USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 692 THR OG1 : rot -169:sc= 0.807 USER MOD Set 1.2: A 715 ASN : amide:sc= 0.441 X(o=1.2,f=1.2) USER MOD Set 2.1: A 644 GLN : amide:sc= 0.0586 K(o=-1.9,f=-2.6) USER MOD Set 2.2: A 679 TYR OH : rot 180:sc= -2.65! USER MOD Set 2.3: A 714 TYR OH : rot -30:sc= 0.688 USER MOD Set 3.1: A 663 SER OG : rot -130:sc= 0.968 USER MOD Set 3.2: A 672 THR OG1 : rot 112:sc= 1.16 USER MOD Set 4.1: A 640 SER OG : rot 40:sc= -0.143 USER MOD Set 4.2: A 654 ASN : amide:sc= -1.35! C(o=-1.5!,f=-6.3!) USER MOD Set 5.1: A 587 THR OG1 : rot 164:sc= 1.32 USER MOD Set 5.2: A 598 GLN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 591 ASN : amide:sc= -0.934 K(o=-0.93,f=-0.017) USER MOD Single : A 593 THR OG1 : rot -4:sc= 1.17 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 609 THR OG1 : rot 175:sc=-0.00201 USER MOD Single : A 610 LYS NZ :NH3+ -164:sc= -0.0297 (180deg=-0.292) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 29:sc= 1.22 USER MOD Single : A 615 LYS NZ :NH3+ -165:sc= 1.2 (180deg=1) USER MOD Single : A 618 THR OG1 : rot -53:sc= 1.57 USER MOD Single : A 620 LYS NZ :NH3+ -156:sc= 0.896 (180deg=0.524) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 0.278 K(o=0.28,f=-4.7!) USER MOD Single : A 626 ASN : amide:sc= 1.84 K(o=1.8,f=-7.2!) USER MOD Single : A 632 SER OG : rot 111:sc= 1.3 USER MOD Single : A 646 SER OG : rot 120:sc= 0.643 USER MOD Single : A 648 SER OG : rot 78:sc= 0.00234 USER MOD Single : A 651 LYS NZ :NH3+ 165:sc= 1.09 (180deg=0.434) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot -75:sc= 0.35 USER MOD Single : A 659 ASN : amide:sc= 0.51! K(o=0.51!,f=-0.12) USER MOD Single : A 661 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.23) USER MOD Single : A 664 TYR OH : rot -72:sc= 0.17 USER MOD Single : A 665 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 668 MET CE :methyl 176:sc= -0.498 (180deg=-0.552) USER MOD Single : A 670 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.6) USER MOD Single : A 673 TYR OH : rot -165:sc= 1.22 USER MOD Single : A 677 THR OG1 : rot -150:sc= 0.571 USER MOD Single : A 680 ASN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 681 ASN : amide:sc= 0.808 K(o=0.81,f=-5.7!) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 THR OG1 : rot 180:sc= 0 USER MOD Single : A 689 THR OG1 : rot -150:sc= -1.41 USER MOD Single : A 706 TYR OH : rot -132:sc= 0.565 USER MOD Single : A 707 GLN : amide:sc= -2.81 X(o=-2.8,f=-3!) USER MOD Single : A 711 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 712 SER OG : rot 180:sc= 0 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= 1.02 USER MOD Single : A 720 THR OG1 : rot 120:sc= 0.957 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 7.198 -17.950 22.821 1.00 33.50 N ATOM 2 CA GLU A 578 6.232 -17.005 22.291 1.00 33.32 C ATOM 3 C GLU A 578 6.916 -16.090 21.313 1.00 53.15 C ATOM 4 O GLU A 578 8.022 -15.600 21.575 1.00 32.02 O ATOM 5 CB GLU A 578 5.546 -16.166 23.405 1.00 14.04 C ATOM 6 CG GLU A 578 4.646 -16.945 24.374 1.00 0.40 C ATOM 7 CD GLU A 578 5.379 -17.959 25.203 1.00 12.43 C ATOM 8 OE1 GLU A 578 5.676 -19.046 24.687 1.00 12.23 O ATOM 9 OE2 GLU A 578 5.667 -17.692 26.373 1.00 51.24 O ATOM 0 HA GLU A 578 5.450 -17.578 21.794 1.00 33.32 H new ATOM 0 HB2 GLU A 578 6.321 -15.664 23.984 1.00 14.04 H new ATOM 0 HB3 GLU A 578 4.948 -15.388 22.931 1.00 14.04 H new ATOM 0 HG2 GLU A 578 4.147 -16.239 25.038 1.00 0.40 H new ATOM 0 HG3 GLU A 578 3.867 -17.451 23.804 1.00 0.40 H new ATOM 18 N ALA A 579 6.288 -15.864 20.192 1.00 13.31 N ATOM 19 CA ALA A 579 6.844 -14.994 19.196 1.00 61.02 C ATOM 20 C ALA A 579 6.579 -13.554 19.570 1.00 72.33 C ATOM 21 O ALA A 579 5.527 -12.998 19.255 1.00 65.41 O ATOM 22 CB ALA A 579 6.297 -15.314 17.814 1.00 71.54 C ATOM 0 H ALA A 579 5.387 -16.273 19.946 1.00 13.31 H new ATOM 0 HA ALA A 579 7.922 -15.153 19.158 1.00 61.02 H new ATOM 0 HB1 ALA A 579 6.738 -14.637 17.082 1.00 71.54 H new ATOM 0 HB2 ALA A 579 6.546 -16.343 17.553 1.00 71.54 H new ATOM 0 HB3 ALA A 579 5.214 -15.192 17.814 1.00 71.54 H new ATOM 28 N GLU A 580 7.497 -12.978 20.300 1.00 14.22 N ATOM 29 CA GLU A 580 7.386 -11.611 20.729 1.00 44.44 C ATOM 30 C GLU A 580 8.663 -10.875 20.400 1.00 34.34 C ATOM 31 O GLU A 580 9.704 -11.124 21.011 1.00 65.33 O ATOM 32 CB GLU A 580 7.083 -11.533 22.230 1.00 53.03 C ATOM 33 CG GLU A 580 5.784 -12.212 22.626 1.00 51.33 C ATOM 34 CD GLU A 580 5.464 -12.087 24.086 1.00 55.11 C ATOM 35 OE1 GLU A 580 4.979 -11.018 24.500 1.00 20.12 O ATOM 36 OE2 GLU A 580 5.654 -13.064 24.835 1.00 61.13 O ATOM 0 H GLU A 580 8.346 -13.447 20.615 1.00 14.22 H new ATOM 0 HA GLU A 580 6.558 -11.139 20.201 1.00 44.44 H new ATOM 0 HB2 GLU A 580 7.905 -11.990 22.782 1.00 53.03 H new ATOM 0 HB3 GLU A 580 7.041 -10.486 22.529 1.00 53.03 H new ATOM 0 HG2 GLU A 580 4.967 -11.783 22.045 1.00 51.33 H new ATOM 0 HG3 GLU A 580 5.841 -13.268 22.364 1.00 51.33 H new ATOM 43 N ALA A 581 8.597 -10.001 19.431 1.00 40.21 N ATOM 44 CA ALA A 581 9.754 -9.258 18.995 1.00 34.03 C ATOM 45 C ALA A 581 9.320 -7.987 18.316 1.00 50.43 C ATOM 46 O ALA A 581 8.177 -7.882 17.862 1.00 24.34 O ATOM 47 CB ALA A 581 10.592 -10.097 18.047 1.00 44.10 C ATOM 0 H ALA A 581 7.741 -9.783 18.921 1.00 40.21 H new ATOM 0 HA ALA A 581 10.360 -9.007 19.865 1.00 34.03 H new ATOM 0 HB1 ALA A 581 11.462 -9.524 17.726 1.00 44.10 H new ATOM 0 HB2 ALA A 581 10.922 -11.002 18.557 1.00 44.10 H new ATOM 0 HB3 ALA A 581 9.995 -10.368 17.176 1.00 44.10 H new ATOM 53 N GLU A 582 10.206 -7.032 18.246 1.00 24.24 N ATOM 54 CA GLU A 582 9.914 -5.768 17.628 1.00 24.24 C ATOM 55 C GLU A 582 11.052 -5.346 16.743 1.00 61.33 C ATOM 56 O GLU A 582 12.199 -5.751 16.973 1.00 61.13 O ATOM 57 CB GLU A 582 9.675 -4.692 18.676 1.00 74.21 C ATOM 58 CG GLU A 582 8.485 -4.929 19.572 1.00 53.12 C ATOM 59 CD GLU A 582 8.313 -3.817 20.542 1.00 71.10 C ATOM 60 OE1 GLU A 582 7.860 -2.728 20.130 1.00 51.43 O ATOM 61 OE2 GLU A 582 8.655 -3.990 21.730 1.00 50.15 O ATOM 0 H GLU A 582 11.153 -7.109 18.617 1.00 24.24 H new ATOM 0 HA GLU A 582 9.010 -5.890 17.032 1.00 24.24 H new ATOM 0 HB2 GLU A 582 10.567 -4.606 19.297 1.00 74.21 H new ATOM 0 HB3 GLU A 582 9.545 -3.735 18.170 1.00 74.21 H new ATOM 0 HG2 GLU A 582 7.584 -5.029 18.966 1.00 53.12 H new ATOM 0 HG3 GLU A 582 8.613 -5.868 20.110 1.00 53.12 H new ATOM 68 N PHE A 583 10.727 -4.519 15.740 1.00 32.53 N ATOM 69 CA PHE A 583 11.687 -3.950 14.776 1.00 71.04 C ATOM 70 C PHE A 583 12.323 -5.028 13.901 1.00 54.20 C ATOM 71 O PHE A 583 11.971 -5.183 12.719 1.00 0.24 O ATOM 72 CB PHE A 583 12.779 -3.120 15.478 1.00 34.44 C ATOM 73 CG PHE A 583 12.273 -1.955 16.288 1.00 10.15 C ATOM 74 CD1 PHE A 583 11.924 -2.121 17.616 1.00 22.43 C ATOM 75 CD2 PHE A 583 12.157 -0.702 15.727 1.00 14.55 C ATOM 76 CE1 PHE A 583 11.472 -1.064 18.367 1.00 33.42 C ATOM 77 CE2 PHE A 583 11.702 0.365 16.476 1.00 64.52 C ATOM 78 CZ PHE A 583 11.361 0.182 17.798 1.00 11.33 C ATOM 0 H PHE A 583 9.767 -4.218 15.570 1.00 32.53 H new ATOM 0 HA PHE A 583 11.116 -3.284 14.130 1.00 71.04 H new ATOM 0 HB2 PHE A 583 13.349 -3.778 16.134 1.00 34.44 H new ATOM 0 HB3 PHE A 583 13.470 -2.745 14.723 1.00 34.44 H new ATOM 0 HD1 PHE A 583 12.008 -3.098 18.070 1.00 22.43 H new ATOM 0 HD2 PHE A 583 12.425 -0.553 14.691 1.00 14.55 H new ATOM 0 HE1 PHE A 583 11.204 -1.212 19.403 1.00 33.42 H new ATOM 0 HE2 PHE A 583 11.614 1.343 16.026 1.00 64.52 H new ATOM 0 HZ PHE A 583 11.007 1.016 18.386 1.00 11.33 H new ATOM 88 N LEU A 584 13.222 -5.786 14.487 1.00 23.45 N ATOM 89 CA LEU A 584 13.910 -6.827 13.796 1.00 55.03 C ATOM 90 C LEU A 584 13.204 -8.158 13.962 1.00 21.11 C ATOM 91 O LEU A 584 13.603 -9.033 14.753 1.00 42.12 O ATOM 92 CB LEU A 584 15.445 -6.902 14.087 1.00 33.24 C ATOM 93 CG LEU A 584 15.939 -7.078 15.545 1.00 53.20 C ATOM 94 CD1 LEU A 584 17.433 -7.340 15.542 1.00 31.31 C ATOM 95 CD2 LEU A 584 15.663 -5.838 16.392 1.00 2.32 C ATOM 0 H LEU A 584 13.491 -5.688 15.466 1.00 23.45 H new ATOM 0 HA LEU A 584 13.865 -6.561 12.740 1.00 55.03 H new ATOM 0 HB2 LEU A 584 15.848 -7.730 13.504 1.00 33.24 H new ATOM 0 HB3 LEU A 584 15.896 -5.989 13.698 1.00 33.24 H new ATOM 0 HG LEU A 584 15.397 -7.919 15.978 1.00 53.20 H new ATOM 0 HD11 LEU A 584 17.783 -7.464 16.567 1.00 31.31 H new ATOM 0 HD12 LEU A 584 17.642 -8.247 14.975 1.00 31.31 H new ATOM 0 HD13 LEU A 584 17.949 -6.497 15.082 1.00 31.31 H new ATOM 0 HD21 LEU A 584 16.025 -6.003 17.407 1.00 2.32 H new ATOM 0 HD22 LEU A 584 16.177 -4.980 15.959 1.00 2.32 H new ATOM 0 HD23 LEU A 584 14.590 -5.645 16.416 1.00 2.32 H new ATOM 103 N SER A 585 12.098 -8.241 13.281 1.00 44.12 N ATOM 104 CA SER A 585 11.245 -9.398 13.241 1.00 45.51 C ATOM 105 C SER A 585 10.372 -9.292 12.000 1.00 35.41 C ATOM 106 O SER A 585 9.344 -9.966 11.862 1.00 23.32 O ATOM 107 CB SER A 585 10.387 -9.419 14.506 1.00 22.44 C ATOM 108 OG SER A 585 9.697 -8.186 14.674 1.00 51.54 O ATOM 0 H SER A 585 11.749 -7.470 12.712 1.00 44.12 H new ATOM 0 HA SER A 585 11.826 -10.320 13.199 1.00 45.51 H new ATOM 0 HB2 SER A 585 9.669 -10.237 14.449 1.00 22.44 H new ATOM 0 HB3 SER A 585 11.018 -9.608 15.375 1.00 22.44 H new ATOM 0 HG SER A 585 9.153 -8.224 15.489 1.00 51.54 H new ATOM 114 N ARG A 586 10.817 -8.452 11.082 1.00 52.25 N ATOM 115 CA ARG A 586 10.072 -8.154 9.904 1.00 51.44 C ATOM 116 C ARG A 586 10.732 -8.821 8.711 1.00 2.53 C ATOM 117 O ARG A 586 11.857 -8.487 8.354 1.00 64.43 O ATOM 118 CB ARG A 586 10.054 -6.646 9.679 1.00 34.11 C ATOM 119 CG ARG A 586 9.111 -6.201 8.581 1.00 73.13 C ATOM 120 CD ARG A 586 9.295 -4.731 8.253 1.00 21.22 C ATOM 121 NE ARG A 586 10.581 -4.481 7.572 1.00 72.24 N ATOM 122 CZ ARG A 586 11.065 -3.271 7.278 1.00 53.42 C ATOM 123 NH1 ARG A 586 10.410 -2.175 7.666 1.00 21.01 N ATOM 124 NH2 ARG A 586 12.194 -3.152 6.582 1.00 52.21 N ATOM 0 H ARG A 586 11.710 -7.963 11.147 1.00 52.25 H new ATOM 0 HA ARG A 586 9.052 -8.521 10.019 1.00 51.44 H new ATOM 0 HB2 ARG A 586 9.771 -6.153 10.609 1.00 34.11 H new ATOM 0 HB3 ARG A 586 11.063 -6.313 9.435 1.00 34.11 H new ATOM 0 HG2 ARG A 586 9.284 -6.799 7.686 1.00 73.13 H new ATOM 0 HG3 ARG A 586 8.081 -6.380 8.890 1.00 73.13 H new ATOM 0 HD2 ARG A 586 8.475 -4.394 7.618 1.00 21.22 H new ATOM 0 HD3 ARG A 586 9.249 -4.145 9.171 1.00 21.22 H new ATOM 0 HE ARG A 586 11.141 -5.291 7.307 1.00 72.24 H new ATOM 0 HH11 ARG A 586 9.538 -2.260 8.188 1.00 21.01 H new ATOM 0 HH12 ARG A 586 10.781 -1.252 7.440 1.00 21.01 H new ATOM 0 HH21 ARG A 586 12.692 -3.986 6.272 1.00 52.21 H new ATOM 0 HH22 ARG A 586 12.561 -2.227 6.359 1.00 52.21 H new ATOM 136 N THR A 587 10.059 -9.742 8.115 1.00 72.03 N ATOM 137 CA THR A 587 10.573 -10.413 6.952 1.00 4.41 C ATOM 138 C THR A 587 10.161 -9.621 5.702 1.00 22.51 C ATOM 139 O THR A 587 8.986 -9.443 5.451 1.00 72.15 O ATOM 140 CB THR A 587 10.007 -11.839 6.880 1.00 1.14 C ATOM 141 OG1 THR A 587 10.246 -12.505 8.141 1.00 75.13 O ATOM 142 CG2 THR A 587 10.690 -12.621 5.783 1.00 31.21 C ATOM 0 H THR A 587 9.136 -10.058 8.413 1.00 72.03 H new ATOM 0 HA THR A 587 11.660 -10.472 7.009 1.00 4.41 H new ATOM 0 HB THR A 587 8.939 -11.785 6.671 1.00 1.14 H new ATOM 0 HG1 THR A 587 9.677 -13.300 8.204 1.00 75.13 H new ATOM 0 HG21 THR A 587 10.278 -13.629 5.744 1.00 31.21 H new ATOM 0 HG22 THR A 587 10.526 -12.125 4.826 1.00 31.21 H new ATOM 0 HG23 THR A 587 11.760 -12.674 5.985 1.00 31.21 H new ATOM 148 N GLU A 588 11.122 -9.124 4.957 1.00 14.25 N ATOM 149 CA GLU A 588 10.819 -8.308 3.788 1.00 30.13 C ATOM 150 C GLU A 588 11.085 -9.041 2.472 1.00 10.32 C ATOM 151 O GLU A 588 12.142 -9.658 2.284 1.00 44.43 O ATOM 152 CB GLU A 588 11.530 -6.943 3.869 1.00 3.03 C ATOM 153 CG GLU A 588 13.041 -7.011 4.068 1.00 41.22 C ATOM 154 CD GLU A 588 13.652 -5.646 4.299 1.00 61.02 C ATOM 155 OE1 GLU A 588 13.534 -5.126 5.426 1.00 73.11 O ATOM 156 OE2 GLU A 588 14.249 -5.066 3.370 1.00 0.32 O ATOM 0 H GLU A 588 12.117 -9.265 5.132 1.00 14.25 H new ATOM 0 HA GLU A 588 9.747 -8.113 3.795 1.00 30.13 H new ATOM 0 HB2 GLU A 588 11.324 -6.389 2.953 1.00 3.03 H new ATOM 0 HB3 GLU A 588 11.096 -6.373 4.691 1.00 3.03 H new ATOM 0 HG2 GLU A 588 13.265 -7.655 4.918 1.00 41.22 H new ATOM 0 HG3 GLU A 588 13.500 -7.469 3.192 1.00 41.22 H new ATOM 163 N GLY A 589 10.112 -8.978 1.583 1.00 71.45 N ATOM 164 CA GLY A 589 10.197 -9.630 0.298 1.00 45.02 C ATOM 165 C GLY A 589 10.215 -8.623 -0.832 1.00 40.21 C ATOM 166 O GLY A 589 10.526 -7.460 -0.614 1.00 24.42 O ATOM 0 H GLY A 589 9.240 -8.471 1.736 1.00 71.45 H new ATOM 0 HA2 GLY A 589 11.099 -10.241 0.257 1.00 45.02 H new ATOM 0 HA3 GLY A 589 9.349 -10.304 0.173 1.00 45.02 H new ATOM 170 N ASP A 590 9.844 -9.053 -2.022 1.00 23.42 N ATOM 171 CA ASP A 590 9.897 -8.198 -3.206 1.00 13.21 C ATOM 172 C ASP A 590 8.834 -8.610 -4.223 1.00 52.41 C ATOM 173 O ASP A 590 8.312 -9.717 -4.157 1.00 12.44 O ATOM 174 CB ASP A 590 11.314 -8.248 -3.821 1.00 11.12 C ATOM 175 CG ASP A 590 11.454 -7.479 -5.122 1.00 40.33 C ATOM 176 OD1 ASP A 590 11.209 -6.244 -5.136 1.00 60.42 O ATOM 177 OD2 ASP A 590 11.782 -8.098 -6.141 1.00 11.33 O ATOM 0 H ASP A 590 9.499 -9.996 -2.202 1.00 23.42 H new ATOM 0 HA ASP A 590 9.683 -7.170 -2.912 1.00 13.21 H new ATOM 0 HB2 ASP A 590 12.026 -7.850 -3.098 1.00 11.12 H new ATOM 0 HB3 ASP A 590 11.586 -9.289 -3.996 1.00 11.12 H new ATOM 182 N ASN A 591 8.509 -7.691 -5.130 1.00 62.23 N ATOM 183 CA ASN A 591 7.519 -7.885 -6.217 1.00 2.00 C ATOM 184 C ASN A 591 6.174 -8.399 -5.745 1.00 62.32 C ATOM 185 O ASN A 591 5.804 -9.536 -6.035 1.00 61.04 O ATOM 186 CB ASN A 591 8.052 -8.744 -7.387 1.00 55.43 C ATOM 187 CG ASN A 591 9.208 -8.117 -8.154 1.00 52.40 C ATOM 188 OD1 ASN A 591 10.081 -8.830 -8.658 1.00 42.13 O ATOM 189 ND2 ASN A 591 9.209 -6.805 -8.297 1.00 42.35 N ATOM 0 H ASN A 591 8.931 -6.763 -5.140 1.00 62.23 H new ATOM 0 HA ASN A 591 7.354 -6.877 -6.597 1.00 2.00 H new ATOM 0 HB2 ASN A 591 8.373 -9.709 -6.996 1.00 55.43 H new ATOM 0 HB3 ASN A 591 7.234 -8.938 -8.081 1.00 55.43 H new ATOM 0 HD21 ASN A 591 9.946 -6.351 -8.837 1.00 42.35 H new ATOM 0 HD22 ASN A 591 8.473 -6.245 -7.868 1.00 42.35 H new ATOM 195 N CYS A 592 5.479 -7.582 -4.946 1.00 10.01 N ATOM 196 CA CYS A 592 4.105 -7.877 -4.474 1.00 13.44 C ATOM 197 C CYS A 592 4.004 -9.153 -3.651 1.00 60.23 C ATOM 198 O CYS A 592 2.890 -9.634 -3.366 1.00 63.33 O ATOM 199 CB CYS A 592 3.130 -7.948 -5.643 1.00 33.13 C ATOM 200 SG CYS A 592 2.908 -6.389 -6.538 1.00 30.35 S ATOM 0 H CYS A 592 5.846 -6.694 -4.603 1.00 10.01 H new ATOM 0 HA CYS A 592 3.839 -7.049 -3.817 1.00 13.44 H new ATOM 0 HB2 CYS A 592 3.478 -8.707 -6.343 1.00 33.13 H new ATOM 0 HB3 CYS A 592 2.161 -8.279 -5.270 1.00 33.13 H new ATOM 205 N THR A 593 5.125 -9.681 -3.225 1.00 20.02 N ATOM 206 CA THR A 593 5.110 -10.878 -2.471 1.00 13.52 C ATOM 207 C THR A 593 5.985 -10.744 -1.261 1.00 21.41 C ATOM 208 O THR A 593 6.997 -10.028 -1.277 1.00 62.43 O ATOM 209 CB THR A 593 5.542 -12.126 -3.313 1.00 31.00 C ATOM 210 OG1 THR A 593 6.849 -11.935 -3.903 1.00 31.04 O ATOM 211 CG2 THR A 593 4.541 -12.433 -4.411 1.00 32.32 C ATOM 0 H THR A 593 6.051 -9.290 -3.395 1.00 20.02 H new ATOM 0 HA THR A 593 4.079 -11.042 -2.159 1.00 13.52 H new ATOM 0 HB THR A 593 5.579 -12.969 -2.623 1.00 31.00 H new ATOM 0 HG1 THR A 593 7.166 -11.028 -3.710 1.00 31.04 H new ATOM 0 HG21 THR A 593 4.874 -13.305 -4.974 1.00 32.32 H new ATOM 0 HG22 THR A 593 3.566 -12.638 -3.968 1.00 32.32 H new ATOM 0 HG23 THR A 593 4.462 -11.577 -5.081 1.00 32.32 H new ATOM 217 N VAL A 594 5.596 -11.403 -0.231 1.00 74.15 N ATOM 218 CA VAL A 594 6.344 -11.457 0.973 1.00 63.14 C ATOM 219 C VAL A 594 6.465 -12.893 1.401 1.00 54.02 C ATOM 220 O VAL A 594 5.472 -13.580 1.611 1.00 23.15 O ATOM 221 CB VAL A 594 5.756 -10.547 2.089 1.00 70.34 C ATOM 222 CG1 VAL A 594 4.270 -10.792 2.297 1.00 44.44 C ATOM 223 CG2 VAL A 594 6.509 -10.742 3.385 1.00 62.51 C ATOM 0 H VAL A 594 4.726 -11.934 -0.201 1.00 74.15 H new ATOM 0 HA VAL A 594 7.340 -11.056 0.788 1.00 63.14 H new ATOM 0 HB VAL A 594 5.875 -9.514 1.762 1.00 70.34 H new ATOM 0 HG11 VAL A 594 3.900 -10.136 3.085 1.00 44.44 H new ATOM 0 HG12 VAL A 594 3.734 -10.585 1.371 1.00 44.44 H new ATOM 0 HG13 VAL A 594 4.109 -11.831 2.585 1.00 44.44 H new ATOM 0 HG21 VAL A 594 6.083 -10.097 4.154 1.00 62.51 H new ATOM 0 HG22 VAL A 594 6.429 -11.783 3.699 1.00 62.51 H new ATOM 0 HG23 VAL A 594 7.559 -10.487 3.238 1.00 62.51 H new ATOM 229 N PHE A 595 7.664 -13.346 1.490 1.00 33.53 N ATOM 230 CA PHE A 595 7.940 -14.711 1.757 1.00 4.11 C ATOM 231 C PHE A 595 8.831 -14.853 2.950 1.00 32.32 C ATOM 232 O PHE A 595 9.802 -14.116 3.097 1.00 10.04 O ATOM 233 CB PHE A 595 8.555 -15.374 0.502 1.00 53.02 C ATOM 234 CG PHE A 595 9.779 -14.659 -0.045 1.00 13.40 C ATOM 235 CD1 PHE A 595 9.636 -13.575 -0.903 1.00 21.40 C ATOM 236 CD2 PHE A 595 11.056 -15.066 0.298 1.00 71.44 C ATOM 237 CE1 PHE A 595 10.739 -12.918 -1.402 1.00 71.53 C ATOM 238 CE2 PHE A 595 12.161 -14.411 -0.201 1.00 31.20 C ATOM 239 CZ PHE A 595 12.002 -13.335 -1.050 1.00 64.32 C ATOM 0 H PHE A 595 8.496 -12.767 1.377 1.00 33.53 H new ATOM 0 HA PHE A 595 7.007 -15.224 1.993 1.00 4.11 H new ATOM 0 HB2 PHE A 595 8.827 -16.401 0.744 1.00 53.02 H new ATOM 0 HB3 PHE A 595 7.796 -15.420 -0.279 1.00 53.02 H new ATOM 0 HD1 PHE A 595 8.647 -13.243 -1.182 1.00 21.40 H new ATOM 0 HD2 PHE A 595 11.188 -15.906 0.964 1.00 71.44 H new ATOM 0 HE1 PHE A 595 10.613 -12.077 -2.068 1.00 71.53 H new ATOM 0 HE2 PHE A 595 13.153 -14.740 0.073 1.00 31.20 H new ATOM 0 HZ PHE A 595 12.869 -12.820 -1.438 1.00 64.32 H new ATOM 249 N ASP A 596 8.488 -15.768 3.814 1.00 65.55 N ATOM 250 CA ASP A 596 9.292 -16.030 4.968 1.00 43.31 C ATOM 251 C ASP A 596 9.824 -17.432 4.824 1.00 40.42 C ATOM 252 O ASP A 596 9.061 -18.386 4.830 1.00 24.11 O ATOM 253 CB ASP A 596 8.408 -15.938 6.217 1.00 20.43 C ATOM 254 CG ASP A 596 9.177 -16.050 7.481 1.00 1.12 C ATOM 255 OD1 ASP A 596 9.580 -17.148 7.817 1.00 75.22 O ATOM 256 OD2 ASP A 596 9.393 -15.016 8.150 1.00 52.44 O ATOM 0 H ASP A 596 7.651 -16.346 3.737 1.00 65.55 H new ATOM 0 HA ASP A 596 10.109 -15.315 5.059 1.00 43.31 H new ATOM 0 HB2 ASP A 596 7.872 -14.989 6.207 1.00 20.43 H new ATOM 0 HB3 ASP A 596 7.658 -16.728 6.183 1.00 20.43 H new ATOM 261 N SER A 597 11.115 -17.544 4.652 1.00 5.03 N ATOM 262 CA SER A 597 11.804 -18.829 4.508 1.00 55.24 C ATOM 263 C SER A 597 11.851 -19.613 5.824 1.00 73.13 C ATOM 264 O SER A 597 12.012 -20.841 5.839 1.00 12.42 O ATOM 265 CB SER A 597 13.208 -18.586 3.965 1.00 25.40 C ATOM 266 OG SER A 597 13.136 -17.842 2.753 1.00 72.25 O ATOM 0 H SER A 597 11.740 -16.740 4.605 1.00 5.03 H new ATOM 0 HA SER A 597 11.241 -19.443 3.805 1.00 55.24 H new ATOM 0 HB2 SER A 597 13.803 -18.044 4.700 1.00 25.40 H new ATOM 0 HB3 SER A 597 13.709 -19.538 3.789 1.00 25.40 H new ATOM 0 HG SER A 597 14.041 -17.687 2.410 1.00 72.25 H new ATOM 272 N GLN A 598 11.683 -18.896 6.905 1.00 64.15 N ATOM 273 CA GLN A 598 11.843 -19.415 8.250 1.00 11.21 C ATOM 274 C GLN A 598 10.629 -20.251 8.628 1.00 2.31 C ATOM 275 O GLN A 598 10.758 -21.341 9.197 1.00 62.44 O ATOM 276 CB GLN A 598 12.000 -18.209 9.171 1.00 33.12 C ATOM 277 CG GLN A 598 13.155 -17.313 8.735 1.00 75.44 C ATOM 278 CD GLN A 598 12.994 -15.876 9.147 1.00 41.01 C ATOM 279 OE1 GLN A 598 13.424 -15.456 10.219 1.00 43.14 O ATOM 280 NE2 GLN A 598 12.364 -15.111 8.280 1.00 64.10 N ATOM 0 H GLN A 598 11.425 -17.910 6.880 1.00 64.15 H new ATOM 0 HA GLN A 598 12.715 -20.064 8.331 1.00 11.21 H new ATOM 0 HB2 GLN A 598 11.075 -17.633 9.177 1.00 33.12 H new ATOM 0 HB3 GLN A 598 12.170 -18.550 10.192 1.00 33.12 H new ATOM 0 HG2 GLN A 598 14.083 -17.701 9.156 1.00 75.44 H new ATOM 0 HG3 GLN A 598 13.252 -17.362 7.650 1.00 75.44 H new ATOM 0 HE21 GLN A 598 12.025 -15.506 7.403 1.00 64.10 H new ATOM 0 HE22 GLN A 598 12.215 -14.123 8.486 1.00 64.10 H new ATOM 288 N ALA A 599 9.455 -19.750 8.318 1.00 30.50 N ATOM 289 CA ALA A 599 8.249 -20.514 8.530 1.00 10.32 C ATOM 290 C ALA A 599 7.799 -21.179 7.233 1.00 31.12 C ATOM 291 O ALA A 599 7.022 -22.119 7.255 1.00 4.41 O ATOM 292 CB ALA A 599 7.156 -19.640 9.099 1.00 32.02 C ATOM 0 H ALA A 599 9.311 -18.822 7.920 1.00 30.50 H new ATOM 0 HA ALA A 599 8.463 -21.299 9.255 1.00 10.32 H new ATOM 0 HB1 ALA A 599 6.256 -20.236 9.251 1.00 32.02 H new ATOM 0 HB2 ALA A 599 7.482 -19.225 10.053 1.00 32.02 H new ATOM 0 HB3 ALA A 599 6.941 -18.828 8.404 1.00 32.02 H new ATOM 298 N GLY A 600 8.296 -20.681 6.109 1.00 34.51 N ATOM 299 CA GLY A 600 8.059 -21.337 4.822 1.00 10.34 C ATOM 300 C GLY A 600 6.762 -20.922 4.140 1.00 71.41 C ATOM 301 O GLY A 600 5.992 -21.770 3.696 1.00 13.44 O ATOM 0 H GLY A 600 8.861 -19.833 6.057 1.00 34.51 H new ATOM 0 HA2 GLY A 600 8.893 -21.117 4.156 1.00 10.34 H new ATOM 0 HA3 GLY A 600 8.048 -22.416 4.974 1.00 10.34 H new ATOM 305 N PHE A 601 6.519 -19.636 4.046 1.00 4.53 N ATOM 306 CA PHE A 601 5.306 -19.155 3.393 1.00 54.55 C ATOM 307 C PHE A 601 5.571 -17.973 2.500 1.00 41.35 C ATOM 308 O PHE A 601 6.622 -17.345 2.595 1.00 33.32 O ATOM 309 CB PHE A 601 4.212 -18.811 4.406 1.00 70.11 C ATOM 310 CG PHE A 601 4.588 -17.785 5.441 1.00 23.12 C ATOM 311 CD1 PHE A 601 4.650 -16.427 5.131 1.00 32.45 C ATOM 312 CD2 PHE A 601 4.855 -18.180 6.731 1.00 34.41 C ATOM 313 CE1 PHE A 601 4.976 -15.510 6.091 1.00 11.55 C ATOM 314 CE2 PHE A 601 5.183 -17.258 7.690 1.00 42.51 C ATOM 315 CZ PHE A 601 5.243 -15.931 7.373 1.00 22.54 C ATOM 0 H PHE A 601 7.132 -18.905 4.406 1.00 4.53 H new ATOM 0 HA PHE A 601 4.953 -19.977 2.770 1.00 54.55 H new ATOM 0 HB2 PHE A 601 3.338 -18.451 3.863 1.00 70.11 H new ATOM 0 HB3 PHE A 601 3.914 -19.726 4.918 1.00 70.11 H new ATOM 0 HD1 PHE A 601 4.439 -16.097 4.125 1.00 32.45 H new ATOM 0 HD2 PHE A 601 4.806 -19.227 6.991 1.00 34.41 H new ATOM 0 HE1 PHE A 601 5.024 -14.460 5.844 1.00 11.55 H new ATOM 0 HE2 PHE A 601 5.394 -17.581 8.699 1.00 42.51 H new ATOM 0 HZ PHE A 601 5.501 -15.208 8.133 1.00 22.54 H new ATOM 325 N SER A 602 4.640 -17.698 1.629 1.00 31.23 N ATOM 326 CA SER A 602 4.675 -16.536 0.790 1.00 44.54 C ATOM 327 C SER A 602 3.266 -15.973 0.649 1.00 25.03 C ATOM 328 O SER A 602 2.311 -16.726 0.478 1.00 10.52 O ATOM 329 CB SER A 602 5.277 -16.873 -0.584 1.00 32.10 C ATOM 330 OG SER A 602 4.556 -17.913 -1.208 1.00 73.34 O ATOM 0 H SER A 602 3.821 -18.287 1.481 1.00 31.23 H new ATOM 0 HA SER A 602 5.313 -15.781 1.249 1.00 44.54 H new ATOM 0 HB2 SER A 602 5.266 -15.986 -1.218 1.00 32.10 H new ATOM 0 HB3 SER A 602 6.320 -17.168 -0.466 1.00 32.10 H new ATOM 0 HG SER A 602 4.955 -18.110 -2.081 1.00 73.34 H new ATOM 336 N PHE A 603 3.132 -14.683 0.774 1.00 64.12 N ATOM 337 CA PHE A 603 1.860 -14.033 0.564 1.00 13.02 C ATOM 338 C PHE A 603 1.914 -13.141 -0.641 1.00 11.33 C ATOM 339 O PHE A 603 2.935 -12.480 -0.898 1.00 60.05 O ATOM 340 CB PHE A 603 1.367 -13.267 1.800 1.00 31.52 C ATOM 341 CG PHE A 603 0.939 -14.154 2.936 1.00 5.12 C ATOM 342 CD1 PHE A 603 -0.334 -14.703 2.947 1.00 74.51 C ATOM 343 CD2 PHE A 603 1.792 -14.433 3.986 1.00 3.21 C ATOM 344 CE1 PHE A 603 -0.745 -15.515 3.980 1.00 31.12 C ATOM 345 CE2 PHE A 603 1.384 -15.250 5.027 1.00 11.33 C ATOM 346 CZ PHE A 603 0.114 -15.790 5.022 1.00 72.12 C ATOM 0 H PHE A 603 3.893 -14.052 1.023 1.00 64.12 H new ATOM 0 HA PHE A 603 1.129 -14.822 0.384 1.00 13.02 H new ATOM 0 HB2 PHE A 603 2.162 -12.607 2.147 1.00 31.52 H new ATOM 0 HB3 PHE A 603 0.529 -12.633 1.512 1.00 31.52 H new ATOM 0 HD1 PHE A 603 -1.013 -14.491 2.134 1.00 74.51 H new ATOM 0 HD2 PHE A 603 2.786 -14.010 3.995 1.00 3.21 H new ATOM 0 HE1 PHE A 603 -1.740 -15.936 3.974 1.00 31.12 H new ATOM 0 HE2 PHE A 603 2.059 -15.464 5.842 1.00 11.33 H new ATOM 0 HZ PHE A 603 -0.206 -16.427 5.833 1.00 72.12 H new ATOM 356 N ASP A 604 0.829 -13.126 -1.367 1.00 2.51 N ATOM 357 CA ASP A 604 0.703 -12.365 -2.602 1.00 11.23 C ATOM 358 C ASP A 604 -0.335 -11.314 -2.435 1.00 13.13 C ATOM 359 O ASP A 604 -1.496 -11.622 -2.158 1.00 32.15 O ATOM 360 CB ASP A 604 0.266 -13.258 -3.787 1.00 22.32 C ATOM 361 CG ASP A 604 1.289 -14.265 -4.250 1.00 31.44 C ATOM 362 OD1 ASP A 604 1.486 -15.288 -3.566 1.00 74.42 O ATOM 363 OD2 ASP A 604 1.902 -14.047 -5.331 1.00 53.43 O ATOM 0 H ASP A 604 -0.012 -13.648 -1.121 1.00 2.51 H new ATOM 0 HA ASP A 604 1.682 -11.935 -2.815 1.00 11.23 H new ATOM 0 HB2 ASP A 604 -0.641 -13.791 -3.503 1.00 22.32 H new ATOM 0 HB3 ASP A 604 0.007 -12.615 -4.628 1.00 22.32 H new ATOM 368 N LEU A 605 0.039 -10.085 -2.584 1.00 64.05 N ATOM 369 CA LEU A 605 -0.938 -9.023 -2.526 1.00 2.23 C ATOM 370 C LEU A 605 -0.977 -8.309 -3.845 1.00 35.44 C ATOM 371 O LEU A 605 -1.503 -7.214 -3.954 1.00 71.42 O ATOM 372 CB LEU A 605 -0.678 -8.049 -1.387 1.00 25.43 C ATOM 373 CG LEU A 605 -0.632 -8.643 0.026 1.00 42.20 C ATOM 374 CD1 LEU A 605 -0.399 -7.552 1.036 1.00 4.24 C ATOM 375 CD2 LEU A 605 -1.914 -9.393 0.352 1.00 30.23 C ATOM 0 H LEU A 605 1.000 -9.784 -2.745 1.00 64.05 H new ATOM 0 HA LEU A 605 -1.910 -9.474 -2.324 1.00 2.23 H new ATOM 0 HB2 LEU A 605 0.271 -7.548 -1.577 1.00 25.43 H new ATOM 0 HB3 LEU A 605 -1.453 -7.283 -1.410 1.00 25.43 H new ATOM 0 HG LEU A 605 0.193 -9.354 0.067 1.00 42.20 H new ATOM 0 HD11 LEU A 605 -0.368 -7.983 2.037 1.00 4.24 H new ATOM 0 HD12 LEU A 605 0.549 -7.057 0.825 1.00 4.24 H new ATOM 0 HD13 LEU A 605 -1.209 -6.825 0.979 1.00 4.24 H new ATOM 0 HD21 LEU A 605 -1.850 -9.802 1.360 1.00 30.23 H new ATOM 0 HD22 LEU A 605 -2.761 -8.710 0.291 1.00 30.23 H new ATOM 0 HD23 LEU A 605 -2.051 -10.206 -0.361 1.00 30.23 H new ATOM 383 N THR A 606 -0.455 -8.985 -4.856 1.00 70.44 N ATOM 384 CA THR A 606 -0.425 -8.519 -6.217 1.00 54.53 C ATOM 385 C THR A 606 -1.816 -7.966 -6.691 1.00 45.12 C ATOM 386 O THR A 606 -1.867 -6.894 -7.300 1.00 61.22 O ATOM 387 CB THR A 606 0.009 -9.677 -7.125 1.00 45.40 C ATOM 388 OG1 THR A 606 1.139 -10.329 -6.519 1.00 53.10 O ATOM 389 CG2 THR A 606 0.424 -9.151 -8.482 1.00 71.15 C ATOM 0 H THR A 606 -0.028 -9.904 -4.739 1.00 70.44 H new ATOM 0 HA THR A 606 0.284 -7.693 -6.276 1.00 54.53 H new ATOM 0 HB THR A 606 -0.822 -10.371 -7.250 1.00 45.40 H new ATOM 0 HG1 THR A 606 1.429 -11.074 -7.086 1.00 53.10 H new ATOM 0 HG21 THR A 606 0.730 -9.983 -9.117 1.00 71.15 H new ATOM 0 HG22 THR A 606 -0.416 -8.632 -8.944 1.00 71.15 H new ATOM 0 HG23 THR A 606 1.258 -8.459 -8.364 1.00 71.15 H new ATOM 395 N PRO A 607 -2.976 -8.683 -6.410 1.00 42.44 N ATOM 396 CA PRO A 607 -4.316 -8.194 -6.798 1.00 32.22 C ATOM 397 C PRO A 607 -4.690 -6.837 -6.170 1.00 3.40 C ATOM 398 O PRO A 607 -5.606 -6.168 -6.647 1.00 50.23 O ATOM 399 CB PRO A 607 -5.272 -9.286 -6.278 1.00 62.44 C ATOM 400 CG PRO A 607 -4.484 -10.043 -5.269 1.00 22.35 C ATOM 401 CD PRO A 607 -3.076 -10.018 -5.760 1.00 34.14 C ATOM 0 HA PRO A 607 -4.363 -8.025 -7.874 1.00 32.22 H new ATOM 0 HB2 PRO A 607 -6.165 -8.848 -5.833 1.00 62.44 H new ATOM 0 HB3 PRO A 607 -5.605 -9.936 -7.087 1.00 62.44 H new ATOM 0 HG2 PRO A 607 -4.564 -9.584 -4.284 1.00 22.35 H new ATOM 0 HG3 PRO A 607 -4.848 -11.066 -5.174 1.00 22.35 H new ATOM 0 HD2 PRO A 607 -2.361 -10.125 -4.944 1.00 34.14 H new ATOM 0 HD3 PRO A 607 -2.879 -10.826 -6.464 1.00 34.14 H new ATOM 409 N LEU A 608 -3.984 -6.427 -5.121 1.00 40.34 N ATOM 410 CA LEU A 608 -4.305 -5.195 -4.448 1.00 23.54 C ATOM 411 C LEU A 608 -3.711 -4.001 -5.202 1.00 43.21 C ATOM 412 O LEU A 608 -4.159 -2.877 -5.035 1.00 41.21 O ATOM 413 CB LEU A 608 -3.734 -5.175 -3.029 1.00 31.33 C ATOM 414 CG LEU A 608 -4.042 -6.324 -2.078 1.00 11.33 C ATOM 415 CD1 LEU A 608 -3.525 -5.996 -0.690 1.00 55.50 C ATOM 416 CD2 LEU A 608 -5.499 -6.630 -2.021 1.00 31.03 C ATOM 0 H LEU A 608 -3.191 -6.934 -4.728 1.00 40.34 H new ATOM 0 HA LEU A 608 -5.392 -5.125 -4.413 1.00 23.54 H new ATOM 0 HB2 LEU A 608 -2.650 -5.104 -3.115 1.00 31.33 H new ATOM 0 HB3 LEU A 608 -4.077 -4.256 -2.552 1.00 31.33 H new ATOM 0 HG LEU A 608 -3.537 -7.212 -2.459 1.00 11.33 H new ATOM 0 HD11 LEU A 608 -3.748 -6.821 -0.014 1.00 55.50 H new ATOM 0 HD12 LEU A 608 -2.447 -5.842 -0.730 1.00 55.50 H new ATOM 0 HD13 LEU A 608 -4.008 -5.089 -0.327 1.00 55.50 H new ATOM 0 HD21 LEU A 608 -5.671 -7.456 -1.330 1.00 31.03 H new ATOM 0 HD22 LEU A 608 -6.042 -5.750 -1.677 1.00 31.03 H new ATOM 0 HD23 LEU A 608 -5.851 -6.908 -3.014 1.00 31.03 H new ATOM 424 N THR A 609 -2.707 -4.259 -6.009 1.00 63.24 N ATOM 425 CA THR A 609 -1.988 -3.222 -6.723 1.00 12.24 C ATOM 426 C THR A 609 -2.855 -2.569 -7.829 1.00 24.22 C ATOM 427 O THR A 609 -3.558 -3.259 -8.584 1.00 72.14 O ATOM 428 CB THR A 609 -0.699 -3.820 -7.328 1.00 42.02 C ATOM 429 OG1 THR A 609 0.030 -4.475 -6.278 1.00 1.24 O ATOM 430 CG2 THR A 609 0.181 -2.734 -7.937 1.00 43.43 C ATOM 0 H THR A 609 -2.362 -5.201 -6.191 1.00 63.24 H new ATOM 0 HA THR A 609 -1.733 -2.434 -6.014 1.00 12.24 H new ATOM 0 HB THR A 609 -0.972 -4.521 -8.117 1.00 42.02 H new ATOM 0 HG1 THR A 609 0.811 -4.930 -6.657 1.00 1.24 H new ATOM 0 HG21 THR A 609 1.081 -3.186 -8.355 1.00 43.43 H new ATOM 0 HG22 THR A 609 -0.368 -2.222 -8.727 1.00 43.43 H new ATOM 0 HG23 THR A 609 0.460 -2.017 -7.165 1.00 43.43 H new ATOM 436 N LYS A 610 -2.804 -1.244 -7.903 1.00 50.13 N ATOM 437 CA LYS A 610 -3.529 -0.487 -8.908 1.00 52.53 C ATOM 438 C LYS A 610 -2.585 0.357 -9.711 1.00 1.35 C ATOM 439 O LYS A 610 -1.658 0.933 -9.171 1.00 32.11 O ATOM 440 CB LYS A 610 -4.542 0.464 -8.285 1.00 43.42 C ATOM 441 CG LYS A 610 -5.726 -0.169 -7.600 1.00 42.13 C ATOM 442 CD LYS A 610 -6.712 0.917 -7.183 1.00 75.21 C ATOM 443 CE LYS A 610 -7.986 0.342 -6.594 1.00 12.34 C ATOM 444 NZ LYS A 610 -8.707 -0.502 -7.559 1.00 73.12 N ATOM 0 H LYS A 610 -2.257 -0.666 -7.265 1.00 50.13 H new ATOM 0 HA LYS A 610 -4.040 -1.221 -9.531 1.00 52.53 H new ATOM 0 HB2 LYS A 610 -4.022 1.089 -7.559 1.00 43.42 H new ATOM 0 HB3 LYS A 610 -4.914 1.126 -9.067 1.00 43.42 H new ATOM 0 HG2 LYS A 610 -6.212 -0.878 -8.271 1.00 42.13 H new ATOM 0 HG3 LYS A 610 -5.397 -0.731 -6.726 1.00 42.13 H new ATOM 0 HD2 LYS A 610 -6.239 1.572 -6.451 1.00 75.21 H new ATOM 0 HD3 LYS A 610 -6.960 1.532 -8.048 1.00 75.21 H new ATOM 0 HE2 LYS A 610 -7.743 -0.246 -5.709 1.00 12.34 H new ATOM 0 HE3 LYS A 610 -8.634 1.155 -6.268 1.00 12.34 H new ATOM 0 HZ1 LYS A 610 -9.682 -0.652 -7.229 1.00 73.12 H new ATOM 0 HZ2 LYS A 610 -8.724 -0.032 -8.487 1.00 73.12 H new ATOM 0 HZ3 LYS A 610 -8.226 -1.420 -7.645 1.00 73.12 H new ATOM 458 N LYS A 611 -2.828 0.460 -10.984 1.00 4.12 N ATOM 459 CA LYS A 611 -2.037 1.325 -11.825 1.00 52.22 C ATOM 460 C LYS A 611 -2.431 2.783 -11.605 1.00 54.41 C ATOM 461 O LYS A 611 -1.707 3.692 -11.985 1.00 55.12 O ATOM 462 CB LYS A 611 -2.134 0.933 -13.304 1.00 62.02 C ATOM 463 CG LYS A 611 -3.537 0.975 -13.895 1.00 12.30 C ATOM 464 CD LYS A 611 -3.535 0.535 -15.354 1.00 11.42 C ATOM 465 CE LYS A 611 -2.688 1.454 -16.225 1.00 13.12 C ATOM 466 NZ LYS A 611 -2.630 0.984 -17.622 1.00 0.54 N ATOM 0 H LYS A 611 -3.570 -0.044 -11.470 1.00 4.12 H new ATOM 0 HA LYS A 611 -0.992 1.205 -11.540 1.00 52.22 H new ATOM 0 HB2 LYS A 611 -1.493 1.598 -13.883 1.00 62.02 H new ATOM 0 HB3 LYS A 611 -1.737 -0.075 -13.423 1.00 62.02 H new ATOM 0 HG2 LYS A 611 -4.197 0.327 -13.318 1.00 12.30 H new ATOM 0 HG3 LYS A 611 -3.936 1.986 -13.818 1.00 12.30 H new ATOM 0 HD2 LYS A 611 -3.155 -0.484 -15.425 1.00 11.42 H new ATOM 0 HD3 LYS A 611 -4.558 0.520 -15.730 1.00 11.42 H new ATOM 0 HE2 LYS A 611 -3.100 2.463 -16.198 1.00 13.12 H new ATOM 0 HE3 LYS A 611 -1.678 1.511 -15.818 1.00 13.12 H new ATOM 0 HZ1 LYS A 611 -2.045 1.635 -18.183 1.00 0.54 H new ATOM 0 HZ2 LYS A 611 -2.213 0.032 -17.651 1.00 0.54 H new ATOM 0 HZ3 LYS A 611 -3.591 0.953 -18.018 1.00 0.54 H new ATOM 480 N ASP A 612 -3.592 2.989 -10.994 1.00 11.20 N ATOM 481 CA ASP A 612 -4.092 4.338 -10.696 1.00 1.30 C ATOM 482 C ASP A 612 -3.794 4.721 -9.259 1.00 42.42 C ATOM 483 O ASP A 612 -3.899 5.891 -8.885 1.00 23.44 O ATOM 484 CB ASP A 612 -5.599 4.436 -10.953 1.00 45.43 C ATOM 485 CG ASP A 612 -5.967 4.207 -12.396 1.00 41.30 C ATOM 486 OD1 ASP A 612 -5.920 5.175 -13.191 1.00 43.43 O ATOM 487 OD2 ASP A 612 -6.308 3.058 -12.761 1.00 52.04 O ATOM 0 H ASP A 612 -4.212 2.238 -10.691 1.00 11.20 H new ATOM 0 HA ASP A 612 -3.577 5.031 -11.361 1.00 1.30 H new ATOM 0 HB2 ASP A 612 -6.116 3.705 -10.332 1.00 45.43 H new ATOM 0 HB3 ASP A 612 -5.951 5.421 -10.646 1.00 45.43 H new ATOM 492 N ALA A 613 -3.411 3.717 -8.463 1.00 41.15 N ATOM 493 CA ALA A 613 -3.091 3.862 -7.030 1.00 64.34 C ATOM 494 C ALA A 613 -4.315 4.221 -6.162 1.00 34.30 C ATOM 495 O ALA A 613 -5.396 4.546 -6.664 1.00 11.51 O ATOM 496 CB ALA A 613 -1.946 4.846 -6.800 1.00 73.01 C ATOM 0 H ALA A 613 -3.311 2.759 -8.799 1.00 41.15 H new ATOM 0 HA ALA A 613 -2.761 2.876 -6.703 1.00 64.34 H new ATOM 0 HB1 ALA A 613 -1.742 4.924 -5.732 1.00 73.01 H new ATOM 0 HB2 ALA A 613 -1.053 4.492 -7.315 1.00 73.01 H new ATOM 0 HB3 ALA A 613 -2.225 5.826 -7.188 1.00 73.01 H new ATOM 502 N TYR A 614 -4.132 4.134 -4.873 1.00 72.30 N ATOM 503 CA TYR A 614 -5.165 4.434 -3.887 1.00 22.32 C ATOM 504 C TYR A 614 -4.960 5.793 -3.299 1.00 45.05 C ATOM 505 O TYR A 614 -3.827 6.188 -3.037 1.00 64.24 O ATOM 506 CB TYR A 614 -5.106 3.419 -2.738 1.00 40.34 C ATOM 507 CG TYR A 614 -5.482 2.027 -3.123 1.00 44.43 C ATOM 508 CD1 TYR A 614 -4.626 1.249 -3.874 1.00 73.33 C ATOM 509 CD2 TYR A 614 -6.699 1.488 -2.743 1.00 42.41 C ATOM 510 CE1 TYR A 614 -4.965 -0.014 -4.244 1.00 50.01 C ATOM 511 CE2 TYR A 614 -7.051 0.211 -3.104 1.00 75.31 C ATOM 512 CZ TYR A 614 -6.179 -0.534 -3.858 1.00 41.33 C ATOM 513 OH TYR A 614 -6.523 -1.796 -4.241 1.00 23.51 O ATOM 0 H TYR A 614 -3.246 3.847 -4.457 1.00 72.30 H new ATOM 0 HA TYR A 614 -6.128 4.388 -4.396 1.00 22.32 H new ATOM 0 HB2 TYR A 614 -4.095 3.409 -2.330 1.00 40.34 H new ATOM 0 HB3 TYR A 614 -5.769 3.754 -1.940 1.00 40.34 H new ATOM 0 HD1 TYR A 614 -3.669 1.651 -4.173 1.00 73.33 H new ATOM 0 HD2 TYR A 614 -7.382 2.081 -2.153 1.00 42.41 H new ATOM 0 HE1 TYR A 614 -4.285 -0.607 -4.838 1.00 50.01 H new ATOM 0 HE2 TYR A 614 -8.001 -0.202 -2.799 1.00 75.31 H new ATOM 0 HH TYR A 614 -5.713 -2.336 -4.352 1.00 23.51 H new ATOM 523 N LYS A 615 -6.029 6.513 -3.099 1.00 35.23 N ATOM 524 CA LYS A 615 -5.961 7.732 -2.405 1.00 15.04 C ATOM 525 C LYS A 615 -6.595 7.597 -1.059 1.00 4.21 C ATOM 526 O LYS A 615 -7.591 6.896 -0.890 1.00 74.23 O ATOM 527 CB LYS A 615 -6.612 8.848 -3.142 1.00 33.11 C ATOM 528 CG LYS A 615 -7.973 8.500 -3.662 1.00 25.31 C ATOM 529 CD LYS A 615 -8.854 9.697 -3.701 1.00 43.11 C ATOM 530 CE LYS A 615 -8.184 10.901 -4.348 1.00 32.32 C ATOM 531 NZ LYS A 615 -9.082 12.093 -4.390 1.00 32.41 N ATOM 0 H LYS A 615 -6.963 6.256 -3.419 1.00 35.23 H new ATOM 0 HA LYS A 615 -4.903 7.974 -2.302 1.00 15.04 H new ATOM 0 HB2 LYS A 615 -6.693 9.712 -2.482 1.00 33.11 H new ATOM 0 HB3 LYS A 615 -5.976 9.143 -3.977 1.00 33.11 H new ATOM 0 HG2 LYS A 615 -7.886 8.076 -4.662 1.00 25.31 H new ATOM 0 HG3 LYS A 615 -8.422 7.734 -3.030 1.00 25.31 H new ATOM 0 HD2 LYS A 615 -9.764 9.455 -4.250 1.00 43.11 H new ATOM 0 HD3 LYS A 615 -9.153 9.956 -2.685 1.00 43.11 H new ATOM 0 HE2 LYS A 615 -7.278 11.150 -3.796 1.00 32.32 H new ATOM 0 HE3 LYS A 615 -7.878 10.643 -5.362 1.00 32.32 H new ATOM 0 HZ1 LYS A 615 -8.694 12.797 -5.051 1.00 32.41 H new ATOM 0 HZ2 LYS A 615 -10.029 11.803 -4.709 1.00 32.41 H new ATOM 0 HZ3 LYS A 615 -9.149 12.511 -3.440 1.00 32.41 H new ATOM 545 N VAL A 616 -6.014 8.242 -0.130 1.00 0.32 N ATOM 546 CA VAL A 616 -6.491 8.267 1.221 1.00 44.43 C ATOM 547 C VAL A 616 -6.692 9.705 1.545 1.00 70.51 C ATOM 548 O VAL A 616 -5.753 10.470 1.516 1.00 0.13 O ATOM 549 CB VAL A 616 -5.441 7.689 2.214 1.00 22.30 C ATOM 550 CG1 VAL A 616 -5.992 7.643 3.633 1.00 73.22 C ATOM 551 CG2 VAL A 616 -4.959 6.322 1.775 1.00 23.33 C ATOM 0 H VAL A 616 -5.166 8.789 -0.276 1.00 0.32 H new ATOM 0 HA VAL A 616 -7.397 7.667 1.311 1.00 44.43 H new ATOM 0 HB VAL A 616 -4.582 8.360 2.209 1.00 22.30 H new ATOM 0 HG11 VAL A 616 -5.236 7.235 4.304 1.00 73.22 H new ATOM 0 HG12 VAL A 616 -6.256 8.651 3.954 1.00 73.22 H new ATOM 0 HG13 VAL A 616 -6.879 7.010 3.658 1.00 73.22 H new ATOM 0 HG21 VAL A 616 -4.227 5.947 2.490 1.00 23.33 H new ATOM 0 HG22 VAL A 616 -5.805 5.636 1.728 1.00 23.33 H new ATOM 0 HG23 VAL A 616 -4.498 6.398 0.790 1.00 23.33 H new ATOM 557 N GLU A 617 -7.874 10.085 1.835 1.00 11.22 N ATOM 558 CA GLU A 617 -8.142 11.465 2.080 1.00 25.24 C ATOM 559 C GLU A 617 -8.419 11.663 3.542 1.00 43.42 C ATOM 560 O GLU A 617 -9.203 10.927 4.135 1.00 14.41 O ATOM 561 CB GLU A 617 -9.314 11.919 1.209 1.00 2.43 C ATOM 562 CG GLU A 617 -9.074 11.629 -0.273 1.00 5.34 C ATOM 563 CD GLU A 617 -10.195 12.063 -1.170 1.00 42.02 C ATOM 564 OE1 GLU A 617 -11.262 11.448 -1.143 1.00 32.35 O ATOM 565 OE2 GLU A 617 -9.996 12.990 -1.965 1.00 15.31 O ATOM 0 H GLU A 617 -8.681 9.466 1.911 1.00 11.22 H new ATOM 0 HA GLU A 617 -7.278 12.075 1.817 1.00 25.24 H new ATOM 0 HB2 GLU A 617 -10.224 11.414 1.534 1.00 2.43 H new ATOM 0 HB3 GLU A 617 -9.476 12.988 1.347 1.00 2.43 H new ATOM 0 HG2 GLU A 617 -8.158 12.129 -0.586 1.00 5.34 H new ATOM 0 HG3 GLU A 617 -8.913 10.559 -0.402 1.00 5.34 H new ATOM 572 N THR A 618 -7.768 12.627 4.126 1.00 64.45 N ATOM 573 CA THR A 618 -7.927 12.898 5.526 1.00 3.42 C ATOM 574 C THR A 618 -8.181 14.371 5.719 1.00 70.25 C ATOM 575 O THR A 618 -8.277 15.119 4.734 1.00 13.21 O ATOM 576 CB THR A 618 -6.668 12.481 6.343 1.00 4.43 C ATOM 577 OG1 THR A 618 -5.501 13.192 5.877 1.00 22.01 O ATOM 578 CG2 THR A 618 -6.424 10.986 6.245 1.00 13.12 C ATOM 0 H THR A 618 -7.114 13.246 3.647 1.00 64.45 H new ATOM 0 HA THR A 618 -8.771 12.312 5.890 1.00 3.42 H new ATOM 0 HB THR A 618 -6.852 12.738 7.386 1.00 4.43 H new ATOM 0 HG1 THR A 618 -5.415 13.080 4.907 1.00 22.01 H new ATOM 0 HG21 THR A 618 -5.539 10.723 6.825 1.00 13.12 H new ATOM 0 HG22 THR A 618 -7.288 10.450 6.638 1.00 13.12 H new ATOM 0 HG23 THR A 618 -6.270 10.710 5.202 1.00 13.12 H new ATOM 584 N ASP A 619 -8.300 14.790 6.959 1.00 10.12 N ATOM 585 CA ASP A 619 -8.490 16.190 7.275 1.00 43.50 C ATOM 586 C ASP A 619 -7.203 16.958 7.064 1.00 73.24 C ATOM 587 O ASP A 619 -7.217 18.167 6.903 1.00 13.01 O ATOM 588 CB ASP A 619 -8.976 16.385 8.716 1.00 64.31 C ATOM 589 CG ASP A 619 -10.347 15.807 8.976 1.00 31.53 C ATOM 590 OD1 ASP A 619 -11.347 16.497 8.725 1.00 34.11 O ATOM 591 OD2 ASP A 619 -10.445 14.645 9.460 1.00 43.13 O ATOM 0 H ASP A 619 -8.268 14.176 7.773 1.00 10.12 H new ATOM 0 HA ASP A 619 -9.257 16.574 6.603 1.00 43.50 H new ATOM 0 HB2 ASP A 619 -8.261 15.923 9.397 1.00 64.31 H new ATOM 0 HB3 ASP A 619 -8.991 17.451 8.944 1.00 64.31 H new ATOM 596 N LYS A 620 -6.087 16.245 7.062 1.00 74.04 N ATOM 597 CA LYS A 620 -4.787 16.872 6.913 1.00 65.45 C ATOM 598 C LYS A 620 -4.365 16.880 5.437 1.00 14.33 C ATOM 599 O LYS A 620 -4.269 17.941 4.785 1.00 60.05 O ATOM 600 CB LYS A 620 -3.672 16.123 7.697 1.00 34.22 C ATOM 601 CG LYS A 620 -3.837 15.874 9.206 1.00 64.31 C ATOM 602 CD LYS A 620 -4.958 14.894 9.522 1.00 44.22 C ATOM 603 CE LYS A 620 -4.854 14.357 10.943 1.00 12.41 C ATOM 604 NZ LYS A 620 -4.883 15.409 11.987 1.00 62.21 N ATOM 0 H LYS A 620 -6.058 15.230 7.162 1.00 74.04 H new ATOM 0 HA LYS A 620 -4.894 17.882 7.308 1.00 65.45 H new ATOM 0 HB2 LYS A 620 -3.534 15.153 7.220 1.00 34.22 H new ATOM 0 HB3 LYS A 620 -2.746 16.681 7.558 1.00 34.22 H new ATOM 0 HG2 LYS A 620 -2.900 15.491 9.611 1.00 64.31 H new ATOM 0 HG3 LYS A 620 -4.037 16.821 9.706 1.00 64.31 H new ATOM 0 HD2 LYS A 620 -5.921 15.388 9.389 1.00 44.22 H new ATOM 0 HD3 LYS A 620 -4.925 14.064 8.816 1.00 44.22 H new ATOM 0 HE2 LYS A 620 -5.675 13.662 11.119 1.00 12.41 H new ATOM 0 HE3 LYS A 620 -3.929 13.789 11.039 1.00 12.41 H new ATOM 0 HZ1 LYS A 620 -4.418 15.057 12.848 1.00 62.21 H new ATOM 0 HZ2 LYS A 620 -4.382 16.253 11.643 1.00 62.21 H new ATOM 0 HZ3 LYS A 620 -5.870 15.656 12.203 1.00 62.21 H new ATOM 618 N TYR A 621 -4.120 15.686 4.912 1.00 21.11 N ATOM 619 CA TYR A 621 -3.577 15.531 3.567 1.00 21.34 C ATOM 620 C TYR A 621 -4.375 14.471 2.827 1.00 53.31 C ATOM 621 O TYR A 621 -5.337 13.906 3.360 1.00 72.23 O ATOM 622 CB TYR A 621 -2.130 14.972 3.643 1.00 4.55 C ATOM 623 CG TYR A 621 -1.230 15.542 4.721 1.00 33.10 C ATOM 624 CD1 TYR A 621 -0.512 16.704 4.535 1.00 3.03 C ATOM 625 CD2 TYR A 621 -1.099 14.882 5.935 1.00 71.35 C ATOM 626 CE1 TYR A 621 0.312 17.195 5.530 1.00 41.25 C ATOM 627 CE2 TYR A 621 -0.283 15.363 6.926 1.00 42.01 C ATOM 628 CZ TYR A 621 0.419 16.519 6.721 1.00 71.11 C ATOM 629 OH TYR A 621 1.240 17.004 7.713 1.00 71.32 O ATOM 0 H TYR A 621 -4.290 14.806 5.400 1.00 21.11 H new ATOM 0 HA TYR A 621 -3.612 16.502 3.073 1.00 21.34 H new ATOM 0 HB2 TYR A 621 -2.190 13.893 3.787 1.00 4.55 H new ATOM 0 HB3 TYR A 621 -1.651 15.139 2.678 1.00 4.55 H new ATOM 0 HD1 TYR A 621 -0.594 17.238 3.600 1.00 3.03 H new ATOM 0 HD2 TYR A 621 -1.652 13.970 6.103 1.00 71.35 H new ATOM 0 HE1 TYR A 621 0.869 18.106 5.372 1.00 41.25 H new ATOM 0 HE2 TYR A 621 -0.195 14.833 7.863 1.00 42.01 H new ATOM 0 HH TYR A 621 1.201 16.409 8.490 1.00 71.32 H new ATOM 639 N GLU A 622 -3.981 14.211 1.618 1.00 53.44 N ATOM 640 CA GLU A 622 -4.434 13.063 0.914 1.00 64.40 C ATOM 641 C GLU A 622 -3.229 12.284 0.484 1.00 4.12 C ATOM 642 O GLU A 622 -2.269 12.843 -0.044 1.00 43.13 O ATOM 643 CB GLU A 622 -5.358 13.350 -0.267 1.00 60.12 C ATOM 644 CG GLU A 622 -4.790 14.209 -1.363 1.00 11.35 C ATOM 645 CD GLU A 622 -5.716 14.251 -2.538 1.00 63.31 C ATOM 646 OE1 GLU A 622 -6.700 15.012 -2.503 1.00 4.12 O ATOM 647 OE2 GLU A 622 -5.480 13.502 -3.508 1.00 33.34 O ATOM 0 H GLU A 622 -3.332 14.797 1.093 1.00 53.44 H new ATOM 0 HA GLU A 622 -5.060 12.488 1.597 1.00 64.40 H new ATOM 0 HB2 GLU A 622 -5.664 12.398 -0.702 1.00 60.12 H new ATOM 0 HB3 GLU A 622 -6.259 13.831 0.113 1.00 60.12 H new ATOM 0 HG2 GLU A 622 -4.623 15.219 -0.990 1.00 11.35 H new ATOM 0 HG3 GLU A 622 -3.820 13.819 -1.672 1.00 11.35 H new ATOM 654 N PHE A 623 -3.260 11.031 0.709 1.00 12.21 N ATOM 655 CA PHE A 623 -2.132 10.202 0.434 1.00 3.43 C ATOM 656 C PHE A 623 -2.432 9.346 -0.737 1.00 74.34 C ATOM 657 O PHE A 623 -3.566 8.967 -0.949 1.00 34.35 O ATOM 658 CB PHE A 623 -1.822 9.313 1.641 1.00 74.35 C ATOM 659 CG PHE A 623 -1.549 10.073 2.905 1.00 3.20 C ATOM 660 CD1 PHE A 623 -2.592 10.492 3.721 1.00 71.32 C ATOM 661 CD2 PHE A 623 -0.256 10.367 3.281 1.00 60.42 C ATOM 662 CE1 PHE A 623 -2.342 11.189 4.876 1.00 31.41 C ATOM 663 CE2 PHE A 623 -0.002 11.063 4.439 1.00 21.13 C ATOM 664 CZ PHE A 623 -1.044 11.474 5.237 1.00 72.34 C ATOM 0 H PHE A 623 -4.067 10.537 1.091 1.00 12.21 H new ATOM 0 HA PHE A 623 -1.268 10.833 0.226 1.00 3.43 H new ATOM 0 HB2 PHE A 623 -2.663 8.640 1.809 1.00 74.35 H new ATOM 0 HB3 PHE A 623 -0.957 8.692 1.409 1.00 74.35 H new ATOM 0 HD1 PHE A 623 -3.611 10.267 3.443 1.00 71.32 H new ATOM 0 HD2 PHE A 623 0.567 10.047 2.659 1.00 60.42 H new ATOM 0 HE1 PHE A 623 -3.161 11.513 5.501 1.00 31.41 H new ATOM 0 HE2 PHE A 623 1.016 11.287 4.722 1.00 21.13 H new ATOM 0 HZ PHE A 623 -0.844 12.020 6.147 1.00 72.34 H new ATOM 674 N HIS A 624 -1.455 9.095 -1.525 1.00 34.42 N ATOM 675 CA HIS A 624 -1.603 8.197 -2.617 1.00 41.02 C ATOM 676 C HIS A 624 -0.631 7.081 -2.424 1.00 44.05 C ATOM 677 O HIS A 624 0.581 7.310 -2.345 1.00 25.53 O ATOM 678 CB HIS A 624 -1.427 8.901 -3.966 1.00 52.22 C ATOM 679 CG HIS A 624 -2.502 9.924 -4.262 1.00 65.25 C ATOM 680 ND1 HIS A 624 -3.554 9.682 -5.114 1.00 24.42 N ATOM 681 CD2 HIS A 624 -2.674 11.201 -3.820 1.00 71.44 C ATOM 682 CE1 HIS A 624 -4.320 10.748 -5.185 1.00 64.33 C ATOM 683 NE2 HIS A 624 -3.813 11.680 -4.411 1.00 44.31 N ATOM 0 H HIS A 624 -0.526 9.505 -1.435 1.00 34.42 H new ATOM 0 HA HIS A 624 -2.617 7.797 -2.637 1.00 41.02 H new ATOM 0 HB2 HIS A 624 -0.454 9.393 -3.985 1.00 52.22 H new ATOM 0 HB3 HIS A 624 -1.422 8.153 -4.759 1.00 52.22 H new ATOM 0 HD2 HIS A 624 -2.033 11.735 -3.133 1.00 71.44 H new ATOM 0 HE1 HIS A 624 -5.216 10.842 -5.780 1.00 64.33 H new ATOM 0 HE2 HIS A 624 -4.205 12.611 -4.272 1.00 44.31 H new ATOM 692 N ILE A 625 -1.162 5.888 -2.312 1.00 1.14 N ATOM 693 CA ILE A 625 -0.381 4.715 -1.997 1.00 11.11 C ATOM 694 C ILE A 625 -0.706 3.629 -2.995 1.00 14.05 C ATOM 695 O ILE A 625 -1.826 3.560 -3.506 1.00 53.53 O ATOM 696 CB ILE A 625 -0.753 4.176 -0.582 1.00 61.30 C ATOM 697 CG1 ILE A 625 -0.680 5.290 0.457 1.00 72.34 C ATOM 698 CG2 ILE A 625 0.165 3.017 -0.177 1.00 65.20 C ATOM 699 CD1 ILE A 625 -1.048 4.842 1.842 1.00 44.21 C ATOM 0 H ILE A 625 -2.157 5.701 -2.438 1.00 1.14 H new ATOM 0 HA ILE A 625 0.675 4.983 -2.027 1.00 11.11 H new ATOM 0 HB ILE A 625 -1.777 3.806 -0.626 1.00 61.30 H new ATOM 0 HG12 ILE A 625 0.331 5.697 0.472 1.00 72.34 H new ATOM 0 HG13 ILE A 625 -1.345 6.100 0.157 1.00 72.34 H new ATOM 0 HG21 ILE A 625 -0.116 2.660 0.814 1.00 65.20 H new ATOM 0 HG22 ILE A 625 0.065 2.205 -0.897 1.00 65.20 H new ATOM 0 HG23 ILE A 625 1.199 3.361 -0.159 1.00 65.20 H new ATOM 0 HD11 ILE A 625 -0.974 5.685 2.529 1.00 44.21 H new ATOM 0 HD12 ILE A 625 -2.070 4.462 1.842 1.00 44.21 H new ATOM 0 HD13 ILE A 625 -0.368 4.053 2.162 1.00 44.21 H new ATOM 706 N ASN A 626 0.247 2.813 -3.285 1.00 14.23 N ATOM 707 CA ASN A 626 0.037 1.698 -4.141 1.00 31.12 C ATOM 708 C ASN A 626 0.722 0.537 -3.495 1.00 52.54 C ATOM 709 O ASN A 626 1.659 0.741 -2.744 1.00 74.43 O ATOM 710 CB ASN A 626 0.561 1.982 -5.544 1.00 0.11 C ATOM 711 CG ASN A 626 0.091 0.980 -6.560 1.00 41.13 C ATOM 712 OD1 ASN A 626 -0.936 0.305 -6.368 1.00 23.53 O ATOM 713 ND2 ASN A 626 0.760 0.935 -7.667 1.00 33.04 N ATOM 0 H ASN A 626 1.200 2.901 -2.933 1.00 14.23 H new ATOM 0 HA ASN A 626 -1.024 1.481 -4.268 1.00 31.12 H new ATOM 0 HB2 ASN A 626 0.242 2.978 -5.850 1.00 0.11 H new ATOM 0 HB3 ASN A 626 1.651 1.988 -5.525 1.00 0.11 H new ATOM 0 HD21 ASN A 626 0.450 0.328 -8.426 1.00 33.04 H new ATOM 0 HD22 ASN A 626 1.597 1.506 -7.781 1.00 33.04 H new ATOM 719 N VAL A 627 0.249 -0.650 -3.734 1.00 33.35 N ATOM 720 CA VAL A 627 0.754 -1.827 -3.038 1.00 13.25 C ATOM 721 C VAL A 627 2.155 -2.222 -3.498 1.00 22.01 C ATOM 722 O VAL A 627 2.949 -2.782 -2.743 1.00 34.50 O ATOM 723 CB VAL A 627 -0.240 -2.997 -3.165 1.00 45.02 C ATOM 724 CG1 VAL A 627 0.243 -4.238 -2.415 1.00 32.12 C ATOM 725 CG2 VAL A 627 -1.577 -2.545 -2.632 1.00 55.31 C ATOM 0 H VAL A 627 -0.491 -0.844 -4.408 1.00 33.35 H new ATOM 0 HA VAL A 627 0.845 -1.569 -1.983 1.00 13.25 H new ATOM 0 HB VAL A 627 -0.325 -3.277 -4.215 1.00 45.02 H new ATOM 0 HG11 VAL A 627 -0.487 -5.040 -2.530 1.00 32.12 H new ATOM 0 HG12 VAL A 627 1.202 -4.559 -2.822 1.00 32.12 H new ATOM 0 HG13 VAL A 627 0.359 -4.002 -1.357 1.00 32.12 H new ATOM 0 HG21 VAL A 627 -2.296 -3.360 -2.713 1.00 55.31 H new ATOM 0 HG22 VAL A 627 -1.473 -2.256 -1.586 1.00 55.31 H new ATOM 0 HG23 VAL A 627 -1.930 -1.691 -3.211 1.00 55.31 H new ATOM 731 N CYS A 628 2.449 -1.904 -4.700 1.00 24.30 N ATOM 732 CA CYS A 628 3.712 -2.219 -5.277 1.00 42.22 C ATOM 733 C CYS A 628 4.117 -1.138 -6.233 1.00 14.45 C ATOM 734 O CYS A 628 3.273 -0.574 -6.941 1.00 13.43 O ATOM 735 CB CYS A 628 3.636 -3.523 -6.057 1.00 72.44 C ATOM 736 SG CYS A 628 3.158 -4.988 -5.106 1.00 62.31 S ATOM 0 H CYS A 628 1.814 -1.410 -5.327 1.00 24.30 H new ATOM 0 HA CYS A 628 4.436 -2.312 -4.468 1.00 42.22 H new ATOM 0 HB2 CYS A 628 2.924 -3.395 -6.872 1.00 72.44 H new ATOM 0 HB3 CYS A 628 4.610 -3.710 -6.510 1.00 72.44 H new ATOM 741 N GLY A 629 5.387 -0.861 -6.262 1.00 3.50 N ATOM 742 CA GLY A 629 5.928 0.028 -7.236 1.00 50.43 C ATOM 743 C GLY A 629 5.580 1.462 -6.965 1.00 13.41 C ATOM 744 O GLY A 629 5.658 1.911 -5.822 1.00 65.33 O ATOM 0 H GLY A 629 6.072 -1.246 -5.611 1.00 3.50 H new ATOM 0 HA2 GLY A 629 7.012 -0.081 -7.259 1.00 50.43 H new ATOM 0 HA3 GLY A 629 5.558 -0.251 -8.223 1.00 50.43 H new ATOM 748 N PRO A 630 5.236 2.219 -7.997 1.00 4.02 N ATOM 749 CA PRO A 630 4.890 3.606 -7.862 1.00 41.34 C ATOM 750 C PRO A 630 3.386 3.858 -7.783 1.00 34.41 C ATOM 751 O PRO A 630 2.562 2.963 -8.018 1.00 1.13 O ATOM 752 CB PRO A 630 5.435 4.186 -9.155 1.00 63.31 C ATOM 753 CG PRO A 630 5.238 3.099 -10.173 1.00 61.35 C ATOM 754 CD PRO A 630 5.187 1.791 -9.412 1.00 74.33 C ATOM 0 HA PRO A 630 5.286 4.037 -6.942 1.00 41.34 H new ATOM 0 HB2 PRO A 630 4.902 5.094 -9.437 1.00 63.31 H new ATOM 0 HB3 PRO A 630 6.488 4.451 -9.057 1.00 63.31 H new ATOM 0 HG2 PRO A 630 4.316 3.256 -10.733 1.00 61.35 H new ATOM 0 HG3 PRO A 630 6.054 3.094 -10.896 1.00 61.35 H new ATOM 0 HD2 PRO A 630 4.277 1.233 -9.632 1.00 74.33 H new ATOM 0 HD3 PRO A 630 6.027 1.145 -9.666 1.00 74.33 H new ATOM 762 N VAL A 631 3.048 5.074 -7.466 1.00 75.54 N ATOM 763 CA VAL A 631 1.687 5.524 -7.446 1.00 10.15 C ATOM 764 C VAL A 631 1.483 6.464 -8.599 1.00 52.42 C ATOM 765 O VAL A 631 2.439 7.115 -9.058 1.00 43.20 O ATOM 766 CB VAL A 631 1.332 6.293 -6.132 1.00 1.35 C ATOM 767 CG1 VAL A 631 1.498 5.413 -4.945 1.00 62.21 C ATOM 768 CG2 VAL A 631 2.168 7.562 -5.960 1.00 43.14 C ATOM 0 H VAL A 631 3.723 5.794 -7.209 1.00 75.54 H new ATOM 0 HA VAL A 631 1.046 4.645 -7.510 1.00 10.15 H new ATOM 0 HB VAL A 631 0.287 6.593 -6.215 1.00 1.35 H new ATOM 0 HG11 VAL A 631 1.246 5.969 -4.042 1.00 62.21 H new ATOM 0 HG12 VAL A 631 0.838 4.550 -5.037 1.00 62.21 H new ATOM 0 HG13 VAL A 631 2.532 5.074 -4.885 1.00 62.21 H new ATOM 0 HG21 VAL A 631 1.885 8.061 -5.033 1.00 43.14 H new ATOM 0 HG22 VAL A 631 3.225 7.299 -5.922 1.00 43.14 H new ATOM 0 HG23 VAL A 631 1.990 8.232 -6.802 1.00 43.14 H new ATOM 774 N SER A 632 0.300 6.511 -9.114 1.00 62.22 N ATOM 775 CA SER A 632 0.027 7.459 -10.149 1.00 12.03 C ATOM 776 C SER A 632 -0.714 8.652 -9.569 1.00 0.02 C ATOM 777 O SER A 632 -1.747 8.498 -8.903 1.00 5.42 O ATOM 778 CB SER A 632 -0.760 6.789 -11.251 1.00 74.03 C ATOM 779 OG SER A 632 -0.029 5.667 -11.744 1.00 63.12 O ATOM 0 H SER A 632 -0.483 5.916 -8.843 1.00 62.22 H new ATOM 0 HA SER A 632 0.960 7.825 -10.578 1.00 12.03 H new ATOM 0 HB2 SER A 632 -1.731 6.467 -10.875 1.00 74.03 H new ATOM 0 HB3 SER A 632 -0.950 7.496 -12.059 1.00 74.03 H new ATOM 0 HG SER A 632 -0.491 4.840 -11.494 1.00 63.12 H new ATOM 785 N VAL A 633 -0.177 9.836 -9.815 1.00 5.44 N ATOM 786 CA VAL A 633 -0.728 11.084 -9.299 1.00 24.31 C ATOM 787 C VAL A 633 -0.336 12.193 -10.248 1.00 62.52 C ATOM 788 O VAL A 633 0.841 12.286 -10.636 1.00 24.01 O ATOM 789 CB VAL A 633 -0.119 11.479 -7.897 1.00 44.15 C ATOM 790 CG1 VAL A 633 -0.774 12.734 -7.330 1.00 52.43 C ATOM 791 CG2 VAL A 633 -0.177 10.355 -6.887 1.00 55.24 C ATOM 0 H VAL A 633 0.661 9.962 -10.383 1.00 5.44 H new ATOM 0 HA VAL A 633 -1.805 10.949 -9.200 1.00 24.31 H new ATOM 0 HB VAL A 633 0.934 11.689 -8.084 1.00 44.15 H new ATOM 0 HG11 VAL A 633 -0.328 12.973 -6.365 1.00 52.43 H new ATOM 0 HG12 VAL A 633 -0.621 13.566 -8.017 1.00 52.43 H new ATOM 0 HG13 VAL A 633 -1.843 12.561 -7.203 1.00 52.43 H new ATOM 0 HG21 VAL A 633 0.257 10.690 -5.945 1.00 55.24 H new ATOM 0 HG22 VAL A 633 -1.215 10.064 -6.726 1.00 55.24 H new ATOM 0 HG23 VAL A 633 0.385 9.500 -7.262 1.00 55.24 H new ATOM 797 N GLY A 634 -1.270 13.041 -10.604 1.00 14.14 N ATOM 798 CA GLY A 634 -0.952 14.184 -11.432 1.00 43.01 C ATOM 799 C GLY A 634 -0.361 15.314 -10.598 1.00 52.12 C ATOM 800 O GLY A 634 -0.874 16.433 -10.607 1.00 34.54 O ATOM 0 H GLY A 634 -2.251 12.964 -10.337 1.00 14.14 H new ATOM 0 HA2 GLY A 634 -0.244 13.891 -12.207 1.00 43.01 H new ATOM 0 HA3 GLY A 634 -1.852 14.533 -11.938 1.00 43.01 H new ATOM 804 N ALA A 635 0.713 14.998 -9.870 1.00 42.21 N ATOM 805 CA ALA A 635 1.404 15.939 -8.971 1.00 74.14 C ATOM 806 C ALA A 635 2.636 15.289 -8.341 1.00 53.24 C ATOM 807 O ALA A 635 3.472 15.975 -7.745 1.00 72.40 O ATOM 808 CB ALA A 635 0.476 16.428 -7.855 1.00 23.40 C ATOM 0 H ALA A 635 1.136 14.070 -9.885 1.00 42.21 H new ATOM 0 HA ALA A 635 1.712 16.791 -9.578 1.00 74.14 H new ATOM 0 HB1 ALA A 635 1.017 17.120 -7.210 1.00 23.40 H new ATOM 0 HB2 ALA A 635 -0.383 16.936 -8.293 1.00 23.40 H new ATOM 0 HB3 ALA A 635 0.134 15.576 -7.267 1.00 23.40 H new ATOM 814 N CYS A 636 2.752 13.974 -8.467 1.00 63.23 N ATOM 815 CA CYS A 636 3.848 13.251 -7.879 1.00 12.32 C ATOM 816 C CYS A 636 4.549 12.449 -8.964 1.00 55.53 C ATOM 817 O CYS A 636 3.921 12.081 -9.954 1.00 44.13 O ATOM 818 CB CYS A 636 3.335 12.306 -6.775 1.00 42.33 C ATOM 819 SG CYS A 636 2.392 13.139 -5.449 1.00 65.34 S ATOM 0 H CYS A 636 2.089 13.391 -8.978 1.00 63.23 H new ATOM 0 HA CYS A 636 4.548 13.956 -7.431 1.00 12.32 H new ATOM 0 HB2 CYS A 636 2.703 11.544 -7.230 1.00 42.33 H new ATOM 0 HB3 CYS A 636 4.186 11.790 -6.330 1.00 42.33 H new ATOM 824 N PRO A 637 5.856 12.209 -8.820 1.00 43.00 N ATOM 825 CA PRO A 637 6.639 11.433 -9.789 1.00 40.22 C ATOM 826 C PRO A 637 6.152 9.983 -9.904 1.00 42.43 C ATOM 827 O PRO A 637 5.675 9.397 -8.924 1.00 53.44 O ATOM 828 CB PRO A 637 8.054 11.430 -9.192 1.00 24.51 C ATOM 829 CG PRO A 637 8.073 12.549 -8.225 1.00 51.13 C ATOM 830 CD PRO A 637 6.681 12.682 -7.708 1.00 31.30 C ATOM 0 HA PRO A 637 6.567 11.862 -10.788 1.00 40.22 H new ATOM 0 HB2 PRO A 637 8.271 10.482 -8.700 1.00 24.51 H new ATOM 0 HB3 PRO A 637 8.808 11.567 -9.967 1.00 24.51 H new ATOM 0 HG2 PRO A 637 8.772 12.348 -7.413 1.00 51.13 H new ATOM 0 HG3 PRO A 637 8.399 13.472 -8.705 1.00 51.13 H new ATOM 0 HD2 PRO A 637 6.527 12.082 -6.811 1.00 31.30 H new ATOM 0 HD3 PRO A 637 6.447 13.714 -7.446 1.00 31.30 H new ATOM 838 N PRO A 638 6.315 9.367 -11.088 1.00 61.31 N ATOM 839 CA PRO A 638 5.927 7.967 -11.328 1.00 21.44 C ATOM 840 C PRO A 638 6.972 6.997 -10.757 1.00 12.30 C ATOM 841 O PRO A 638 7.067 5.844 -11.162 1.00 5.25 O ATOM 842 CB PRO A 638 5.907 7.886 -12.853 1.00 60.03 C ATOM 843 CG PRO A 638 6.958 8.844 -13.279 1.00 0.32 C ATOM 844 CD PRO A 638 6.891 9.986 -12.306 1.00 32.55 C ATOM 0 HA PRO A 638 4.982 7.697 -10.857 1.00 21.44 H new ATOM 0 HB2 PRO A 638 6.123 6.876 -13.202 1.00 60.03 H new ATOM 0 HB3 PRO A 638 4.931 8.160 -13.254 1.00 60.03 H new ATOM 0 HG2 PRO A 638 7.942 8.376 -13.265 1.00 0.32 H new ATOM 0 HG3 PRO A 638 6.783 9.188 -14.298 1.00 0.32 H new ATOM 0 HD2 PRO A 638 7.877 10.408 -12.114 1.00 32.55 H new ATOM 0 HD3 PRO A 638 6.265 10.796 -12.680 1.00 32.55 H new ATOM 852 N ASP A 639 7.746 7.494 -9.821 1.00 25.43 N ATOM 853 CA ASP A 639 8.771 6.728 -9.137 1.00 32.34 C ATOM 854 C ASP A 639 8.569 6.850 -7.653 1.00 10.01 C ATOM 855 O ASP A 639 9.392 6.414 -6.853 1.00 25.32 O ATOM 856 CB ASP A 639 10.164 7.223 -9.511 1.00 52.32 C ATOM 857 CG ASP A 639 10.475 7.043 -10.967 1.00 42.32 C ATOM 858 OD1 ASP A 639 10.189 7.954 -11.761 1.00 3.41 O ATOM 859 OD2 ASP A 639 11.020 5.979 -11.340 1.00 31.23 O ATOM 0 H ASP A 639 7.682 8.462 -9.504 1.00 25.43 H new ATOM 0 HA ASP A 639 8.690 5.684 -9.440 1.00 32.34 H new ATOM 0 HB2 ASP A 639 10.250 8.279 -9.254 1.00 52.32 H new ATOM 0 HB3 ASP A 639 10.906 6.689 -8.917 1.00 52.32 H new ATOM 864 N SER A 640 7.473 7.442 -7.289 1.00 14.20 N ATOM 865 CA SER A 640 7.111 7.587 -5.919 1.00 74.42 C ATOM 866 C SER A 640 6.086 6.515 -5.614 1.00 33.23 C ATOM 867 O SER A 640 5.117 6.377 -6.350 1.00 3.21 O ATOM 868 CB SER A 640 6.509 8.987 -5.695 1.00 22.02 C ATOM 869 OG SER A 640 6.105 9.189 -4.350 1.00 43.11 O ATOM 0 H SER A 640 6.800 7.841 -7.944 1.00 14.20 H new ATOM 0 HA SER A 640 7.976 7.482 -5.265 1.00 74.42 H new ATOM 0 HB2 SER A 640 7.243 9.744 -5.969 1.00 22.02 H new ATOM 0 HB3 SER A 640 5.651 9.121 -6.354 1.00 22.02 H new ATOM 0 HG SER A 640 6.767 8.792 -3.746 1.00 43.11 H new ATOM 875 N GLY A 641 6.309 5.740 -4.580 1.00 61.34 N ATOM 876 CA GLY A 641 5.362 4.706 -4.226 1.00 24.10 C ATOM 877 C GLY A 641 4.440 5.144 -3.123 1.00 73.50 C ATOM 878 O GLY A 641 3.502 4.432 -2.760 1.00 20.13 O ATOM 0 H GLY A 641 7.127 5.802 -3.974 1.00 61.34 H new ATOM 0 HA2 GLY A 641 4.775 4.435 -5.104 1.00 24.10 H new ATOM 0 HA3 GLY A 641 5.901 3.811 -3.915 1.00 24.10 H new ATOM 882 N ALA A 642 4.720 6.300 -2.577 1.00 53.35 N ATOM 883 CA ALA A 642 3.884 6.909 -1.583 1.00 42.14 C ATOM 884 C ALA A 642 4.072 8.414 -1.654 1.00 44.40 C ATOM 885 O ALA A 642 5.198 8.915 -1.520 1.00 0.44 O ATOM 886 CB ALA A 642 4.238 6.390 -0.196 1.00 13.40 C ATOM 0 H ALA A 642 5.546 6.849 -2.816 1.00 53.35 H new ATOM 0 HA ALA A 642 2.840 6.658 -1.773 1.00 42.14 H new ATOM 0 HB1 ALA A 642 3.594 6.863 0.545 1.00 13.40 H new ATOM 0 HB2 ALA A 642 4.095 5.310 -0.164 1.00 13.40 H new ATOM 0 HB3 ALA A 642 5.279 6.625 0.026 1.00 13.40 H new ATOM 892 N CYS A 643 2.996 9.135 -1.852 1.00 63.02 N ATOM 893 CA CYS A 643 3.076 10.583 -1.991 1.00 25.00 C ATOM 894 C CYS A 643 1.851 11.246 -1.364 1.00 33.05 C ATOM 895 O CYS A 643 0.722 10.765 -1.539 1.00 0.35 O ATOM 896 CB CYS A 643 3.206 10.970 -3.468 1.00 21.51 C ATOM 897 SG CYS A 643 3.460 12.757 -3.769 1.00 31.54 S ATOM 0 H CYS A 643 2.053 8.752 -1.922 1.00 63.02 H new ATOM 0 HA CYS A 643 3.963 10.936 -1.465 1.00 25.00 H new ATOM 0 HB2 CYS A 643 4.041 10.420 -3.902 1.00 21.51 H new ATOM 0 HB3 CYS A 643 2.306 10.651 -3.994 1.00 21.51 H new ATOM 902 N GLN A 644 2.070 12.319 -0.614 1.00 35.01 N ATOM 903 CA GLN A 644 0.991 13.011 0.057 1.00 53.33 C ATOM 904 C GLN A 644 0.798 14.393 -0.496 1.00 31.22 C ATOM 905 O GLN A 644 1.766 15.151 -0.691 1.00 51.22 O ATOM 906 CB GLN A 644 1.192 13.079 1.594 1.00 14.10 C ATOM 907 CG GLN A 644 2.489 13.746 2.060 1.00 20.41 C ATOM 908 CD GLN A 644 2.602 13.826 3.582 1.00 30.43 C ATOM 909 OE1 GLN A 644 1.612 13.924 4.283 1.00 24.21 O ATOM 910 NE2 GLN A 644 3.810 13.780 4.093 1.00 33.23 N ATOM 0 H GLN A 644 2.992 12.726 -0.458 1.00 35.01 H new ATOM 0 HA GLN A 644 0.092 12.425 -0.134 1.00 53.33 H new ATOM 0 HB2 GLN A 644 0.350 13.617 2.030 1.00 14.10 H new ATOM 0 HB3 GLN A 644 1.162 12.065 1.992 1.00 14.10 H new ATOM 0 HG2 GLN A 644 3.340 13.190 1.666 1.00 20.41 H new ATOM 0 HG3 GLN A 644 2.545 14.752 1.643 1.00 20.41 H new ATOM 0 HE21 GLN A 644 4.621 13.698 3.479 1.00 33.23 H new ATOM 0 HE22 GLN A 644 3.938 13.827 5.104 1.00 33.23 H new ATOM 918 N VAL A 645 -0.427 14.719 -0.759 1.00 12.33 N ATOM 919 CA VAL A 645 -0.780 16.020 -1.202 1.00 74.45 C ATOM 920 C VAL A 645 -1.528 16.665 -0.069 1.00 24.54 C ATOM 921 O VAL A 645 -2.559 16.160 0.368 1.00 51.35 O ATOM 922 CB VAL A 645 -1.682 15.977 -2.470 1.00 53.12 C ATOM 923 CG1 VAL A 645 -2.020 17.385 -2.947 1.00 52.14 C ATOM 924 CG2 VAL A 645 -1.018 15.175 -3.587 1.00 30.52 C ATOM 0 H VAL A 645 -1.216 14.079 -0.670 1.00 12.33 H new ATOM 0 HA VAL A 645 0.116 16.578 -1.474 1.00 74.45 H new ATOM 0 HB VAL A 645 -2.612 15.477 -2.200 1.00 53.12 H new ATOM 0 HG11 VAL A 645 -2.651 17.327 -3.834 1.00 52.14 H new ATOM 0 HG12 VAL A 645 -2.551 17.919 -2.159 1.00 52.14 H new ATOM 0 HG13 VAL A 645 -1.100 17.917 -3.190 1.00 52.14 H new ATOM 0 HG21 VAL A 645 -1.669 15.161 -4.461 1.00 30.52 H new ATOM 0 HG22 VAL A 645 -0.067 15.637 -3.851 1.00 30.52 H new ATOM 0 HG23 VAL A 645 -0.844 14.154 -3.248 1.00 30.52 H new ATOM 930 N SER A 646 -1.008 17.732 0.437 1.00 43.32 N ATOM 931 CA SER A 646 -1.617 18.400 1.526 1.00 0.34 C ATOM 932 C SER A 646 -2.837 19.135 1.050 1.00 1.12 C ATOM 933 O SER A 646 -2.851 19.708 -0.038 1.00 53.01 O ATOM 934 CB SER A 646 -0.630 19.353 2.191 1.00 23.43 C ATOM 935 OG SER A 646 -1.225 20.041 3.273 1.00 13.23 O ATOM 0 H SER A 646 -0.146 18.163 0.103 1.00 43.32 H new ATOM 0 HA SER A 646 -1.921 17.664 2.271 1.00 0.34 H new ATOM 0 HB2 SER A 646 0.235 18.793 2.546 1.00 23.43 H new ATOM 0 HB3 SER A 646 -0.266 20.072 1.457 1.00 23.43 H new ATOM 0 HG SER A 646 -0.737 19.837 4.098 1.00 13.23 H new ATOM 941 N ARG A 647 -3.850 19.102 1.848 1.00 14.12 N ATOM 942 CA ARG A 647 -5.076 19.752 1.524 1.00 23.30 C ATOM 943 C ARG A 647 -5.282 20.940 2.425 1.00 53.13 C ATOM 944 O ARG A 647 -5.856 21.941 2.018 1.00 13.21 O ATOM 945 CB ARG A 647 -6.213 18.741 1.584 1.00 60.21 C ATOM 946 CG ARG A 647 -6.051 17.663 0.521 1.00 40.42 C ATOM 947 CD ARG A 647 -7.000 16.496 0.686 1.00 72.40 C ATOM 948 NE ARG A 647 -8.414 16.856 0.644 1.00 14.35 N ATOM 949 CZ ARG A 647 -9.334 16.142 -0.007 1.00 54.32 C ATOM 950 NH1 ARG A 647 -8.954 15.259 -0.938 1.00 41.44 N ATOM 951 NH2 ARG A 647 -10.624 16.376 0.196 1.00 12.42 N ATOM 0 H ARG A 647 -3.852 18.621 2.748 1.00 14.12 H new ATOM 0 HA ARG A 647 -5.049 20.141 0.506 1.00 23.30 H new ATOM 0 HB2 ARG A 647 -6.241 18.280 2.571 1.00 60.21 H new ATOM 0 HB3 ARG A 647 -7.165 19.253 1.444 1.00 60.21 H new ATOM 0 HG2 ARG A 647 -6.205 18.109 -0.462 1.00 40.42 H new ATOM 0 HG3 ARG A 647 -5.026 17.292 0.546 1.00 40.42 H new ATOM 0 HD2 ARG A 647 -6.800 15.767 -0.100 1.00 72.40 H new ATOM 0 HD3 ARG A 647 -6.791 16.005 1.637 1.00 72.40 H new ATOM 0 HE ARG A 647 -8.714 17.697 1.138 1.00 14.35 H new ATOM 0 HH11 ARG A 647 -7.964 15.134 -1.148 1.00 41.44 H new ATOM 0 HH12 ARG A 647 -9.655 14.711 -1.438 1.00 41.44 H new ATOM 0 HH21 ARG A 647 -10.914 17.103 0.851 1.00 12.42 H new ATOM 0 HH22 ARG A 647 -11.326 15.829 -0.303 1.00 12.42 H new ATOM 963 N SER A 648 -4.791 20.847 3.644 1.00 23.13 N ATOM 964 CA SER A 648 -4.873 21.958 4.557 1.00 62.52 C ATOM 965 C SER A 648 -3.732 22.961 4.317 1.00 2.25 C ATOM 966 O SER A 648 -3.943 24.168 4.354 1.00 74.51 O ATOM 967 CB SER A 648 -4.821 21.453 5.984 1.00 54.20 C ATOM 968 OG SER A 648 -5.827 20.492 6.211 1.00 42.00 O ATOM 0 H SER A 648 -4.334 20.016 4.020 1.00 23.13 H new ATOM 0 HA SER A 648 -5.819 22.472 4.384 1.00 62.52 H new ATOM 0 HB2 SER A 648 -3.843 21.016 6.185 1.00 54.20 H new ATOM 0 HB3 SER A 648 -4.946 22.287 6.675 1.00 54.20 H new ATOM 0 HG SER A 648 -5.551 19.633 5.829 1.00 42.00 H new ATOM 974 N ASP A 649 -2.532 22.456 4.066 1.00 21.14 N ATOM 975 CA ASP A 649 -1.369 23.325 3.884 1.00 14.23 C ATOM 976 C ASP A 649 -0.946 23.373 2.401 1.00 63.35 C ATOM 977 O ASP A 649 -0.020 24.074 2.013 1.00 52.31 O ATOM 978 CB ASP A 649 -0.226 22.866 4.806 1.00 35.12 C ATOM 979 CG ASP A 649 0.939 23.821 4.842 1.00 51.41 C ATOM 980 OD1 ASP A 649 0.805 24.927 5.427 1.00 21.41 O ATOM 981 OD2 ASP A 649 2.003 23.495 4.307 1.00 0.23 O ATOM 0 H ASP A 649 -2.335 21.459 3.984 1.00 21.14 H new ATOM 0 HA ASP A 649 -1.632 24.345 4.165 1.00 14.23 H new ATOM 0 HB2 ASP A 649 -0.614 22.740 5.817 1.00 35.12 H new ATOM 0 HB3 ASP A 649 0.126 21.889 4.476 1.00 35.12 H new ATOM 986 N ARG A 650 -1.665 22.595 1.599 1.00 74.22 N ATOM 987 CA ARG A 650 -1.547 22.498 0.119 1.00 35.52 C ATOM 988 C ARG A 650 -0.127 22.237 -0.455 1.00 44.22 C ATOM 989 O ARG A 650 0.117 22.503 -1.627 1.00 51.51 O ATOM 990 CB ARG A 650 -2.145 23.733 -0.514 1.00 35.52 C ATOM 991 CG ARG A 650 -3.609 23.926 -0.183 1.00 22.01 C ATOM 992 CD ARG A 650 -4.140 25.164 -0.841 1.00 62.54 C ATOM 993 NE ARG A 650 -4.033 25.089 -2.304 1.00 20.23 N ATOM 994 CZ ARG A 650 -3.936 26.139 -3.125 1.00 40.33 C ATOM 995 NH1 ARG A 650 -3.916 27.370 -2.637 1.00 41.23 N ATOM 996 NH2 ARG A 650 -3.861 25.947 -4.435 1.00 10.11 N ATOM 0 H ARG A 650 -2.388 21.977 1.967 1.00 74.22 H new ATOM 0 HA ARG A 650 -2.101 21.596 -0.142 1.00 35.52 H new ATOM 0 HB2 ARG A 650 -1.586 24.609 -0.184 1.00 35.52 H new ATOM 0 HB3 ARG A 650 -2.029 23.671 -1.596 1.00 35.52 H new ATOM 0 HG2 ARG A 650 -4.180 23.058 -0.514 1.00 22.01 H new ATOM 0 HG3 ARG A 650 -3.737 23.998 0.897 1.00 22.01 H new ATOM 0 HD2 ARG A 650 -5.183 25.307 -0.559 1.00 62.54 H new ATOM 0 HD3 ARG A 650 -3.590 26.033 -0.480 1.00 62.54 H new ATOM 0 HE ARG A 650 -4.033 24.161 -2.727 1.00 20.23 H new ATOM 0 HH11 ARG A 650 -3.975 27.520 -1.630 1.00 41.23 H new ATOM 0 HH12 ARG A 650 -3.842 28.168 -3.268 1.00 41.23 H new ATOM 0 HH21 ARG A 650 -3.877 25.000 -4.813 1.00 10.11 H new ATOM 0 HH22 ARG A 650 -3.787 26.746 -5.064 1.00 10.11 H new ATOM 1008 N LYS A 651 0.765 21.667 0.319 1.00 22.05 N ATOM 1009 CA LYS A 651 2.060 21.275 -0.206 1.00 53.01 C ATOM 1010 C LYS A 651 2.066 19.833 -0.665 1.00 11.32 C ATOM 1011 O LYS A 651 1.055 19.141 -0.565 1.00 13.02 O ATOM 1012 CB LYS A 651 3.116 21.490 0.816 1.00 11.13 C ATOM 1013 CG LYS A 651 3.273 22.921 1.093 1.00 61.00 C ATOM 1014 CD LYS A 651 4.344 23.177 2.058 1.00 4.55 C ATOM 1015 CE LYS A 651 4.482 24.636 2.252 1.00 71.30 C ATOM 1016 NZ LYS A 651 3.247 25.246 2.777 1.00 22.32 N ATOM 0 H LYS A 651 0.624 21.463 1.308 1.00 22.05 H new ATOM 0 HA LYS A 651 2.266 21.901 -1.074 1.00 53.01 H new ATOM 0 HB2 LYS A 651 2.857 20.962 1.733 1.00 11.13 H new ATOM 0 HB3 LYS A 651 4.061 21.075 0.465 1.00 11.13 H new ATOM 0 HG2 LYS A 651 3.488 23.449 0.164 1.00 61.00 H new ATOM 0 HG3 LYS A 651 2.335 23.321 1.477 1.00 61.00 H new ATOM 0 HD2 LYS A 651 4.119 22.691 3.007 1.00 4.55 H new ATOM 0 HD3 LYS A 651 5.283 22.755 1.699 1.00 4.55 H new ATOM 0 HE2 LYS A 651 5.304 24.833 2.940 1.00 71.30 H new ATOM 0 HE3 LYS A 651 4.742 25.104 1.303 1.00 71.30 H new ATOM 0 HZ1 LYS A 651 3.456 26.200 3.135 1.00 22.32 H new ATOM 0 HZ2 LYS A 651 2.540 25.308 2.017 1.00 22.32 H new ATOM 0 HZ3 LYS A 651 2.872 24.661 3.551 1.00 22.32 H new ATOM 1030 N SER A 652 3.173 19.380 -1.171 1.00 32.15 N ATOM 1031 CA SER A 652 3.300 18.005 -1.598 1.00 11.40 C ATOM 1032 C SER A 652 4.615 17.439 -1.081 1.00 72.02 C ATOM 1033 O SER A 652 5.628 18.154 -1.034 1.00 52.25 O ATOM 1034 CB SER A 652 3.242 17.935 -3.127 1.00 62.31 C ATOM 1035 OG SER A 652 2.051 18.562 -3.610 1.00 71.42 O ATOM 0 H SER A 652 4.013 19.943 -1.302 1.00 32.15 H new ATOM 0 HA SER A 652 2.480 17.412 -1.194 1.00 11.40 H new ATOM 0 HB2 SER A 652 4.117 18.425 -3.553 1.00 62.31 H new ATOM 0 HB3 SER A 652 3.270 16.895 -3.451 1.00 62.31 H new ATOM 0 HG SER A 652 2.028 18.511 -4.588 1.00 71.42 H new ATOM 1041 N TRP A 653 4.602 16.174 -0.674 1.00 64.52 N ATOM 1042 CA TRP A 653 5.800 15.518 -0.153 1.00 21.20 C ATOM 1043 C TRP A 653 5.819 14.073 -0.545 1.00 54.54 C ATOM 1044 O TRP A 653 4.775 13.456 -0.789 1.00 65.41 O ATOM 1045 CB TRP A 653 5.898 15.595 1.379 1.00 4.05 C ATOM 1046 CG TRP A 653 5.927 16.968 1.967 1.00 2.12 C ATOM 1047 CD1 TRP A 653 6.993 17.809 2.050 1.00 42.12 C ATOM 1048 CD2 TRP A 653 4.835 17.644 2.577 1.00 3.52 C ATOM 1049 NE1 TRP A 653 6.625 18.970 2.680 1.00 34.12 N ATOM 1050 CE2 TRP A 653 5.300 18.892 3.009 1.00 73.01 C ATOM 1051 CE3 TRP A 653 3.509 17.310 2.794 1.00 44.12 C ATOM 1052 CZ2 TRP A 653 4.473 19.806 3.652 1.00 44.33 C ATOM 1053 CZ3 TRP A 653 2.696 18.206 3.423 1.00 33.10 C ATOM 1054 CH2 TRP A 653 3.174 19.444 3.848 1.00 70.13 C ATOM 0 H TRP A 653 3.773 15.580 -0.694 1.00 64.52 H new ATOM 0 HA TRP A 653 6.648 16.050 -0.585 1.00 21.20 H new ATOM 0 HB2 TRP A 653 5.051 15.057 1.805 1.00 4.05 H new ATOM 0 HB3 TRP A 653 6.800 15.068 1.692 1.00 4.05 H new ATOM 0 HD1 TRP A 653 7.983 17.594 1.675 1.00 42.12 H new ATOM 0 HE1 TRP A 653 7.239 19.762 2.872 1.00 34.12 H new ATOM 0 HE3 TRP A 653 3.124 16.354 2.470 1.00 44.12 H new ATOM 0 HZ2 TRP A 653 4.845 20.764 3.983 1.00 44.33 H new ATOM 0 HZ3 TRP A 653 1.661 17.951 3.595 1.00 33.10 H new ATOM 0 HH2 TRP A 653 2.502 20.130 4.342 1.00 70.13 H new ATOM 1065 N ASN A 654 6.993 13.535 -0.570 1.00 70.43 N ATOM 1066 CA ASN A 654 7.218 12.169 -0.923 1.00 72.15 C ATOM 1067 C ASN A 654 7.295 11.369 0.374 1.00 13.31 C ATOM 1068 O ASN A 654 7.909 11.835 1.356 1.00 50.52 O ATOM 1069 CB ASN A 654 8.562 12.090 -1.633 1.00 61.21 C ATOM 1070 CG ASN A 654 8.797 10.807 -2.356 1.00 63.52 C ATOM 1071 OD1 ASN A 654 9.256 9.834 -1.791 1.00 31.20 O ATOM 1072 ND2 ASN A 654 8.514 10.822 -3.621 1.00 25.42 N ATOM 0 H ASN A 654 7.846 14.045 -0.340 1.00 70.43 H new ATOM 0 HA ASN A 654 6.427 11.782 -1.566 1.00 72.15 H new ATOM 0 HB2 ASN A 654 8.634 12.913 -2.344 1.00 61.21 H new ATOM 0 HB3 ASN A 654 9.356 12.232 -0.900 1.00 61.21 H new ATOM 0 HD21 ASN A 654 8.675 9.991 -4.190 1.00 25.42 H new ATOM 0 HD22 ASN A 654 8.130 11.665 -4.048 1.00 25.42 H new ATOM 1078 N LEU A 655 6.663 10.217 0.428 1.00 62.32 N ATOM 1079 CA LEU A 655 6.750 9.390 1.625 1.00 72.55 C ATOM 1080 C LEU A 655 7.495 8.130 1.332 1.00 2.35 C ATOM 1081 O LEU A 655 7.638 7.267 2.196 1.00 71.04 O ATOM 1082 CB LEU A 655 5.403 9.001 2.210 1.00 51.24 C ATOM 1083 CG LEU A 655 4.419 10.080 2.572 1.00 23.11 C ATOM 1084 CD1 LEU A 655 3.621 10.484 1.414 1.00 35.23 C ATOM 1085 CD2 LEU A 655 3.554 9.665 3.722 1.00 71.44 C ATOM 0 H LEU A 655 6.092 9.832 -0.324 1.00 62.32 H new ATOM 0 HA LEU A 655 7.269 10.008 2.358 1.00 72.55 H new ATOM 0 HB2 LEU A 655 4.915 8.338 1.496 1.00 51.24 H new ATOM 0 HB3 LEU A 655 5.593 8.416 3.110 1.00 51.24 H new ATOM 0 HG LEU A 655 4.989 10.952 2.893 1.00 23.11 H new ATOM 0 HD11 LEU A 655 2.920 11.265 1.710 1.00 35.23 H new ATOM 0 HD12 LEU A 655 4.280 10.864 0.633 1.00 35.23 H new ATOM 0 HD13 LEU A 655 3.068 9.624 1.035 1.00 35.23 H new ATOM 0 HD21 LEU A 655 2.854 10.466 3.959 1.00 71.44 H new ATOM 0 HD22 LEU A 655 2.999 8.766 3.454 1.00 71.44 H new ATOM 0 HD23 LEU A 655 4.178 9.460 4.592 1.00 71.44 H new ATOM 1093 N GLY A 656 7.953 8.010 0.130 1.00 31.24 N ATOM 1094 CA GLY A 656 8.669 6.866 -0.221 1.00 13.55 C ATOM 1095 C GLY A 656 8.749 6.662 -1.693 1.00 70.13 C ATOM 1096 O GLY A 656 7.787 6.902 -2.443 1.00 74.20 O ATOM 0 H GLY A 656 7.836 8.699 -0.613 1.00 31.24 H new ATOM 0 HA2 GLY A 656 9.678 6.935 0.186 1.00 13.55 H new ATOM 0 HA3 GLY A 656 8.200 5.995 0.236 1.00 13.55 H new ATOM 1100 N ARG A 657 9.880 6.230 -2.094 1.00 44.31 N ATOM 1101 CA ARG A 657 10.205 5.954 -3.443 1.00 40.12 C ATOM 1102 C ARG A 657 9.687 4.565 -3.778 1.00 72.14 C ATOM 1103 O ARG A 657 9.623 3.698 -2.897 1.00 2.34 O ATOM 1104 CB ARG A 657 11.710 6.065 -3.549 1.00 51.23 C ATOM 1105 CG ARG A 657 12.344 5.868 -4.898 1.00 33.41 C ATOM 1106 CD ARG A 657 13.778 6.269 -4.760 1.00 22.44 C ATOM 1107 NE ARG A 657 14.586 6.157 -5.963 1.00 41.12 N ATOM 1108 CZ ARG A 657 15.884 6.503 -5.997 1.00 54.14 C ATOM 1109 NH1 ARG A 657 16.473 7.012 -4.900 1.00 43.34 N ATOM 1110 NH2 ARG A 657 16.585 6.361 -7.109 1.00 54.11 N ATOM 0 H ARG A 657 10.653 6.047 -1.454 1.00 44.31 H new ATOM 0 HA ARG A 657 9.751 6.645 -4.153 1.00 40.12 H new ATOM 0 HB2 ARG A 657 11.997 7.052 -3.187 1.00 51.23 H new ATOM 0 HB3 ARG A 657 12.146 5.336 -2.866 1.00 51.23 H new ATOM 0 HG2 ARG A 657 12.261 4.829 -5.217 1.00 33.41 H new ATOM 0 HG3 ARG A 657 11.843 6.474 -5.653 1.00 33.41 H new ATOM 0 HD2 ARG A 657 13.815 7.302 -4.416 1.00 22.44 H new ATOM 0 HD3 ARG A 657 14.233 5.657 -3.981 1.00 22.44 H new ATOM 0 HE ARG A 657 14.151 5.802 -6.814 1.00 41.12 H new ATOM 0 HH11 ARG A 657 15.934 7.135 -4.043 1.00 43.34 H new ATOM 0 HH12 ARG A 657 17.458 7.275 -4.926 1.00 43.34 H new ATOM 0 HH21 ARG A 657 16.141 5.987 -7.948 1.00 54.11 H new ATOM 0 HH22 ARG A 657 17.570 6.626 -7.128 1.00 54.11 H new ATOM 1122 N SER A 658 9.301 4.378 -5.018 1.00 4.55 N ATOM 1123 CA SER A 658 8.659 3.171 -5.478 1.00 33.14 C ATOM 1124 C SER A 658 9.441 1.912 -5.196 1.00 42.15 C ATOM 1125 O SER A 658 10.652 1.857 -5.412 1.00 13.24 O ATOM 1126 CB SER A 658 8.363 3.286 -6.953 1.00 5.02 C ATOM 1127 OG SER A 658 9.535 3.582 -7.706 1.00 45.52 O ATOM 0 H SER A 658 9.428 5.076 -5.750 1.00 4.55 H new ATOM 0 HA SER A 658 7.734 3.076 -4.909 1.00 33.14 H new ATOM 0 HB2 SER A 658 7.928 2.353 -7.310 1.00 5.02 H new ATOM 0 HB3 SER A 658 7.620 4.067 -7.115 1.00 5.02 H new ATOM 0 HG SER A 658 9.772 4.525 -7.585 1.00 45.52 H new ATOM 1133 N ASN A 659 8.735 0.916 -4.722 1.00 42.42 N ATOM 1134 CA ASN A 659 9.290 -0.398 -4.423 1.00 13.30 C ATOM 1135 C ASN A 659 8.179 -1.379 -4.112 1.00 75.44 C ATOM 1136 O ASN A 659 7.182 -1.014 -3.522 1.00 41.24 O ATOM 1137 CB ASN A 659 10.388 -0.373 -3.296 1.00 63.34 C ATOM 1138 CG ASN A 659 9.971 0.161 -1.898 1.00 0.11 C ATOM 1139 OD1 ASN A 659 10.795 0.743 -1.187 1.00 1.34 O ATOM 1140 ND2 ASN A 659 8.746 -0.036 -1.482 1.00 65.01 N ATOM 0 H ASN A 659 7.737 0.989 -4.526 1.00 42.42 H new ATOM 0 HA ASN A 659 9.811 -0.735 -5.319 1.00 13.30 H new ATOM 0 HB2 ASN A 659 10.763 -1.389 -3.170 1.00 63.34 H new ATOM 0 HB3 ASN A 659 11.221 0.233 -3.652 1.00 63.34 H new ATOM 0 HD21 ASN A 659 8.462 0.293 -0.559 1.00 65.01 H new ATOM 0 HD22 ASN A 659 8.076 -0.519 -2.080 1.00 65.01 H new ATOM 1146 N ALA A 660 8.345 -2.601 -4.517 1.00 24.20 N ATOM 1147 CA ALA A 660 7.332 -3.627 -4.315 1.00 73.22 C ATOM 1148 C ALA A 660 7.685 -4.521 -3.132 1.00 24.24 C ATOM 1149 O ALA A 660 7.207 -5.658 -3.028 1.00 42.22 O ATOM 1150 CB ALA A 660 7.191 -4.448 -5.577 1.00 51.20 C ATOM 0 H ALA A 660 9.182 -2.929 -4.999 1.00 24.20 H new ATOM 0 HA ALA A 660 6.382 -3.143 -4.090 1.00 73.22 H new ATOM 0 HB1 ALA A 660 6.433 -5.217 -5.428 1.00 51.20 H new ATOM 0 HB2 ALA A 660 6.893 -3.800 -6.401 1.00 51.20 H new ATOM 0 HB3 ALA A 660 8.145 -4.920 -5.813 1.00 51.20 H new ATOM 1156 N LYS A 661 8.507 -3.994 -2.244 1.00 14.51 N ATOM 1157 CA LYS A 661 8.911 -4.700 -1.044 1.00 63.52 C ATOM 1158 C LYS A 661 7.792 -4.806 -0.025 1.00 22.34 C ATOM 1159 O LYS A 661 7.456 -3.826 0.663 1.00 44.32 O ATOM 1160 CB LYS A 661 10.162 -4.060 -0.383 1.00 44.01 C ATOM 1161 CG LYS A 661 11.522 -4.494 -0.947 1.00 4.43 C ATOM 1162 CD LYS A 661 11.685 -4.245 -2.430 1.00 13.13 C ATOM 1163 CE LYS A 661 13.032 -4.764 -2.907 1.00 41.15 C ATOM 1164 NZ LYS A 661 13.204 -4.617 -4.364 1.00 52.01 N ATOM 0 H LYS A 661 8.914 -3.063 -2.335 1.00 14.51 H new ATOM 0 HA LYS A 661 9.167 -5.708 -1.372 1.00 63.52 H new ATOM 0 HB2 LYS A 661 10.082 -2.977 -0.476 1.00 44.01 H new ATOM 0 HB3 LYS A 661 10.143 -4.291 0.682 1.00 44.01 H new ATOM 0 HG2 LYS A 661 12.310 -3.965 -0.412 1.00 4.43 H new ATOM 0 HG3 LYS A 661 11.662 -5.557 -0.751 1.00 4.43 H new ATOM 0 HD2 LYS A 661 10.883 -4.738 -2.979 1.00 13.13 H new ATOM 0 HD3 LYS A 661 11.604 -3.178 -2.638 1.00 13.13 H new ATOM 0 HE2 LYS A 661 13.829 -4.226 -2.393 1.00 41.15 H new ATOM 0 HE3 LYS A 661 13.131 -5.815 -2.636 1.00 41.15 H new ATOM 0 HZ1 LYS A 661 14.036 -5.160 -4.672 1.00 52.01 H new ATOM 0 HZ2 LYS A 661 12.357 -4.974 -4.851 1.00 52.01 H new ATOM 0 HZ3 LYS A 661 13.340 -3.613 -4.598 1.00 52.01 H new ATOM 1178 N LEU A 662 7.202 -5.981 0.053 1.00 44.41 N ATOM 1179 CA LEU A 662 6.244 -6.263 1.083 1.00 33.14 C ATOM 1180 C LEU A 662 6.999 -6.734 2.294 1.00 50.14 C ATOM 1181 O LEU A 662 8.093 -7.277 2.177 1.00 71.02 O ATOM 1182 CB LEU A 662 5.210 -7.326 0.682 1.00 31.42 C ATOM 1183 CG LEU A 662 4.245 -7.004 -0.451 1.00 72.51 C ATOM 1184 CD1 LEU A 662 3.190 -8.089 -0.545 1.00 32.14 C ATOM 1185 CD2 LEU A 662 3.601 -5.646 -0.272 1.00 44.52 C ATOM 0 H LEU A 662 7.375 -6.753 -0.590 1.00 44.41 H new ATOM 0 HA LEU A 662 5.683 -5.349 1.279 1.00 33.14 H new ATOM 0 HB2 LEU A 662 5.753 -8.231 0.409 1.00 31.42 H new ATOM 0 HB3 LEU A 662 4.618 -7.563 1.566 1.00 31.42 H new ATOM 0 HG LEU A 662 4.812 -6.969 -1.381 1.00 72.51 H new ATOM 0 HD11 LEU A 662 2.500 -7.857 -1.356 1.00 32.14 H new ATOM 0 HD12 LEU A 662 3.670 -9.048 -0.740 1.00 32.14 H new ATOM 0 HD13 LEU A 662 2.640 -8.144 0.394 1.00 32.14 H new ATOM 0 HD21 LEU A 662 2.920 -5.454 -1.101 1.00 44.52 H new ATOM 0 HD22 LEU A 662 3.046 -5.627 0.666 1.00 44.52 H new ATOM 0 HD23 LEU A 662 4.373 -4.877 -0.252 1.00 44.52 H new ATOM 1193 N SER A 663 6.459 -6.526 3.428 1.00 63.33 N ATOM 1194 CA SER A 663 7.108 -6.903 4.638 1.00 13.03 C ATOM 1195 C SER A 663 6.158 -7.735 5.485 1.00 44.55 C ATOM 1196 O SER A 663 4.975 -7.743 5.240 1.00 22.43 O ATOM 1197 CB SER A 663 7.554 -5.646 5.359 1.00 4.51 C ATOM 1198 OG SER A 663 8.412 -4.874 4.525 1.00 34.50 O ATOM 0 H SER A 663 5.547 -6.087 3.555 1.00 63.33 H new ATOM 0 HA SER A 663 7.987 -7.514 4.434 1.00 13.03 H new ATOM 0 HB2 SER A 663 6.684 -5.054 5.644 1.00 4.51 H new ATOM 0 HB3 SER A 663 8.074 -5.912 6.279 1.00 4.51 H new ATOM 0 HG SER A 663 9.223 -4.636 5.021 1.00 34.50 H new ATOM 1204 N TYR A 664 6.678 -8.474 6.419 1.00 31.34 N ATOM 1205 CA TYR A 664 5.848 -9.272 7.275 1.00 65.42 C ATOM 1206 C TYR A 664 6.294 -9.062 8.696 1.00 45.14 C ATOM 1207 O TYR A 664 7.424 -9.385 9.041 1.00 72.12 O ATOM 1208 CB TYR A 664 6.001 -10.739 6.891 1.00 61.43 C ATOM 1209 CG TYR A 664 4.893 -11.637 7.351 1.00 73.12 C ATOM 1210 CD1 TYR A 664 3.685 -11.617 6.688 1.00 1.01 C ATOM 1211 CD2 TYR A 664 5.054 -12.525 8.398 1.00 31.32 C ATOM 1212 CE1 TYR A 664 2.658 -12.448 7.041 1.00 21.15 C ATOM 1213 CE2 TYR A 664 4.035 -13.362 8.769 1.00 24.01 C ATOM 1214 CZ TYR A 664 2.832 -13.329 8.083 1.00 54.24 C ATOM 1215 OH TYR A 664 1.805 -14.178 8.448 1.00 73.43 O ATOM 0 H TYR A 664 7.678 -8.542 6.609 1.00 31.34 H new ATOM 0 HA TYR A 664 4.801 -8.986 7.172 1.00 65.42 H new ATOM 0 HB2 TYR A 664 6.077 -10.808 5.806 1.00 61.43 H new ATOM 0 HB3 TYR A 664 6.941 -11.109 7.300 1.00 61.43 H new ATOM 0 HD1 TYR A 664 3.546 -10.927 5.869 1.00 1.01 H new ATOM 0 HD2 TYR A 664 5.994 -12.559 8.929 1.00 31.32 H new ATOM 0 HE1 TYR A 664 1.720 -12.413 6.507 1.00 21.15 H new ATOM 0 HE2 TYR A 664 4.169 -14.046 9.594 1.00 24.01 H new ATOM 0 HH TYR A 664 1.095 -13.663 8.885 1.00 73.43 H new ATOM 1225 N TYR A 665 5.446 -8.523 9.499 1.00 14.25 N ATOM 1226 CA TYR A 665 5.777 -8.265 10.873 1.00 13.52 C ATOM 1227 C TYR A 665 4.968 -9.195 11.730 1.00 55.41 C ATOM 1228 O TYR A 665 3.737 -9.083 11.772 1.00 70.05 O ATOM 1229 CB TYR A 665 5.491 -6.802 11.219 1.00 13.23 C ATOM 1230 CG TYR A 665 5.895 -6.373 12.616 1.00 50.24 C ATOM 1231 CD1 TYR A 665 7.209 -6.022 12.902 1.00 65.31 C ATOM 1232 CD2 TYR A 665 4.961 -6.299 13.641 1.00 41.13 C ATOM 1233 CE1 TYR A 665 7.579 -5.612 14.169 1.00 65.11 C ATOM 1234 CE2 TYR A 665 5.324 -5.894 14.909 1.00 2.14 C ATOM 1235 CZ TYR A 665 6.631 -5.551 15.170 1.00 12.21 C ATOM 1236 OH TYR A 665 6.993 -5.141 16.437 1.00 25.00 O ATOM 0 H TYR A 665 4.502 -8.245 9.231 1.00 14.25 H new ATOM 0 HA TYR A 665 6.838 -8.439 11.050 1.00 13.52 H new ATOM 0 HB2 TYR A 665 6.008 -6.168 10.499 1.00 13.23 H new ATOM 0 HB3 TYR A 665 4.424 -6.619 11.096 1.00 13.23 H new ATOM 0 HD1 TYR A 665 7.953 -6.070 12.121 1.00 65.31 H new ATOM 0 HD2 TYR A 665 3.933 -6.563 13.442 1.00 41.13 H new ATOM 0 HE1 TYR A 665 8.604 -5.341 14.374 1.00 65.11 H new ATOM 0 HE2 TYR A 665 4.584 -5.846 15.695 1.00 2.14 H new ATOM 0 HH TYR A 665 6.207 -5.154 17.022 1.00 25.00 H new ATOM 1246 N ASP A 666 5.654 -10.138 12.366 1.00 74.25 N ATOM 1247 CA ASP A 666 5.046 -11.181 13.227 1.00 3.00 C ATOM 1248 C ASP A 666 4.134 -12.114 12.447 1.00 22.23 C ATOM 1249 O ASP A 666 4.491 -13.256 12.175 1.00 22.15 O ATOM 1250 CB ASP A 666 4.297 -10.601 14.437 1.00 35.21 C ATOM 1251 CG ASP A 666 3.693 -11.694 15.293 1.00 62.40 C ATOM 1252 OD1 ASP A 666 4.460 -12.473 15.893 1.00 44.01 O ATOM 1253 OD2 ASP A 666 2.439 -11.783 15.386 1.00 50.01 O ATOM 0 H ASP A 666 6.669 -10.212 12.305 1.00 74.25 H new ATOM 0 HA ASP A 666 5.887 -11.761 13.607 1.00 3.00 H new ATOM 0 HB2 ASP A 666 4.983 -10.004 15.038 1.00 35.21 H new ATOM 0 HB3 ASP A 666 3.510 -9.931 14.092 1.00 35.21 H new ATOM 1258 N GLY A 667 2.968 -11.629 12.102 1.00 33.42 N ATOM 1259 CA GLY A 667 2.038 -12.397 11.343 1.00 72.05 C ATOM 1260 C GLY A 667 1.145 -11.525 10.499 1.00 4.22 C ATOM 1261 O GLY A 667 0.171 -11.993 9.921 1.00 51.11 O ATOM 0 H GLY A 667 2.645 -10.692 12.343 1.00 33.42 H new ATOM 0 HA2 GLY A 667 2.580 -13.091 10.701 1.00 72.05 H new ATOM 0 HA3 GLY A 667 1.427 -12.997 12.017 1.00 72.05 H new ATOM 1265 N MET A 668 1.482 -10.262 10.412 1.00 21.44 N ATOM 1266 CA MET A 668 0.714 -9.338 9.620 1.00 64.53 C ATOM 1267 C MET A 668 1.573 -8.860 8.486 1.00 62.35 C ATOM 1268 O MET A 668 2.777 -8.618 8.673 1.00 23.12 O ATOM 1269 CB MET A 668 0.230 -8.115 10.442 1.00 4.44 C ATOM 1270 CG MET A 668 -0.622 -8.435 11.679 1.00 21.13 C ATOM 1271 SD MET A 668 0.318 -9.160 13.054 1.00 13.21 S ATOM 1272 CE MET A 668 1.390 -7.793 13.505 1.00 63.24 C ATOM 0 H MET A 668 2.288 -9.850 10.883 1.00 21.44 H new ATOM 0 HA MET A 668 -0.173 -9.857 9.257 1.00 64.53 H new ATOM 0 HB2 MET A 668 1.104 -7.548 10.763 1.00 4.44 H new ATOM 0 HB3 MET A 668 -0.348 -7.465 9.785 1.00 4.44 H new ATOM 0 HG2 MET A 668 -1.103 -7.519 12.024 1.00 21.13 H new ATOM 0 HG3 MET A 668 -1.417 -9.124 11.392 1.00 21.13 H new ATOM 0 HE1 MET A 668 1.977 -8.065 14.382 1.00 63.24 H new ATOM 0 HE2 MET A 668 2.060 -7.567 12.676 1.00 63.24 H new ATOM 0 HE3 MET A 668 0.785 -6.915 13.731 1.00 63.24 H new ATOM 1282 N ILE A 669 0.999 -8.740 7.317 1.00 73.04 N ATOM 1283 CA ILE A 669 1.745 -8.248 6.193 1.00 31.31 C ATOM 1284 C ILE A 669 1.853 -6.723 6.306 1.00 51.23 C ATOM 1285 O ILE A 669 0.908 -6.050 6.716 1.00 30.24 O ATOM 1286 CB ILE A 669 1.145 -8.621 4.772 1.00 22.30 C ATOM 1287 CG1 ILE A 669 1.070 -10.132 4.483 1.00 32.14 C ATOM 1288 CG2 ILE A 669 1.937 -7.966 3.653 1.00 13.40 C ATOM 1289 CD1 ILE A 669 0.019 -10.905 5.237 1.00 35.21 C ATOM 0 H ILE A 669 0.026 -8.974 7.121 1.00 73.04 H new ATOM 0 HA ILE A 669 2.717 -8.738 6.239 1.00 31.31 H new ATOM 0 HB ILE A 669 0.123 -8.243 4.806 1.00 22.30 H new ATOM 0 HG12 ILE A 669 0.895 -10.268 3.416 1.00 32.14 H new ATOM 0 HG13 ILE A 669 2.043 -10.571 4.705 1.00 32.14 H new ATOM 0 HG21 ILE A 669 1.503 -8.240 2.691 1.00 13.40 H new ATOM 0 HG22 ILE A 669 1.905 -6.883 3.770 1.00 13.40 H new ATOM 0 HG23 ILE A 669 2.972 -8.305 3.693 1.00 13.40 H new ATOM 0 HD11 ILE A 669 0.064 -11.955 4.950 1.00 35.21 H new ATOM 0 HD12 ILE A 669 0.199 -10.814 6.308 1.00 35.21 H new ATOM 0 HD13 ILE A 669 -0.967 -10.506 4.999 1.00 35.21 H new ATOM 1296 N GLN A 670 2.994 -6.216 5.989 1.00 23.10 N ATOM 1297 CA GLN A 670 3.262 -4.821 5.958 1.00 54.04 C ATOM 1298 C GLN A 670 3.735 -4.424 4.573 1.00 4.35 C ATOM 1299 O GLN A 670 4.037 -5.284 3.747 1.00 51.45 O ATOM 1300 CB GLN A 670 4.306 -4.447 6.982 1.00 35.42 C ATOM 1301 CG GLN A 670 3.824 -4.564 8.400 1.00 65.33 C ATOM 1302 CD GLN A 670 4.833 -4.050 9.370 1.00 34.14 C ATOM 1303 OE1 GLN A 670 6.041 -4.128 9.138 1.00 11.43 O ATOM 1304 NE2 GLN A 670 4.362 -3.500 10.445 1.00 2.04 N ATOM 0 H GLN A 670 3.800 -6.787 5.734 1.00 23.10 H new ATOM 0 HA GLN A 670 2.342 -4.288 6.199 1.00 54.04 H new ATOM 0 HB2 GLN A 670 5.179 -5.086 6.849 1.00 35.42 H new ATOM 0 HB3 GLN A 670 4.631 -3.422 6.800 1.00 35.42 H new ATOM 0 HG2 GLN A 670 2.893 -4.009 8.515 1.00 65.33 H new ATOM 0 HG3 GLN A 670 3.602 -5.607 8.624 1.00 65.33 H new ATOM 0 HE21 GLN A 670 3.354 -3.457 10.596 1.00 2.04 H new ATOM 0 HE22 GLN A 670 4.999 -3.110 11.140 1.00 2.04 H new ATOM 1312 N LEU A 671 3.814 -3.158 4.325 1.00 61.11 N ATOM 1313 CA LEU A 671 4.273 -2.656 3.040 1.00 43.15 C ATOM 1314 C LEU A 671 5.170 -1.508 3.395 1.00 11.11 C ATOM 1315 O LEU A 671 4.738 -0.597 4.106 1.00 32.34 O ATOM 1316 CB LEU A 671 3.084 -2.132 2.229 1.00 4.44 C ATOM 1317 CG LEU A 671 3.182 -2.103 0.679 1.00 32.53 C ATOM 1318 CD1 LEU A 671 2.037 -1.339 0.092 1.00 62.55 C ATOM 1319 CD2 LEU A 671 4.498 -1.585 0.124 1.00 45.30 C ATOM 0 H LEU A 671 3.566 -2.431 4.996 1.00 61.11 H new ATOM 0 HA LEU A 671 4.770 -3.423 2.446 1.00 43.15 H new ATOM 0 HB2 LEU A 671 2.215 -2.735 2.492 1.00 4.44 H new ATOM 0 HB3 LEU A 671 2.880 -1.115 2.565 1.00 4.44 H new ATOM 0 HG LEU A 671 3.134 -3.149 0.377 1.00 32.53 H new ATOM 0 HD11 LEU A 671 2.124 -1.330 -0.994 1.00 62.55 H new ATOM 0 HD12 LEU A 671 1.098 -1.814 0.377 1.00 62.55 H new ATOM 0 HD13 LEU A 671 2.053 -0.315 0.465 1.00 62.55 H new ATOM 0 HD21 LEU A 671 4.466 -1.605 -0.965 1.00 45.30 H new ATOM 0 HD22 LEU A 671 4.659 -0.562 0.464 1.00 45.30 H new ATOM 0 HD23 LEU A 671 5.314 -2.216 0.475 1.00 45.30 H new ATOM 1327 N THR A 672 6.371 -1.528 2.935 1.00 62.42 N ATOM 1328 CA THR A 672 7.322 -0.560 3.383 1.00 44.10 C ATOM 1329 C THR A 672 7.810 0.346 2.250 1.00 24.02 C ATOM 1330 O THR A 672 8.454 -0.108 1.302 1.00 22.30 O ATOM 1331 CB THR A 672 8.535 -1.272 4.041 1.00 4.52 C ATOM 1332 OG1 THR A 672 8.069 -2.171 5.066 1.00 43.01 O ATOM 1333 CG2 THR A 672 9.479 -0.255 4.673 1.00 51.12 C ATOM 0 H THR A 672 6.722 -2.199 2.252 1.00 62.42 H new ATOM 0 HA THR A 672 6.818 0.071 4.114 1.00 44.10 H new ATOM 0 HB THR A 672 9.069 -1.824 3.268 1.00 4.52 H new ATOM 0 HG1 THR A 672 8.230 -3.097 4.787 1.00 43.01 H new ATOM 0 HG21 THR A 672 10.322 -0.775 5.128 1.00 51.12 H new ATOM 0 HG22 THR A 672 9.845 0.427 3.906 1.00 51.12 H new ATOM 0 HG23 THR A 672 8.946 0.311 5.437 1.00 51.12 H new ATOM 1339 N TYR A 673 7.499 1.610 2.352 1.00 11.01 N ATOM 1340 CA TYR A 673 8.027 2.607 1.447 1.00 42.12 C ATOM 1341 C TYR A 673 9.011 3.469 2.164 1.00 24.32 C ATOM 1342 O TYR A 673 8.741 3.934 3.262 1.00 53.11 O ATOM 1343 CB TYR A 673 6.944 3.458 0.802 1.00 62.14 C ATOM 1344 CG TYR A 673 6.190 2.735 -0.249 1.00 43.51 C ATOM 1345 CD1 TYR A 673 6.763 2.552 -1.485 1.00 42.32 C ATOM 1346 CD2 TYR A 673 4.930 2.225 -0.024 1.00 32.23 C ATOM 1347 CE1 TYR A 673 6.119 1.880 -2.472 1.00 72.23 C ATOM 1348 CE2 TYR A 673 4.264 1.551 -1.018 1.00 10.12 C ATOM 1349 CZ TYR A 673 4.871 1.379 -2.246 1.00 40.03 C ATOM 1350 OH TYR A 673 4.240 0.679 -3.235 1.00 41.11 O ATOM 0 H TYR A 673 6.872 1.983 3.065 1.00 11.01 H new ATOM 0 HA TYR A 673 8.523 2.074 0.636 1.00 42.12 H new ATOM 0 HB2 TYR A 673 6.250 3.798 1.571 1.00 62.14 H new ATOM 0 HB3 TYR A 673 7.399 4.348 0.368 1.00 62.14 H new ATOM 0 HD1 TYR A 673 7.748 2.952 -1.675 1.00 42.32 H new ATOM 0 HD2 TYR A 673 4.463 2.356 0.941 1.00 32.23 H new ATOM 0 HE1 TYR A 673 6.593 1.742 -3.433 1.00 72.23 H new ATOM 0 HE2 TYR A 673 3.274 1.159 -0.841 1.00 10.12 H new ATOM 0 HH TYR A 673 3.288 0.595 -3.020 1.00 41.11 H new ATOM 1360 N ARG A 674 10.149 3.660 1.561 1.00 14.23 N ATOM 1361 CA ARG A 674 11.221 4.444 2.147 1.00 23.54 C ATOM 1362 C ARG A 674 11.818 5.368 1.109 1.00 10.02 C ATOM 1363 O ARG A 674 11.399 5.343 -0.053 1.00 24.25 O ATOM 1364 CB ARG A 674 12.313 3.518 2.680 1.00 4.42 C ATOM 1365 CG ARG A 674 11.899 2.641 3.845 1.00 33.12 C ATOM 1366 CD ARG A 674 13.009 1.681 4.202 1.00 62.54 C ATOM 1367 NE ARG A 674 14.253 2.378 4.535 1.00 61.24 N ATOM 1368 CZ ARG A 674 15.478 1.975 4.157 1.00 54.23 C ATOM 1369 NH1 ARG A 674 15.629 0.892 3.390 1.00 30.21 N ATOM 1370 NH2 ARG A 674 16.541 2.664 4.531 1.00 63.21 N ATOM 0 H ARG A 674 10.370 3.277 0.642 1.00 14.23 H new ATOM 0 HA ARG A 674 10.811 5.035 2.966 1.00 23.54 H new ATOM 0 HB2 ARG A 674 12.654 2.878 1.866 1.00 4.42 H new ATOM 0 HB3 ARG A 674 13.165 4.125 2.987 1.00 4.42 H new ATOM 0 HG2 ARG A 674 11.655 3.262 4.707 1.00 33.12 H new ATOM 0 HG3 ARG A 674 10.998 2.085 3.588 1.00 33.12 H new ATOM 0 HD2 ARG A 674 12.699 1.068 5.048 1.00 62.54 H new ATOM 0 HD3 ARG A 674 13.186 1.004 3.366 1.00 62.54 H new ATOM 0 HE ARG A 674 14.185 3.229 5.093 1.00 61.24 H new ATOM 0 HH11 ARG A 674 14.811 0.364 3.087 1.00 30.21 H new ATOM 0 HH12 ARG A 674 16.562 0.593 3.108 1.00 30.21 H new ATOM 0 HH21 ARG A 674 16.431 3.500 5.105 1.00 63.21 H new ATOM 0 HH22 ARG A 674 17.472 2.360 4.246 1.00 63.21 H new ATOM 1382 N ASP A 675 12.797 6.161 1.537 1.00 12.42 N ATOM 1383 CA ASP A 675 13.562 7.116 0.692 1.00 4.12 C ATOM 1384 C ASP A 675 12.707 8.349 0.373 1.00 32.14 C ATOM 1385 O ASP A 675 12.980 9.087 -0.559 1.00 22.34 O ATOM 1386 CB ASP A 675 14.096 6.442 -0.617 1.00 54.43 C ATOM 1387 CG ASP A 675 15.231 7.225 -1.280 1.00 31.21 C ATOM 1388 OD1 ASP A 675 16.317 7.325 -0.672 1.00 74.14 O ATOM 1389 OD2 ASP A 675 15.064 7.739 -2.409 1.00 51.32 O ATOM 0 H ASP A 675 13.101 6.168 2.511 1.00 12.42 H new ATOM 0 HA ASP A 675 14.435 7.437 1.260 1.00 4.12 H new ATOM 0 HB2 ASP A 675 14.446 5.436 -0.383 1.00 54.43 H new ATOM 0 HB3 ASP A 675 13.274 6.337 -1.325 1.00 54.43 H new ATOM 1394 N GLY A 676 11.682 8.575 1.191 1.00 64.50 N ATOM 1395 CA GLY A 676 10.804 9.722 1.013 1.00 43.21 C ATOM 1396 C GLY A 676 11.476 11.055 1.345 1.00 72.54 C ATOM 1397 O GLY A 676 12.701 11.132 1.480 1.00 5.20 O ATOM 0 H GLY A 676 11.441 7.978 1.982 1.00 64.50 H new ATOM 0 HA2 GLY A 676 10.454 9.746 -0.019 1.00 43.21 H new ATOM 0 HA3 GLY A 676 9.924 9.599 1.645 1.00 43.21 H new ATOM 1401 N THR A 677 10.682 12.092 1.482 1.00 42.41 N ATOM 1402 CA THR A 677 11.190 13.413 1.785 1.00 71.34 C ATOM 1403 C THR A 677 11.609 13.490 3.260 1.00 32.05 C ATOM 1404 O THR A 677 10.792 13.265 4.146 1.00 23.21 O ATOM 1405 CB THR A 677 10.109 14.486 1.522 1.00 0.31 C ATOM 1406 OG1 THR A 677 9.600 14.357 0.191 1.00 2.52 O ATOM 1407 CG2 THR A 677 10.673 15.882 1.705 1.00 70.23 C ATOM 0 H THR A 677 9.668 12.045 1.387 1.00 42.41 H new ATOM 0 HA THR A 677 12.050 13.599 1.142 1.00 71.34 H new ATOM 0 HB THR A 677 9.304 14.333 2.241 1.00 0.31 H new ATOM 0 HG1 THR A 677 9.316 15.236 -0.137 1.00 2.52 H new ATOM 0 HG21 THR A 677 9.892 16.618 1.514 1.00 70.23 H new ATOM 0 HG22 THR A 677 11.037 15.996 2.726 1.00 70.23 H new ATOM 0 HG23 THR A 677 11.496 16.037 1.007 1.00 70.23 H new ATOM 1413 N PRO A 678 12.881 13.767 3.534 1.00 50.32 N ATOM 1414 CA PRO A 678 13.385 13.919 4.900 1.00 75.11 C ATOM 1415 C PRO A 678 12.810 15.141 5.594 1.00 52.01 C ATOM 1416 O PRO A 678 12.680 16.204 4.980 1.00 23.24 O ATOM 1417 CB PRO A 678 14.891 14.106 4.697 1.00 75.15 C ATOM 1418 CG PRO A 678 15.159 13.572 3.345 1.00 10.42 C ATOM 1419 CD PRO A 678 13.959 13.927 2.546 1.00 22.45 C ATOM 0 HA PRO A 678 13.116 13.070 5.528 1.00 75.11 H new ATOM 0 HB2 PRO A 678 15.173 15.156 4.770 1.00 75.15 H new ATOM 0 HB3 PRO A 678 15.462 13.569 5.455 1.00 75.15 H new ATOM 0 HG2 PRO A 678 16.061 14.011 2.919 1.00 10.42 H new ATOM 0 HG3 PRO A 678 15.311 12.493 3.370 1.00 10.42 H new ATOM 0 HD2 PRO A 678 14.012 14.945 2.160 1.00 22.45 H new ATOM 0 HD3 PRO A 678 13.829 13.267 1.688 1.00 22.45 H new ATOM 1427 N TYR A 679 12.449 15.004 6.865 1.00 65.12 N ATOM 1428 CA TYR A 679 11.953 16.149 7.579 1.00 33.21 C ATOM 1429 C TYR A 679 12.570 16.414 8.960 1.00 64.14 C ATOM 1430 O TYR A 679 13.645 17.014 9.050 1.00 64.43 O ATOM 1431 CB TYR A 679 10.424 16.326 7.534 1.00 62.41 C ATOM 1432 CG TYR A 679 9.566 15.206 8.074 1.00 0.40 C ATOM 1433 CD1 TYR A 679 9.211 14.146 7.288 1.00 44.55 C ATOM 1434 CD2 TYR A 679 9.069 15.264 9.354 1.00 53.34 C ATOM 1435 CE1 TYR A 679 8.369 13.149 7.769 1.00 32.13 C ATOM 1436 CE2 TYR A 679 8.249 14.285 9.850 1.00 63.20 C ATOM 1437 CZ TYR A 679 7.897 13.230 9.056 1.00 24.41 C ATOM 1438 OH TYR A 679 7.065 12.260 9.546 1.00 1.34 O ATOM 0 H TYR A 679 12.492 14.136 7.399 1.00 65.12 H new ATOM 0 HA TYR A 679 12.349 16.968 6.978 1.00 33.21 H new ATOM 0 HB2 TYR A 679 10.176 17.233 8.086 1.00 62.41 H new ATOM 0 HB3 TYR A 679 10.138 16.496 6.496 1.00 62.41 H new ATOM 0 HD1 TYR A 679 9.590 14.082 6.279 1.00 44.55 H new ATOM 0 HD2 TYR A 679 9.331 16.101 9.984 1.00 53.34 H new ATOM 0 HE1 TYR A 679 8.089 12.319 7.137 1.00 32.13 H new ATOM 0 HE2 TYR A 679 7.882 14.347 10.864 1.00 63.20 H new ATOM 0 HH TYR A 679 6.826 12.471 10.473 1.00 1.34 H new ATOM 1448 N ASN A 680 11.937 15.941 10.010 1.00 45.14 N ATOM 1449 CA ASN A 680 12.349 16.269 11.375 1.00 41.24 C ATOM 1450 C ASN A 680 13.398 15.313 11.902 1.00 55.12 C ATOM 1451 O ASN A 680 13.102 14.155 12.226 1.00 73.53 O ATOM 1452 CB ASN A 680 11.137 16.321 12.317 1.00 51.00 C ATOM 1453 CG ASN A 680 11.485 16.672 13.772 1.00 1.55 C ATOM 1454 OD1 ASN A 680 10.820 16.215 14.697 1.00 72.52 O ATOM 1455 ND2 ASN A 680 12.492 17.500 13.980 1.00 33.15 N ATOM 0 H ASN A 680 11.128 15.323 9.954 1.00 45.14 H new ATOM 0 HA ASN A 680 12.804 17.259 11.341 1.00 41.24 H new ATOM 0 HB2 ASN A 680 10.427 17.056 11.937 1.00 51.00 H new ATOM 0 HB3 ASN A 680 10.635 15.354 12.298 1.00 51.00 H new ATOM 0 HD21 ASN A 680 12.736 17.777 14.931 1.00 33.15 H new ATOM 0 HD22 ASN A 680 13.026 17.863 13.190 1.00 33.15 H new ATOM 1461 N ASN A 681 14.613 15.812 11.957 1.00 65.12 N ATOM 1462 CA ASN A 681 15.796 15.118 12.459 1.00 32.14 C ATOM 1463 C ASN A 681 16.965 16.017 12.121 1.00 74.53 C ATOM 1464 O ASN A 681 16.891 16.736 11.127 1.00 2.42 O ATOM 1465 CB ASN A 681 15.991 13.753 11.753 1.00 73.32 C ATOM 1466 CG ASN A 681 17.160 12.942 12.297 1.00 30.12 C ATOM 1467 OD1 ASN A 681 18.292 13.092 11.853 1.00 64.45 O ATOM 1468 ND2 ASN A 681 16.889 12.065 13.226 1.00 53.52 N ATOM 0 H ASN A 681 14.821 16.759 11.639 1.00 65.12 H new ATOM 0 HA ASN A 681 15.704 14.921 13.527 1.00 32.14 H new ATOM 0 HB2 ASN A 681 15.077 13.168 11.854 1.00 73.32 H new ATOM 0 HB3 ASN A 681 16.144 13.924 10.687 1.00 73.32 H new ATOM 0 HD21 ASN A 681 17.632 11.478 13.605 1.00 53.52 H new ATOM 0 HD22 ASN A 681 15.935 11.967 13.572 1.00 53.52 H new ATOM 1474 N GLU A 682 18.019 16.000 12.917 1.00 64.22 N ATOM 1475 CA GLU A 682 19.197 16.838 12.653 1.00 63.24 C ATOM 1476 C GLU A 682 19.835 16.484 11.312 1.00 61.54 C ATOM 1477 O GLU A 682 20.248 17.357 10.561 1.00 21.42 O ATOM 1478 CB GLU A 682 20.221 16.719 13.783 1.00 61.30 C ATOM 1479 CG GLU A 682 19.708 17.215 15.126 1.00 43.31 C ATOM 1480 CD GLU A 682 20.713 17.049 16.235 1.00 41.50 C ATOM 1481 OE1 GLU A 682 21.599 17.910 16.383 1.00 35.32 O ATOM 1482 OE2 GLU A 682 20.618 16.051 16.996 1.00 13.44 O ATOM 0 H GLU A 682 18.093 15.420 13.753 1.00 64.22 H new ATOM 0 HA GLU A 682 18.861 17.874 12.606 1.00 63.24 H new ATOM 0 HB2 GLU A 682 20.521 15.676 13.881 1.00 61.30 H new ATOM 0 HB3 GLU A 682 21.114 17.284 13.514 1.00 61.30 H new ATOM 0 HG2 GLU A 682 19.440 18.268 15.040 1.00 43.31 H new ATOM 0 HG3 GLU A 682 18.797 16.674 15.384 1.00 43.31 H new ATOM 1489 N LYS A 683 19.869 15.206 11.008 1.00 64.13 N ATOM 1490 CA LYS A 683 20.418 14.719 9.766 1.00 34.22 C ATOM 1491 C LYS A 683 19.327 14.602 8.714 1.00 2.15 C ATOM 1492 O LYS A 683 19.599 14.237 7.575 1.00 15.33 O ATOM 1493 CB LYS A 683 21.021 13.350 9.993 1.00 32.31 C ATOM 1494 CG LYS A 683 22.161 13.326 10.993 1.00 22.32 C ATOM 1495 CD LYS A 683 22.607 11.903 11.283 1.00 23.15 C ATOM 1496 CE LYS A 683 22.985 11.173 10.014 1.00 31.03 C ATOM 1497 NZ LYS A 683 23.421 9.786 10.281 1.00 52.01 N ATOM 0 H LYS A 683 19.514 14.472 11.621 1.00 64.13 H new ATOM 0 HA LYS A 683 21.178 15.419 9.419 1.00 34.22 H new ATOM 0 HB2 LYS A 683 20.238 12.674 10.337 1.00 32.31 H new ATOM 0 HB3 LYS A 683 21.381 12.962 9.040 1.00 32.31 H new ATOM 0 HG2 LYS A 683 23.001 13.901 10.604 1.00 22.32 H new ATOM 0 HG3 LYS A 683 21.846 13.807 11.919 1.00 22.32 H new ATOM 0 HD2 LYS A 683 23.459 11.919 11.963 1.00 23.15 H new ATOM 0 HD3 LYS A 683 21.805 11.365 11.789 1.00 23.15 H new ATOM 0 HE2 LYS A 683 22.132 11.160 9.335 1.00 31.03 H new ATOM 0 HE3 LYS A 683 23.786 11.714 9.510 1.00 31.03 H new ATOM 0 HZ1 LYS A 683 23.671 9.322 9.384 1.00 52.01 H new ATOM 0 HZ2 LYS A 683 24.251 9.798 10.908 1.00 52.01 H new ATOM 0 HZ3 LYS A 683 22.649 9.261 10.739 1.00 52.01 H new ATOM 1511 N ARG A 684 18.095 14.923 9.115 1.00 33.22 N ATOM 1512 CA ARG A 684 16.910 14.806 8.258 1.00 10.15 C ATOM 1513 C ARG A 684 16.671 13.382 7.786 1.00 10.24 C ATOM 1514 O ARG A 684 17.278 12.915 6.826 1.00 43.14 O ATOM 1515 CB ARG A 684 16.915 15.771 7.067 1.00 23.14 C ATOM 1516 CG ARG A 684 16.611 17.224 7.384 1.00 14.54 C ATOM 1517 CD ARG A 684 17.637 17.882 8.275 1.00 15.43 C ATOM 1518 NE ARG A 684 17.264 19.264 8.534 1.00 30.01 N ATOM 1519 CZ ARG A 684 17.855 20.087 9.400 1.00 43.44 C ATOM 1520 NH1 ARG A 684 18.924 19.702 10.102 1.00 73.33 N ATOM 1521 NH2 ARG A 684 17.378 21.304 9.555 1.00 33.40 N ATOM 0 H ARG A 684 17.889 15.274 10.050 1.00 33.22 H new ATOM 0 HA ARG A 684 16.078 15.096 8.899 1.00 10.15 H new ATOM 0 HB2 ARG A 684 17.894 15.721 6.589 1.00 23.14 H new ATOM 0 HB3 ARG A 684 16.186 15.419 6.337 1.00 23.14 H new ATOM 0 HG2 ARG A 684 16.542 17.783 6.451 1.00 14.54 H new ATOM 0 HG3 ARG A 684 15.634 17.285 7.864 1.00 14.54 H new ATOM 0 HD2 ARG A 684 17.716 17.337 9.215 1.00 15.43 H new ATOM 0 HD3 ARG A 684 18.618 17.845 7.801 1.00 15.43 H new ATOM 0 HE ARG A 684 16.477 19.638 8.004 1.00 30.01 H new ATOM 0 HH11 ARG A 684 19.303 18.763 9.980 1.00 73.33 H new ATOM 0 HH12 ARG A 684 19.362 20.347 10.760 1.00 73.33 H new ATOM 0 HH21 ARG A 684 16.566 21.606 9.016 1.00 33.40 H new ATOM 0 HH22 ARG A 684 17.820 21.945 10.214 1.00 33.40 H new ATOM 1533 N THR A 685 15.792 12.702 8.457 1.00 41.14 N ATOM 1534 CA THR A 685 15.473 11.346 8.100 1.00 24.31 C ATOM 1535 C THR A 685 14.371 11.338 7.023 1.00 60.51 C ATOM 1536 O THR A 685 13.341 12.038 7.168 1.00 45.42 O ATOM 1537 CB THR A 685 15.039 10.502 9.341 1.00 30.14 C ATOM 1538 OG1 THR A 685 14.762 9.150 8.955 1.00 23.33 O ATOM 1539 CG2 THR A 685 13.810 11.097 10.021 1.00 45.42 C ATOM 0 H THR A 685 15.278 13.063 9.260 1.00 41.14 H new ATOM 0 HA THR A 685 16.374 10.882 7.699 1.00 24.31 H new ATOM 0 HB THR A 685 15.867 10.517 10.050 1.00 30.14 H new ATOM 0 HG1 THR A 685 14.493 8.633 9.743 1.00 23.33 H new ATOM 0 HG21 THR A 685 13.537 10.484 10.880 1.00 45.42 H new ATOM 0 HG22 THR A 685 14.034 12.110 10.355 1.00 45.42 H new ATOM 0 HG23 THR A 685 12.980 11.123 9.315 1.00 45.42 H new ATOM 1545 N PRO A 686 14.599 10.620 5.900 1.00 72.35 N ATOM 1546 CA PRO A 686 13.614 10.488 4.833 1.00 41.50 C ATOM 1547 C PRO A 686 12.341 9.827 5.323 1.00 73.02 C ATOM 1548 O PRO A 686 12.379 8.750 5.948 1.00 23.11 O ATOM 1549 CB PRO A 686 14.301 9.599 3.790 1.00 41.31 C ATOM 1550 CG PRO A 686 15.748 9.687 4.101 1.00 54.02 C ATOM 1551 CD PRO A 686 15.846 9.910 5.581 1.00 4.14 C ATOM 0 HA PRO A 686 13.316 11.460 4.440 1.00 41.50 H new ATOM 0 HB2 PRO A 686 13.946 8.570 3.853 1.00 41.31 H new ATOM 0 HB3 PRO A 686 14.093 9.946 2.778 1.00 41.31 H new ATOM 0 HG2 PRO A 686 16.265 8.772 3.810 1.00 54.02 H new ATOM 0 HG3 PRO A 686 16.215 10.505 3.552 1.00 54.02 H new ATOM 0 HD2 PRO A 686 15.923 8.969 6.125 1.00 4.14 H new ATOM 0 HD3 PRO A 686 16.724 10.502 5.841 1.00 4.14 H new ATOM 1559 N ARG A 687 11.234 10.488 5.067 1.00 63.33 N ATOM 1560 CA ARG A 687 9.918 10.013 5.416 1.00 41.15 C ATOM 1561 C ARG A 687 9.671 8.613 4.832 1.00 73.32 C ATOM 1562 O ARG A 687 10.155 8.285 3.743 1.00 65.34 O ATOM 1563 CB ARG A 687 8.894 11.009 4.883 1.00 72.21 C ATOM 1564 CG ARG A 687 7.462 10.642 5.123 1.00 13.12 C ATOM 1565 CD ARG A 687 6.519 11.677 4.534 1.00 44.10 C ATOM 1566 NE ARG A 687 6.496 12.964 5.248 1.00 53.24 N ATOM 1567 CZ ARG A 687 6.972 14.125 4.794 1.00 11.41 C ATOM 1568 NH1 ARG A 687 7.739 14.165 3.720 1.00 11.31 N ATOM 1569 NH2 ARG A 687 6.687 15.247 5.434 1.00 3.25 N ATOM 0 H ARG A 687 11.226 11.394 4.598 1.00 63.33 H new ATOM 0 HA ARG A 687 9.828 9.933 6.499 1.00 41.15 H new ATOM 0 HB2 ARG A 687 9.085 11.981 5.339 1.00 72.21 H new ATOM 0 HB3 ARG A 687 9.048 11.125 3.810 1.00 72.21 H new ATOM 0 HG2 ARG A 687 7.256 9.667 4.682 1.00 13.12 H new ATOM 0 HG3 ARG A 687 7.282 10.552 6.194 1.00 13.12 H new ATOM 0 HD2 ARG A 687 6.801 11.857 3.497 1.00 44.10 H new ATOM 0 HD3 ARG A 687 5.510 11.265 4.523 1.00 44.10 H new ATOM 0 HE ARG A 687 6.077 12.969 6.178 1.00 53.24 H new ATOM 0 HH11 ARG A 687 7.973 13.303 3.228 1.00 11.31 H new ATOM 0 HH12 ARG A 687 8.097 15.058 3.382 1.00 11.31 H new ATOM 0 HH21 ARG A 687 6.105 15.223 6.271 1.00 3.25 H new ATOM 0 HH22 ARG A 687 7.049 16.136 5.090 1.00 3.25 H new ATOM 1581 N ALA A 688 8.945 7.817 5.561 1.00 71.43 N ATOM 1582 CA ALA A 688 8.644 6.472 5.172 1.00 71.41 C ATOM 1583 C ALA A 688 7.158 6.204 5.355 1.00 12.15 C ATOM 1584 O ALA A 688 6.468 6.943 6.063 1.00 12.04 O ATOM 1585 CB ALA A 688 9.468 5.495 6.007 1.00 12.22 C ATOM 0 H ALA A 688 8.539 8.089 6.456 1.00 71.43 H new ATOM 0 HA ALA A 688 8.898 6.334 4.121 1.00 71.41 H new ATOM 0 HB1 ALA A 688 9.235 4.473 5.707 1.00 12.22 H new ATOM 0 HB2 ALA A 688 10.529 5.687 5.849 1.00 12.22 H new ATOM 0 HB3 ALA A 688 9.229 5.627 7.062 1.00 12.22 H new ATOM 1591 N THR A 689 6.676 5.182 4.709 1.00 0.55 N ATOM 1592 CA THR A 689 5.292 4.771 4.821 1.00 13.41 C ATOM 1593 C THR A 689 5.239 3.288 5.089 1.00 43.20 C ATOM 1594 O THR A 689 5.883 2.504 4.383 1.00 45.45 O ATOM 1595 CB THR A 689 4.543 5.049 3.512 1.00 15.34 C ATOM 1596 OG1 THR A 689 4.702 6.393 3.181 1.00 21.15 O ATOM 1597 CG2 THR A 689 3.064 4.744 3.640 1.00 73.32 C ATOM 0 H THR A 689 7.231 4.600 4.082 1.00 0.55 H new ATOM 0 HA THR A 689 4.826 5.330 5.633 1.00 13.41 H new ATOM 0 HB THR A 689 4.956 4.404 2.736 1.00 15.34 H new ATOM 0 HG1 THR A 689 3.916 6.703 2.685 1.00 21.15 H new ATOM 0 HG21 THR A 689 2.566 4.953 2.693 1.00 73.32 H new ATOM 0 HG22 THR A 689 2.930 3.693 3.896 1.00 73.32 H new ATOM 0 HG23 THR A 689 2.631 5.366 4.423 1.00 73.32 H new ATOM 1603 N LEU A 690 4.511 2.898 6.094 1.00 31.15 N ATOM 1604 CA LEU A 690 4.364 1.537 6.391 1.00 42.11 C ATOM 1605 C LEU A 690 2.887 1.187 6.452 1.00 72.50 C ATOM 1606 O LEU A 690 2.149 1.685 7.316 1.00 61.32 O ATOM 1607 CB LEU A 690 5.009 1.235 7.724 1.00 71.41 C ATOM 1608 CG LEU A 690 5.012 -0.215 8.131 1.00 43.23 C ATOM 1609 CD1 LEU A 690 5.834 -1.019 7.165 1.00 34.15 C ATOM 1610 CD2 LEU A 690 5.530 -0.363 9.523 1.00 4.32 C ATOM 0 H LEU A 690 4.010 3.528 6.720 1.00 31.15 H new ATOM 0 HA LEU A 690 4.846 0.944 5.614 1.00 42.11 H new ATOM 0 HB2 LEU A 690 6.040 1.589 7.697 1.00 71.41 H new ATOM 0 HB3 LEU A 690 4.495 1.809 8.495 1.00 71.41 H new ATOM 0 HG LEU A 690 3.989 -0.591 8.109 1.00 43.23 H new ATOM 0 HD11 LEU A 690 5.830 -2.066 7.468 1.00 34.15 H new ATOM 0 HD12 LEU A 690 5.411 -0.929 6.164 1.00 34.15 H new ATOM 0 HD13 LEU A 690 6.858 -0.646 7.161 1.00 34.15 H new ATOM 0 HD21 LEU A 690 5.526 -1.417 9.803 1.00 4.32 H new ATOM 0 HD22 LEU A 690 6.548 0.022 9.575 1.00 4.32 H new ATOM 0 HD23 LEU A 690 4.895 0.197 10.209 1.00 4.32 H new ATOM 1618 N ILE A 691 2.462 0.349 5.558 1.00 20.42 N ATOM 1619 CA ILE A 691 1.096 -0.121 5.542 1.00 35.35 C ATOM 1620 C ILE A 691 1.047 -1.387 6.356 1.00 50.55 C ATOM 1621 O ILE A 691 1.943 -2.204 6.261 1.00 42.54 O ATOM 1622 CB ILE A 691 0.542 -0.456 4.097 1.00 35.04 C ATOM 1623 CG1 ILE A 691 0.466 0.754 3.152 1.00 0.23 C ATOM 1624 CG2 ILE A 691 -0.830 -1.095 4.182 1.00 32.51 C ATOM 1625 CD1 ILE A 691 1.793 1.374 2.764 1.00 75.01 C ATOM 0 H ILE A 691 3.046 -0.034 4.815 1.00 20.42 H new ATOM 0 HA ILE A 691 0.475 0.681 5.940 1.00 35.35 H new ATOM 0 HB ILE A 691 1.268 -1.149 3.672 1.00 35.04 H new ATOM 0 HG12 ILE A 691 -0.050 0.448 2.242 1.00 0.23 H new ATOM 0 HG13 ILE A 691 -0.148 1.521 3.624 1.00 0.23 H new ATOM 0 HG21 ILE A 691 -1.191 -1.317 3.178 1.00 32.51 H new ATOM 0 HG22 ILE A 691 -0.766 -2.019 4.757 1.00 32.51 H new ATOM 0 HG23 ILE A 691 -1.521 -0.410 4.673 1.00 32.51 H new ATOM 0 HD11 ILE A 691 1.619 2.218 2.096 1.00 75.01 H new ATOM 0 HD12 ILE A 691 2.309 1.720 3.660 1.00 75.01 H new ATOM 0 HD13 ILE A 691 2.407 0.630 2.256 1.00 75.01 H new ATOM 1632 N THR A 692 0.070 -1.521 7.178 1.00 35.43 N ATOM 1633 CA THR A 692 -0.118 -2.725 7.908 1.00 1.13 C ATOM 1634 C THR A 692 -1.429 -3.344 7.439 1.00 14.13 C ATOM 1635 O THR A 692 -2.492 -2.712 7.549 1.00 35.44 O ATOM 1636 CB THR A 692 -0.166 -2.423 9.409 1.00 54.52 C ATOM 1637 OG1 THR A 692 0.990 -1.625 9.743 1.00 3.23 O ATOM 1638 CG2 THR A 692 -0.120 -3.715 10.218 1.00 23.14 C ATOM 0 H THR A 692 -0.625 -0.798 7.365 1.00 35.43 H new ATOM 0 HA THR A 692 0.706 -3.418 7.736 1.00 1.13 H new ATOM 0 HB THR A 692 -1.091 -1.896 9.643 1.00 54.52 H new ATOM 0 HG1 THR A 692 1.076 -1.565 10.717 1.00 3.23 H new ATOM 0 HG21 THR A 692 -0.155 -3.480 11.282 1.00 23.14 H new ATOM 0 HG22 THR A 692 -0.975 -4.339 9.956 1.00 23.14 H new ATOM 0 HG23 THR A 692 0.803 -4.251 9.995 1.00 23.14 H new ATOM 1644 N PHE A 693 -1.356 -4.531 6.882 1.00 11.54 N ATOM 1645 CA PHE A 693 -2.527 -5.196 6.372 1.00 42.43 C ATOM 1646 C PHE A 693 -3.096 -6.108 7.436 1.00 21.43 C ATOM 1647 O PHE A 693 -2.449 -7.074 7.855 1.00 74.51 O ATOM 1648 CB PHE A 693 -2.196 -6.021 5.114 1.00 75.23 C ATOM 1649 CG PHE A 693 -1.565 -5.246 3.991 1.00 34.11 C ATOM 1650 CD1 PHE A 693 -2.335 -4.548 3.080 1.00 15.42 C ATOM 1651 CD2 PHE A 693 -0.197 -5.220 3.850 1.00 71.02 C ATOM 1652 CE1 PHE A 693 -1.736 -3.836 2.050 1.00 41.01 C ATOM 1653 CE2 PHE A 693 0.402 -4.515 2.831 1.00 12.11 C ATOM 1654 CZ PHE A 693 -0.368 -3.823 1.933 1.00 24.34 C ATOM 0 H PHE A 693 -0.489 -5.057 6.771 1.00 11.54 H new ATOM 0 HA PHE A 693 -3.259 -4.436 6.101 1.00 42.43 H new ATOM 0 HB2 PHE A 693 -1.525 -6.832 5.397 1.00 75.23 H new ATOM 0 HB3 PHE A 693 -3.114 -6.480 4.747 1.00 75.23 H new ATOM 0 HD1 PHE A 693 -3.411 -4.557 3.170 1.00 15.42 H new ATOM 0 HD2 PHE A 693 0.419 -5.763 4.552 1.00 71.02 H new ATOM 0 HE1 PHE A 693 -2.345 -3.293 1.342 1.00 41.01 H new ATOM 0 HE2 PHE A 693 1.478 -4.507 2.739 1.00 12.11 H new ATOM 0 HZ PHE A 693 0.101 -3.268 1.134 1.00 24.34 H new ATOM 1664 N LEU A 694 -4.280 -5.798 7.876 1.00 2.25 N ATOM 1665 CA LEU A 694 -4.961 -6.592 8.861 1.00 5.20 C ATOM 1666 C LEU A 694 -6.107 -7.305 8.193 1.00 52.52 C ATOM 1667 O LEU A 694 -6.693 -6.787 7.231 1.00 31.11 O ATOM 1668 CB LEU A 694 -5.519 -5.730 10.030 1.00 74.22 C ATOM 1669 CG LEU A 694 -4.529 -4.939 10.916 1.00 31.52 C ATOM 1670 CD1 LEU A 694 -3.446 -5.830 11.496 1.00 14.41 C ATOM 1671 CD2 LEU A 694 -3.945 -3.733 10.199 1.00 64.32 C ATOM 0 H LEU A 694 -4.805 -4.982 7.561 1.00 2.25 H new ATOM 0 HA LEU A 694 -4.243 -7.296 9.281 1.00 5.20 H new ATOM 0 HB2 LEU A 694 -6.224 -5.015 9.605 1.00 74.22 H new ATOM 0 HB3 LEU A 694 -6.090 -6.390 10.683 1.00 74.22 H new ATOM 0 HG LEU A 694 -5.108 -4.553 11.755 1.00 31.52 H new ATOM 0 HD11 LEU A 694 -2.774 -5.232 12.111 1.00 14.41 H new ATOM 0 HD12 LEU A 694 -3.903 -6.607 12.108 1.00 14.41 H new ATOM 0 HD13 LEU A 694 -2.882 -6.292 10.686 1.00 14.41 H new ATOM 0 HD21 LEU A 694 -3.256 -3.212 10.864 1.00 64.32 H new ATOM 0 HD22 LEU A 694 -3.409 -4.063 9.309 1.00 64.32 H new ATOM 0 HD23 LEU A 694 -4.750 -3.057 9.909 1.00 64.32 H new ATOM 1679 N CYS A 695 -6.436 -8.462 8.672 1.00 32.12 N ATOM 1680 CA CYS A 695 -7.542 -9.189 8.129 1.00 64.30 C ATOM 1681 C CYS A 695 -8.716 -9.147 9.079 1.00 11.24 C ATOM 1682 O CYS A 695 -8.939 -10.076 9.866 1.00 44.32 O ATOM 1683 CB CYS A 695 -7.170 -10.639 7.755 1.00 52.52 C ATOM 1684 SG CYS A 695 -8.586 -11.662 7.182 1.00 72.31 S ATOM 0 H CYS A 695 -5.953 -8.926 9.441 1.00 32.12 H new ATOM 0 HA CYS A 695 -7.830 -8.699 7.199 1.00 64.30 H new ATOM 0 HB2 CYS A 695 -6.413 -10.616 6.971 1.00 52.52 H new ATOM 0 HB3 CYS A 695 -6.717 -11.120 8.622 1.00 52.52 H new ATOM 1689 N ASP A 696 -9.379 -8.008 9.110 1.00 5.11 N ATOM 1690 CA ASP A 696 -10.603 -7.866 9.875 1.00 3.13 C ATOM 1691 C ASP A 696 -11.797 -8.086 8.988 1.00 4.01 C ATOM 1692 O ASP A 696 -12.036 -7.283 8.067 1.00 24.15 O ATOM 1693 CB ASP A 696 -10.701 -6.493 10.542 1.00 43.00 C ATOM 1694 CG ASP A 696 -12.037 -6.276 11.239 1.00 75.45 C ATOM 1695 OD1 ASP A 696 -12.233 -6.795 12.349 1.00 41.13 O ATOM 1696 OD2 ASP A 696 -12.911 -5.574 10.678 1.00 41.41 O ATOM 0 H ASP A 696 -9.090 -7.165 8.613 1.00 5.11 H new ATOM 0 HA ASP A 696 -10.587 -8.620 10.662 1.00 3.13 H new ATOM 0 HB2 ASP A 696 -9.895 -6.387 11.268 1.00 43.00 H new ATOM 0 HB3 ASP A 696 -10.557 -5.717 9.791 1.00 43.00 H new ATOM 1701 N ARG A 697 -12.539 -9.160 9.258 1.00 1.32 N ATOM 1702 CA ARG A 697 -13.779 -9.491 8.548 1.00 2.11 C ATOM 1703 C ARG A 697 -13.566 -9.553 7.018 1.00 71.30 C ATOM 1704 O ARG A 697 -12.421 -9.637 6.531 1.00 11.04 O ATOM 1705 CB ARG A 697 -14.851 -8.454 8.913 1.00 70.31 C ATOM 1706 CG ARG A 697 -15.190 -8.422 10.401 1.00 65.55 C ATOM 1707 CD ARG A 697 -16.182 -7.323 10.714 1.00 75.22 C ATOM 1708 NE ARG A 697 -15.647 -5.992 10.384 1.00 74.21 N ATOM 1709 CZ ARG A 697 -16.389 -4.946 10.002 1.00 72.10 C ATOM 1710 NH1 ARG A 697 -17.718 -5.063 9.886 1.00 45.11 N ATOM 1711 NH2 ARG A 697 -15.800 -3.789 9.727 1.00 31.11 N ATOM 0 H ARG A 697 -12.295 -9.834 9.984 1.00 1.32 H new ATOM 0 HA ARG A 697 -14.108 -10.483 8.857 1.00 2.11 H new ATOM 0 HB2 ARG A 697 -14.508 -7.466 8.606 1.00 70.31 H new ATOM 0 HB3 ARG A 697 -15.758 -8.667 8.347 1.00 70.31 H new ATOM 0 HG2 ARG A 697 -15.603 -9.385 10.703 1.00 65.55 H new ATOM 0 HG3 ARG A 697 -14.280 -8.269 10.981 1.00 65.55 H new ATOM 0 HD2 ARG A 697 -17.102 -7.494 10.155 1.00 75.22 H new ATOM 0 HD3 ARG A 697 -16.441 -7.358 11.772 1.00 75.22 H new ATOM 0 HE ARG A 697 -14.638 -5.857 10.451 1.00 74.21 H new ATOM 0 HH11 ARG A 697 -18.171 -5.954 10.089 1.00 45.11 H new ATOM 0 HH12 ARG A 697 -18.277 -4.261 9.594 1.00 45.11 H new ATOM 0 HH21 ARG A 697 -14.787 -3.701 9.807 1.00 31.11 H new ATOM 0 HH22 ARG A 697 -16.360 -2.988 9.435 1.00 31.11 H new ATOM 1723 N ASP A 698 -14.642 -9.571 6.273 1.00 45.32 N ATOM 1724 CA ASP A 698 -14.537 -9.509 4.832 1.00 34.12 C ATOM 1725 C ASP A 698 -14.443 -8.065 4.408 1.00 10.31 C ATOM 1726 O ASP A 698 -15.381 -7.293 4.593 1.00 13.10 O ATOM 1727 CB ASP A 698 -15.732 -10.180 4.143 1.00 62.41 C ATOM 1728 CG ASP A 698 -15.670 -10.059 2.625 1.00 32.12 C ATOM 1729 OD1 ASP A 698 -14.971 -10.872 1.980 1.00 42.34 O ATOM 1730 OD2 ASP A 698 -16.319 -9.149 2.056 1.00 75.43 O ATOM 0 H ASP A 698 -15.595 -9.628 6.633 1.00 45.32 H new ATOM 0 HA ASP A 698 -13.641 -10.051 4.530 1.00 34.12 H new ATOM 0 HB2 ASP A 698 -15.763 -11.234 4.420 1.00 62.41 H new ATOM 0 HB3 ASP A 698 -16.656 -9.729 4.503 1.00 62.41 H new ATOM 1735 N ALA A 699 -13.317 -7.693 3.882 1.00 1.40 N ATOM 1736 CA ALA A 699 -13.119 -6.331 3.422 1.00 63.34 C ATOM 1737 C ALA A 699 -12.722 -6.316 1.957 1.00 35.24 C ATOM 1738 O ALA A 699 -12.515 -5.255 1.362 1.00 11.23 O ATOM 1739 CB ALA A 699 -12.072 -5.642 4.273 1.00 24.21 C ATOM 0 H ALA A 699 -12.512 -8.307 3.755 1.00 1.40 H new ATOM 0 HA ALA A 699 -14.058 -5.786 3.521 1.00 63.34 H new ATOM 0 HB1 ALA A 699 -11.931 -4.621 3.920 1.00 24.21 H new ATOM 0 HB2 ALA A 699 -12.401 -5.624 5.312 1.00 24.21 H new ATOM 0 HB3 ALA A 699 -11.129 -6.185 4.200 1.00 24.21 H new ATOM 1745 N GLY A 700 -12.642 -7.500 1.375 1.00 32.23 N ATOM 1746 CA GLY A 700 -12.255 -7.622 -0.007 1.00 33.22 C ATOM 1747 C GLY A 700 -10.833 -7.178 -0.251 1.00 54.34 C ATOM 1748 O GLY A 700 -9.897 -7.712 0.355 1.00 72.52 O ATOM 0 H GLY A 700 -12.841 -8.385 1.842 1.00 32.23 H new ATOM 0 HA2 GLY A 700 -12.367 -8.659 -0.322 1.00 33.22 H new ATOM 0 HA3 GLY A 700 -12.929 -7.027 -0.623 1.00 33.22 H new ATOM 1752 N VAL A 701 -10.684 -6.181 -1.100 1.00 50.35 N ATOM 1753 CA VAL A 701 -9.384 -5.660 -1.504 1.00 71.21 C ATOM 1754 C VAL A 701 -8.774 -4.793 -0.394 1.00 44.10 C ATOM 1755 O VAL A 701 -7.559 -4.801 -0.167 1.00 40.32 O ATOM 1756 CB VAL A 701 -9.508 -4.829 -2.815 1.00 32.15 C ATOM 1757 CG1 VAL A 701 -8.152 -4.355 -3.302 1.00 34.44 C ATOM 1758 CG2 VAL A 701 -10.218 -5.632 -3.898 1.00 60.11 C ATOM 0 H VAL A 701 -11.470 -5.700 -1.537 1.00 50.35 H new ATOM 0 HA VAL A 701 -8.726 -6.510 -1.686 1.00 71.21 H new ATOM 0 HB VAL A 701 -10.107 -3.946 -2.591 1.00 32.15 H new ATOM 0 HG11 VAL A 701 -8.276 -3.778 -4.219 1.00 34.44 H new ATOM 0 HG12 VAL A 701 -7.690 -3.729 -2.539 1.00 34.44 H new ATOM 0 HG13 VAL A 701 -7.514 -5.217 -3.499 1.00 34.44 H new ATOM 0 HG21 VAL A 701 -10.294 -5.032 -4.805 1.00 60.11 H new ATOM 0 HG22 VAL A 701 -9.651 -6.539 -4.109 1.00 60.11 H new ATOM 0 HG23 VAL A 701 -11.218 -5.900 -3.556 1.00 60.11 H new ATOM 1764 N GLY A 702 -9.615 -4.087 0.304 1.00 31.12 N ATOM 1765 CA GLY A 702 -9.173 -3.247 1.376 1.00 51.34 C ATOM 1766 C GLY A 702 -8.940 -1.807 0.972 1.00 35.42 C ATOM 1767 O GLY A 702 -8.580 -1.512 -0.178 1.00 42.11 O ATOM 0 H GLY A 702 -10.623 -4.078 0.146 1.00 31.12 H new ATOM 0 HA2 GLY A 702 -9.914 -3.274 2.175 1.00 51.34 H new ATOM 0 HA3 GLY A 702 -8.248 -3.653 1.785 1.00 51.34 H new ATOM 1771 N PHE A 703 -9.189 -0.919 1.896 1.00 20.23 N ATOM 1772 CA PHE A 703 -8.939 0.491 1.720 1.00 11.41 C ATOM 1773 C PHE A 703 -7.915 0.946 2.762 1.00 51.12 C ATOM 1774 O PHE A 703 -8.072 0.639 3.944 1.00 44.43 O ATOM 1775 CB PHE A 703 -10.256 1.280 1.863 1.00 74.23 C ATOM 1776 CG PHE A 703 -10.105 2.770 1.726 1.00 31.12 C ATOM 1777 CD1 PHE A 703 -9.877 3.345 0.489 1.00 0.02 C ATOM 1778 CD2 PHE A 703 -10.177 3.594 2.840 1.00 54.31 C ATOM 1779 CE1 PHE A 703 -9.725 4.708 0.362 1.00 74.35 C ATOM 1780 CE2 PHE A 703 -10.024 4.961 2.719 1.00 33.22 C ATOM 1781 CZ PHE A 703 -9.798 5.518 1.475 1.00 62.14 C ATOM 0 H PHE A 703 -9.578 -1.156 2.809 1.00 20.23 H new ATOM 0 HA PHE A 703 -8.540 0.678 0.723 1.00 11.41 H new ATOM 0 HB2 PHE A 703 -10.960 0.928 1.109 1.00 74.23 H new ATOM 0 HB3 PHE A 703 -10.694 1.059 2.836 1.00 74.23 H new ATOM 0 HD1 PHE A 703 -9.817 2.718 -0.388 1.00 0.02 H new ATOM 0 HD2 PHE A 703 -10.355 3.161 3.813 1.00 54.31 H new ATOM 0 HE1 PHE A 703 -9.548 5.143 -0.611 1.00 74.35 H new ATOM 0 HE2 PHE A 703 -10.081 5.592 3.593 1.00 33.22 H new ATOM 0 HZ PHE A 703 -9.679 6.587 1.375 1.00 62.14 H new ATOM 1791 N PRO A 704 -6.841 1.634 2.355 1.00 45.51 N ATOM 1792 CA PRO A 704 -5.868 2.145 3.310 1.00 70.41 C ATOM 1793 C PRO A 704 -6.407 3.355 4.079 1.00 61.50 C ATOM 1794 O PRO A 704 -6.997 4.265 3.501 1.00 34.32 O ATOM 1795 CB PRO A 704 -4.681 2.564 2.436 1.00 22.31 C ATOM 1796 CG PRO A 704 -5.246 2.776 1.064 1.00 3.33 C ATOM 1797 CD PRO A 704 -6.491 1.938 0.960 1.00 33.43 C ATOM 0 HA PRO A 704 -5.612 1.402 4.065 1.00 70.41 H new ATOM 0 HB2 PRO A 704 -4.218 3.475 2.814 1.00 22.31 H new ATOM 0 HB3 PRO A 704 -3.909 1.794 2.428 1.00 22.31 H new ATOM 0 HG2 PRO A 704 -5.477 3.829 0.902 1.00 3.33 H new ATOM 0 HG3 PRO A 704 -4.523 2.487 0.301 1.00 3.33 H new ATOM 0 HD2 PRO A 704 -7.293 2.478 0.457 1.00 33.43 H new ATOM 0 HD3 PRO A 704 -6.311 1.028 0.387 1.00 33.43 H new ATOM 1805 N GLU A 705 -6.186 3.362 5.361 1.00 72.44 N ATOM 1806 CA GLU A 705 -6.623 4.430 6.218 1.00 31.52 C ATOM 1807 C GLU A 705 -5.429 4.990 6.969 1.00 73.44 C ATOM 1808 O GLU A 705 -4.477 4.257 7.264 1.00 34.51 O ATOM 1809 CB GLU A 705 -7.695 3.918 7.179 1.00 54.32 C ATOM 1810 CG GLU A 705 -8.926 3.373 6.464 1.00 5.31 C ATOM 1811 CD GLU A 705 -10.014 2.934 7.406 1.00 4.44 C ATOM 1812 OE1 GLU A 705 -9.994 1.770 7.863 1.00 41.10 O ATOM 1813 OE2 GLU A 705 -10.923 3.751 7.697 1.00 52.21 O ATOM 0 H GLU A 705 -5.690 2.616 5.850 1.00 72.44 H new ATOM 0 HA GLU A 705 -7.062 5.230 5.623 1.00 31.52 H new ATOM 0 HB2 GLU A 705 -7.269 3.134 7.805 1.00 54.32 H new ATOM 0 HB3 GLU A 705 -7.996 4.728 7.843 1.00 54.32 H new ATOM 0 HG2 GLU A 705 -9.320 4.140 5.797 1.00 5.31 H new ATOM 0 HG3 GLU A 705 -8.632 2.529 5.841 1.00 5.31 H new ATOM 1820 N TYR A 706 -5.465 6.258 7.273 1.00 21.24 N ATOM 1821 CA TYR A 706 -4.334 6.925 7.880 1.00 21.32 C ATOM 1822 C TYR A 706 -4.507 7.131 9.385 1.00 3.12 C ATOM 1823 O TYR A 706 -5.580 7.524 9.861 1.00 14.40 O ATOM 1824 CB TYR A 706 -4.076 8.270 7.169 1.00 43.55 C ATOM 1825 CG TYR A 706 -2.925 9.088 7.737 1.00 42.22 C ATOM 1826 CD1 TYR A 706 -1.644 8.557 7.828 1.00 10.12 C ATOM 1827 CD2 TYR A 706 -3.129 10.382 8.199 1.00 25.44 C ATOM 1828 CE1 TYR A 706 -0.605 9.293 8.357 1.00 10.12 C ATOM 1829 CE2 TYR A 706 -2.096 11.119 8.731 1.00 15.44 C ATOM 1830 CZ TYR A 706 -0.837 10.572 8.809 1.00 53.31 C ATOM 1831 OH TYR A 706 0.194 11.312 9.348 1.00 30.14 O ATOM 0 H TYR A 706 -6.272 6.860 7.110 1.00 21.24 H new ATOM 0 HA TYR A 706 -3.467 6.276 7.756 1.00 21.32 H new ATOM 0 HB2 TYR A 706 -3.877 8.074 6.115 1.00 43.55 H new ATOM 0 HB3 TYR A 706 -4.985 8.869 7.216 1.00 43.55 H new ATOM 0 HD1 TYR A 706 -1.459 7.552 7.479 1.00 10.12 H new ATOM 0 HD2 TYR A 706 -4.116 10.817 8.140 1.00 25.44 H new ATOM 0 HE1 TYR A 706 0.386 8.868 8.416 1.00 10.12 H new ATOM 0 HE2 TYR A 706 -2.273 12.123 9.086 1.00 15.44 H new ATOM 0 HH TYR A 706 -0.098 11.712 10.194 1.00 30.14 H new ATOM 1841 N GLN A 707 -3.434 6.843 10.112 1.00 75.35 N ATOM 1842 CA GLN A 707 -3.315 7.092 11.556 1.00 25.44 C ATOM 1843 C GLN A 707 -3.186 8.614 11.819 1.00 41.12 C ATOM 1844 O GLN A 707 -3.544 9.420 10.973 1.00 11.24 O ATOM 1845 CB GLN A 707 -2.076 6.331 12.080 1.00 73.13 C ATOM 1846 CG GLN A 707 -2.304 4.856 12.478 1.00 11.21 C ATOM 1847 CD GLN A 707 -3.113 4.031 11.496 1.00 62.15 C ATOM 1848 OE1 GLN A 707 -4.336 3.962 11.583 1.00 44.31 O ATOM 1849 NE2 GLN A 707 -2.456 3.391 10.592 1.00 24.53 N ATOM 0 H GLN A 707 -2.598 6.419 9.710 1.00 75.35 H new ATOM 0 HA GLN A 707 -4.203 6.738 12.079 1.00 25.44 H new ATOM 0 HB2 GLN A 707 -1.303 6.364 11.312 1.00 73.13 H new ATOM 0 HB3 GLN A 707 -1.687 6.864 12.947 1.00 73.13 H new ATOM 0 HG2 GLN A 707 -1.333 4.380 12.612 1.00 11.21 H new ATOM 0 HG3 GLN A 707 -2.806 4.833 13.445 1.00 11.21 H new ATOM 0 HE21 GLN A 707 -1.440 3.470 10.548 1.00 24.53 H new ATOM 0 HE22 GLN A 707 -2.952 2.805 9.920 1.00 24.53 H new ATOM 1857 N GLU A 708 -2.707 9.010 12.975 1.00 65.41 N ATOM 1858 CA GLU A 708 -2.566 10.427 13.251 1.00 33.04 C ATOM 1859 C GLU A 708 -1.278 10.946 12.625 1.00 54.31 C ATOM 1860 O GLU A 708 -1.316 11.783 11.715 1.00 21.33 O ATOM 1861 CB GLU A 708 -2.617 10.712 14.763 1.00 10.01 C ATOM 1862 CG GLU A 708 -2.544 12.190 15.147 1.00 43.53 C ATOM 1863 CD GLU A 708 -3.640 13.015 14.513 1.00 44.43 C ATOM 1864 OE1 GLU A 708 -4.820 12.730 14.757 1.00 73.51 O ATOM 1865 OE2 GLU A 708 -3.325 13.975 13.773 1.00 30.22 O ATOM 0 H GLU A 708 -2.413 8.388 13.728 1.00 65.41 H new ATOM 0 HA GLU A 708 -3.407 10.957 12.803 1.00 33.04 H new ATOM 0 HB2 GLU A 708 -3.540 10.293 15.165 1.00 10.01 H new ATOM 0 HB3 GLU A 708 -1.792 10.186 15.244 1.00 10.01 H new ATOM 0 HG2 GLU A 708 -2.607 12.282 16.231 1.00 43.53 H new ATOM 0 HG3 GLU A 708 -1.575 12.591 14.849 1.00 43.53 H new ATOM 1872 N GLU A 709 -0.146 10.428 13.080 1.00 71.20 N ATOM 1873 CA GLU A 709 1.157 10.836 12.573 1.00 5.53 C ATOM 1874 C GLU A 709 2.236 9.979 13.258 1.00 30.21 C ATOM 1875 O GLU A 709 1.908 9.144 14.108 1.00 23.30 O ATOM 1876 CB GLU A 709 1.366 12.361 12.815 1.00 15.21 C ATOM 1877 CG GLU A 709 2.589 12.978 12.154 1.00 1.12 C ATOM 1878 CD GLU A 709 2.599 14.476 12.273 1.00 1.22 C ATOM 1879 OE1 GLU A 709 2.929 14.997 13.349 1.00 31.12 O ATOM 1880 OE2 GLU A 709 2.254 15.155 11.295 1.00 32.10 O ATOM 0 H GLU A 709 -0.104 9.715 13.809 1.00 71.20 H new ATOM 0 HA GLU A 709 1.224 10.675 11.497 1.00 5.53 H new ATOM 0 HB2 GLU A 709 0.481 12.890 12.462 1.00 15.21 H new ATOM 0 HB3 GLU A 709 1.432 12.533 13.889 1.00 15.21 H new ATOM 0 HG2 GLU A 709 3.491 12.572 12.611 1.00 1.12 H new ATOM 0 HG3 GLU A 709 2.612 12.698 11.101 1.00 1.12 H new ATOM 1887 N ASP A 710 3.477 10.160 12.875 1.00 54.23 N ATOM 1888 CA ASP A 710 4.602 9.414 13.419 1.00 1.34 C ATOM 1889 C ASP A 710 5.838 10.287 13.283 1.00 34.22 C ATOM 1890 O ASP A 710 5.771 11.340 12.635 1.00 32.40 O ATOM 1891 CB ASP A 710 4.781 8.102 12.626 1.00 44.44 C ATOM 1892 CG ASP A 710 5.942 7.225 13.094 1.00 62.43 C ATOM 1893 OD1 ASP A 710 7.084 7.416 12.606 1.00 65.02 O ATOM 1894 OD2 ASP A 710 5.727 6.324 13.935 1.00 71.01 O ATOM 0 H ASP A 710 3.745 10.841 12.164 1.00 54.23 H new ATOM 0 HA ASP A 710 4.434 9.160 14.466 1.00 1.34 H new ATOM 0 HB2 ASP A 710 3.859 7.525 12.692 1.00 44.44 H new ATOM 0 HB3 ASP A 710 4.930 8.347 11.574 1.00 44.44 H new ATOM 1899 N ASN A 711 6.939 9.874 13.884 1.00 51.11 N ATOM 1900 CA ASN A 711 8.197 10.605 13.804 1.00 64.23 C ATOM 1901 C ASN A 711 8.684 10.720 12.343 1.00 21.24 C ATOM 1902 O ASN A 711 9.271 11.741 11.965 1.00 74.45 O ATOM 1903 CB ASN A 711 9.262 9.915 14.680 1.00 52.02 C ATOM 1904 CG ASN A 711 10.614 10.627 14.691 1.00 32.25 C ATOM 1905 OD1 ASN A 711 10.700 11.848 14.532 1.00 21.41 O ATOM 1906 ND2 ASN A 711 11.669 9.872 14.895 1.00 74.22 N ATOM 0 H ASN A 711 6.989 9.022 14.443 1.00 51.11 H new ATOM 0 HA ASN A 711 8.032 11.616 14.177 1.00 64.23 H new ATOM 0 HB2 ASN A 711 8.889 9.849 15.702 1.00 52.02 H new ATOM 0 HB3 ASN A 711 9.403 8.894 14.325 1.00 52.02 H new ATOM 0 HD21 ASN A 711 12.598 10.292 14.926 1.00 74.22 H new ATOM 0 HD22 ASN A 711 11.559 8.866 15.022 1.00 74.22 H new ATOM 1912 N SER A 712 8.403 9.693 11.522 1.00 53.45 N ATOM 1913 CA SER A 712 8.751 9.739 10.095 1.00 41.33 C ATOM 1914 C SER A 712 8.134 8.592 9.270 1.00 74.03 C ATOM 1915 O SER A 712 8.082 8.672 8.044 1.00 55.30 O ATOM 1916 CB SER A 712 10.276 9.838 9.876 1.00 31.32 C ATOM 1917 OG SER A 712 10.972 8.784 10.539 1.00 23.32 O ATOM 0 H SER A 712 7.942 8.833 11.819 1.00 53.45 H new ATOM 0 HA SER A 712 8.299 10.656 9.716 1.00 41.33 H new ATOM 0 HB2 SER A 712 10.494 9.803 8.809 1.00 31.32 H new ATOM 0 HB3 SER A 712 10.635 10.799 10.243 1.00 31.32 H new ATOM 0 HG SER A 712 11.934 8.876 10.378 1.00 23.32 H new ATOM 1923 N THR A 713 7.658 7.548 9.929 1.00 24.03 N ATOM 1924 CA THR A 713 7.093 6.418 9.224 1.00 0.34 C ATOM 1925 C THR A 713 5.570 6.425 9.368 1.00 2.20 C ATOM 1926 O THR A 713 5.040 6.038 10.394 1.00 12.20 O ATOM 1927 CB THR A 713 7.657 5.084 9.764 1.00 75.42 C ATOM 1928 OG1 THR A 713 9.093 5.119 9.718 1.00 13.23 O ATOM 1929 CG2 THR A 713 7.164 3.911 8.925 1.00 42.24 C ATOM 0 H THR A 713 7.653 7.463 10.945 1.00 24.03 H new ATOM 0 HA THR A 713 7.364 6.505 8.172 1.00 0.34 H new ATOM 0 HB THR A 713 7.315 4.954 10.791 1.00 75.42 H new ATOM 0 HG1 THR A 713 9.452 4.274 10.062 1.00 13.23 H new ATOM 0 HG21 THR A 713 7.573 2.982 9.322 1.00 42.24 H new ATOM 0 HG22 THR A 713 6.075 3.872 8.959 1.00 42.24 H new ATOM 0 HG23 THR A 713 7.491 4.039 7.893 1.00 42.24 H new ATOM 1935 N TYR A 714 4.890 6.870 8.353 1.00 63.34 N ATOM 1936 CA TYR A 714 3.440 6.984 8.383 1.00 44.11 C ATOM 1937 C TYR A 714 2.817 5.603 8.369 1.00 32.53 C ATOM 1938 O TYR A 714 3.043 4.824 7.440 1.00 11.31 O ATOM 1939 CB TYR A 714 2.934 7.817 7.189 1.00 54.13 C ATOM 1940 CG TYR A 714 3.341 9.292 7.200 1.00 73.31 C ATOM 1941 CD1 TYR A 714 4.611 9.690 7.589 1.00 4.14 C ATOM 1942 CD2 TYR A 714 2.445 10.284 6.820 1.00 51.34 C ATOM 1943 CE1 TYR A 714 4.974 11.007 7.596 1.00 14.44 C ATOM 1944 CE2 TYR A 714 2.811 11.613 6.821 1.00 21.22 C ATOM 1945 CZ TYR A 714 4.078 11.965 7.212 1.00 75.12 C ATOM 1946 OH TYR A 714 4.468 13.285 7.195 1.00 2.41 O ATOM 0 H TYR A 714 5.314 7.168 7.474 1.00 63.34 H new ATOM 0 HA TYR A 714 3.147 7.496 9.300 1.00 44.11 H new ATOM 0 HB2 TYR A 714 3.302 7.363 6.269 1.00 54.13 H new ATOM 0 HB3 TYR A 714 1.846 7.758 7.161 1.00 54.13 H new ATOM 0 HD1 TYR A 714 5.329 8.943 7.893 1.00 4.14 H new ATOM 0 HD2 TYR A 714 1.445 10.009 6.519 1.00 51.34 H new ATOM 0 HE1 TYR A 714 5.969 11.291 7.905 1.00 14.44 H new ATOM 0 HE2 TYR A 714 2.105 12.372 6.516 1.00 21.22 H new ATOM 0 HH TYR A 714 5.151 13.433 7.882 1.00 2.41 H new ATOM 1956 N ASN A 715 2.070 5.285 9.399 1.00 11.11 N ATOM 1957 CA ASN A 715 1.443 3.989 9.470 1.00 33.10 C ATOM 1958 C ASN A 715 0.084 4.040 8.821 1.00 63.04 C ATOM 1959 O ASN A 715 -0.696 4.960 9.066 1.00 21.53 O ATOM 1960 CB ASN A 715 1.304 3.489 10.918 1.00 54.51 C ATOM 1961 CG ASN A 715 0.821 2.028 11.003 1.00 72.23 C ATOM 1962 OD1 ASN A 715 0.099 1.649 11.925 1.00 41.12 O ATOM 1963 ND2 ASN A 715 1.249 1.194 10.071 1.00 33.05 N ATOM 0 H ASN A 715 1.883 5.899 10.192 1.00 11.11 H new ATOM 0 HA ASN A 715 2.086 3.288 8.938 1.00 33.10 H new ATOM 0 HB2 ASN A 715 2.266 3.578 11.422 1.00 54.51 H new ATOM 0 HB3 ASN A 715 0.603 4.130 11.453 1.00 54.51 H new ATOM 0 HD21 ASN A 715 0.982 0.210 10.105 1.00 33.05 H new ATOM 0 HD22 ASN A 715 1.847 1.534 9.318 1.00 33.05 H new ATOM 1969 N PHE A 716 -0.192 3.074 7.987 1.00 10.11 N ATOM 1970 CA PHE A 716 -1.473 2.953 7.349 1.00 64.24 C ATOM 1971 C PHE A 716 -2.189 1.695 7.752 1.00 71.31 C ATOM 1972 O PHE A 716 -1.595 0.619 7.849 1.00 73.24 O ATOM 1973 CB PHE A 716 -1.380 3.113 5.838 1.00 21.05 C ATOM 1974 CG PHE A 716 -1.187 4.536 5.441 1.00 34.12 C ATOM 1975 CD1 PHE A 716 0.065 5.117 5.447 1.00 52.12 C ATOM 1976 CD2 PHE A 716 -2.276 5.304 5.078 1.00 35.13 C ATOM 1977 CE1 PHE A 716 0.224 6.442 5.099 1.00 34.15 C ATOM 1978 CE2 PHE A 716 -2.121 6.622 4.725 1.00 41.23 C ATOM 1979 CZ PHE A 716 -0.873 7.189 4.737 1.00 60.14 C ATOM 0 H PHE A 716 0.472 2.344 7.730 1.00 10.11 H new ATOM 0 HA PHE A 716 -2.083 3.782 7.708 1.00 64.24 H new ATOM 0 HB2 PHE A 716 -0.551 2.515 5.460 1.00 21.05 H new ATOM 0 HB3 PHE A 716 -2.288 2.727 5.375 1.00 21.05 H new ATOM 0 HD1 PHE A 716 0.927 4.529 5.726 1.00 52.12 H new ATOM 0 HD2 PHE A 716 -3.262 4.863 5.072 1.00 35.13 H new ATOM 0 HE1 PHE A 716 1.206 6.891 5.111 1.00 34.15 H new ATOM 0 HE2 PHE A 716 -2.980 7.210 4.439 1.00 41.23 H new ATOM 0 HZ PHE A 716 -0.751 8.226 4.461 1.00 60.14 H new ATOM 1989 N ARG A 717 -3.455 1.854 8.006 1.00 14.41 N ATOM 1990 CA ARG A 717 -4.320 0.799 8.464 1.00 23.44 C ATOM 1991 C ARG A 717 -5.061 0.273 7.242 1.00 21.24 C ATOM 1992 O ARG A 717 -5.834 0.994 6.640 1.00 21.23 O ATOM 1993 CB ARG A 717 -5.325 1.416 9.458 1.00 4.10 C ATOM 1994 CG ARG A 717 -6.145 0.441 10.284 1.00 5.31 C ATOM 1995 CD ARG A 717 -5.266 -0.308 11.274 1.00 54.12 C ATOM 1996 NE ARG A 717 -6.048 -1.148 12.186 1.00 52.24 N ATOM 1997 CZ ARG A 717 -5.554 -1.787 13.250 1.00 45.43 C ATOM 1998 NH1 ARG A 717 -4.261 -1.700 13.543 1.00 51.31 N ATOM 1999 NH2 ARG A 717 -6.356 -2.504 14.019 1.00 62.13 N ATOM 0 H ARG A 717 -3.932 2.749 7.898 1.00 14.41 H new ATOM 0 HA ARG A 717 -3.771 -0.007 8.951 1.00 23.44 H new ATOM 0 HB2 ARG A 717 -4.776 2.064 10.141 1.00 4.10 H new ATOM 0 HB3 ARG A 717 -6.012 2.051 8.899 1.00 4.10 H new ATOM 0 HG2 ARG A 717 -6.926 0.980 10.821 1.00 5.31 H new ATOM 0 HG3 ARG A 717 -6.644 -0.270 9.625 1.00 5.31 H new ATOM 0 HD2 ARG A 717 -4.557 -0.930 10.728 1.00 54.12 H new ATOM 0 HD3 ARG A 717 -4.683 0.408 11.853 1.00 54.12 H new ATOM 0 HE ARG A 717 -7.044 -1.252 11.994 1.00 52.24 H new ATOM 0 HH11 ARG A 717 -3.641 -1.144 12.954 1.00 51.31 H new ATOM 0 HH12 ARG A 717 -3.888 -2.190 14.356 1.00 51.31 H new ATOM 0 HH21 ARG A 717 -7.350 -2.568 13.799 1.00 62.13 H new ATOM 0 HH22 ARG A 717 -5.981 -2.993 14.832 1.00 62.13 H new ATOM 2011 N TRP A 718 -4.795 -0.933 6.852 1.00 13.54 N ATOM 2012 CA TRP A 718 -5.414 -1.477 5.666 1.00 44.51 C ATOM 2013 C TRP A 718 -6.090 -2.797 6.027 1.00 42.40 C ATOM 2014 O TRP A 718 -5.421 -3.751 6.412 1.00 4.34 O ATOM 2015 CB TRP A 718 -4.316 -1.707 4.597 1.00 63.11 C ATOM 2016 CG TRP A 718 -4.793 -2.013 3.192 1.00 4.24 C ATOM 2017 CD1 TRP A 718 -5.738 -2.919 2.808 1.00 12.13 C ATOM 2018 CD2 TRP A 718 -4.284 -1.436 1.971 1.00 52.35 C ATOM 2019 NE1 TRP A 718 -5.873 -2.916 1.441 1.00 15.33 N ATOM 2020 CE2 TRP A 718 -4.995 -2.020 0.907 1.00 15.11 C ATOM 2021 CE3 TRP A 718 -3.302 -0.469 1.676 1.00 35.14 C ATOM 2022 CZ2 TRP A 718 -4.766 -1.681 -0.421 1.00 63.11 C ATOM 2023 CZ3 TRP A 718 -3.078 -0.138 0.352 1.00 4.52 C ATOM 2024 CH2 TRP A 718 -3.809 -0.741 -0.676 1.00 42.22 C ATOM 0 H TRP A 718 -4.155 -1.566 7.331 1.00 13.54 H new ATOM 0 HA TRP A 718 -6.162 -0.791 5.269 1.00 44.51 H new ATOM 0 HB2 TRP A 718 -3.687 -0.818 4.557 1.00 63.11 H new ATOM 0 HB3 TRP A 718 -3.684 -2.530 4.929 1.00 63.11 H new ATOM 0 HD1 TRP A 718 -6.300 -3.549 3.482 1.00 12.13 H new ATOM 0 HE1 TRP A 718 -6.526 -3.492 0.910 1.00 15.33 H new ATOM 0 HE3 TRP A 718 -2.737 0.003 2.466 1.00 35.14 H new ATOM 0 HZ2 TRP A 718 -5.324 -2.144 -1.222 1.00 63.11 H new ATOM 0 HZ3 TRP A 718 -2.326 0.598 0.108 1.00 4.52 H new ATOM 0 HH2 TRP A 718 -3.612 -0.456 -1.699 1.00 42.22 H new ATOM 2035 N TYR A 719 -7.402 -2.841 5.948 1.00 1.34 N ATOM 2036 CA TYR A 719 -8.120 -4.073 6.203 1.00 10.35 C ATOM 2037 C TYR A 719 -8.407 -4.764 4.901 1.00 23.12 C ATOM 2038 O TYR A 719 -9.207 -4.295 4.118 1.00 63.15 O ATOM 2039 CB TYR A 719 -9.432 -3.835 6.964 1.00 63.22 C ATOM 2040 CG TYR A 719 -9.252 -3.223 8.327 1.00 25.23 C ATOM 2041 CD1 TYR A 719 -8.646 -3.934 9.344 1.00 51.22 C ATOM 2042 CD2 TYR A 719 -9.695 -1.940 8.600 1.00 63.12 C ATOM 2043 CE1 TYR A 719 -8.480 -3.386 10.592 1.00 32.31 C ATOM 2044 CE2 TYR A 719 -9.533 -1.384 9.844 1.00 54.54 C ATOM 2045 CZ TYR A 719 -8.925 -2.111 10.836 1.00 74.11 C ATOM 2046 OH TYR A 719 -8.749 -1.558 12.081 1.00 11.11 O ATOM 0 H TYR A 719 -7.992 -2.043 5.711 1.00 1.34 H new ATOM 0 HA TYR A 719 -7.488 -4.700 6.832 1.00 10.35 H new ATOM 0 HB2 TYR A 719 -10.072 -3.185 6.368 1.00 63.22 H new ATOM 0 HB3 TYR A 719 -9.955 -4.786 7.071 1.00 63.22 H new ATOM 0 HD1 TYR A 719 -8.297 -4.938 9.155 1.00 51.22 H new ATOM 0 HD2 TYR A 719 -10.176 -1.367 7.821 1.00 63.12 H new ATOM 0 HE1 TYR A 719 -8.002 -3.955 11.376 1.00 32.31 H new ATOM 0 HE2 TYR A 719 -9.882 -0.381 10.041 1.00 54.54 H new ATOM 0 HH TYR A 719 -9.118 -0.650 12.091 1.00 11.11 H new ATOM 2056 N THR A 720 -7.739 -5.850 4.658 1.00 33.11 N ATOM 2057 CA THR A 720 -7.921 -6.582 3.441 1.00 13.31 C ATOM 2058 C THR A 720 -8.058 -8.070 3.708 1.00 5.12 C ATOM 2059 O THR A 720 -7.412 -8.620 4.606 1.00 11.20 O ATOM 2060 CB THR A 720 -6.808 -6.297 2.395 1.00 34.20 C ATOM 2061 OG1 THR A 720 -7.014 -7.081 1.212 1.00 30.44 O ATOM 2062 CG2 THR A 720 -5.440 -6.576 2.942 1.00 21.23 C ATOM 0 H THR A 720 -7.053 -6.254 5.296 1.00 33.11 H new ATOM 0 HA THR A 720 -8.855 -6.228 3.004 1.00 13.31 H new ATOM 0 HB THR A 720 -6.869 -5.237 2.148 1.00 34.20 H new ATOM 0 HG1 THR A 720 -7.123 -6.487 0.440 1.00 30.44 H new ATOM 0 HG21 THR A 720 -4.692 -6.363 2.178 1.00 21.23 H new ATOM 0 HG22 THR A 720 -5.260 -5.944 3.812 1.00 21.23 H new ATOM 0 HG23 THR A 720 -5.372 -7.624 3.235 1.00 21.23 H new ATOM 2068 N SER A 721 -8.907 -8.708 2.935 1.00 62.02 N ATOM 2069 CA SER A 721 -9.170 -10.119 3.059 1.00 41.41 C ATOM 2070 C SER A 721 -7.950 -10.924 2.572 1.00 51.24 C ATOM 2071 O SER A 721 -7.730 -12.055 2.981 1.00 51.41 O ATOM 2072 CB SER A 721 -10.438 -10.486 2.260 1.00 10.23 C ATOM 2073 OG SER A 721 -10.803 -11.852 2.426 1.00 44.44 O ATOM 0 H SER A 721 -9.440 -8.253 2.194 1.00 62.02 H new ATOM 0 HA SER A 721 -9.344 -10.368 4.106 1.00 41.41 H new ATOM 0 HB2 SER A 721 -11.263 -9.850 2.580 1.00 10.23 H new ATOM 0 HB3 SER A 721 -10.270 -10.283 1.202 1.00 10.23 H new ATOM 0 HG SER A 721 -11.611 -12.040 1.905 1.00 44.44 H new ATOM 2079 N TYR A 722 -7.159 -10.314 1.711 1.00 43.33 N ATOM 2080 CA TYR A 722 -5.990 -10.969 1.140 1.00 22.35 C ATOM 2081 C TYR A 722 -4.824 -11.059 2.137 1.00 42.22 C ATOM 2082 O TYR A 722 -3.843 -11.758 1.886 1.00 11.24 O ATOM 2083 CB TYR A 722 -5.555 -10.274 -0.151 1.00 43.24 C ATOM 2084 CG TYR A 722 -6.597 -10.334 -1.250 1.00 74.34 C ATOM 2085 CD1 TYR A 722 -7.569 -9.350 -1.373 1.00 43.44 C ATOM 2086 CD2 TYR A 722 -6.608 -11.378 -2.164 1.00 23.02 C ATOM 2087 CE1 TYR A 722 -8.518 -9.403 -2.370 1.00 54.20 C ATOM 2088 CE2 TYR A 722 -7.555 -11.437 -3.167 1.00 15.51 C ATOM 2089 CZ TYR A 722 -8.507 -10.447 -3.265 1.00 4.31 C ATOM 2090 OH TYR A 722 -9.457 -10.499 -4.263 1.00 22.52 O ATOM 0 H TYR A 722 -7.304 -9.358 1.387 1.00 43.33 H new ATOM 0 HA TYR A 722 -6.281 -11.992 0.902 1.00 22.35 H new ATOM 0 HB2 TYR A 722 -5.327 -9.230 0.066 1.00 43.24 H new ATOM 0 HB3 TYR A 722 -4.634 -10.733 -0.509 1.00 43.24 H new ATOM 0 HD1 TYR A 722 -7.581 -8.527 -0.673 1.00 43.44 H new ATOM 0 HD2 TYR A 722 -5.864 -12.157 -2.090 1.00 23.02 H new ATOM 0 HE1 TYR A 722 -9.267 -8.629 -2.448 1.00 54.20 H new ATOM 0 HE2 TYR A 722 -7.549 -12.256 -3.871 1.00 15.51 H new ATOM 0 HH TYR A 722 -9.311 -11.298 -4.812 1.00 22.52 H new ATOM 2100 N ALA A 723 -4.938 -10.349 3.263 1.00 62.33 N ATOM 2101 CA ALA A 723 -3.892 -10.351 4.292 1.00 32.14 C ATOM 2102 C ALA A 723 -3.949 -11.598 5.176 1.00 24.31 C ATOM 2103 O ALA A 723 -3.136 -11.762 6.083 1.00 4.11 O ATOM 2104 CB ALA A 723 -4.001 -9.111 5.152 1.00 53.12 C ATOM 0 H ALA A 723 -5.744 -9.765 3.486 1.00 62.33 H new ATOM 0 HA ALA A 723 -2.933 -10.358 3.773 1.00 32.14 H new ATOM 0 HB1 ALA A 723 -3.219 -9.125 5.911 1.00 53.12 H new ATOM 0 HB2 ALA A 723 -3.885 -8.224 4.528 1.00 53.12 H new ATOM 0 HB3 ALA A 723 -4.977 -9.089 5.637 1.00 53.12 H new ATOM 2110 N CYS A 724 -4.904 -12.446 4.925 1.00 52.34 N ATOM 2111 CA CYS A 724 -5.053 -13.669 5.671 1.00 21.04 C ATOM 2112 C CYS A 724 -5.213 -14.845 4.714 1.00 2.25 C ATOM 2113 O CYS A 724 -5.869 -14.713 3.674 1.00 70.35 O ATOM 2114 CB CYS A 724 -6.245 -13.552 6.639 1.00 12.10 C ATOM 2115 SG CYS A 724 -7.791 -12.976 5.848 1.00 21.24 S ATOM 0 H CYS A 724 -5.605 -12.312 4.196 1.00 52.34 H new ATOM 0 HA CYS A 724 -4.158 -13.846 6.268 1.00 21.04 H new ATOM 0 HB2 CYS A 724 -6.424 -14.524 7.098 1.00 12.10 H new ATOM 0 HB3 CYS A 724 -5.982 -12.864 7.442 1.00 12.10 H new ATOM 2120 N PRO A 725 -4.568 -15.987 5.013 1.00 70.23 N ATOM 2121 CA PRO A 725 -4.651 -17.188 4.176 1.00 1.43 C ATOM 2122 C PRO A 725 -6.059 -17.806 4.192 1.00 24.22 C ATOM 2123 O PRO A 725 -6.869 -17.490 3.288 1.00 37.85 O ATOM 2124 CB PRO A 725 -3.618 -18.141 4.802 1.00 2.45 C ATOM 2125 CG PRO A 725 -3.464 -17.677 6.210 1.00 61.30 C ATOM 2126 CD PRO A 725 -3.690 -16.193 6.189 1.00 21.53 C ATOM 2127 OXT PRO A 725 -6.368 -18.596 5.101 1.00 37.85 O ATOM 0 HA PRO A 725 -4.452 -16.973 3.126 1.00 1.43 H new ATOM 0 HB2 PRO A 725 -3.961 -19.175 4.763 1.00 2.45 H new ATOM 0 HB3 PRO A 725 -2.669 -18.100 4.267 1.00 2.45 H new ATOM 0 HG2 PRO A 725 -4.183 -18.171 6.864 1.00 61.30 H new ATOM 0 HG3 PRO A 725 -2.471 -17.914 6.592 1.00 61.30 H new ATOM 0 HD2 PRO A 725 -4.164 -15.847 7.108 1.00 21.53 H new ATOM 0 HD3 PRO A 725 -2.752 -15.647 6.089 1.00 21.53 H new TER 2135 PRO A 725