 -10.225 1.656 1.00 63.32 C ATOM 1288 CG2 ILE A 669 -7.469 -7.756 1.805 1.00 40.03 C ATOM 1289 CD1 ILE A 669 -6.401 -10.347 3.030 1.00 42.21 C ATOM 0 H ILE A 669 -5.754 -10.145 -0.951 1.00 13.44 H new ATOM 0 HA ILE A 669 -8.403 -9.016 -0.442 1.00 4.01 H new ATOM 0 HB ILE A 669 -5.721 -8.660 0.966 1.00 22.23 H new ATOM 0 HG12 ILE A 669 -8.090 -10.408 1.732 1.00 63.32 H new ATOM 0 HG13 ILE A 669 -6.607 -11.003 1.013 1.00 63.32 H new ATOM 0 HG21 ILE A 669 -7.082 -7.764 2.824 1.00 40.03 H new ATOM 0 HG22 ILE A 669 -7.262 -6.789 1.346 1.00 40.03 H new ATOM 0 HG23 ILE A 669 -8.546 -7.926 1.824 1.00 40.03 H new ATOM 0 HD11 ILE A 669 -6.604 -11.339 3.433 1.00 42.21 H new ATOM 0 HD12 ILE A 669 -5.324 -10.197 2.960 1.00 42.21 H new ATOM 0 HD13 ILE A 669 -6.830 -9.593 3.690 1.00 42.21 H new ATOM 1296 N GLN A 670 -7.894 -6.655 -1.218 1.00 51.31 N ATOM 1297 CA GLN A 670 -7.639 -5.351 -1.778 1.00 12.04 C ATOM 1298 C GLN A 670 -8.228 -4.291 -0.878 1.00 43.21 C ATOM 1299 O GLN A 670 -9.260 -4.505 -0.251 1.00 33.34 O ATOM 1300 CB GLN A 670 -8.163 -5.212 -3.225 1.00 5.44 C ATOM 1301 CG GLN A 670 -7.446 -6.106 -4.248 1.00 54.12 C ATOM 1302 CD GLN A 670 -7.935 -5.953 -5.675 1.00 22.41 C ATOM 1303 OE1 GLN A 670 -7.171 -6.149 -6.616 1.00 51.51 O ATOM 1304 NE2 GLN A 670 -9.175 -5.589 -5.853 1.00 53.12 N ATOM 0 H GLN A 670 -8.854 -6.797 -0.903 1.00 51.31 H new ATOM 0 HA GLN A 670 -6.559 -5.217 -1.835 1.00 12.04 H new ATOM 0 HB2 GLN A 670 -9.227 -5.448 -3.237 1.00 5.44 H new ATOM 0 HB3 GLN A 670 -8.063 -4.172 -3.536 1.00 5.44 H new ATOM 0 HG2 GLN A 670 -6.379 -5.885 -4.218 1.00 54.12 H new ATOM 0 HG3 GLN A 670 -7.565 -7.147 -3.947 1.00 54.12 H new ATOM 0 HE21 GLN A 670 -9.782 -5.435 -5.048 1.00 53.12 H new ATOM 0 HE22 GLN A 670 -9.538 -5.459 -6.797 1.00 53.12 H new ATOM 1312 N LEU A 671 -7.586 -3.172 -0.796 1.00 60.43 N ATOM 1313 CA LEU A 671 -8.060 -2.110 0.046 1.00 20.13 C ATOM 1314 C LEU A 671 -8.348 -0.929 -0.856 1.00 43.34 C ATOM 1315 O LEU A 671 -7.469 -0.479 -1.606 1.00 4.01 O ATOM 1316 CB LEU A 671 -6.970 -1.772 1.113 1.00 2.35 C ATOM 1317 CG LEU A 671 -7.353 -0.887 2.341 1.00 44.33 C ATOM 1318 CD1 LEU A 671 -6.160 -0.744 3.274 1.00 33.23 C ATOM 1319 CD2 LEU A 671 -7.853 0.492 1.945 1.00 54.34 C ATOM 0 H LEU A 671 -6.726 -2.964 -1.303 1.00 60.43 H new ATOM 0 HA LEU A 671 -8.965 -2.388 0.586 1.00 20.13 H new ATOM 0 HB2 LEU A 671 -6.583 -2.716 1.497 1.00 2.35 H new ATOM 0 HB3 LEU A 671 -6.148 -1.277 0.596 1.00 2.35 H new ATOM 0 HG LEU A 671 -8.173 -1.396 2.849 1.00 44.33 H new ATOM 0 HD11 LEU A 671 -6.437 -0.125 4.127 1.00 33.23 H new ATOM 0 HD12 LEU A 671 -5.853 -1.729 3.625 1.00 33.23 H new ATOM 0 HD13 LEU A 671 -5.334 -0.275 2.739 1.00 33.23 H new ATOM 0 HD21 LEU A 671 -8.103 1.060 2.841 1.00 54.34 H new ATOM 0 HD22 LEU A 671 -7.075 1.015 1.389 1.00 54.34 H new ATOM 0 HD23 LEU A 671 -8.740 0.392 1.320 1.00 54.34 H new ATOM 1327 N THR A 672 -9.557 -0.453 -0.792 1.00 51.31 N ATOM 1328 CA THR A 672 -10.003 0.635 -1.611 1.00 60.10 C ATOM 1329 C THR A 672 -10.029 1.916 -0.773 1.00 20.12 C ATOM 1330 O THR A 672 -10.665 1.952 0.277 1.00 74.40 O ATOM 1331 CB THR A 672 -11.442 0.343 -2.111 1.00 52.40 C ATOM 1332 OG1 THR A 672 -11.499 -0.974 -2.700 1.00 2.31 O ATOM 1333 CG2 THR A 672 -11.880 1.377 -3.146 1.00 74.51 C ATOM 0 H THR A 672 -10.271 -0.815 -0.160 1.00 51.31 H new ATOM 0 HA THR A 672 -9.329 0.753 -2.459 1.00 60.10 H new ATOM 0 HB THR A 672 -12.116 0.395 -1.256 1.00 52.40 H new ATOM 0 HG1 THR A 672 -12.410 -1.153 -3.012 1.00 2.31 H new ATOM 0 HG21 THR A 672 -12.892 1.150 -3.481 1.00 74.51 H new ATOM 0 HG22 THR A 672 -11.860 2.371 -2.699 1.00 74.51 H new ATOM 0 HG23 THR A 672 -11.201 1.349 -3.998 1.00 74.51 H new ATOM 1339 N TYR A 673 -9.355 2.949 -1.224 1.00 73.33 N ATOM 1340 CA TYR A 673 -9.378 4.211 -0.519 1.00 41.03 C ATOM 1341 C TYR A 673 -10.428 5.153 -1.056 1.00 70.15 C ATOM 1342 O TYR A 673 -11.193 4.804 -1.960 1.00 20.34 O ATOM 1343 CB TYR A 673 -7.999 4.879 -0.441 1.00 42.33 C ATOM 1344 CG TYR A 673 -7.225 4.508 0.802 1.00 14.02 C ATOM 1345 CD1 TYR A 673 -7.459 5.196 1.977 1.00 22.11 C ATOM 1346 CD2 TYR A 673 -6.289 3.488 0.818 1.00 2.20 C ATOM 1347 CE1 TYR A 673 -6.805 4.889 3.143 1.00 32.53 C ATOM 1348 CE2 TYR A 673 -5.610 3.168 1.990 1.00 50.22 C ATOM 1349 CZ TYR A 673 -5.881 3.878 3.151 1.00 51.32 C ATOM 1350 OH TYR A 673 -5.246 3.560 4.323 1.00 65.23 O ATOM 0 H TYR A 673 -8.787 2.942 -2.071 1.00 73.33 H new ATOM 0 HA TYR A 673 -9.661 3.970 0.506 1.00 41.03 H new ATOM 0 HB2 TYR A 673 -7.417 4.600 -1.320 1.00 42.33 H new ATOM 0 HB3 TYR A 673 -8.125 5.961 -0.473 1.00 42.33 H new ATOM 0 HD1 TYR A 673 -8.179 6.001 1.977 1.00 22.11 H new ATOM 0 HD2 TYR A 673 -6.084 2.936 -0.087 1.00 2.20 H new ATOM 0 HE1 TYR A 673 -7.017 5.440 4.047 1.00 32.53 H new ATOM 0 HE2 TYR A 673 -4.878 2.374 1.996 1.00 50.22 H new ATOM 0 HH TYR A 673 -4.276 3.576 4.184 1.00 65.23 H new ATOM 1360 N ARG A 674 -10.482 6.326 -0.472 1.00 63.32 N ATOM 1361 CA ARG A 674 -11.509 7.298 -0.780 1.00 2.20 C ATOM 1362 C ARG A 674 -11.182 8.126 -2.001 1.00 4.12 C ATOM 1363 O ARG A 674 -10.121 7.984 -2.593 1.00 51.12 O ATOM 1364 CB ARG A 674 -11.765 8.204 0.413 1.00 13.22 C ATOM 1365 CG ARG A 674 -12.170 7.457 1.679 1.00 1.25 C ATOM 1366 CD ARG A 674 -13.445 6.643 1.483 1.00 5.03 C ATOM 1367 NE ARG A 674 -14.573 7.497 1.150 1.00 11.33 N ATOM 1368 CZ ARG A 674 -15.802 7.077 0.873 1.00 2.00 C ATOM 1369 NH1 ARG A 674 -16.100 5.785 0.895 1.00 34.34 N ATOM 1370 NH2 ARG A 674 -16.739 7.956 0.581 1.00 42.32 N ATOM 0 H ARG A 674 -9.813 6.636 0.233 1.00 63.32 H new ATOM 0 HA ARG A 674 -12.414 6.734 -1.007 1.00 2.20 H new ATOM 0 HB2 ARG A 674 -10.865 8.783 0.617 1.00 13.22 H new ATOM 0 HB3 ARG A 674 -12.550 8.915 0.155 1.00 13.22 H new ATOM 0 HG2 ARG A 674 -11.360 6.794 1.982 1.00 1.25 H new ATOM 0 HG3 ARG A 674 -12.318 8.171 2.489 1.00 1.25 H new ATOM 0 HD2 ARG A 674 -13.293 5.912 0.689 1.00 5.03 H new ATOM 0 HD3 ARG A 674 -13.665 6.085 2.393 1.00 5.03 H new ATOM 0 HE ARG A 674 -14.407 8.503 1.127 1.00 11.33 H new ATOM 0 HH11 ARG A 674 -15.381 5.100 1.127 1.00 34.34 H new ATOM 0 HH12 ARG A 674 -17.048 5.477 0.680 1.00 34.34 H new ATOM 0 HH21 ARG A 674 -16.518 8.952 0.569 1.00 42.32 H new ATOM 0 HH22 ARG A 674 -17.685 7.641 0.367 1.00 42.32 H new ATOM 1382 N ASP A 675 -12.116 8.996 -2.332 1.00 12.02 N ATOM 1383 CA ASP A 675 -12.087 9.874 -3.505 1.00 42.45 C ATOM 1384 C ASP A 675 -10.787 10.698 -3.605 1.00 1.03 C ATOM 1385 O ASP A 675 -10.249 10.879 -4.687 1.00 63.12 O ATOM 1386 CB ASP A 675 -13.314 10.825 -3.447 1.00 12.23 C ATOM 1387 CG ASP A 675 -13.255 11.831 -2.311 1.00 62.34 C ATOM 1388 OD1 ASP A 675 -13.113 11.415 -1.150 1.00 71.34 O ATOM 1389 OD2 ASP A 675 -13.361 13.051 -2.564 1.00 44.42 O ATOM 0 H ASP A 675 -12.958 9.122 -1.770 1.00 12.02 H new ATOM 0 HA ASP A 675 -12.125 9.244 -4.394 1.00 42.45 H new ATOM 0 HB2 ASP A 675 -13.391 11.362 -4.392 1.00 12.23 H new ATOM 0 HB3 ASP A 675 -14.220 10.228 -3.345 1.00 12.23 H new ATOM 1394 N GLY A 676 -10.300 11.176 -2.479 1.00 74.33 N ATOM 1395 CA GLY A 676 -9.053 11.922 -2.460 1.00 60.43 C ATOM 1396 C GLY A 676 -9.077 13.170 -3.343 1.00 32.31 C ATOM 1397 O GLY A 676 -9.960 14.024 -3.208 1.00 21.24 O ATOM 0 H GLY A 676 -10.744 11.064 -1.568 1.00 74.33 H new ATOM 0 HA2 GLY A 676 -8.830 12.216 -1.434 1.00 60.43 H new ATOM 0 HA3 GLY A 676 -8.243 11.270 -2.788 1.00 60.43 H new ATOM 1401 N THR A 677 -8.108 13.284 -4.216 1.00 70.02 N ATOM 1402 CA THR A 677 -8.031 14.375 -5.140 1.00 50.33 C ATOM 1403 C THR A 677 -8.477 13.914 -6.535 1.00 44.52 C ATOM 1404 O THR A 677 -8.069 12.845 -6.997 1.00 3.43 O ATOM 1405 CB THR A 677 -6.586 14.952 -5.206 1.00 13.32 C ATOM 1406 OG1 THR A 677 -6.289 15.616 -3.984 1.00 71.34 O ATOM 1407 CG2 THR A 677 -6.372 15.916 -6.365 1.00 41.42 C ATOM 0 H THR A 677 -7.345 12.612 -4.302 1.00 70.02 H new ATOM 0 HA THR A 677 -8.697 15.164 -4.791 1.00 50.33 H new ATOM 0 HB THR A 677 -5.916 14.107 -5.369 1.00 13.32 H new ATOM 0 HG1 THR A 677 -5.379 15.979 -4.022 1.00 71.34 H new ATOM 0 HG21 THR A 677 -5.345 16.280 -6.351 1.00 41.42 H new ATOM 0 HG22 THR A 677 -6.562 15.401 -7.307 1.00 41.42 H new ATOM 0 HG23 THR A 677 -7.056 16.759 -6.268 1.00 41.42 H new ATOM 1413 N PRO A 678 -9.341 14.680 -7.208 1.00 74.32 N ATOM 1414 CA PRO A 678 -9.765 14.373 -8.552 1.00 4.00 C ATOM 1415 C PRO A 678 -8.677 14.712 -9.557 1.00 65.34 C ATOM 1416 O PRO A 678 -7.816 15.549 -9.269 1.00 5.02 O ATOM 1417 CB PRO A 678 -10.992 15.241 -8.741 1.00 53.33 C ATOM 1418 CG PRO A 678 -10.691 16.440 -7.935 1.00 53.13 C ATOM 1419 CD PRO A 678 -9.985 15.915 -6.713 1.00 14.25 C ATOM 0 HA PRO A 678 -9.975 13.314 -8.705 1.00 4.00 H new ATOM 0 HB2 PRO A 678 -11.149 15.491 -9.790 1.00 53.33 H new ATOM 0 HB3 PRO A 678 -11.896 14.740 -8.394 1.00 53.33 H new ATOM 0 HG2 PRO A 678 -10.062 17.139 -8.486 1.00 53.13 H new ATOM 0 HG3 PRO A 678 -11.602 16.975 -7.666 1.00 53.13 H new ATOM 0 HD2 PRO A 678 -9.253 16.627 -6.332 1.00 14.25 H new ATOM 0 HD3 PRO A 678 -10.682 15.709 -5.901 1.00 14.25 H new ATOM 1427 N TYR A 679 -8.697 14.023 -10.709 1.00 43.14 N ATOM 1428 CA TYR A 679 -7.671 14.187 -11.769 1.00 62.30 C ATOM 1429 C TYR A 679 -7.360 15.669 -11.995 1.00 53.54 C ATOM 1430 O TYR A 679 -6.300 16.149 -11.595 1.00 71.15 O ATOM 1431 CB TYR A 679 -8.113 13.546 -13.106 1.00 3.44 C ATOM 1432 CG TYR A 679 -8.542 12.097 -13.017 1.00 25.50 C ATOM 1433 CD1 TYR A 679 -7.627 11.078 -12.787 1.00 22.34 C ATOM 1434 CD2 TYR A 679 -9.866 11.756 -13.152 1.00 4.31 C ATOM 1435 CE1 TYR A 679 -8.035 9.760 -12.693 1.00 33.44 C ATOM 1436 CE2 TYR A 679 -10.277 10.451 -13.059 1.00 5.22 C ATOM 1437 CZ TYR A 679 -9.363 9.462 -12.829 1.00 74.40 C ATOM 1438 OH TYR A 679 -9.783 8.171 -12.728 1.00 61.12 O ATOM 0 H TYR A 679 -9.418 13.338 -10.938 1.00 43.14 H new ATOM 0 HA TYR A 679 -6.774 13.673 -11.424 1.00 62.30 H new ATOM 0 HB2 TYR A 679 -8.939 14.128 -13.514 1.00 3.44 H new ATOM 0 HB3 TYR A 679 -7.289 13.621 -13.816 1.00 3.44 H new ATOM 0 HD1 TYR A 679 -6.580 11.319 -12.680 1.00 22.34 H new ATOM 0 HD2 TYR A 679 -10.597 12.530 -13.335 1.00 4.31 H new ATOM 0 HE1 TYR A 679 -7.314 8.976 -12.514 1.00 33.44 H new ATOM 0 HE2 TYR A 679 -11.323 10.205 -13.168 1.00 5.22 H new ATOM 0 HH TYR A 679 -10.755 8.133 -12.848 1.00 61.12 H new ATOM 1448 N ASN A 680 -8.292 16.368 -12.622 1.00 12.24 N ATOM 1449 CA ASN A 680 -8.225 17.834 -12.848 1.00 35.23 C ATOM 1450 C ASN A 680 -9.347 18.219 -13.785 1.00 55.53 C ATOM 1451 O ASN A 680 -9.346 19.291 -14.366 1.00 41.23 O ATOM 1452 CB ASN A 680 -6.869 18.286 -13.486 1.00 55.05 C ATOM 1453 CG ASN A 680 -6.644 17.777 -14.910 1.00 71.14 C ATOM 1454 OD1 ASN A 680 -7.047 18.421 -15.877 1.00 61.34 O ATOM 1455 ND2 ASN A 680 -5.977 16.655 -15.054 1.00 53.54 N ATOM 0 H ASN A 680 -9.137 15.941 -13.001 1.00 12.24 H new ATOM 0 HA ASN A 680 -8.312 18.325 -11.879 1.00 35.23 H new ATOM 0 HB2 ASN A 680 -6.828 19.375 -13.491 1.00 55.05 H new ATOM 0 HB3 ASN A 680 -6.050 17.940 -12.855 1.00 55.05 H new ATOM 0 HD21 ASN A 680 -5.780 16.295 -15.988 1.00 53.54 H new ATOM 0 HD22 ASN A 680 -5.656 16.144 -14.232 1.00 53.54 H new ATOM 1461 N ASN A 681 -10.348 17.373 -13.866 1.00 23.21 N ATOM 1462 CA ASN A 681 -11.365 17.518 -14.858 1.00 54.43 C ATOM 1463 C ASN A 681 -12.545 18.281 -14.307 1.00 24.10 C ATOM 1464 O ASN A 681 -12.694 18.404 -13.083 1.00 33.34 O ATOM 1465 CB ASN A 681 -11.784 16.135 -15.397 1.00 20.24 C ATOM 1466 CG ASN A 681 -12.373 15.196 -14.344 1.00 13.52 C ATOM 1467 OD1 ASN A 681 -12.013 15.251 -13.162 1.00 65.34 O ATOM 1468 ND2 ASN A 681 -13.266 14.331 -14.762 1.00 22.41 N ATOM 0 H ASN A 681 -10.472 16.573 -13.246 1.00 23.21 H new ATOM 0 HA ASN A 681 -10.965 18.096 -15.691 1.00 54.43 H new ATOM 0 HB2 ASN A 681 -12.517 16.276 -16.191 1.00 20.24 H new ATOM 0 HB3 ASN A 681 -10.915 15.656 -15.847 1.00 20.24 H new ATOM 0 HD21 ASN A 681 -13.687 13.675 -14.104 1.00 22.41 H new ATOM 0 HD22 ASN A 681 -13.539 14.314 -15.745 1.00 22.41 H new ATOM 1474 N GLU A 682 -13.383 18.778 -15.203 1.00 72.11 N ATOM 1475 CA GLU A 682 -14.551 19.577 -14.854 1.00 1.23 C ATOM 1476 C GLU A 682 -15.529 18.740 -14.050 1.00 35.03 C ATOM 1477 O GLU A 682 -16.248 19.243 -13.185 1.00 42.43 O ATOM 1478 CB GLU A 682 -15.215 20.089 -16.134 1.00 24.42 C ATOM 1479 CG GLU A 682 -16.416 20.986 -15.911 1.00 64.11 C ATOM 1480 CD GLU A 682 -17.055 21.407 -17.204 1.00 64.20 C ATOM 1481 OE1 GLU A 682 -16.636 22.427 -17.784 1.00 71.42 O ATOM 1482 OE2 GLU A 682 -17.993 20.720 -17.669 1.00 15.52 O ATOM 0 H GLU A 682 -13.271 18.637 -16.207 1.00 72.11 H new ATOM 0 HA GLU A 682 -14.243 20.428 -14.246 1.00 1.23 H new ATOM 0 HB2 GLU A 682 -14.474 20.636 -16.717 1.00 24.42 H new ATOM 0 HB3 GLU A 682 -15.525 19.233 -16.734 1.00 24.42 H new ATOM 0 HG2 GLU A 682 -17.150 20.463 -15.298 1.00 64.11 H new ATOM 0 HG3 GLU A 682 -16.108 21.871 -15.354 1.00 64.11 H new ATOM 1489 N LYS A 683 -15.516 17.457 -14.315 1.00 41.24 N ATOM 1490 CA LYS A 683 -16.366 16.524 -13.637 1.00 23.05 C ATOM 1491 C LYS A 683 -15.842 16.240 -12.226 1.00 13.43 C ATOM 1492 O LYS A 683 -16.586 15.729 -11.374 1.00 1.31 O ATOM 1493 CB LYS A 683 -16.477 15.240 -14.460 1.00 14.33 C ATOM 1494 CG LYS A 683 -17.352 14.173 -13.849 1.00 45.30 C ATOM 1495 CD LYS A 683 -17.479 13.002 -14.773 1.00 63.43 C ATOM 1496 CE LYS A 683 -18.291 11.888 -14.143 1.00 2.03 C ATOM 1497 NZ LYS A 683 -18.502 10.765 -15.071 1.00 54.45 N ATOM 0 H LYS A 683 -14.908 17.032 -15.015 1.00 41.24 H new ATOM 0 HA LYS A 683 -17.362 16.955 -13.533 1.00 23.05 H new ATOM 0 HB2 LYS A 683 -16.867 15.490 -15.447 1.00 14.33 H new ATOM 0 HB3 LYS A 683 -15.477 14.831 -14.607 1.00 14.33 H new ATOM 0 HG2 LYS A 683 -16.929 13.849 -12.898 1.00 45.30 H new ATOM 0 HG3 LYS A 683 -18.339 14.583 -13.635 1.00 45.30 H new ATOM 0 HD2 LYS A 683 -17.952 13.319 -15.702 1.00 63.43 H new ATOM 0 HD3 LYS A 683 -16.487 12.631 -15.031 1.00 63.43 H new ATOM 0 HE2 LYS A 683 -17.781 11.529 -13.249 1.00 2.03 H new ATOM 0 HE3 LYS A 683 -19.256 12.280 -13.823 1.00 2.03 H new ATOM 0 HZ1 LYS A 683 -19.062 10.026 -14.600 1.00 54.45 H new ATOM 0 HZ2 LYS A 683 -19.012 11.101 -15.913 1.00 54.45 H new ATOM 0 HZ3 LYS A 683 -17.582 10.373 -15.357 1.00 54.45 H new ATOM 1511 N ARG A 684 -14.553 16.596 -11.970 1.00 32.54 N ATOM 1512 CA ARG A 684 -13.950 16.425 -10.652 1.00 13.32 C ATOM 1513 C ARG A 684 -14.007 14.961 -10.246 1.00 44.13 C ATOM 1514 O ARG A 684 -14.549 14.603 -9.197 1.00 61.32 O ATOM 1515 CB ARG A 684 -14.662 17.328 -9.622 1.00 63.30 C ATOM 1516 CG ARG A 684 -14.535 18.821 -9.907 1.00 4.43 C ATOM 1517 CD ARG A 684 -13.130 19.335 -9.632 1.00 24.35 C ATOM 1518 NE ARG A 684 -12.818 19.253 -8.197 1.00 35.10 N ATOM 1519 CZ ARG A 684 -11.776 19.837 -7.587 1.00 3.25 C ATOM 1520 NH1 ARG A 684 -10.860 20.510 -8.287 1.00 73.24 N ATOM 1521 NH2 ARG A 684 -11.650 19.739 -6.269 1.00 41.24 N ATOM 0 H ARG A 684 -13.928 17.000 -12.667 1.00 32.54 H new ATOM 0 HA ARG A 684 -12.903 16.725 -10.688 1.00 13.32 H new ATOM 0 HB2 ARG A 684 -15.719 17.064 -9.593 1.00 63.30 H new ATOM 0 HB3 ARG A 684 -14.255 17.122 -8.632 1.00 63.30 H new ATOM 0 HG2 ARG A 684 -14.795 19.015 -10.948 1.00 4.43 H new ATOM 0 HG3 ARG A 684 -15.249 19.370 -9.292 1.00 4.43 H new ATOM 0 HD2 ARG A 684 -12.406 18.751 -10.201 1.00 24.35 H new ATOM 0 HD3 ARG A 684 -13.043 20.368 -9.970 1.00 24.35 H new ATOM 0 HE ARG A 684 -13.450 18.704 -7.614 1.00 35.10 H new ATOM 0 HH11 ARG A 684 -10.947 20.586 -9.300 1.00 73.24 H new ATOM 0 HH12 ARG A 684 -10.073 20.949 -7.808 1.00 73.24 H new ATOM 0 HH21 ARG A 684 -12.343 19.222 -5.727 1.00 41.24 H new ATOM 0 HH22 ARG A 684 -10.860 20.180 -5.798 1.00 41.24 H new ATOM 1533 N THR A 685 -13.450 14.133 -11.093 1.00 50.33 N ATOM 1534 CA THR A 685 -13.451 12.721 -10.900 1.00 42.52 C ATOM 1535 C THR A 685 -12.245 12.290 -10.052 1.00 74.41 C ATOM 1536 O THR A 685 -11.088 12.536 -10.422 1.00 30.32 O ATOM 1537 CB THR A 685 -13.444 12.013 -12.248 1.00 51.40 C ATOM 1538 OG1 THR A 685 -14.563 12.480 -13.018 1.00 34.41 O ATOM 1539 CG2 THR A 685 -13.556 10.523 -12.053 1.00 53.12 C ATOM 0 H THR A 685 -12.978 14.434 -11.946 1.00 50.33 H new ATOM 0 HA THR A 685 -14.357 12.440 -10.363 1.00 42.52 H new ATOM 0 HB THR A 685 -12.511 12.229 -12.768 1.00 51.40 H new ATOM 0 HG1 THR A 685 -14.569 12.033 -13.890 1.00 34.41 H new ATOM 0 HG21 THR A 685 -13.550 10.028 -13.024 1.00 53.12 H new ATOM 0 HG22 THR A 685 -12.713 10.169 -11.460 1.00 53.12 H new ATOM 0 HG23 THR A 685 -14.486 10.293 -11.534 1.00 53.12 H new ATOM 1545 N PRO A 686 -12.517 11.650 -8.919 1.00 20.42 N ATOM 1546 CA PRO A 686 -11.507 11.262 -7.922 1.00 53.01 C ATOM 1547 C PRO A 686 -10.490 10.211 -8.385 1.00 54.21 C ATOM 1548 O PRO A 686 -10.819 9.284 -9.144 1.00 41.03 O ATOM 1549 CB PRO A 686 -12.358 10.682 -6.802 1.00 52.43 C ATOM 1550 CG PRO A 686 -13.597 10.222 -7.454 1.00 33.01 C ATOM 1551 CD PRO A 686 -13.871 11.228 -8.504 1.00 0.53 C ATOM 0 HA PRO A 686 -10.885 12.119 -7.662 1.00 53.01 H new ATOM 0 HB2 PRO A 686 -11.846 9.858 -6.305 1.00 52.43 H new ATOM 0 HB3 PRO A 686 -12.570 11.432 -6.040 1.00 52.43 H new ATOM 0 HG2 PRO A 686 -13.472 9.228 -7.883 1.00 33.01 H new ATOM 0 HG3 PRO A 686 -14.419 10.161 -6.741 1.00 33.01 H new ATOM 0 HD2 PRO A 686 -14.434 10.802 -9.335 1.00 0.53 H new ATOM 0 HD3 PRO A 686 -14.455 12.064 -8.120 1.00 0.53 H new ATOM 1559 N ARG A 687 -9.254 10.375 -7.942 1.00 33.25 N ATOM 1560 CA ARG A 687 -8.229 9.387 -8.178 1.00 51.45 C ATOM 1561 C ARG A 687 -8.101 8.630 -6.885 1.00 53.23 C ATOM 1562 O ARG A 687 -8.020 9.240 -5.828 1.00 61.23 O ATOM 1563 CB ARG A 687 -6.872 10.024 -8.513 1.00 34.34 C ATOM 1564 CG ARG A 687 -6.940 11.135 -9.533 1.00 64.41 C ATOM 1565 CD ARG A 687 -5.559 11.546 -10.022 1.00 23.43 C ATOM 1566 NE ARG A 687 -4.982 10.548 -10.944 1.00 14.55 N ATOM 1567 CZ ARG A 687 -3.834 10.712 -11.627 1.00 2.13 C ATOM 1568 NH1 ARG A 687 -3.135 11.832 -11.487 1.00 1.52 N ATOM 1569 NH2 ARG A 687 -3.401 9.767 -12.464 1.00 63.25 N ATOM 0 H ARG A 687 -8.941 11.190 -7.415 1.00 33.25 H new ATOM 0 HA ARG A 687 -8.501 8.759 -9.026 1.00 51.45 H new ATOM 0 HB2 ARG A 687 -6.432 10.415 -7.596 1.00 34.34 H new ATOM 0 HB3 ARG A 687 -6.201 9.248 -8.883 1.00 34.34 H new ATOM 0 HG2 ARG A 687 -7.543 10.812 -10.381 1.00 64.41 H new ATOM 0 HG3 ARG A 687 -7.441 11.998 -9.096 1.00 64.41 H new ATOM 0 HD2 ARG A 687 -5.624 12.510 -10.526 1.00 23.43 H new ATOM 0 HD3 ARG A 687 -4.895 11.677 -9.167 1.00 23.43 H new ATOM 0 HE ARG A 687 -5.489 9.672 -11.073 1.00 14.55 H new ATOM 0 HH11 ARG A 687 -3.468 12.566 -10.863 1.00 1.52 H new ATOM 0 HH12 ARG A 687 -2.265 11.958 -12.004 1.00 1.52 H new ATOM 0 HH21 ARG A 687 -3.941 8.911 -12.591 1.00 63.25 H new ATOM 0 HH22 ARG A 687 -2.530 9.901 -12.977 1.00 63.25 H new ATOM 1581 N ALA A 688 -8.052 7.346 -6.946 1.00 0.04 N ATOM 1582 CA ALA A 688 -8.070 6.563 -5.728 1.00 24.53 C ATOM 1583 C ALA A 688 -6.938 5.581 -5.704 1.00 30.10 C ATOM 1584 O ALA A 688 -6.256 5.393 -6.709 1.00 62.41 O ATOM 1585 CB ALA A 688 -9.410 5.847 -5.579 1.00 55.32 C ATOM 0 H ALA A 688 -7.999 6.805 -7.809 1.00 0.04 H new ATOM 0 HA ALA A 688 -7.942 7.240 -4.884 1.00 24.53 H new ATOM 0 HB1 ALA A 688 -9.410 5.262 -4.659 1.00 55.32 H new ATOM 0 HB2 ALA A 688 -10.213 6.583 -5.541 1.00 55.32 H new ATOM 0 HB3 ALA A 688 -9.565 5.184 -6.430 1.00 55.32 H new ATOM 1591 N THR A 689 -6.705 5.000 -4.554 1.00 1.00 N ATOM 1592 CA THR A 689 -5.683 4.004 -4.384 1.00 74.31 C ATOM 1593 C THR A 689 -6.330 2.657 -4.062 1.00 13.42 C ATOM 1594 O THR A 689 -7.265 2.581 -3.242 1.00 1.23 O ATOM 1595 CB THR A 689 -4.740 4.402 -3.237 1.00 14.42 C ATOM 1596 OG1 THR A 689 -4.273 5.717 -3.473 1.00 20.41 O ATOM 1597 CG2 THR A 689 -3.541 3.472 -3.173 1.00 13.34 C ATOM 0 H THR A 689 -7.226 5.209 -3.702 1.00 1.00 H new ATOM 0 HA THR A 689 -5.109 3.926 -5.307 1.00 74.31 H new ATOM 0 HB THR A 689 -5.287 4.339 -2.296 1.00 14.42 H new ATOM 0 HG1 THR A 689 -4.995 6.357 -3.299 1.00 20.41 H new ATOM 0 HG21 THR A 689 -2.889 3.775 -2.353 1.00 13.34 H new ATOM 0 HG22 THR A 689 -3.882 2.450 -3.007 1.00 13.34 H new ATOM 0 HG23 THR A 689 -2.990 3.523 -4.112 1.00 13.34 H new ATOM 1603 N LEU A 690 -5.868 1.630 -4.727 1.00 24.44 N ATOM 1604 CA LEU A 690 -6.324 0.297 -4.513 1.00 12.14 C ATOM 1605 C LEU A 690 -5.086 -0.543 -4.249 1.00 14.31 C ATOM 1606 O LEU A 690 -4.210 -0.664 -5.108 1.00 55.30 O ATOM 1607 CB LEU A 690 -7.101 -0.186 -5.772 1.00 60.14 C ATOM 1608 CG LEU A 690 -7.872 -1.532 -5.720 1.00 74.42 C ATOM 1609 CD1 LEU A 690 -6.960 -2.714 -5.525 1.00 41.54 C ATOM 1610 CD2 LEU A 690 -8.937 -1.502 -4.645 1.00 15.43 C ATOM 0 H LEU A 690 -5.149 1.708 -5.446 1.00 24.44 H new ATOM 0 HA LEU A 690 -7.008 0.219 -3.668 1.00 12.14 H new ATOM 0 HB2 LEU A 690 -7.818 0.592 -6.033 1.00 60.14 H new ATOM 0 HB3 LEU A 690 -6.387 -0.249 -6.593 1.00 60.14 H new ATOM 0 HG LEU A 690 -8.352 -1.655 -6.691 1.00 74.42 H new ATOM 0 HD11 LEU A 690 -7.552 -3.629 -5.496 1.00 41.54 H new ATOM 0 HD12 LEU A 690 -6.251 -2.766 -6.351 1.00 41.54 H new ATOM 0 HD13 LEU A 690 -6.417 -2.603 -4.587 1.00 41.54 H new ATOM 0 HD21 LEU A 690 -9.464 -2.456 -4.628 1.00 15.43 H new ATOM 0 HD22 LEU A 690 -8.470 -1.328 -3.675 1.00 15.43 H new ATOM 0 HD23 LEU A 690 -9.645 -0.701 -4.856 1.00 15.43 H new ATOM 1618 N ILE A 691 -4.987 -1.084 -3.079 1.00 64.13 N ATOM 1619 CA ILE A 691 -3.832 -1.876 -2.741 1.00 3.22 C ATOM 1620 C ILE A 691 -4.212 -3.340 -2.811 1.00 11.00 C ATOM 1621 O ILE A 691 -5.174 -3.753 -2.177 1.00 64.41 O ATOM 1622 CB ILE A 691 -3.249 -1.557 -1.317 1.00 44.03 C ATOM 1623 CG1 ILE A 691 -2.947 -0.054 -1.120 1.00 23.34 C ATOM 1624 CG2 ILE A 691 -1.985 -2.365 -1.058 1.00 13.41 C ATOM 1625 CD1 ILE A 691 -4.165 0.818 -0.861 1.00 11.32 C ATOM 0 H ILE A 691 -5.684 -0.998 -2.339 1.00 64.13 H new ATOM 0 HA ILE A 691 -3.049 -1.630 -3.459 1.00 3.22 H new ATOM 0 HB ILE A 691 -4.020 -1.838 -0.600 1.00 44.03 H new ATOM 0 HG12 ILE A 691 -2.256 0.056 -0.284 1.00 23.34 H new ATOM 0 HG13 ILE A 691 -2.435 0.318 -2.008 1.00 23.34 H new ATOM 0 HG21 ILE A 691 -1.599 -2.128 -0.067 1.00 13.41 H new ATOM 0 HG22 ILE A 691 -2.216 -3.429 -1.113 1.00 13.41 H new ATOM 0 HG23 ILE A 691 -1.235 -2.117 -1.809 1.00 13.41 H new ATOM 0 HD11 ILE A 691 -3.851 1.854 -0.736 1.00 11.32 H new ATOM 0 HD12 ILE A 691 -4.850 0.746 -1.706 1.00 11.32 H new ATOM 0 HD13 ILE A 691 -4.669 0.480 0.045 1.00 11.32 H new ATOM 1632 N THR A 692 -3.486 -4.097 -3.582 1.00 45.33 N ATOM 1633 CA THR A 692 -3.744 -5.472 -3.769 1.00 13.34 C ATOM 1634 C THR A 692 -2.712 -6.276 -2.973 1.00 12.11 C ATOM 1635 O THR A 692 -1.504 -6.198 -3.226 1.00 73.32 O ATOM 1636 CB THR A 692 -3.622 -5.784 -5.262 1.00 45.53 C ATOM 1637 OG1 THR A 692 -4.455 -4.864 -6.014 1.00 13.23 O ATOM 1638 CG2 THR A 692 -4.042 -7.203 -5.577 1.00 3.53 C ATOM 0 H THR A 692 -2.681 -3.754 -4.106 1.00 45.33 H new ATOM 0 HA THR A 692 -4.744 -5.734 -3.424 1.00 13.34 H new ATOM 0 HB THR A 692 -2.575 -5.672 -5.542 1.00 45.53 H new ATOM 0 HG1 THR A 692 -5.320 -5.285 -6.202 1.00 13.23 H new ATOM 0 HG21 THR A 692 -3.940 -7.383 -6.647 1.00 3.53 H new ATOM 0 HG22 THR A 692 -3.408 -7.900 -5.030 1.00 3.53 H new ATOM 0 HG23 THR A 692 -5.081 -7.349 -5.282 1.00 3.53 H new ATOM 1644 N PHE A 693 -3.189 -7.020 -2.031 1.00 74.41 N ATOM 1645 CA PHE A 693 -2.363 -7.796 -1.147 1.00 43.01 C ATOM 1646 C PHE A 693 -2.272 -9.190 -1.658 1.00 31.20 C ATOM 1647 O PHE A 693 -3.292 -9.852 -1.834 1.00 34.10 O ATOM 1648 CB PHE A 693 -2.984 -7.821 0.235 1.00 2.14 C ATOM 1649 CG PHE A 693 -3.113 -6.463 0.892 1.00 44.43 C ATOM 1650 CD1 PHE A 693 -4.059 -5.545 0.461 1.00 53.10 C ATOM 1651 CD2 PHE A 693 -2.301 -6.117 1.957 1.00 60.12 C ATOM 1652 CE1 PHE A 693 -4.185 -4.327 1.073 1.00 11.13 C ATOM 1653 CE2 PHE A 693 -2.422 -4.896 2.569 1.00 22.34 C ATOM 1654 CZ PHE A 693 -3.365 -4.002 2.128 1.00 41.24 C ATOM 0 H PHE A 693 -4.188 -7.112 -1.845 1.00 74.41 H new ATOM 0 HA PHE A 693 -1.369 -7.351 -1.097 1.00 43.01 H new ATOM 0 HB2 PHE A 693 -3.974 -8.272 0.166 1.00 2.14 H new ATOM 0 HB3 PHE A 693 -2.384 -8.465 0.877 1.00 2.14 H new ATOM 0 HD1 PHE A 693 -4.705 -5.794 -0.368 1.00 53.10 H new ATOM 0 HD2 PHE A 693 -1.561 -6.819 2.312 1.00 60.12 H new ATOM 0 HE1 PHE A 693 -4.927 -3.622 0.728 1.00 11.13 H new ATOM 0 HE2 PHE A 693 -1.777 -4.639 3.396 1.00 22.34 H new ATOM 0 HZ PHE A 693 -3.463 -3.041 2.611 1.00 41.24 H new ATOM 1664 N LEU A 694 -1.086 -9.643 -1.884 1.00 71.24 N ATOM 1665 CA LEU A 694 -0.885 -10.948 -2.406 1.00 30.12 C ATOM 1666 C LEU A 694 -0.187 -11.799 -1.396 1.00 72.11 C ATOM 1667 O LEU A 694 0.615 -11.311 -0.579 1.00 55.25 O ATOM 1668 CB LEU A 694 -0.069 -10.894 -3.692 1.00 34.24 C ATOM 1669 CG LEU A 694 -0.631 -10.002 -4.789 1.00 22.53 C ATOM 1670 CD1 LEU A 694 0.267 -10.005 -5.996 1.00 12.32 C ATOM 1671 CD2 LEU A 694 -2.037 -10.411 -5.178 1.00 35.14 C ATOM 0 H LEU A 694 -0.229 -9.117 -1.711 1.00 71.24 H new ATOM 0 HA LEU A 694 -1.858 -11.383 -2.632 1.00 30.12 H new ATOM 0 HB2 LEU A 694 0.937 -10.551 -3.449 1.00 34.24 H new ATOM 0 HB3 LEU A 694 0.025 -11.907 -4.084 1.00 34.24 H new ATOM 0 HG LEU A 694 -0.676 -8.989 -4.390 1.00 22.53 H new ATOM 0 HD11 LEU A 694 -0.156 -9.360 -6.766 1.00 12.32 H new ATOM 0 HD12 LEU A 694 1.254 -9.636 -5.716 1.00 12.32 H new ATOM 0 HD13 LEU A 694 0.355 -11.021 -6.381 1.00 12.32 H new ATOM 0 HD21 LEU A 694 -2.404 -9.751 -5.964 1.00 35.14 H new ATOM 0 HD22 LEU A 694 -2.030 -11.438 -5.542 1.00 35.14 H new ATOM 0 HD23 LEU A 694 -2.691 -10.339 -4.309 1.00 35.14 H new ATOM 1679 N CYS A 695 -0.492 -13.039 -1.441 1.00 35.25 N ATOM 1680 CA CYS A 695 0.105 -14.009 -0.577 1.00 62.23 C ATOM 1681 C CYS A 695 1.341 -14.566 -1.247 1.00 22.54 C ATOM 1682 O CYS A 695 1.273 -15.060 -2.384 1.00 71.35 O ATOM 1683 CB CYS A 695 -0.897 -15.135 -0.274 1.00 13.24 C ATOM 1684 SG CYS A 695 -0.246 -16.481 0.782 1.00 44.50 S ATOM 0 H CYS A 695 -1.177 -13.427 -2.090 1.00 35.25 H new ATOM 0 HA CYS A 695 0.385 -13.540 0.367 1.00 62.23 H new ATOM 0 HB2 CYS A 695 -1.772 -14.702 0.212 1.00 13.24 H new ATOM 0 HB3 CYS A 695 -1.236 -15.564 -1.217 1.00 13.24 H new ATOM 1689 N ASP A 696 2.466 -14.454 -0.587 1.00 51.11 N ATOM 1690 CA ASP A 696 3.703 -15.008 -1.117 1.00 72.31 C ATOM 1691 C ASP A 696 4.451 -15.684 0.007 1.00 74.41 C ATOM 1692 O ASP A 696 4.390 -15.224 1.156 1.00 53.11 O ATOM 1693 CB ASP A 696 4.580 -13.929 -1.780 1.00 70.15 C ATOM 1694 CG ASP A 696 5.781 -14.519 -2.511 1.00 51.51 C ATOM 1695 OD1 ASP A 696 5.654 -14.840 -3.707 1.00 31.53 O ATOM 1696 OD2 ASP A 696 6.854 -14.688 -1.911 1.00 32.13 O ATOM 0 H ASP A 696 2.559 -13.988 0.315 1.00 51.11 H new ATOM 0 HA ASP A 696 3.457 -15.733 -1.893 1.00 72.31 H new ATOM 0 HB2 ASP A 696 3.976 -13.357 -2.484 1.00 70.15 H new ATOM 0 HB3 ASP A 696 4.929 -13.231 -1.019 1.00 70.15 H new ATOM 1701 N ARG A 697 5.136 -16.775 -0.308 1.00 1.34 N ATOM 1702 CA ARG A 697 5.860 -17.561 0.694 1.00 12.33 C ATOM 1703 C ARG A 697 6.969 -16.747 1.363 1.00 40.13 C ATOM 1704 O ARG A 697 7.213 -16.883 2.568 1.00 65.44 O ATOM 1705 CB ARG A 697 6.443 -18.836 0.079 1.00 63.53 C ATOM 1706 CG ARG A 697 5.413 -19.790 -0.510 1.00 64.31 C ATOM 1707 CD ARG A 697 6.092 -21.023 -1.076 1.00 14.22 C ATOM 1708 NE ARG A 697 5.149 -21.978 -1.676 1.00 2.00 N ATOM 1709 CZ ARG A 697 5.516 -23.056 -2.388 1.00 63.44 C ATOM 1710 NH1 ARG A 697 6.803 -23.345 -2.543 1.00 50.44 N ATOM 1711 NH2 ARG A 697 4.595 -23.842 -2.929 1.00 42.50 N ATOM 0 H ARG A 697 5.208 -17.142 -1.257 1.00 1.34 H new ATOM 0 HA ARG A 697 5.137 -17.840 1.461 1.00 12.33 H new ATOM 0 HB2 ARG A 697 7.147 -18.556 -0.704 1.00 63.53 H new ATOM 0 HB3 ARG A 697 7.011 -19.365 0.844 1.00 63.53 H new ATOM 0 HG2 ARG A 697 4.698 -20.082 0.259 1.00 64.31 H new ATOM 0 HG3 ARG A 697 4.849 -19.286 -1.295 1.00 64.31 H new ATOM 0 HD2 ARG A 697 6.818 -20.717 -1.829 1.00 14.22 H new ATOM 0 HD3 ARG A 697 6.648 -21.521 -0.282 1.00 14.22 H new ATOM 0 HE ARG A 697 4.152 -21.811 -1.543 1.00 2.00 H new ATOM 0 HH11 ARG A 697 7.514 -22.748 -2.121 1.00 50.44 H new ATOM 0 HH12 ARG A 697 7.080 -24.164 -3.084 1.00 50.44 H new ATOM 0 HH21 ARG A 697 3.605 -23.628 -2.805 1.00 42.50 H new ATOM 0 HH22 ARG A 697 4.876 -24.660 -3.469 1.00 42.50 H new ATOM 1723 N ASP A 698 7.611 -15.893 0.603 1.00 45.41 N ATOM 1724 CA ASP A 698 8.683 -15.079 1.129 1.00 74.42 C ATOM 1725 C ASP A 698 8.206 -13.664 1.282 1.00 51.31 C ATOM 1726 O ASP A 698 7.966 -12.968 0.287 1.00 1.04 O ATOM 1727 CB ASP A 698 9.919 -15.138 0.221 1.00 21.33 C ATOM 1728 CG ASP A 698 11.047 -14.234 0.675 1.00 54.13 C ATOM 1729 OD1 ASP A 698 11.725 -14.549 1.676 1.00 72.04 O ATOM 1730 OD2 ASP A 698 11.283 -13.188 0.028 1.00 35.23 O ATOM 0 H ASP A 698 7.410 -15.743 -0.386 1.00 45.41 H new ATOM 0 HA ASP A 698 8.974 -15.469 2.105 1.00 74.42 H new ATOM 0 HB2 ASP A 698 10.281 -16.165 0.180 1.00 21.33 H new ATOM 0 HB3 ASP A 698 9.629 -14.862 -0.793 1.00 21.33 H new ATOM 1735 N ALA A 699 8.072 -13.238 2.517 1.00 12.53 N ATOM 1736 CA ALA A 699 7.564 -11.928 2.854 1.00 11.50 C ATOM 1737 C ALA A 699 7.587 -11.772 4.356 1.00 74.41 C ATOM 1738 O ALA A 699 8.113 -12.631 5.071 1.00 51.11 O ATOM 1739 CB ALA A 699 6.125 -11.756 2.345 1.00 73.54 C ATOM 0 H ALA A 699 8.317 -13.803 3.330 1.00 12.53 H new ATOM 0 HA ALA A 699 8.189 -11.170 2.382 1.00 11.50 H new ATOM 0 HB1 ALA A 699 5.762 -10.763 2.609 1.00 73.54 H new ATOM 0 HB2 ALA A 699 6.106 -11.873 1.261 1.00 73.54 H new ATOM 0 HB3 ALA A 699 5.485 -12.510 2.803 1.00 73.54 H new ATOM 1745 N GLY A 700 7.039 -10.693 4.816 1.00 22.44 N ATOM 1746 CA GLY A 700 6.918 -10.430 6.205 1.00 63.33 C ATOM 1747 C GLY A 700 5.877 -9.389 6.407 1.00 71.51 C ATOM 1748 O GLY A 700 4.671 -9.674 6.295 1.00 70.45 O ATOM 0 H GLY A 700 6.657 -9.958 4.220 1.00 22.44 H new ATOM 0 HA2 GLY A 700 6.649 -11.341 6.739 1.00 63.33 H new ATOM 0 HA3 GLY A 700 7.872 -10.093 6.610 1.00 63.33 H new ATOM 1752 N VAL A 701 6.313 -8.174 6.658 1.00 31.35 N ATOM 1753 CA VAL A 701 5.396 -7.069 6.788 1.00 64.21 C ATOM 1754 C VAL A 701 4.918 -6.676 5.390 1.00 50.34 C ATOM 1755 O VAL A 701 3.721 -6.530 5.129 1.00 54.32 O ATOM 1756 CB VAL A 701 6.045 -5.856 7.547 1.00 44.33 C ATOM 1757 CG1 VAL A 701 7.301 -5.322 6.858 1.00 40.55 C ATOM 1758 CG2 VAL A 701 5.048 -4.744 7.782 1.00 41.42 C ATOM 0 H VAL A 701 7.296 -7.929 6.776 1.00 31.35 H new ATOM 0 HA VAL A 701 4.542 -7.374 7.393 1.00 64.21 H new ATOM 0 HB VAL A 701 6.357 -6.245 8.516 1.00 44.33 H new ATOM 0 HG11 VAL A 701 7.702 -4.486 7.430 1.00 40.55 H new ATOM 0 HG12 VAL A 701 8.048 -6.113 6.800 1.00 40.55 H new ATOM 0 HG13 VAL A 701 7.049 -4.986 5.852 1.00 40.55 H new ATOM 0 HG21 VAL A 701 5.535 -3.924 8.309 1.00 41.42 H new ATOM 0 HG22 VAL A 701 4.670 -4.386 6.824 1.00 41.42 H new ATOM 0 HG23 VAL A 701 4.219 -5.119 8.382 1.00 41.42 H new ATOM 1764 N GLY A 702 5.844 -6.602 4.491 1.00 34.52 N ATOM 1765 CA GLY A 702 5.527 -6.296 3.152 1.00 74.05 C ATOM 1766 C GLY A 702 5.696 -4.854 2.815 1.00 54.42 C ATOM 1767 O GLY A 702 5.345 -3.972 3.593 1.00 74.13 O ATOM 0 H GLY A 702 6.836 -6.753 4.672 1.00 34.52 H new ATOM 0 HA2 GLY A 702 6.158 -6.891 2.492 1.00 74.05 H new ATOM 0 HA3 GLY A 702 4.496 -6.588 2.955 1.00 74.05 H new ATOM 1771 N PHE A 703 6.258 -4.626 1.684 1.00 41.25 N ATOM 1772 CA PHE A 703 6.402 -3.315 1.137 1.00 72.33 C ATOM 1773 C PHE A 703 5.663 -3.261 -0.185 1.00 20.13 C ATOM 1774 O PHE A 703 5.840 -4.148 -1.037 1.00 20.31 O ATOM 1775 CB PHE A 703 7.880 -2.937 0.971 1.00 51.25 C ATOM 1776 CG PHE A 703 8.617 -2.800 2.280 1.00 70.41 C ATOM 1777 CD1 PHE A 703 8.559 -1.617 2.994 1.00 32.31 C ATOM 1778 CD2 PHE A 703 9.357 -3.852 2.794 1.00 11.34 C ATOM 1779 CE1 PHE A 703 9.224 -1.482 4.195 1.00 62.13 C ATOM 1780 CE2 PHE A 703 10.024 -3.725 3.996 1.00 25.32 C ATOM 1781 CZ PHE A 703 9.957 -2.537 4.698 1.00 73.51 C ATOM 0 H PHE A 703 6.643 -5.362 1.093 1.00 41.25 H new ATOM 0 HA PHE A 703 5.972 -2.585 1.823 1.00 72.33 H new ATOM 0 HB2 PHE A 703 8.374 -3.694 0.362 1.00 51.25 H new ATOM 0 HB3 PHE A 703 7.947 -1.996 0.425 1.00 51.25 H new ATOM 0 HD1 PHE A 703 7.986 -0.788 2.606 1.00 32.31 H new ATOM 0 HD2 PHE A 703 9.413 -4.782 2.248 1.00 11.34 H new ATOM 0 HE1 PHE A 703 9.171 -0.552 4.741 1.00 62.13 H new ATOM 0 HE2 PHE A 703 10.597 -4.553 4.387 1.00 25.32 H new ATOM 0 HZ PHE A 703 10.477 -2.434 5.639 1.00 73.51 H new ATOM 1791 N PRO A 704 4.805 -2.250 -0.371 1.00 51.42 N ATOM 1792 CA PRO A 704 3.997 -2.120 -1.577 1.00 62.33 C ATOM 1793 C PRO A 704 4.838 -1.808 -2.805 1.00 42.42 C ATOM 1794 O PRO A 704 5.817 -1.066 -2.737 1.00 31.30 O ATOM 1795 CB PRO A 704 3.057 -0.952 -1.260 1.00 21.33 C ATOM 1796 CG PRO A 704 3.754 -0.174 -0.197 1.00 4.32 C ATOM 1797 CD PRO A 704 4.558 -1.162 0.589 1.00 42.02 C ATOM 0 HA PRO A 704 3.476 -3.047 -1.816 1.00 62.33 H new ATOM 0 HB2 PRO A 704 2.877 -0.340 -2.143 1.00 21.33 H new ATOM 0 HB3 PRO A 704 2.086 -1.309 -0.916 1.00 21.33 H new ATOM 0 HG2 PRO A 704 4.397 0.591 -0.633 1.00 4.32 H new ATOM 0 HG3 PRO A 704 3.036 0.340 0.443 1.00 4.32 H new ATOM 0 HD2 PRO A 704 5.490 -0.725 0.948 1.00 42.02 H new ATOM 0 HD3 PRO A 704 4.014 -1.516 1.464 1.00 42.02 H new ATOM 1805 N GLU A 705 4.453 -2.366 -3.905 1.00 5.42 N ATOM 1806 CA GLU A 705 5.140 -2.185 -5.144 1.00 1.45 C ATOM 1807 C GLU A 705 4.130 -1.547 -6.105 1.00 72.12 C ATOM 1808 O GLU A 705 3.001 -2.033 -6.226 1.00 62.24 O ATOM 1809 CB GLU A 705 5.609 -3.596 -5.600 1.00 10.21 C ATOM 1810 CG GLU A 705 6.613 -3.670 -6.744 1.00 24.01 C ATOM 1811 CD GLU A 705 6.085 -3.211 -8.054 1.00 53.54 C ATOM 1812 OE1 GLU A 705 5.367 -3.988 -8.707 1.00 33.42 O ATOM 1813 OE2 GLU A 705 6.394 -2.088 -8.463 1.00 41.14 O ATOM 0 H GLU A 705 3.636 -2.973 -3.970 1.00 5.42 H new ATOM 0 HA GLU A 705 6.016 -1.539 -5.089 1.00 1.45 H new ATOM 0 HB2 GLU A 705 6.045 -4.100 -4.737 1.00 10.21 H new ATOM 0 HB3 GLU A 705 4.726 -4.166 -5.890 1.00 10.21 H new ATOM 0 HG2 GLU A 705 7.484 -3.068 -6.486 1.00 24.01 H new ATOM 0 HG3 GLU A 705 6.956 -4.700 -6.845 1.00 24.01 H new ATOM 1820 N TYR A 706 4.512 -0.477 -6.764 1.00 51.03 N ATOM 1821 CA TYR A 706 3.590 0.260 -7.612 1.00 40.34 C ATOM 1822 C TYR A 706 3.292 -0.452 -8.921 1.00 10.03 C ATOM 1823 O TYR A 706 4.175 -0.668 -9.745 1.00 43.34 O ATOM 1824 CB TYR A 706 4.065 1.705 -7.849 1.00 61.13 C ATOM 1825 CG TYR A 706 3.208 2.459 -8.832 1.00 32.53 C ATOM 1826 CD1 TYR A 706 1.893 2.761 -8.535 1.00 72.43 C ATOM 1827 CD2 TYR A 706 3.714 2.856 -10.062 1.00 50.51 C ATOM 1828 CE1 TYR A 706 1.104 3.431 -9.423 1.00 1.32 C ATOM 1829 CE2 TYR A 706 2.929 3.536 -10.962 1.00 74.33 C ATOM 1830 CZ TYR A 706 1.625 3.821 -10.639 1.00 73.44 C ATOM 1831 OH TYR A 706 0.836 4.489 -11.536 1.00 3.24 O ATOM 0 H TYR A 706 5.456 -0.093 -6.732 1.00 51.03 H new ATOM 0 HA TYR A 706 2.647 0.307 -7.067 1.00 40.34 H new ATOM 0 HB2 TYR A 706 4.071 2.239 -6.899 1.00 61.13 H new ATOM 0 HB3 TYR A 706 5.093 1.688 -8.212 1.00 61.13 H new ATOM 0 HD1 TYR A 706 1.482 2.461 -7.582 1.00 72.43 H new ATOM 0 HD2 TYR A 706 4.739 2.627 -10.315 1.00 50.51 H new ATOM 0 HE1 TYR A 706 0.077 3.655 -9.175 1.00 1.32 H new ATOM 0 HE2 TYR A 706 3.334 3.844 -11.915 1.00 74.33 H new ATOM 0 HH TYR A 706 1.356 4.692 -12.342 1.00 3.24 H new ATOM 1841 N GLN A 707 2.027 -0.787 -9.112 1.00 60.13 N ATOM 1842 CA GLN A 707 1.595 -1.472 -10.302 1.00 30.34 C ATOM 1843 C GLN A 707 1.446 -0.526 -11.472 1.00 52.22 C ATOM 1844 O GLN A 707 2.392 -0.325 -12.232 1.00 70.04 O ATOM 1845 CB GLN A 707 0.296 -2.256 -10.068 1.00 65.41 C ATOM 1846 CG GLN A 707 0.443 -3.389 -9.081 1.00 13.43 C ATOM 1847 CD GLN A 707 1.375 -4.453 -9.597 1.00 20.10 C ATOM 1848 OE1 GLN A 707 0.950 -5.404 -10.241 1.00 70.03 O ATOM 1849 NE2 GLN A 707 2.645 -4.293 -9.350 1.00 64.32 N ATOM 0 H GLN A 707 1.280 -0.590 -8.446 1.00 60.13 H new ATOM 0 HA GLN A 707 2.377 -2.189 -10.551 1.00 30.34 H new ATOM 0 HB2 GLN A 707 -0.472 -1.571 -9.710 1.00 65.41 H new ATOM 0 HB3 GLN A 707 -0.053 -2.657 -11.020 1.00 65.41 H new ATOM 0 HG2 GLN A 707 0.820 -3.002 -8.134 1.00 13.43 H new ATOM 0 HG3 GLN A 707 -0.535 -3.827 -8.880 1.00 13.43 H new ATOM 0 HE21 GLN A 707 2.962 -3.488 -8.810 1.00 64.32 H new ATOM 0 HE22 GLN A 707 3.322 -4.973 -9.697 1.00 64.32 H new ATOM 1857 N GLU A 708 0.280 0.090 -11.592 1.00 22.05 N ATOM 1858 CA GLU A 708 -0.019 0.933 -12.731 1.00 64.40 C ATOM 1859 C GLU A 708 -1.323 1.674 -12.569 1.00 12.43 C ATOM 1860 O GLU A 708 -2.387 1.070 -12.394 1.00 12.13 O ATOM 1861 CB GLU A 708 -0.080 0.079 -13.998 1.00 41.02 C ATOM 1862 CG GLU A 708 -1.005 -1.130 -13.874 1.00 0.53 C ATOM 1863 CD GLU A 708 -1.062 -1.959 -15.103 1.00 61.32 C ATOM 1864 OE1 GLU A 708 -0.164 -2.806 -15.299 1.00 20.33 O ATOM 1865 OE2 GLU A 708 -2.002 -1.789 -15.893 1.00 74.41 O ATOM 0 H GLU A 708 -0.475 0.019 -10.910 1.00 22.05 H new ATOM 0 HA GLU A 708 0.777 1.674 -12.805 1.00 64.40 H new ATOM 0 HB2 GLU A 708 -0.416 0.699 -14.829 1.00 41.02 H new ATOM 0 HB3 GLU A 708 0.925 -0.266 -14.243 1.00 41.02 H new ATOM 0 HG2 GLU A 708 -0.670 -1.750 -13.042 1.00 0.53 H new ATOM 0 HG3 GLU A 708 -2.010 -0.785 -13.631 1.00 0.53 H new ATOM 1872 N GLU A 709 -1.246 2.958 -12.533 1.00 55.13 N ATOM 1873 CA GLU A 709 -2.438 3.745 -12.617 1.00 33.11 C ATOM 1874 C GLU A 709 -2.692 3.938 -14.092 1.00 12.30 C ATOM 1875 O GLU A 709 -1.796 4.371 -14.828 1.00 50.31 O ATOM 1876 CB GLU A 709 -2.287 5.085 -11.899 1.00 51.11 C ATOM 1877 CG GLU A 709 -3.609 5.816 -11.572 1.00 4.14 C ATOM 1878 CD GLU A 709 -4.426 6.258 -12.750 1.00 70.24 C ATOM 1879 OE1 GLU A 709 -4.169 7.351 -13.271 1.00 14.43 O ATOM 1880 OE2 GLU A 709 -5.348 5.537 -13.150 1.00 25.45 O ATOM 0 H GLU A 709 -0.379 3.488 -12.447 1.00 55.13 H new ATOM 0 HA GLU A 709 -3.274 3.247 -12.126 1.00 33.11 H new ATOM 0 HB2 GLU A 709 -1.743 4.920 -10.969 1.00 51.11 H new ATOM 0 HB3 GLU A 709 -1.672 5.741 -12.515 1.00 51.11 H new ATOM 0 HG2 GLU A 709 -4.222 5.158 -10.956 1.00 4.14 H new ATOM 0 HG3 GLU A 709 -3.376 6.692 -10.967 1.00 4.14 H new ATOM 1887 N ASP A 710 -3.856 3.629 -14.513 1.00 32.31 N ATOM 1888 CA ASP A 710 -4.232 3.737 -15.903 1.00 43.44 C ATOM 1889 C ASP A 710 -5.712 3.725 -15.964 1.00 70.31 C ATOM 1890 O ASP A 710 -6.345 4.583 -16.585 1.00 62.10 O ATOM 1891 CB ASP A 710 -3.691 2.551 -16.703 1.00 42.21 C ATOM 1892 CG ASP A 710 -4.049 2.629 -18.166 1.00 3.14 C ATOM 1893 OD1 ASP A 710 -5.137 2.144 -18.562 1.00 33.42 O ATOM 1894 OD2 ASP A 710 -3.244 3.160 -18.952 1.00 14.52 O ATOM 0 H ASP A 710 -4.601 3.286 -13.907 1.00 32.31 H new ATOM 0 HA ASP A 710 -3.821 4.653 -16.328 1.00 43.44 H new ATOM 0 HB2 ASP A 710 -2.607 2.511 -16.599 1.00 42.21 H new ATOM 0 HB3 ASP A 710 -4.085 1.625 -16.285 1.00 42.21 H new ATOM 1899 N ASN A 711 -6.251 2.739 -15.290 1.00 52.11 N ATOM 1900 CA ASN A 711 -7.670 2.514 -15.182 1.00 50.54 C ATOM 1901 C ASN A 711 -8.413 3.738 -14.630 1.00 40.44 C ATOM 1902 O ASN A 711 -9.316 4.264 -15.295 1.00 21.11 O ATOM 1903 CB ASN A 711 -7.950 1.230 -14.347 1.00 24.42 C ATOM 1904 CG ASN A 711 -7.314 1.243 -12.948 1.00 25.04 C ATOM 1905 OD1 ASN A 711 -7.920 1.691 -11.982 1.00 64.31 O ATOM 1906 ND2 ASN A 711 -6.093 0.743 -12.833 1.00 14.11 N ATOM 0 H ASN A 711 -5.695 2.049 -14.785 1.00 52.11 H new ATOM 0 HA ASN A 711 -8.063 2.356 -16.187 1.00 50.54 H new ATOM 0 HB2 ASN A 711 -9.028 1.104 -14.244 1.00 24.42 H new ATOM 0 HB3 ASN A 711 -7.579 0.364 -14.896 1.00 24.42 H new ATOM 0 HD21 ASN A 711 -5.633 0.724 -11.923 1.00 14.11 H new ATOM 0 HD22 ASN A 711 -5.612 0.377 -13.655 1.00 14.11 H new ATOM 1912 N SER A 712 -7.977 4.228 -13.473 1.00 3.31 N ATOM 1913 CA SER A 712 -8.619 5.334 -12.761 1.00 63.11 C ATOM 1914 C SER A 712 -8.031 5.428 -11.367 1.00 13.10 C ATOM 1915 O SER A 712 -7.992 6.503 -10.738 1.00 53.52 O ATOM 1916 CB SER A 712 -10.131 5.057 -12.607 1.00 61.13 C ATOM 1917 OG SER A 712 -10.368 3.832 -11.905 1.00 34.04 O ATOM 0 H SER A 712 -7.154 3.863 -12.994 1.00 3.31 H new ATOM 0 HA SER A 712 -8.459 6.254 -13.323 1.00 63.11 H new ATOM 0 HB2 SER A 712 -10.601 5.882 -12.072 1.00 61.13 H new ATOM 0 HB3 SER A 712 -10.596 5.010 -13.592 1.00 61.13 H new ATOM 0 HG SER A 712 -11.333 3.684 -11.822 1.00 34.04 H new ATOM 1923 N THR A 713 -7.586 4.298 -10.906 1.00 0.33 N ATOM 1924 CA THR A 713 -7.142 4.104 -9.582 1.00 24.14 C ATOM 1925 C THR A 713 -5.682 3.582 -9.567 1.00 44.15 C ATOM 1926 O THR A 713 -5.270 2.822 -10.458 1.00 63.43 O ATOM 1927 CB THR A 713 -8.111 3.069 -8.962 1.00 54.03 C ATOM 1928 OG1 THR A 713 -9.467 3.555 -9.107 1.00 13.32 O ATOM 1929 CG2 THR A 713 -7.829 2.811 -7.502 1.00 2.40 C ATOM 0 H THR A 713 -7.525 3.456 -11.478 1.00 0.33 H new ATOM 0 HA THR A 713 -7.142 5.035 -9.015 1.00 24.14 H new ATOM 0 HB THR A 713 -7.971 2.126 -9.490 1.00 54.03 H new ATOM 0 HG1 THR A 713 -9.724 3.531 -10.052 1.00 13.32 H new ATOM 0 HG21 THR A 713 -8.538 2.077 -7.119 1.00 2.40 H new ATOM 0 HG22 THR A 713 -6.815 2.428 -7.389 1.00 2.40 H new ATOM 0 HG23 THR A 713 -7.930 3.741 -6.942 1.00 2.40 H new ATOM 1935 N TYR A 714 -4.917 4.023 -8.579 1.00 10.14 N ATOM 1936 CA TYR A 714 -3.545 3.598 -8.384 1.00 5.22 C ATOM 1937 C TYR A 714 -3.513 2.260 -7.685 1.00 2.40 C ATOM 1938 O TYR A 714 -4.003 2.132 -6.578 1.00 22.11 O ATOM 1939 CB TYR A 714 -2.750 4.634 -7.541 1.00 11.11 C ATOM 1940 CG TYR A 714 -2.409 5.929 -8.256 1.00 35.03 C ATOM 1941 CD1 TYR A 714 -3.344 6.943 -8.436 1.00 13.10 C ATOM 1942 CD2 TYR A 714 -1.130 6.130 -8.756 1.00 53.01 C ATOM 1943 CE1 TYR A 714 -3.000 8.111 -9.104 1.00 75.22 C ATOM 1944 CE2 TYR A 714 -0.783 7.285 -9.414 1.00 3.14 C ATOM 1945 CZ TYR A 714 -1.711 8.270 -9.591 1.00 33.01 C ATOM 1946 OH TYR A 714 -1.356 9.421 -10.260 1.00 0.01 O ATOM 0 H TYR A 714 -5.239 4.695 -7.883 1.00 10.14 H new ATOM 0 HA TYR A 714 -3.078 3.515 -9.366 1.00 5.22 H new ATOM 0 HB2 TYR A 714 -3.329 4.873 -6.649 1.00 11.11 H new ATOM 0 HB3 TYR A 714 -1.823 4.169 -7.205 1.00 11.11 H new ATOM 0 HD1 TYR A 714 -4.346 6.821 -8.053 1.00 13.10 H new ATOM 0 HD2 TYR A 714 -0.387 5.357 -8.624 1.00 53.01 H new ATOM 0 HE1 TYR A 714 -3.733 8.892 -9.244 1.00 75.22 H new ATOM 0 HE2 TYR A 714 0.221 7.413 -9.790 1.00 3.14 H new ATOM 0 HH TYR A 714 -0.416 9.365 -10.531 1.00 0.01 H new ATOM 1956 N ASN A 715 -2.943 1.280 -8.327 1.00 64.14 N ATOM 1957 CA ASN A 715 -2.816 -0.049 -7.739 1.00 1.24 C ATOM 1958 C ASN A 715 -1.433 -0.298 -7.215 1.00 62.00 C ATOM 1959 O ASN A 715 -0.427 0.047 -7.863 1.00 64.42 O ATOM 1960 CB ASN A 715 -3.158 -1.150 -8.741 1.00 33.42 C ATOM 1961 CG ASN A 715 -4.643 -1.413 -8.917 1.00 1.12 C ATOM 1962 OD1 ASN A 715 -5.314 -0.778 -9.741 1.00 3.32 O ATOM 1963 ND2 ASN A 715 -5.167 -2.386 -8.174 1.00 13.14 N ATOM 0 H ASN A 715 -2.552 1.365 -9.265 1.00 64.14 H new ATOM 0 HA ASN A 715 -3.527 -0.077 -6.913 1.00 1.24 H new ATOM 0 HB2 ASN A 715 -2.733 -0.885 -9.709 1.00 33.42 H new ATOM 0 HB3 ASN A 715 -2.675 -2.074 -8.423 1.00 33.42 H new ATOM 0 HD21 ASN A 715 -6.152 -2.630 -8.274 1.00 13.14 H new ATOM 0 HD22 ASN A 715 -4.583 -2.888 -7.505 1.00 13.14 H new ATOM 1969 N PHE A 716 -1.376 -0.874 -6.041 1.00 75.45 N ATOM 1970 CA PHE A 716 -0.136 -1.289 -5.443 1.00 35.43 C ATOM 1971 C PHE A 716 -0.196 -2.750 -5.117 1.00 24.43 C ATOM 1972 O PHE A 716 -1.223 -3.251 -4.707 1.00 35.14 O ATOM 1973 CB PHE A 716 0.203 -0.475 -4.190 1.00 10.21 C ATOM 1974 CG PHE A 716 0.509 0.957 -4.481 1.00 60.53 C ATOM 1975 CD1 PHE A 716 -0.496 1.902 -4.581 1.00 31.40 C ATOM 1976 CD2 PHE A 716 1.814 1.353 -4.675 1.00 31.12 C ATOM 1977 CE1 PHE A 716 -0.197 3.216 -4.868 1.00 72.44 C ATOM 1978 CE2 PHE A 716 2.116 2.658 -4.963 1.00 75.44 C ATOM 1979 CZ PHE A 716 1.116 3.589 -5.059 1.00 62.00 C ATOM 0 H PHE A 716 -2.198 -1.069 -5.469 1.00 75.45 H new ATOM 0 HA PHE A 716 0.659 -1.108 -6.166 1.00 35.43 H new ATOM 0 HB2 PHE A 716 -0.635 -0.526 -3.494 1.00 10.21 H new ATOM 0 HB3 PHE A 716 1.060 -0.928 -3.691 1.00 10.21 H new ATOM 0 HD1 PHE A 716 -1.524 1.607 -4.433 1.00 31.40 H new ATOM 0 HD2 PHE A 716 2.609 0.626 -4.599 1.00 31.12 H new ATOM 0 HE1 PHE A 716 -0.987 3.949 -4.943 1.00 72.44 H new ATOM 0 HE2 PHE A 716 3.144 2.953 -5.115 1.00 75.44 H new ATOM 0 HZ PHE A 716 1.357 4.617 -5.285 1.00 62.00 H new ATOM 1989 N ARG A 717 0.888 -3.412 -5.311 1.00 61.32 N ATOM 1990 CA ARG A 717 1.005 -4.818 -5.054 1.00 13.32 C ATOM 1991 C ARG A 717 1.783 -5.022 -3.776 1.00 33.10 C ATOM 1992 O ARG A 717 2.920 -4.595 -3.664 1.00 3.22 O ATOM 1993 CB ARG A 717 1.680 -5.489 -6.249 1.00 70.10 C ATOM 1994 CG ARG A 717 2.030 -6.943 -6.062 1.00 14.42 C ATOM 1995 CD ARG A 717 2.497 -7.571 -7.373 1.00 15.45 C ATOM 1996 NE ARG A 717 3.625 -6.853 -7.986 1.00 24.31 N ATOM 1997 CZ ARG A 717 4.230 -7.227 -9.125 1.00 5.41 C ATOM 1998 NH1 ARG A 717 3.910 -8.381 -9.716 1.00 54.40 N ATOM 1999 NH2 ARG A 717 5.162 -6.452 -9.657 1.00 74.12 N ATOM 0 H ARG A 717 1.746 -2.987 -5.662 1.00 61.32 H new ATOM 0 HA ARG A 717 0.023 -5.273 -4.925 1.00 13.32 H new ATOM 0 HB2 ARG A 717 1.022 -5.400 -7.114 1.00 70.10 H new ATOM 0 HB3 ARG A 717 2.592 -4.941 -6.484 1.00 70.10 H new ATOM 0 HG2 ARG A 717 2.814 -7.037 -5.311 1.00 14.42 H new ATOM 0 HG3 ARG A 717 1.161 -7.483 -5.686 1.00 14.42 H new ATOM 0 HD2 ARG A 717 2.788 -8.605 -7.190 1.00 15.45 H new ATOM 0 HD3 ARG A 717 1.664 -7.594 -8.075 1.00 15.45 H new ATOM 0 HE ARG A 717 3.970 -6.017 -7.515 1.00 24.31 H new ATOM 0 HH11 ARG A 717 3.201 -8.986 -9.302 1.00 54.40 H new ATOM 0 HH12 ARG A 717 4.375 -8.657 -10.581 1.00 54.40 H new ATOM 0 HH21 ARG A 717 5.417 -5.576 -9.202 1.00 74.12 H new ATOM 0 HH22 ARG A 717 5.625 -6.731 -10.522 1.00 74.12 H new ATOM 2011 N TRP A 718 1.163 -5.640 -2.819 1.00 34.14 N ATOM 2012 CA TRP A 718 1.754 -5.820 -1.523 1.00 35.52 C ATOM 2013 C TRP A 718 2.025 -7.308 -1.293 1.00 50.32 C ATOM 2014 O TRP A 718 1.148 -8.138 -1.509 1.00 10.52 O ATOM 2015 CB TRP A 718 0.765 -5.306 -0.468 1.00 43.00 C ATOM 2016 CG TRP A 718 1.346 -5.080 0.890 1.00 72.10 C ATOM 2017 CD1 TRP A 718 1.912 -5.997 1.716 1.00 74.34 C ATOM 2018 CD2 TRP A 718 1.375 -3.842 1.591 1.00 12.31 C ATOM 2019 NE1 TRP A 718 2.314 -5.396 2.877 1.00 32.10 N ATOM 2020 CE2 TRP A 718 1.994 -4.077 2.825 1.00 53.23 C ATOM 2021 CE3 TRP A 718 0.944 -2.552 1.285 1.00 2.21 C ATOM 2022 CZ2 TRP A 718 2.192 -3.076 3.753 1.00 31.22 C ATOM 2023 CZ3 TRP A 718 1.140 -1.559 2.211 1.00 13.22 C ATOM 2024 CH2 TRP A 718 1.759 -1.825 3.427 1.00 51.05 C ATOM 0 H TRP A 718 0.228 -6.037 -2.912 1.00 34.14 H new ATOM 0 HA TRP A 718 2.694 -5.272 -1.454 1.00 35.52 H new ATOM 0 HB2 TRP A 718 0.334 -4.369 -0.822 1.00 43.00 H new ATOM 0 HB3 TRP A 718 -0.054 -6.021 -0.381 1.00 43.00 H new ATOM 0 HD1 TRP A 718 2.028 -7.047 1.490 1.00 74.34 H new ATOM 0 HE1 TRP A 718 2.779 -5.863 3.656 1.00 32.10 H new ATOM 0 HE3 TRP A 718 0.466 -2.339 0.340 1.00 2.21 H new ATOM 0 HZ2 TRP A 718 2.671 -3.275 4.700 1.00 31.22 H new ATOM 0 HZ3 TRP A 718 0.808 -0.555 1.992 1.00 13.22 H new ATOM 0 HH2 TRP A 718 1.901 -1.019 4.132 1.00 51.05 H new ATOM 2035 N TYR A 719 3.226 -7.639 -0.885 1.00 44.30 N ATOM 2036 CA TYR A 719 3.571 -9.012 -0.543 1.00 25.22 C ATOM 2037 C TYR A 719 3.683 -9.119 0.953 1.00 0.33 C ATOM 2038 O TYR A 719 4.609 -8.588 1.539 1.00 52.32 O ATOM 2039 CB TYR A 719 4.900 -9.427 -1.167 1.00 4.55 C ATOM 2040 CG TYR A 719 4.913 -9.429 -2.666 1.00 44.33 C ATOM 2041 CD1 TYR A 719 4.339 -10.472 -3.376 1.00 21.14 C ATOM 2042 CD2 TYR A 719 5.512 -8.402 -3.373 1.00 71.13 C ATOM 2043 CE1 TYR A 719 4.363 -10.493 -4.748 1.00 14.43 C ATOM 2044 CE2 TYR A 719 5.537 -8.413 -4.748 1.00 15.03 C ATOM 2045 CZ TYR A 719 4.964 -9.462 -5.429 1.00 64.34 C ATOM 2046 OH TYR A 719 4.998 -9.477 -6.793 1.00 12.03 O ATOM 0 H TYR A 719 3.993 -6.975 -0.779 1.00 44.30 H new ATOM 0 HA TYR A 719 2.793 -9.671 -0.928 1.00 25.22 H new ATOM 0 HB2 TYR A 719 5.679 -8.753 -0.811 1.00 4.55 H new ATOM 0 HB3 TYR A 719 5.156 -10.426 -0.813 1.00 4.55 H new ATOM 0 HD1 TYR A 719 3.865 -11.281 -2.841 1.00 21.14 H new ATOM 0 HD2 TYR A 719 5.966 -7.581 -2.838 1.00 71.13 H new ATOM 0 HE1 TYR A 719 3.913 -11.313 -5.288 1.00 14.43 H new ATOM 0 HE2 TYR A 719 6.003 -7.603 -5.290 1.00 15.03 H new ATOM 0 HH TYR A 719 5.458 -8.675 -7.118 1.00 12.03 H new ATOM 2056 N THR A 720 2.755 -9.781 1.573 1.00 65.42 N ATOM 2057 CA THR A 720 2.753 -9.858 3.004 1.00 51.33 C ATOM 2058 C THR A 720 2.360 -11.240 3.487 1.00 73.04 C ATOM 2059 O THR A 720 1.487 -11.895 2.904 1.00 23.43 O ATOM 2060 CB THR A 720 1.819 -8.783 3.627 1.00 22.13 C ATOM 2061 OG1 THR A 720 1.850 -8.855 5.060 1.00 31.31 O ATOM 2062 CG2 THR A 720 0.388 -8.951 3.134 1.00 23.43 C ATOM 0 H THR A 720 1.990 -10.275 1.113 1.00 65.42 H new ATOM 0 HA THR A 720 3.772 -9.660 3.335 1.00 51.33 H new ATOM 0 HB THR A 720 2.183 -7.805 3.313 1.00 22.13 H new ATOM 0 HG1 THR A 720 2.450 -8.163 5.409 1.00 31.31 H new ATOM 0 HG21 THR A 720 -0.244 -8.186 3.585 1.00 23.43 H new ATOM 0 HG22 THR A 720 0.363 -8.849 2.049 1.00 23.43 H new ATOM 0 HG23 THR A 720 0.020 -9.938 3.414 1.00 23.43 H new ATOM 2068 N SER A 721 3.016 -11.683 4.532 1.00 64.44 N ATOM 2069 CA SER A 721 2.719 -12.942 5.159 1.00 70.23 C ATOM 2070 C SER A 721 1.320 -12.895 5.811 1.00 3.45 C ATOM 2071 O SER A 721 0.662 -13.920 5.983 1.00 50.01 O ATOM 2072 CB SER A 721 3.790 -13.234 6.197 1.00 2.13 C ATOM 2073 OG SER A 721 5.066 -13.239 5.594 1.00 63.30 O ATOM 0 H SER A 721 3.780 -11.171 4.974 1.00 64.44 H new ATOM 0 HA SER A 721 2.713 -13.737 4.414 1.00 70.23 H new ATOM 0 HB2 SER A 721 3.756 -12.483 6.986 1.00 2.13 H new ATOM 0 HB3 SER A 721 3.598 -14.199 6.667 1.00 2.13 H new ATOM 0 HG SER A 721 5.748 -13.426 6.273 1.00 63.30 H new ATOM 2079 N TYR A 722 0.862 -11.682 6.134 1.00 75.14 N ATOM 2080 CA TYR A 722 -0.424 -11.476 6.774 1.00 73.25 C ATOM 2081 C TYR A 722 -1.590 -11.711 5.814 1.00 42.34 C ATOM 2082 O TYR A 722 -2.742 -11.775 6.232 1.00 20.30 O ATOM 2083 CB TYR A 722 -0.501 -10.086 7.393 1.00 55.42 C ATOM 2084 CG TYR A 722 0.511 -9.852 8.497 1.00 64.14 C ATOM 2085 CD1 TYR A 722 1.791 -9.389 8.215 1.00 43.12 C ATOM 2086 CD2 TYR A 722 0.181 -10.094 9.825 1.00 63.34 C ATOM 2087 CE1 TYR A 722 2.711 -9.175 9.218 1.00 71.33 C ATOM 2088 CE2 TYR A 722 1.099 -9.882 10.836 1.00 25.21 C ATOM 2089 CZ TYR A 722 2.362 -9.422 10.524 1.00 40.14 C ATOM 2090 OH TYR A 722 3.279 -9.211 11.525 1.00 54.03 O ATOM 0 H TYR A 722 1.378 -10.821 5.956 1.00 75.14 H new ATOM 0 HA TYR A 722 -0.511 -12.216 7.569 1.00 73.25 H new ATOM 0 HB2 TYR A 722 -0.351 -9.341 6.611 1.00 55.42 H new ATOM 0 HB3 TYR A 722 -1.503 -9.931 7.793 1.00 55.42 H new ATOM 0 HD1 TYR A 722 2.070 -9.193 7.190 1.00 43.12 H new ATOM 0 HD2 TYR A 722 -0.808 -10.453 10.071 1.00 63.34 H new ATOM 0 HE1 TYR A 722 3.701 -8.815 8.979 1.00 71.33 H new ATOM 0 HE2 TYR A 722 0.830 -10.075 11.864 1.00 25.21 H new ATOM 0 HH TYR A 722 2.875 -9.432 12.390 1.00 54.03 H new ATOM 2100 N ALA A 723 -1.289 -11.825 4.530 1.00 52.24 N ATOM 2101 CA ALA A 723 -2.309 -12.124 3.534 1.00 23.41 C ATOM 2102 C ALA A 723 -2.373 -13.626 3.314 1.00 62.33 C ATOM 2103 O ALA A 723 -3.121 -14.114 2.479 1.00 43.42 O ATOM 2104 CB ALA A 723 -2.012 -11.412 2.222 1.00 14.10 C ATOM 0 H ALA A 723 -0.348 -11.715 4.152 1.00 52.24 H new ATOM 0 HA ALA A 723 -3.272 -11.768 3.899 1.00 23.41 H new ATOM 0 HB1 ALA A 723 -2.788 -11.651 1.495 1.00 14.10 H new ATOM 0 HB2 ALA A 723 -1.991 -10.335 2.389 1.00 14.10 H new ATOM 0 HB3 ALA A 723 -1.044 -11.739 1.841 1.00 14.10 H new ATOM 2110 N CYS A 724 -1.587 -14.340 4.073 1.00 33.24 N ATOM 2111 CA CYS A 724 -1.527 -15.771 3.989 1.00 45.04 C ATOM 2112 C CYS A 724 -2.105 -16.379 5.267 1.00 21.00 C ATOM 2113 O CYS A 724 -1.997 -15.779 6.343 1.00 53.05 O ATOM 2114 CB CYS A 724 -0.072 -16.212 3.794 1.00 21.23 C ATOM 2115 SG CYS A 724 0.710 -15.524 2.296 1.00 41.52 S ATOM 0 H CYS A 724 -0.964 -13.939 4.774 1.00 33.24 H new ATOM 0 HA CYS A 724 -2.114 -16.117 3.138 1.00 45.04 H new ATOM 0 HB2 CYS A 724 0.509 -15.912 4.666 1.00 21.23 H new ATOM 0 HB3 CYS A 724 -0.035 -17.300 3.745 1.00 21.23 H new ATOM 2120 N PRO A 725 -2.764 -17.537 5.173 1.00 4.04 N ATOM 2121 CA PRO A 725 -3.320 -18.213 6.322 1.00 54.22 C ATOM 2122 C PRO A 725 -2.335 -19.231 6.917 1.00 40.01 C ATOM 2123 O PRO A 725 -1.573 -18.857 7.836 1.00 37.92 O ATOM 2124 CB PRO A 725 -4.554 -18.915 5.746 1.00 3.23 C ATOM 2125 CG PRO A 725 -4.298 -19.049 4.266 1.00 32.20 C ATOM 2126 CD PRO A 725 -3.046 -18.273 3.940 1.00 51.23 C ATOM 2127 OXT PRO A 725 -2.315 -20.409 6.459 1.00 37.92 O ATOM 0 HA PRO A 725 -3.550 -17.531 7.141 1.00 54.22 H new ATOM 0 HB2 PRO A 725 -4.699 -19.892 6.208 1.00 3.23 H new ATOM 0 HB3 PRO A 725 -5.457 -18.335 5.936 1.00 3.23 H new ATOM 0 HG2 PRO A 725 -4.179 -20.097 3.993 1.00 32.20 H new ATOM 0 HG3 PRO A 725 -5.144 -18.665 3.696 1.00 32.20 H new ATOM 0 HD2 PRO A 725 -2.223 -18.935 3.672 1.00 51.23 H new ATOM 0 HD3 PRO A 725 -3.201 -17.599 3.098 1.00 51.23 H new TER 2135 PRO A 725