USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1100 hydrogens (14 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 NoAdj-H: B 36 ALY H2 : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD Set 1.1: A 789 MET CE :methyl -128:sc= -12.3! (180deg=-16.6!) USER MOD Set 1.2: A 793 GLN : amide:sc= -6.1! C(o=-19!,f=-21!) USER MOD Set 1.3: A 832 LYS NZ :NH3+ -123:sc= -0.797 (180deg=-0.507) USER MOD Set 2.1: A 774 SER OG : rot -32:sc= 1.12 USER MOD Set 2.2: A 778 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.263) USER MOD Set 3.1: A 773 MET CE :methyl -114:sc= -10.9! (180deg=-12.9!) USER MOD Set 3.2: A 782 TYR OH : rot -21:sc= -5.87! USER MOD Set 4.1: A 744 SER OG : rot -40:sc= 0.278 USER MOD Set 4.2: A 812 CYS SG : rot 180:sc= -0.81! USER MOD Set 5.1: A 729 TYR OH : rot 165:sc= 0.469 USER MOD Set 5.2: A 733 LYS NZ :NH3+ -161:sc= 0.498 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 717 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 718 MET CE :methyl -138:sc= -0.147 (180deg=-0.686) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 720 LYS NZ :NH3+ 147:sc= 0.67 (180deg=0.111) USER MOD Single : A 727 GLN : amide:sc= -2.08! C(o=-2.1!,f=-8.3!) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 66:sc= 1.26 USER MOD Single : A 734 SER OG : rot 180:sc= 0 USER MOD Single : A 737 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.2) USER MOD Single : A 738 GLN : amide:sc= -7.87! C(o=-7.9!,f=-3.1!) USER MOD Single : A 740 LYS NZ :NH3+ 157:sc= -4.74! (180deg=-6.19!) USER MOD Single : A 741 SER OG : rot -25:sc= 0.83 USER MOD Single : A 742 HIS : no HD1:sc= -10.7! C(o=-11!,f=-19!) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 MET CE :methyl -106:sc= -4.09! (180deg=-8!) USER MOD Single : A 753 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 760 TYR OH : rot 50:sc= -0.498 USER MOD Single : A 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl 143:sc= -6.73! (180deg=-10.9!) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 772 THR OG1 : rot 51:sc= 1.06 USER MOD Single : A 779 ASN : amide:sc= -6.87! C(o=-6.9!,f=-3.4!) USER MOD Single : A 781 TYR OH : rot 180:sc= -1.19! USER MOD Single : A 784 SER OG : rot 38:sc= 0.953 USER MOD Single : A 785 LYS NZ :NH3+ 159:sc= -0.0502 (180deg=-0.331) USER MOD Single : A 786 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 797 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 798 ASN : amide:sc= -7.21! C(o=-7.2!,f=-8.5!) USER MOD Single : A 799 CYS SG : rot 153:sc= -10.7! USER MOD Single : A 800 LYS NZ :NH3+ -133:sc= -3.44! (180deg=-4.64!) USER MOD Single : A 802 TYR OH : rot 68:sc= -0.344 USER MOD Single : A 803 ASN : amide:sc= -0.58 K(o=-0.58,f=-1.5) USER MOD Single : A 807 SER OG : rot 180:sc= -0.84 USER MOD Single : A 809 TYR OH : rot 30:sc= -1.54! USER MOD Single : A 810 TYR OH : rot 126:sc= 0.0071 USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 ASN : amide:sc= -0.243 K(o=-0.24,f=-0.93) USER MOD Single : A 818 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 SER OG : rot 180:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 825 LYS NZ :NH3+ -162:sc= -0.2 (180deg=-0.582) USER MOD Single : B 31 SER OG : rot 38:sc= 0.0588 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 169:sc= -0.0209 (180deg=-0.187) USER MOD Single : B 39 HIS : no HE2:sc= -2.02 K(o=-2,f=-4.1!) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 166:sc= -0.0434 (180deg=-0.3) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -27.602 12.120 -4.485 1.00 0.00 N ATOM 2 CA GLY A 715 -27.228 13.478 -4.000 1.00 0.00 C ATOM 3 C GLY A 715 -26.754 13.470 -2.561 1.00 0.00 C ATOM 4 O GLY A 715 -25.682 13.990 -2.251 1.00 0.00 O ATOM 0 HA2 GLY A 715 -26.441 13.883 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -28.087 14.143 -4.093 1.00 0.00 H new ATOM 10 N SER A 716 -27.552 12.875 -1.680 1.00 0.00 N ATOM 11 CA SER A 716 -27.211 12.803 -0.265 1.00 0.00 C ATOM 12 C SER A 716 -26.423 11.533 0.044 1.00 0.00 C ATOM 13 O SER A 716 -26.408 11.062 1.181 1.00 0.00 O ATOM 14 CB SER A 716 -28.479 12.854 0.589 1.00 0.00 C ATOM 15 OG SER A 716 -29.186 14.066 0.383 1.00 0.00 O ATOM 0 H SER A 716 -28.440 12.436 -1.922 1.00 0.00 H new ATOM 0 HA SER A 716 -26.585 13.662 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 716 -29.121 12.009 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 716 -28.216 12.758 1.642 1.00 0.00 H new ATOM 0 HG SER A 716 -29.993 14.073 0.939 1.00 0.00 H new ATOM 21 N HIS A 717 -25.770 10.984 -0.976 1.00 0.00 N ATOM 22 CA HIS A 717 -24.978 9.769 -0.812 1.00 0.00 C ATOM 23 C HIS A 717 -23.508 10.104 -0.576 1.00 0.00 C ATOM 24 O HIS A 717 -22.651 9.810 -1.410 1.00 0.00 O ATOM 25 CB HIS A 717 -25.122 8.871 -2.043 1.00 0.00 C ATOM 26 CG HIS A 717 -26.492 8.291 -2.204 1.00 0.00 C ATOM 27 ND1 HIS A 717 -27.452 8.842 -3.026 1.00 0.00 N ATOM 28 CD2 HIS A 717 -27.061 7.197 -1.643 1.00 0.00 C ATOM 29 CE1 HIS A 717 -28.554 8.114 -2.962 1.00 0.00 C ATOM 30 NE2 HIS A 717 -28.342 7.110 -2.132 1.00 0.00 N ATOM 0 H HIS A 717 -25.773 11.361 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 717 -25.352 9.236 0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -24.874 9.447 -2.934 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -24.398 8.059 -1.977 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -26.595 6.520 -0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -29.471 8.308 -3.498 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -29.020 6.386 -1.892 1.00 0.00 H new ATOM 39 N MET A 718 -23.223 10.720 0.567 1.00 0.00 N ATOM 40 CA MET A 718 -21.857 11.094 0.916 1.00 0.00 C ATOM 41 C MET A 718 -21.129 9.930 1.581 1.00 0.00 C ATOM 42 O MET A 718 -19.955 9.682 1.307 1.00 0.00 O ATOM 43 CB MET A 718 -21.861 12.311 1.845 1.00 0.00 C ATOM 44 CG MET A 718 -20.471 12.760 2.267 1.00 0.00 C ATOM 45 SD MET A 718 -20.502 14.216 3.331 1.00 0.00 S ATOM 46 CE MET A 718 -21.216 15.433 2.226 1.00 0.00 C ATOM 0 H MET A 718 -23.920 10.971 1.268 1.00 0.00 H new ATOM 0 HA MET A 718 -21.329 11.351 -0.002 1.00 0.00 H new ATOM 0 HB2 MET A 718 -22.364 13.138 1.344 1.00 0.00 H new ATOM 0 HB3 MET A 718 -22.444 12.076 2.736 1.00 0.00 H new ATOM 0 HG2 MET A 718 -19.973 11.943 2.790 1.00 0.00 H new ATOM 0 HG3 MET A 718 -19.879 12.977 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 718 -20.686 16.379 2.335 1.00 0.00 H new ATOM 0 HE2 MET A 718 -21.129 15.085 1.197 1.00 0.00 H new ATOM 0 HE3 MET A 718 -22.268 15.576 2.473 1.00 0.00 H new ATOM 56 N SER A 719 -21.835 9.221 2.458 1.00 0.00 N ATOM 57 CA SER A 719 -21.257 8.082 3.162 1.00 0.00 C ATOM 58 C SER A 719 -21.484 6.790 2.385 1.00 0.00 C ATOM 59 O SER A 719 -22.451 6.068 2.629 1.00 0.00 O ATOM 60 CB SER A 719 -21.859 7.962 4.564 1.00 0.00 C ATOM 61 OG SER A 719 -21.291 6.874 5.273 1.00 0.00 O ATOM 0 H SER A 719 -22.807 9.416 2.697 1.00 0.00 H new ATOM 0 HA SER A 719 -20.183 8.248 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 719 -21.691 8.887 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 719 -22.938 7.827 4.489 1.00 0.00 H new ATOM 0 HG SER A 719 -21.692 6.820 6.166 1.00 0.00 H new ATOM 67 N LYS A 720 -20.586 6.504 1.447 1.00 0.00 N ATOM 68 CA LYS A 720 -20.687 5.298 0.634 1.00 0.00 C ATOM 69 C LYS A 720 -19.585 4.305 0.992 1.00 0.00 C ATOM 70 O LYS A 720 -18.538 4.686 1.514 1.00 0.00 O ATOM 71 CB LYS A 720 -20.616 5.651 -0.854 1.00 0.00 C ATOM 72 CG LYS A 720 -19.426 6.521 -1.220 1.00 0.00 C ATOM 73 CD LYS A 720 -19.483 6.953 -2.677 1.00 0.00 C ATOM 74 CE LYS A 720 -18.442 8.017 -2.981 1.00 0.00 C ATOM 75 NZ LYS A 720 -18.513 8.473 -4.397 1.00 0.00 N ATOM 0 H LYS A 720 -19.780 7.091 1.232 1.00 0.00 H new ATOM 0 HA LYS A 720 -21.650 4.830 0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -20.573 4.730 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -21.533 6.166 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -19.406 7.402 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -18.502 5.972 -1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -19.321 6.089 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -20.477 7.338 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -18.589 8.869 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -17.447 7.621 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -18.255 9.479 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -17.853 7.914 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -19.481 8.344 -4.755 1.00 0.00 H new ATOM 89 N GLU A 721 -19.833 3.029 0.707 1.00 0.00 N ATOM 90 CA GLU A 721 -18.872 1.971 1.001 1.00 0.00 C ATOM 91 C GLU A 721 -19.341 0.638 0.421 1.00 0.00 C ATOM 92 O GLU A 721 -20.404 0.129 0.776 1.00 0.00 O ATOM 93 CB GLU A 721 -18.667 1.843 2.512 1.00 0.00 C ATOM 94 CG GLU A 721 -17.668 0.766 2.904 1.00 0.00 C ATOM 95 CD GLU A 721 -17.393 0.744 4.394 1.00 0.00 C ATOM 96 OE1 GLU A 721 -18.263 0.266 5.152 1.00 0.00 O ATOM 97 OE2 GLU A 721 -16.306 1.201 4.804 1.00 0.00 O ATOM 0 H GLU A 721 -20.695 2.703 0.271 1.00 0.00 H new ATOM 0 HA GLU A 721 -17.922 2.235 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -18.328 2.801 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -19.626 1.626 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -18.048 -0.207 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -16.733 0.929 2.368 1.00 0.00 H new ATOM 104 N PRO A 722 -18.534 0.066 -0.485 1.00 0.00 N ATOM 105 CA PRO A 722 -18.811 -1.213 -1.154 1.00 0.00 C ATOM 106 C PRO A 722 -19.170 -2.333 -0.178 1.00 0.00 C ATOM 107 O PRO A 722 -20.056 -3.140 -0.451 1.00 0.00 O ATOM 108 CB PRO A 722 -17.477 -1.477 -1.843 1.00 0.00 C ATOM 109 CG PRO A 722 -17.041 -0.129 -2.194 1.00 0.00 C ATOM 110 CD PRO A 722 -17.253 0.615 -0.951 1.00 0.00 C ATOM 0 HA PRO A 722 -19.672 -1.176 -1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -16.768 -1.975 -1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -17.591 -2.110 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -15.996 -0.110 -2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -17.625 0.283 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.451 0.447 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -17.307 1.690 -1.122 1.00 0.00 H new ATOM 118 N ARG A 723 -18.474 -2.363 0.959 1.00 0.00 N ATOM 119 CA ARG A 723 -18.698 -3.369 2.002 1.00 0.00 C ATOM 120 C ARG A 723 -18.535 -4.795 1.481 1.00 0.00 C ATOM 121 O ARG A 723 -17.524 -5.440 1.759 1.00 0.00 O ATOM 122 CB ARG A 723 -20.063 -3.195 2.654 1.00 0.00 C ATOM 123 CG ARG A 723 -20.187 -4.020 3.915 1.00 0.00 C ATOM 124 CD ARG A 723 -19.286 -3.485 5.015 1.00 0.00 C ATOM 125 NE ARG A 723 -19.626 -2.113 5.384 1.00 0.00 N ATOM 126 CZ ARG A 723 -20.022 -1.752 6.601 1.00 0.00 C ATOM 127 NH1 ARG A 723 -20.132 -2.659 7.564 1.00 0.00 N ATOM 128 NH2 ARG A 723 -20.311 -0.484 6.858 1.00 0.00 N ATOM 0 H ARG A 723 -17.739 -1.692 1.184 1.00 0.00 H new ATOM 0 HA ARG A 723 -17.928 -3.208 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -20.223 -2.143 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.843 -3.486 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -21.222 -4.015 4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -19.927 -5.057 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -19.366 -4.127 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -18.248 -3.525 4.684 1.00 0.00 H new ATOM 0 HE ARG A 723 -19.556 -1.391 4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -19.912 -3.636 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -20.436 -2.379 8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -20.230 0.217 6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -20.615 -0.209 7.792 1.00 0.00 H new ATOM 142 N ASP A 724 -19.534 -5.297 0.757 1.00 0.00 N ATOM 143 CA ASP A 724 -19.467 -6.643 0.196 1.00 0.00 C ATOM 144 C ASP A 724 -18.099 -6.864 -0.433 1.00 0.00 C ATOM 145 O ASP A 724 -17.473 -5.936 -0.946 1.00 0.00 O ATOM 146 CB ASP A 724 -20.618 -6.848 -0.790 1.00 0.00 C ATOM 147 CG ASP A 724 -20.494 -8.073 -1.670 1.00 0.00 C ATOM 148 OD1 ASP A 724 -20.954 -9.156 -1.249 1.00 0.00 O ATOM 149 OD2 ASP A 724 -19.964 -7.946 -2.788 1.00 0.00 O ATOM 0 H ASP A 724 -20.396 -4.793 0.546 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.584 -7.391 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -21.550 -6.915 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.692 -5.967 -1.427 1.00 0.00 H new ATOM 154 N PRO A 725 -17.633 -8.108 -0.393 1.00 0.00 N ATOM 155 CA PRO A 725 -16.316 -8.493 -0.856 1.00 0.00 C ATOM 156 C PRO A 725 -16.228 -8.598 -2.371 1.00 0.00 C ATOM 157 O PRO A 725 -15.138 -8.682 -2.935 1.00 0.00 O ATOM 158 CB PRO A 725 -16.075 -9.828 -0.140 1.00 0.00 C ATOM 159 CG PRO A 725 -17.339 -10.141 0.604 1.00 0.00 C ATOM 160 CD PRO A 725 -18.394 -9.264 0.036 1.00 0.00 C ATOM 0 HA PRO A 725 -15.551 -7.751 -0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -15.840 -10.616 -0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.229 -9.755 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -17.606 -11.192 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.216 -9.958 1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -18.915 -9.740 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -19.149 -9.002 0.778 1.00 0.00 H new ATOM 168 N ASP A 726 -17.384 -8.594 -3.022 1.00 0.00 N ATOM 169 CA ASP A 726 -17.447 -8.632 -4.477 1.00 0.00 C ATOM 170 C ASP A 726 -17.528 -7.208 -5.004 1.00 0.00 C ATOM 171 O ASP A 726 -16.893 -6.873 -6.005 1.00 0.00 O ATOM 172 CB ASP A 726 -18.644 -9.458 -4.959 1.00 0.00 C ATOM 173 CG ASP A 726 -18.689 -9.583 -6.468 1.00 0.00 C ATOM 174 OD1 ASP A 726 -18.030 -10.495 -7.008 1.00 0.00 O ATOM 175 OD2 ASP A 726 -19.386 -8.768 -7.110 1.00 0.00 O ATOM 0 H ASP A 726 -18.294 -8.565 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.547 -9.113 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -18.598 -10.453 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -19.566 -8.995 -4.608 1.00 0.00 H new ATOM 180 N GLN A 727 -18.316 -6.364 -4.326 1.00 0.00 N ATOM 181 CA GLN A 727 -18.415 -4.973 -4.725 1.00 0.00 C ATOM 182 C GLN A 727 -17.047 -4.354 -4.580 1.00 0.00 C ATOM 183 O GLN A 727 -16.586 -3.636 -5.455 1.00 0.00 O ATOM 184 CB GLN A 727 -19.431 -4.200 -3.903 1.00 0.00 C ATOM 185 CG GLN A 727 -20.800 -4.826 -3.901 1.00 0.00 C ATOM 186 CD GLN A 727 -21.800 -4.068 -3.048 1.00 0.00 C ATOM 187 OE1 GLN A 727 -21.953 -4.338 -1.858 1.00 0.00 O ATOM 188 NE2 GLN A 727 -22.491 -3.112 -3.658 1.00 0.00 N ATOM 0 H GLN A 727 -18.880 -6.622 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.761 -4.928 -5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.073 -4.123 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.505 -3.184 -4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.171 -4.878 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -20.724 -5.851 -3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -22.333 -2.920 -4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -23.180 -2.569 -3.137 1.00 0.00 H new ATOM 197 N LEU A 728 -16.391 -4.684 -3.467 1.00 0.00 N ATOM 198 CA LEU A 728 -15.050 -4.202 -3.189 1.00 0.00 C ATOM 199 C LEU A 728 -14.094 -4.804 -4.186 1.00 0.00 C ATOM 200 O LEU A 728 -13.396 -4.096 -4.886 1.00 0.00 O ATOM 201 CB LEU A 728 -14.626 -4.582 -1.775 1.00 0.00 C ATOM 202 CG LEU A 728 -15.147 -3.667 -0.685 1.00 0.00 C ATOM 203 CD1 LEU A 728 -14.992 -4.319 0.677 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.398 -2.350 -0.748 1.00 0.00 C ATOM 0 H LEU A 728 -16.776 -5.289 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.038 -3.115 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.966 -5.597 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.537 -4.595 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.210 -3.481 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.371 -3.647 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.555 -5.252 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -13.938 -4.526 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -14.766 -1.684 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.333 -2.530 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -14.556 -1.888 -1.723 1.00 0.00 H new ATOM 216 N TYR A 729 -14.099 -6.120 -4.277 1.00 0.00 N ATOM 217 CA TYR A 729 -13.228 -6.804 -5.206 1.00 0.00 C ATOM 218 C TYR A 729 -13.084 -6.007 -6.479 1.00 0.00 C ATOM 219 O TYR A 729 -11.999 -5.530 -6.785 1.00 0.00 O ATOM 220 CB TYR A 729 -13.818 -8.175 -5.519 1.00 0.00 C ATOM 221 CG TYR A 729 -13.594 -8.647 -6.931 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.324 -8.882 -7.352 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.637 -8.862 -7.823 1.00 0.00 C ATOM 224 CE1 TYR A 729 -12.044 -9.320 -8.617 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.383 -9.304 -9.111 1.00 0.00 C ATOM 226 CZ TYR A 729 -13.078 -9.532 -9.505 1.00 0.00 C ATOM 227 OH TYR A 729 -12.811 -9.974 -10.781 1.00 0.00 O ATOM 0 H TYR A 729 -14.695 -6.733 -3.720 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.241 -6.917 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.389 -8.906 -4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.890 -8.147 -5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.508 -8.717 -6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.655 -8.683 -7.510 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -11.022 -9.498 -8.918 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -15.197 -9.469 -9.801 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.638 -10.299 -11.194 1.00 0.00 H new ATOM 237 N SER A 730 -14.171 -5.799 -7.189 1.00 0.00 N ATOM 238 CA SER A 730 -14.060 -5.064 -8.422 1.00 0.00 C ATOM 239 C SER A 730 -14.105 -3.558 -8.228 1.00 0.00 C ATOM 240 O SER A 730 -13.713 -2.810 -9.125 1.00 0.00 O ATOM 241 CB SER A 730 -14.997 -5.566 -9.489 1.00 0.00 C ATOM 242 OG SER A 730 -15.582 -4.498 -10.216 1.00 0.00 O ATOM 0 H SER A 730 -15.109 -6.117 -6.943 1.00 0.00 H new ATOM 0 HA SER A 730 -13.058 -5.267 -8.801 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.454 -6.218 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.782 -6.168 -9.031 1.00 0.00 H new ATOM 0 HG SER A 730 -16.183 -4.859 -10.901 1.00 0.00 H new ATOM 248 N THR A 731 -14.585 -3.097 -7.075 1.00 0.00 N ATOM 249 CA THR A 731 -14.576 -1.666 -6.817 1.00 0.00 C ATOM 250 C THR A 731 -13.135 -1.296 -6.828 1.00 0.00 C ATOM 251 O THR A 731 -12.650 -0.536 -7.662 1.00 0.00 O ATOM 252 CB THR A 731 -15.171 -1.302 -5.438 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.588 -1.123 -5.549 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.541 -0.032 -4.870 1.00 0.00 C ATOM 0 H THR A 731 -14.972 -3.674 -6.329 1.00 0.00 H new ATOM 0 HA THR A 731 -15.180 -1.143 -7.558 1.00 0.00 H new ATOM 0 HB THR A 731 -14.953 -2.124 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 731 -17.009 -1.979 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 731 -14.985 0.192 -3.900 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.467 -0.180 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.721 0.799 -5.552 1.00 0.00 H new ATOM 262 N LEU A 732 -12.475 -1.929 -5.895 1.00 0.00 N ATOM 263 CA LEU A 732 -11.070 -1.825 -5.700 1.00 0.00 C ATOM 264 C LEU A 732 -10.342 -2.213 -6.980 1.00 0.00 C ATOM 265 O LEU A 732 -9.272 -1.692 -7.272 1.00 0.00 O ATOM 266 CB LEU A 732 -10.673 -2.759 -4.582 1.00 0.00 C ATOM 267 CG LEU A 732 -11.560 -2.786 -3.340 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.417 -4.115 -2.665 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.178 -1.692 -2.381 1.00 0.00 C ATOM 0 H LEU A 732 -12.928 -2.554 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.803 -0.800 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.630 -3.770 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.662 -2.498 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.594 -2.628 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.048 -4.142 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.722 -4.906 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.377 -4.266 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.825 -1.734 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.141 -1.824 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.291 -0.724 -2.870 1.00 0.00 H new ATOM 281 N LYS A 733 -10.928 -3.141 -7.741 1.00 0.00 N ATOM 282 CA LYS A 733 -10.322 -3.576 -8.998 1.00 0.00 C ATOM 283 C LYS A 733 -10.077 -2.363 -9.865 1.00 0.00 C ATOM 284 O LYS A 733 -9.146 -2.327 -10.657 1.00 0.00 O ATOM 285 CB LYS A 733 -11.217 -4.589 -9.724 1.00 0.00 C ATOM 286 CG LYS A 733 -10.659 -5.099 -11.039 1.00 0.00 C ATOM 287 CD LYS A 733 -11.102 -6.525 -11.323 1.00 0.00 C ATOM 288 CE LYS A 733 -12.563 -6.597 -11.700 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.830 -7.661 -12.707 1.00 0.00 N ATOM 0 H LYS A 733 -11.810 -3.599 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.376 -4.074 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.390 -5.439 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.187 -4.128 -9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -10.986 -4.448 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.570 -5.054 -11.014 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.498 -6.939 -12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.923 -7.143 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -13.158 -6.786 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -12.882 -5.634 -12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.742 -7.478 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -12.072 -7.663 -13.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -12.862 -8.587 -12.234 1.00 0.00 H new ATOM 303 N SER A 734 -10.906 -1.352 -9.660 1.00 0.00 N ATOM 304 CA SER A 734 -10.802 -0.113 -10.411 1.00 0.00 C ATOM 305 C SER A 734 -9.824 0.818 -9.726 1.00 0.00 C ATOM 306 O SER A 734 -8.928 1.357 -10.376 1.00 0.00 O ATOM 307 CB SER A 734 -12.171 0.549 -10.541 1.00 0.00 C ATOM 308 OG SER A 734 -12.994 -0.150 -11.459 1.00 0.00 O ATOM 0 H SER A 734 -11.662 -1.367 -8.976 1.00 0.00 H new ATOM 0 HA SER A 734 -10.436 -0.335 -11.414 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.656 0.581 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.049 1.581 -10.871 1.00 0.00 H new ATOM 0 HG SER A 734 -13.865 0.295 -11.522 1.00 0.00 H new ATOM 314 N ILE A 735 -9.996 1.026 -8.415 1.00 0.00 N ATOM 315 CA ILE A 735 -9.066 1.866 -7.692 1.00 0.00 C ATOM 316 C ILE A 735 -7.674 1.372 -8.009 1.00 0.00 C ATOM 317 O ILE A 735 -6.897 2.071 -8.635 1.00 0.00 O ATOM 318 CB ILE A 735 -9.308 1.869 -6.171 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.698 2.412 -5.906 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.272 2.752 -5.469 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.761 1.373 -5.909 1.00 0.00 C ATOM 0 H ILE A 735 -10.752 0.631 -7.856 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.205 2.900 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.217 0.854 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.702 2.919 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.934 3.162 -6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.456 2.744 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.272 2.368 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.350 3.773 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.726 1.839 -5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.787 0.882 -6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.550 0.635 -5.135 1.00 0.00 H new ATOM 333 N LEU A 736 -7.404 0.130 -7.629 1.00 0.00 N ATOM 334 CA LEU A 736 -6.123 -0.503 -7.910 1.00 0.00 C ATOM 335 C LEU A 736 -5.691 -0.190 -9.323 1.00 0.00 C ATOM 336 O LEU A 736 -4.641 0.394 -9.553 1.00 0.00 O ATOM 337 CB LEU A 736 -6.238 -2.018 -7.759 1.00 0.00 C ATOM 338 CG LEU A 736 -5.197 -2.642 -6.860 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.449 -4.109 -6.796 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.800 -2.316 -7.324 1.00 0.00 C ATOM 0 H LEU A 736 -8.061 -0.463 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.388 -0.118 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.227 -2.257 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.167 -2.475 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.277 -2.227 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.706 -4.578 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.446 -4.290 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.380 -4.534 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.076 -2.781 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.655 -2.696 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.658 -1.235 -7.318 1.00 0.00 H new ATOM 352 N GLN A 737 -6.529 -0.599 -10.258 1.00 0.00 N ATOM 353 CA GLN A 737 -6.289 -0.377 -11.677 1.00 0.00 C ATOM 354 C GLN A 737 -5.833 1.058 -11.946 1.00 0.00 C ATOM 355 O GLN A 737 -5.013 1.313 -12.829 1.00 0.00 O ATOM 356 CB GLN A 737 -7.580 -0.687 -12.444 1.00 0.00 C ATOM 357 CG GLN A 737 -7.656 -2.106 -12.973 1.00 0.00 C ATOM 358 CD GLN A 737 -8.868 -2.340 -13.853 1.00 0.00 C ATOM 359 OE1 GLN A 737 -9.936 -2.717 -13.371 1.00 0.00 O ATOM 360 NE2 GLN A 737 -8.707 -2.118 -15.152 1.00 0.00 N ATOM 0 H GLN A 737 -7.397 -1.095 -10.057 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.489 -1.036 -12.014 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.432 -0.508 -11.788 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.670 0.007 -13.280 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.752 -2.326 -13.541 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -7.682 -2.801 -12.134 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -7.803 -1.806 -15.508 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -9.487 -2.259 -15.794 1.00 0.00 H new ATOM 369 N GLN A 738 -6.346 1.978 -11.147 1.00 0.00 N ATOM 370 CA GLN A 738 -6.038 3.397 -11.283 1.00 0.00 C ATOM 371 C GLN A 738 -4.734 3.787 -10.574 1.00 0.00 C ATOM 372 O GLN A 738 -3.822 4.333 -11.194 1.00 0.00 O ATOM 373 CB GLN A 738 -7.208 4.209 -10.730 1.00 0.00 C ATOM 374 CG GLN A 738 -8.443 4.125 -11.608 1.00 0.00 C ATOM 375 CD GLN A 738 -9.698 4.625 -10.921 1.00 0.00 C ATOM 376 OE1 GLN A 738 -10.585 5.192 -11.560 1.00 0.00 O ATOM 377 NE2 GLN A 738 -9.787 4.406 -9.615 1.00 0.00 N ATOM 0 H GLN A 738 -6.989 1.765 -10.384 1.00 0.00 H new ATOM 0 HA GLN A 738 -5.891 3.613 -12.341 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.453 3.852 -9.730 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.907 5.252 -10.631 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.277 4.706 -12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.593 3.090 -11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -9.028 3.932 -9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -10.614 4.711 -9.102 1.00 0.00 H new ATOM 386 N VAL A 739 -4.660 3.508 -9.276 1.00 0.00 N ATOM 387 CA VAL A 739 -3.503 3.811 -8.470 1.00 0.00 C ATOM 388 C VAL A 739 -2.282 3.155 -9.081 1.00 0.00 C ATOM 389 O VAL A 739 -1.172 3.655 -8.977 1.00 0.00 O ATOM 390 CB VAL A 739 -3.692 3.278 -7.025 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.143 2.999 -6.692 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.848 2.048 -6.816 1.00 0.00 C ATOM 0 H VAL A 739 -5.415 3.060 -8.757 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.374 4.893 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.363 4.062 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.217 2.628 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.721 3.918 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.536 2.250 -7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.986 1.680 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.148 1.276 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.798 2.296 -6.972 1.00 0.00 H new ATOM 402 N LYS A 740 -2.523 2.018 -9.709 1.00 0.00 N ATOM 403 CA LYS A 740 -1.483 1.240 -10.346 1.00 0.00 C ATOM 404 C LYS A 740 -1.144 1.841 -11.689 1.00 0.00 C ATOM 405 O LYS A 740 0.012 1.842 -12.106 1.00 0.00 O ATOM 406 CB LYS A 740 -1.958 -0.200 -10.482 1.00 0.00 C ATOM 407 CG LYS A 740 -1.184 -1.044 -11.481 1.00 0.00 C ATOM 408 CD LYS A 740 -2.129 -1.829 -12.382 1.00 0.00 C ATOM 409 CE LYS A 740 -2.710 -3.051 -11.678 1.00 0.00 C ATOM 410 NZ LYS A 740 -3.583 -2.678 -10.531 1.00 0.00 N ATOM 0 H LYS A 740 -3.454 1.608 -9.790 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.577 1.251 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -1.901 -0.679 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -3.009 -0.194 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -0.547 -0.401 -12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -0.528 -1.733 -10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -2.941 -1.179 -12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -1.595 -2.147 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -3.284 -3.641 -12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -1.897 -3.684 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -4.245 -3.455 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -2.996 -2.499 -9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -4.119 -1.819 -10.768 1.00 0.00 H new ATOM 424 N SER A 741 -2.160 2.343 -12.374 1.00 0.00 N ATOM 425 CA SER A 741 -1.938 2.981 -13.650 1.00 0.00 C ATOM 426 C SER A 741 -1.315 4.352 -13.421 1.00 0.00 C ATOM 427 O SER A 741 -0.952 5.054 -14.364 1.00 0.00 O ATOM 428 CB SER A 741 -3.247 3.121 -14.420 1.00 0.00 C ATOM 429 OG SER A 741 -4.098 4.079 -13.816 1.00 0.00 O ATOM 0 H SER A 741 -3.133 2.319 -12.068 1.00 0.00 H new ATOM 0 HA SER A 741 -1.262 2.365 -14.243 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.037 3.415 -15.448 1.00 0.00 H new ATOM 0 HB3 SER A 741 -3.753 2.156 -14.461 1.00 0.00 H new ATOM 0 HG SER A 741 -3.874 4.162 -12.865 1.00 0.00 H new ATOM 435 N HIS A 742 -1.200 4.719 -12.144 1.00 0.00 N ATOM 436 CA HIS A 742 -0.633 6.002 -11.756 1.00 0.00 C ATOM 437 C HIS A 742 0.838 6.100 -12.169 1.00 0.00 C ATOM 438 O HIS A 742 1.587 5.130 -12.092 1.00 0.00 O ATOM 439 CB HIS A 742 -0.796 6.225 -10.237 1.00 0.00 C ATOM 440 CG HIS A 742 -0.435 7.606 -9.800 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.608 8.322 -10.333 1.00 0.00 N ATOM 442 CD2 HIS A 742 -0.999 8.405 -8.878 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.671 9.501 -9.760 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.296 9.582 -8.870 1.00 0.00 N ATOM 0 H HIS A 742 -1.496 4.138 -11.359 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.177 6.789 -12.279 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.829 6.021 -9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.173 5.508 -9.703 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.850 8.164 -8.258 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.393 10.273 -9.981 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.490 10.387 -8.274 1.00 0.00 H new ATOM 453 N GLN A 743 1.230 7.287 -12.629 1.00 0.00 N ATOM 454 CA GLN A 743 2.598 7.554 -13.056 1.00 0.00 C ATOM 455 C GLN A 743 3.585 7.432 -11.891 1.00 0.00 C ATOM 456 O GLN A 743 4.795 7.549 -12.067 1.00 0.00 O ATOM 457 CB GLN A 743 2.667 8.953 -13.651 1.00 0.00 C ATOM 458 CG GLN A 743 3.992 9.243 -14.305 1.00 0.00 C ATOM 459 CD GLN A 743 4.175 10.708 -14.654 1.00 0.00 C ATOM 460 OE1 GLN A 743 3.811 11.148 -15.744 1.00 0.00 O ATOM 461 NE2 GLN A 743 4.746 11.468 -13.727 1.00 0.00 N ATOM 0 H GLN A 743 0.606 8.089 -12.715 1.00 0.00 H new ATOM 0 HA GLN A 743 2.879 6.813 -13.804 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.871 9.070 -14.386 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.486 9.687 -12.865 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.796 8.931 -13.638 1.00 0.00 H new ATOM 0 HG3 GLN A 743 4.081 8.646 -15.212 1.00 0.00 H new ATOM 0 HE21 GLN A 743 5.032 11.059 -12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 743 4.899 12.461 -13.905 1.00 0.00 H new ATOM 470 N SER A 744 3.048 7.202 -10.706 1.00 0.00 N ATOM 471 CA SER A 744 3.850 7.052 -9.494 1.00 0.00 C ATOM 472 C SER A 744 3.736 5.643 -8.979 1.00 0.00 C ATOM 473 O SER A 744 4.181 5.315 -7.879 1.00 0.00 O ATOM 474 CB SER A 744 3.362 8.025 -8.419 1.00 0.00 C ATOM 475 OG SER A 744 3.979 9.294 -8.552 1.00 0.00 O ATOM 0 H SER A 744 2.044 7.113 -10.552 1.00 0.00 H new ATOM 0 HA SER A 744 4.891 7.270 -9.732 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.280 8.136 -8.490 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.576 7.616 -7.432 1.00 0.00 H new ATOM 0 HG SER A 744 4.925 9.176 -8.777 1.00 0.00 H new ATOM 481 N ALA A 745 3.128 4.819 -9.792 1.00 0.00 N ATOM 482 CA ALA A 745 2.888 3.446 -9.440 1.00 0.00 C ATOM 483 C ALA A 745 3.865 2.473 -10.075 1.00 0.00 C ATOM 484 O ALA A 745 3.761 1.282 -9.834 1.00 0.00 O ATOM 485 CB ALA A 745 1.468 3.104 -9.853 1.00 0.00 C ATOM 0 H ALA A 745 2.786 5.082 -10.716 1.00 0.00 H new ATOM 0 HA ALA A 745 3.032 3.344 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.255 2.066 -9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.770 3.757 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.358 3.244 -10.928 1.00 0.00 H new ATOM 491 N TRP A 746 4.813 2.944 -10.870 1.00 0.00 N ATOM 492 CA TRP A 746 5.732 2.014 -11.516 1.00 0.00 C ATOM 493 C TRP A 746 6.658 1.282 -10.531 1.00 0.00 C ATOM 494 O TRP A 746 6.982 0.119 -10.776 1.00 0.00 O ATOM 495 CB TRP A 746 6.519 2.674 -12.643 1.00 0.00 C ATOM 496 CG TRP A 746 7.059 4.018 -12.309 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.444 5.219 -12.503 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.327 4.298 -11.726 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.267 6.236 -12.090 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.428 5.694 -11.605 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.391 3.501 -11.293 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.548 6.310 -11.074 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.502 4.116 -10.758 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.571 5.507 -10.655 1.00 0.00 C ATOM 0 H TRP A 746 4.966 3.930 -11.080 1.00 0.00 H new ATOM 0 HA TRP A 746 5.101 1.245 -11.962 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.347 2.022 -12.922 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.874 2.762 -13.517 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.456 5.350 -12.920 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.050 7.232 -12.136 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.343 2.425 -11.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 9.611 7.385 -10.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.330 3.514 -10.414 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.456 5.960 -10.233 1.00 0.00 H new ATOM 515 N PRO A 747 7.118 1.898 -9.411 1.00 0.00 N ATOM 516 CA PRO A 747 7.957 1.176 -8.467 1.00 0.00 C ATOM 517 C PRO A 747 7.133 0.124 -7.752 1.00 0.00 C ATOM 518 O PRO A 747 7.667 -0.773 -7.103 1.00 0.00 O ATOM 519 CB PRO A 747 8.439 2.231 -7.463 1.00 0.00 C ATOM 520 CG PRO A 747 7.881 3.540 -7.899 1.00 0.00 C ATOM 521 CD PRO A 747 6.855 3.279 -8.966 1.00 0.00 C ATOM 0 HA PRO A 747 8.788 0.671 -8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 747 8.103 1.986 -6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.528 2.267 -7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.428 4.061 -7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.673 4.183 -8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.843 3.383 -8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.953 3.986 -9.790 1.00 0.00 H new ATOM 529 N PHE A 748 5.814 0.240 -7.909 1.00 0.00 N ATOM 530 CA PHE A 748 4.877 -0.659 -7.257 1.00 0.00 C ATOM 531 C PHE A 748 4.075 -1.473 -8.277 1.00 0.00 C ATOM 532 O PHE A 748 3.454 -2.467 -7.930 1.00 0.00 O ATOM 533 CB PHE A 748 3.922 0.148 -6.373 1.00 0.00 C ATOM 534 CG PHE A 748 4.531 1.371 -5.756 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.827 1.358 -5.321 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.807 2.541 -5.636 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.404 2.477 -4.776 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.387 3.672 -5.088 1.00 0.00 C ATOM 539 CZ PHE A 748 5.681 3.634 -4.661 1.00 0.00 C ATOM 0 H PHE A 748 5.373 0.955 -8.488 1.00 0.00 H new ATOM 0 HA PHE A 748 5.448 -1.358 -6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 748 3.061 0.448 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.550 -0.498 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.407 0.451 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.781 2.574 -5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.429 2.445 -4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.815 4.584 -4.999 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.135 4.515 -4.233 1.00 0.00 H new ATOM 549 N MET A 749 4.098 -1.045 -9.541 1.00 0.00 N ATOM 550 CA MET A 749 3.329 -1.707 -10.599 1.00 0.00 C ATOM 551 C MET A 749 3.517 -3.209 -10.559 1.00 0.00 C ATOM 552 O MET A 749 2.602 -3.980 -10.847 1.00 0.00 O ATOM 553 CB MET A 749 3.722 -1.165 -11.960 1.00 0.00 C ATOM 554 CG MET A 749 2.806 -0.054 -12.374 1.00 0.00 C ATOM 555 SD MET A 749 3.442 0.965 -13.703 1.00 0.00 S ATOM 556 CE MET A 749 2.675 2.486 -13.187 1.00 0.00 C ATOM 0 H MET A 749 4.641 -0.242 -9.858 1.00 0.00 H new ATOM 0 HA MET A 749 2.274 -1.494 -10.426 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.750 -0.803 -11.930 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.688 -1.965 -12.699 1.00 0.00 H new ATOM 0 HG2 MET A 749 1.852 -0.481 -12.683 1.00 0.00 H new ATOM 0 HG3 MET A 749 2.607 0.579 -11.509 1.00 0.00 H new ATOM 0 HE1 MET A 749 1.839 2.715 -13.848 1.00 0.00 H new ATOM 0 HE2 MET A 749 2.311 2.381 -12.165 1.00 0.00 H new ATOM 0 HE3 MET A 749 3.405 3.295 -13.231 1.00 0.00 H new ATOM 566 N GLU A 750 4.721 -3.601 -10.201 1.00 0.00 N ATOM 567 CA GLU A 750 5.089 -4.991 -10.095 1.00 0.00 C ATOM 568 C GLU A 750 6.102 -5.161 -8.979 1.00 0.00 C ATOM 569 O GLU A 750 6.812 -4.218 -8.630 1.00 0.00 O ATOM 570 CB GLU A 750 5.624 -5.495 -11.428 1.00 0.00 C ATOM 571 CG GLU A 750 6.975 -6.161 -11.335 1.00 0.00 C ATOM 572 CD GLU A 750 7.340 -6.935 -12.587 1.00 0.00 C ATOM 573 OE1 GLU A 750 7.925 -6.329 -13.509 1.00 0.00 O ATOM 574 OE2 GLU A 750 7.041 -8.146 -12.644 1.00 0.00 O ATOM 0 H GLU A 750 5.477 -2.955 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 750 4.211 -5.589 -9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 750 4.910 -6.202 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 750 5.691 -4.657 -12.121 1.00 0.00 H new ATOM 0 HG2 GLU A 750 7.736 -5.403 -11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 750 6.983 -6.838 -10.481 1.00 0.00 H new ATOM 581 N PRO A 751 6.187 -6.363 -8.401 1.00 0.00 N ATOM 582 CA PRO A 751 7.107 -6.628 -7.311 1.00 0.00 C ATOM 583 C PRO A 751 8.531 -6.475 -7.777 1.00 0.00 C ATOM 584 O PRO A 751 8.929 -7.028 -8.803 1.00 0.00 O ATOM 585 CB PRO A 751 6.812 -8.071 -6.909 1.00 0.00 C ATOM 586 CG PRO A 751 5.504 -8.381 -7.540 1.00 0.00 C ATOM 587 CD PRO A 751 5.447 -7.566 -8.787 1.00 0.00 C ATOM 0 HA PRO A 751 6.983 -5.937 -6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 751 7.591 -8.747 -7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.764 -8.178 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 751 5.421 -9.444 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.679 -8.131 -6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 751 5.912 -8.078 -9.630 1.00 0.00 H new ATOM 0 HD3 PRO A 751 4.422 -7.338 -9.078 1.00 0.00 H new ATOM 595 N VAL A 752 9.290 -5.719 -7.018 1.00 0.00 N ATOM 596 CA VAL A 752 10.671 -5.455 -7.354 1.00 0.00 C ATOM 597 C VAL A 752 11.445 -6.761 -7.487 1.00 0.00 C ATOM 598 O VAL A 752 10.950 -7.830 -7.130 1.00 0.00 O ATOM 599 CB VAL A 752 11.313 -4.479 -6.336 1.00 0.00 C ATOM 600 CG1 VAL A 752 10.281 -3.953 -5.379 1.00 0.00 C ATOM 601 CG2 VAL A 752 12.472 -5.080 -5.562 1.00 0.00 C ATOM 0 H VAL A 752 8.972 -5.273 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 752 10.711 -4.959 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 752 11.722 -3.661 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 752 10.754 -3.270 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 752 9.507 -3.423 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 752 9.833 -4.784 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 752 12.870 -4.339 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 752 12.125 -5.949 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 752 13.255 -5.385 -6.257 1.00 0.00 H new ATOM 611 N LYS A 753 12.662 -6.664 -7.992 1.00 0.00 N ATOM 612 CA LYS A 753 13.496 -7.842 -8.230 1.00 0.00 C ATOM 613 C LYS A 753 13.954 -8.466 -6.932 1.00 0.00 C ATOM 614 O LYS A 753 14.807 -9.355 -6.932 1.00 0.00 O ATOM 615 CB LYS A 753 14.727 -7.460 -9.047 1.00 0.00 C ATOM 616 CG LYS A 753 14.403 -6.653 -10.292 1.00 0.00 C ATOM 617 CD LYS A 753 14.142 -7.550 -11.492 1.00 0.00 C ATOM 618 CE LYS A 753 15.420 -8.210 -11.985 1.00 0.00 C ATOM 619 NZ LYS A 753 15.175 -9.080 -13.168 1.00 0.00 N ATOM 0 H LYS A 753 13.102 -5.780 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 753 12.890 -8.564 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 753 15.406 -6.885 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 753 15.255 -8.368 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 753 13.527 -6.031 -10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 753 15.230 -5.979 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 753 13.416 -8.317 -11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 753 13.701 -6.962 -12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 753 16.149 -7.442 -12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 753 15.855 -8.804 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 16.071 -9.511 -13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 14.499 -9.829 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 14.784 -8.509 -13.944 1.00 0.00 H new ATOM 633 N ARG A 754 13.389 -8.001 -5.828 1.00 0.00 N ATOM 634 CA ARG A 754 13.777 -8.476 -4.522 1.00 0.00 C ATOM 635 C ARG A 754 15.237 -8.125 -4.280 1.00 0.00 C ATOM 636 O ARG A 754 15.775 -8.374 -3.201 1.00 0.00 O ATOM 637 CB ARG A 754 13.577 -9.983 -4.409 1.00 0.00 C ATOM 638 CG ARG A 754 12.677 -10.400 -3.263 1.00 0.00 C ATOM 639 CD ARG A 754 12.519 -11.910 -3.196 1.00 0.00 C ATOM 640 NE ARG A 754 13.803 -12.589 -3.042 1.00 0.00 N ATOM 641 CZ ARG A 754 13.926 -13.860 -2.667 1.00 0.00 C ATOM 642 NH1 ARG A 754 12.847 -14.584 -2.401 1.00 0.00 N ATOM 643 NH2 ARG A 754 15.128 -14.407 -2.557 1.00 0.00 N ATOM 0 H ARG A 754 12.657 -7.291 -5.818 1.00 0.00 H new ATOM 0 HA ARG A 754 13.150 -7.996 -3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 754 13.155 -10.354 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 754 14.549 -10.460 -4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 754 13.091 -10.035 -2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 754 11.698 -9.936 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 754 11.869 -12.170 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 754 12.029 -12.264 -4.103 1.00 0.00 H new ATOM 0 HE ARG A 754 14.653 -12.059 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 754 11.920 -14.167 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 754 12.944 -15.558 -2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 754 15.961 -13.854 -2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 754 15.221 -15.381 -2.269 1.00 0.00 H new ATOM 657 N THR A 755 15.877 -7.536 -5.299 1.00 0.00 N ATOM 658 CA THR A 755 17.274 -7.169 -5.196 1.00 0.00 C ATOM 659 C THR A 755 17.590 -5.850 -5.896 1.00 0.00 C ATOM 660 O THR A 755 18.649 -5.271 -5.651 1.00 0.00 O ATOM 661 CB THR A 755 18.207 -8.262 -5.740 1.00 0.00 C ATOM 662 OG1 THR A 755 18.263 -8.195 -7.170 1.00 0.00 O ATOM 663 CG2 THR A 755 17.739 -9.644 -5.312 1.00 0.00 C ATOM 0 H THR A 755 15.443 -7.309 -6.194 1.00 0.00 H new ATOM 0 HA THR A 755 17.456 -7.047 -4.128 1.00 0.00 H new ATOM 0 HB THR A 755 19.202 -8.091 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.861 -8.894 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.418 -10.398 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 755 17.729 -9.704 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.734 -9.822 -5.694 1.00 0.00 H new ATOM 671 N GLU A 756 16.699 -5.360 -6.773 1.00 0.00 N ATOM 672 CA GLU A 756 16.947 -4.066 -7.391 1.00 0.00 C ATOM 673 C GLU A 756 16.955 -3.141 -6.234 1.00 0.00 C ATOM 674 O GLU A 756 17.585 -2.085 -6.202 1.00 0.00 O ATOM 675 CB GLU A 756 15.842 -3.656 -8.345 1.00 0.00 C ATOM 676 CG GLU A 756 14.484 -3.803 -7.746 1.00 0.00 C ATOM 677 CD GLU A 756 13.377 -3.373 -8.692 1.00 0.00 C ATOM 678 OE1 GLU A 756 13.194 -2.152 -8.877 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.698 -4.255 -9.257 1.00 0.00 O ATOM 0 H GLU A 756 15.836 -5.825 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 756 17.863 -4.072 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.992 -2.619 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 756 15.904 -4.262 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 756 14.328 -4.843 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 756 14.428 -3.209 -6.834 1.00 0.00 H new ATOM 686 N ALA A 757 16.205 -3.642 -5.276 1.00 0.00 N ATOM 687 CA ALA A 757 15.978 -3.071 -4.010 1.00 0.00 C ATOM 688 C ALA A 757 16.820 -3.838 -3.017 1.00 0.00 C ATOM 689 O ALA A 757 16.441 -4.880 -2.494 1.00 0.00 O ATOM 690 CB ALA A 757 14.523 -3.189 -3.748 1.00 0.00 C ATOM 0 H ALA A 757 15.711 -4.526 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 757 16.256 -2.019 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.293 -2.759 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 757 13.970 -2.655 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 757 14.236 -4.240 -3.757 1.00 0.00 H new ATOM 696 N PRO A 758 18.015 -3.338 -2.835 1.00 0.00 N ATOM 697 CA PRO A 758 19.014 -3.916 -1.947 1.00 0.00 C ATOM 698 C PRO A 758 18.536 -3.942 -0.512 1.00 0.00 C ATOM 699 O PRO A 758 18.285 -2.899 0.093 1.00 0.00 O ATOM 700 CB PRO A 758 20.212 -2.986 -2.119 1.00 0.00 C ATOM 701 CG PRO A 758 19.633 -1.725 -2.665 1.00 0.00 C ATOM 702 CD PRO A 758 18.468 -2.122 -3.489 1.00 0.00 C ATOM 0 HA PRO A 758 19.242 -4.955 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.718 -2.811 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 758 20.949 -3.411 -2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 758 19.329 -1.057 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.368 -1.188 -3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.695 -1.353 -3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.748 -2.301 -4.527 1.00 0.00 H new ATOM 710 N GLY A 759 18.415 -5.141 0.031 1.00 0.00 N ATOM 711 CA GLY A 759 17.930 -5.281 1.378 1.00 0.00 C ATOM 712 C GLY A 759 16.442 -5.022 1.434 1.00 0.00 C ATOM 713 O GLY A 759 15.866 -4.935 2.508 1.00 0.00 O ATOM 0 H GLY A 759 18.645 -6.017 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 759 18.145 -6.284 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.452 -4.583 2.033 1.00 0.00 H new ATOM 717 N TYR A 760 15.827 -4.910 0.254 1.00 0.00 N ATOM 718 CA TYR A 760 14.397 -4.661 0.128 1.00 0.00 C ATOM 719 C TYR A 760 13.584 -5.434 1.157 1.00 0.00 C ATOM 720 O TYR A 760 12.926 -4.842 1.999 1.00 0.00 O ATOM 721 CB TYR A 760 14.022 -5.069 -1.289 1.00 0.00 C ATOM 722 CG TYR A 760 12.579 -4.983 -1.683 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.772 -3.964 -1.250 1.00 0.00 C ATOM 724 CD2 TYR A 760 12.040 -5.925 -2.534 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.463 -3.885 -1.651 1.00 0.00 C ATOM 726 CE2 TYR A 760 10.729 -5.852 -2.938 1.00 0.00 C ATOM 727 CZ TYR A 760 9.946 -4.828 -2.494 1.00 0.00 C ATOM 728 OH TYR A 760 8.632 -4.743 -2.897 1.00 0.00 O ATOM 0 H TYR A 760 16.311 -4.990 -0.640 1.00 0.00 H new ATOM 0 HA TYR A 760 14.174 -3.611 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 760 14.595 -4.449 -1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 760 14.349 -6.098 -1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 760 12.172 -3.213 -0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 760 12.660 -6.735 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.840 -3.076 -1.300 1.00 0.00 H new ATOM 0 HE2 TYR A 760 10.322 -6.600 -3.602 1.00 0.00 H new ATOM 0 HH TYR A 760 8.449 -3.838 -3.226 1.00 0.00 H new ATOM 738 N TYR A 761 13.644 -6.748 1.092 1.00 0.00 N ATOM 739 CA TYR A 761 12.902 -7.598 2.019 1.00 0.00 C ATOM 740 C TYR A 761 13.396 -7.476 3.455 1.00 0.00 C ATOM 741 O TYR A 761 12.710 -7.884 4.392 1.00 0.00 O ATOM 742 CB TYR A 761 12.940 -9.044 1.548 1.00 0.00 C ATOM 743 CG TYR A 761 11.854 -9.320 0.545 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.679 -8.456 -0.513 1.00 0.00 C ATOM 745 CD2 TYR A 761 10.979 -10.390 0.678 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.668 -8.633 -1.427 1.00 0.00 C ATOM 747 CE2 TYR A 761 9.963 -10.590 -0.241 1.00 0.00 C ATOM 748 CZ TYR A 761 9.810 -9.707 -1.292 1.00 0.00 C ATOM 749 OH TYR A 761 8.795 -9.892 -2.202 1.00 0.00 O ATOM 0 H TYR A 761 14.200 -7.259 0.406 1.00 0.00 H new ATOM 0 HA TYR A 761 11.869 -7.251 2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 761 13.912 -9.259 1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 761 12.826 -9.710 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.352 -7.619 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.092 -11.073 1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.545 -7.938 -2.244 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.294 -11.431 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 761 8.284 -10.694 -1.964 1.00 0.00 H new ATOM 759 N GLU A 762 14.583 -6.920 3.624 1.00 0.00 N ATOM 760 CA GLU A 762 15.163 -6.754 4.952 1.00 0.00 C ATOM 761 C GLU A 762 14.478 -5.602 5.682 1.00 0.00 C ATOM 762 O GLU A 762 14.192 -5.679 6.878 1.00 0.00 O ATOM 763 CB GLU A 762 16.670 -6.498 4.838 1.00 0.00 C ATOM 764 CG GLU A 762 17.076 -5.096 5.249 1.00 0.00 C ATOM 765 CD GLU A 762 18.577 -4.935 5.396 1.00 0.00 C ATOM 766 OE1 GLU A 762 19.242 -4.622 4.386 1.00 0.00 O ATOM 767 OE2 GLU A 762 19.087 -5.122 6.520 1.00 0.00 O ATOM 0 H GLU A 762 15.166 -6.575 2.861 1.00 0.00 H new ATOM 0 HA GLU A 762 15.008 -7.668 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 762 17.201 -7.219 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 762 16.984 -6.672 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.710 -4.385 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.595 -4.846 6.195 1.00 0.00 H new ATOM 774 N VAL A 763 14.224 -4.539 4.936 1.00 0.00 N ATOM 775 CA VAL A 763 13.578 -3.346 5.448 1.00 0.00 C ATOM 776 C VAL A 763 12.097 -3.484 5.316 1.00 0.00 C ATOM 777 O VAL A 763 11.323 -3.072 6.182 1.00 0.00 O ATOM 778 CB VAL A 763 14.026 -2.087 4.656 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.679 -2.447 3.359 1.00 0.00 C ATOM 780 CG2 VAL A 763 12.874 -1.206 4.291 1.00 0.00 C ATOM 0 H VAL A 763 14.464 -4.482 3.946 1.00 0.00 H new ATOM 0 HA VAL A 763 13.862 -3.231 6.494 1.00 0.00 H new ATOM 0 HB VAL A 763 14.717 -1.574 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 763 14.977 -1.538 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.560 -3.059 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 763 13.977 -3.007 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.239 -0.340 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.172 -1.763 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.370 -0.872 5.198 1.00 0.00 H new ATOM 790 N ILE A 764 11.722 -4.079 4.223 1.00 0.00 N ATOM 791 CA ILE A 764 10.347 -4.232 3.903 1.00 0.00 C ATOM 792 C ILE A 764 9.769 -5.560 4.348 1.00 0.00 C ATOM 793 O ILE A 764 9.811 -6.546 3.613 1.00 0.00 O ATOM 794 CB ILE A 764 10.135 -4.077 2.425 1.00 0.00 C ATOM 795 CG1 ILE A 764 10.860 -2.832 1.927 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.664 -3.965 2.178 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.064 -1.557 2.071 1.00 0.00 C ATOM 0 H ILE A 764 12.365 -4.469 3.534 1.00 0.00 H new ATOM 0 HA ILE A 764 9.823 -3.449 4.451 1.00 0.00 H new ATOM 0 HB ILE A 764 10.535 -4.937 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 764 11.797 -2.727 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.118 -2.970 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.482 -3.851 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.165 -4.865 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.271 -3.097 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.649 -0.718 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.139 -1.639 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 764 9.828 -1.392 3.122 1.00 0.00 H new ATOM 809 N ARG A 765 9.250 -5.586 5.560 1.00 0.00 N ATOM 810 CA ARG A 765 8.618 -6.785 6.080 1.00 0.00 C ATOM 811 C ARG A 765 7.400 -7.145 5.228 1.00 0.00 C ATOM 812 O ARG A 765 6.971 -8.298 5.199 1.00 0.00 O ATOM 813 CB ARG A 765 8.192 -6.569 7.529 1.00 0.00 C ATOM 814 CG ARG A 765 8.870 -7.490 8.520 1.00 0.00 C ATOM 815 CD ARG A 765 8.557 -8.943 8.230 1.00 0.00 C ATOM 816 NE ARG A 765 9.474 -9.520 7.250 1.00 0.00 N ATOM 817 CZ ARG A 765 9.373 -10.762 6.787 1.00 0.00 C ATOM 818 NH1 ARG A 765 8.394 -11.554 7.205 1.00 0.00 N ATOM 819 NH2 ARG A 765 10.253 -11.215 5.902 1.00 0.00 N ATOM 0 H ARG A 765 9.253 -4.794 6.202 1.00 0.00 H new ATOM 0 HA ARG A 765 9.335 -7.605 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 765 8.402 -5.536 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.113 -6.706 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 765 9.948 -7.335 8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 765 8.546 -7.241 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 765 8.610 -9.516 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 765 7.535 -9.026 7.861 1.00 0.00 H new ATOM 0 HE ARG A 765 10.235 -8.937 6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 765 7.715 -11.211 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 765 8.320 -12.506 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 765 11.007 -10.610 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 765 10.175 -12.168 5.547 1.00 0.00 H new ATOM 833 N PHE A 766 6.850 -6.143 4.534 1.00 0.00 N ATOM 834 CA PHE A 766 5.667 -6.350 3.688 1.00 0.00 C ATOM 835 C PHE A 766 5.799 -5.694 2.315 1.00 0.00 C ATOM 836 O PHE A 766 5.110 -4.713 2.032 1.00 0.00 O ATOM 837 CB PHE A 766 4.433 -5.753 4.354 1.00 0.00 C ATOM 838 CG PHE A 766 3.852 -6.540 5.476 1.00 0.00 C ATOM 839 CD1 PHE A 766 4.603 -6.788 6.592 1.00 0.00 C ATOM 840 CD2 PHE A 766 2.544 -6.987 5.426 1.00 0.00 C ATOM 841 CE1 PHE A 766 4.074 -7.475 7.662 1.00 0.00 C ATOM 842 CE2 PHE A 766 2.003 -7.682 6.485 1.00 0.00 C ATOM 843 CZ PHE A 766 2.769 -7.923 7.605 1.00 0.00 C ATOM 0 H PHE A 766 7.202 -5.186 4.540 1.00 0.00 H new ATOM 0 HA PHE A 766 5.575 -7.429 3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 766 4.690 -4.761 4.727 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.663 -5.619 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.625 -6.440 6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 766 1.943 -6.790 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 766 4.675 -7.662 8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 766 0.984 -8.036 6.438 1.00 0.00 H new ATOM 0 HZ PHE A 766 2.348 -8.463 8.440 1.00 0.00 H new ATOM 853 N PRO A 767 6.673 -6.199 1.444 1.00 0.00 N ATOM 854 CA PRO A 767 6.839 -5.639 0.111 1.00 0.00 C ATOM 855 C PRO A 767 5.654 -5.923 -0.802 1.00 0.00 C ATOM 856 O PRO A 767 5.692 -6.828 -1.635 1.00 0.00 O ATOM 857 CB PRO A 767 8.126 -6.277 -0.404 1.00 0.00 C ATOM 858 CG PRO A 767 8.735 -6.944 0.758 1.00 0.00 C ATOM 859 CD PRO A 767 7.619 -7.279 1.699 1.00 0.00 C ATOM 0 HA PRO A 767 6.893 -4.551 0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.917 -6.992 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.797 -5.525 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.266 -7.845 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.464 -6.292 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.188 -8.258 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 767 7.951 -7.294 2.737 1.00 0.00 H new ATOM 867 N MET A 768 4.598 -5.130 -0.627 1.00 0.00 N ATOM 868 CA MET A 768 3.397 -5.257 -1.430 1.00 0.00 C ATOM 869 C MET A 768 3.453 -4.280 -2.577 1.00 0.00 C ATOM 870 O MET A 768 4.035 -3.203 -2.468 1.00 0.00 O ATOM 871 CB MET A 768 2.143 -5.042 -0.578 1.00 0.00 C ATOM 872 CG MET A 768 0.898 -4.626 -1.364 1.00 0.00 C ATOM 873 SD MET A 768 0.127 -5.964 -2.284 1.00 0.00 S ATOM 874 CE MET A 768 -0.005 -7.127 -0.957 1.00 0.00 C ATOM 0 H MET A 768 4.557 -4.388 0.072 1.00 0.00 H new ATOM 0 HA MET A 768 3.344 -6.268 -1.833 1.00 0.00 H new ATOM 0 HB2 MET A 768 1.924 -5.964 -0.039 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.355 -4.278 0.170 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.167 -4.208 -0.671 1.00 0.00 H new ATOM 0 HG3 MET A 768 1.169 -3.831 -2.059 1.00 0.00 H new ATOM 0 HE1 MET A 768 -0.937 -7.683 -1.052 1.00 0.00 H new ATOM 0 HE2 MET A 768 0.836 -7.819 -0.995 1.00 0.00 H new ATOM 0 HE3 MET A 768 0.005 -6.596 -0.005 1.00 0.00 H new ATOM 884 N ASP A 769 2.866 -4.681 -3.679 1.00 0.00 N ATOM 885 CA ASP A 769 2.853 -3.866 -4.867 1.00 0.00 C ATOM 886 C ASP A 769 1.473 -3.872 -5.495 1.00 0.00 C ATOM 887 O ASP A 769 0.572 -4.547 -5.012 1.00 0.00 O ATOM 888 CB ASP A 769 3.898 -4.386 -5.847 1.00 0.00 C ATOM 889 CG ASP A 769 4.132 -5.872 -5.705 1.00 0.00 C ATOM 890 OD1 ASP A 769 3.416 -6.642 -6.372 1.00 0.00 O ATOM 891 OD2 ASP A 769 5.029 -6.263 -4.930 1.00 0.00 O ATOM 0 H ASP A 769 2.387 -5.576 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 769 3.097 -2.837 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.578 -4.167 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 769 4.837 -3.856 -5.688 1.00 0.00 H new ATOM 896 N LEU A 770 1.303 -3.094 -6.549 1.00 0.00 N ATOM 897 CA LEU A 770 0.029 -3.025 -7.245 1.00 0.00 C ATOM 898 C LEU A 770 -0.247 -4.319 -7.981 1.00 0.00 C ATOM 899 O LEU A 770 -1.397 -4.659 -8.241 1.00 0.00 O ATOM 900 CB LEU A 770 0.014 -1.835 -8.188 1.00 0.00 C ATOM 901 CG LEU A 770 0.680 -0.619 -7.614 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.419 0.086 -8.693 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.334 0.298 -7.000 1.00 0.00 C ATOM 0 H LEU A 770 2.032 -2.500 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.768 -2.887 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.512 -2.110 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.018 -1.592 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 770 1.376 -0.927 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.905 0.971 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.172 -0.580 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.722 0.385 -9.476 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.169 1.174 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.048 0.613 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.862 -0.225 -6.202 1.00 0.00 H new ATOM 915 N LYS A 771 0.814 -5.027 -8.346 1.00 0.00 N ATOM 916 CA LYS A 771 0.655 -6.312 -8.997 1.00 0.00 C ATOM 917 C LYS A 771 0.163 -7.316 -7.974 1.00 0.00 C ATOM 918 O LYS A 771 -0.757 -8.087 -8.233 1.00 0.00 O ATOM 919 CB LYS A 771 1.959 -6.802 -9.602 1.00 0.00 C ATOM 920 CG LYS A 771 1.739 -7.792 -10.718 1.00 0.00 C ATOM 921 CD LYS A 771 1.458 -7.074 -12.026 1.00 0.00 C ATOM 922 CE LYS A 771 0.800 -7.997 -13.032 1.00 0.00 C ATOM 923 NZ LYS A 771 0.529 -7.310 -14.325 1.00 0.00 N ATOM 0 H LYS A 771 1.781 -4.735 -8.203 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.064 -6.202 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.523 -5.950 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.566 -7.265 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 771 2.619 -8.426 -10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.904 -8.447 -10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 771 0.812 -6.216 -11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.390 -6.688 -12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 771 1.443 -8.859 -13.207 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -0.135 -8.375 -12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.079 -7.976 -14.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -0.105 -6.502 -14.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 1.424 -6.971 -14.732 1.00 0.00 H new ATOM 937 N THR A 772 0.806 -7.305 -6.808 1.00 0.00 N ATOM 938 CA THR A 772 0.409 -8.179 -5.716 1.00 0.00 C ATOM 939 C THR A 772 -0.980 -7.762 -5.253 1.00 0.00 C ATOM 940 O THR A 772 -1.813 -8.596 -4.905 1.00 0.00 O ATOM 941 CB THR A 772 1.395 -8.128 -4.537 1.00 0.00 C ATOM 942 OG1 THR A 772 2.689 -8.574 -4.956 1.00 0.00 O ATOM 943 CG2 THR A 772 0.902 -9.003 -3.400 1.00 0.00 C ATOM 0 H THR A 772 1.601 -6.701 -6.599 1.00 0.00 H new ATOM 0 HA THR A 772 0.407 -9.207 -6.078 1.00 0.00 H new ATOM 0 HB THR A 772 1.465 -7.097 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 772 2.954 -8.092 -5.767 1.00 0.00 H new ATOM 0 HG21 THR A 772 1.610 -8.957 -2.572 1.00 0.00 H new ATOM 0 HG22 THR A 772 -0.072 -8.648 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 772 0.814 -10.033 -3.745 1.00 0.00 H new ATOM 951 N MET A 773 -1.207 -6.447 -5.236 1.00 0.00 N ATOM 952 CA MET A 773 -2.514 -5.898 -4.899 1.00 0.00 C ATOM 953 C MET A 773 -3.529 -6.517 -5.854 1.00 0.00 C ATOM 954 O MET A 773 -4.418 -7.249 -5.443 1.00 0.00 O ATOM 955 CB MET A 773 -2.503 -4.377 -5.050 1.00 0.00 C ATOM 956 CG MET A 773 -2.173 -3.638 -3.770 1.00 0.00 C ATOM 957 SD MET A 773 -3.358 -3.960 -2.473 1.00 0.00 S ATOM 958 CE MET A 773 -4.798 -3.184 -3.176 1.00 0.00 C ATOM 0 H MET A 773 -0.499 -5.745 -5.452 1.00 0.00 H new ATOM 0 HA MET A 773 -2.772 -6.128 -3.865 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.776 -4.102 -5.815 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.480 -4.050 -5.406 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.179 -3.930 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.140 -2.567 -3.970 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.081 -2.324 -2.569 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.575 -2.854 -4.190 1.00 0.00 H new ATOM 0 HE3 MET A 773 -5.621 -3.898 -3.200 1.00 0.00 H new ATOM 968 N SER A 774 -3.351 -6.243 -7.145 1.00 0.00 N ATOM 969 CA SER A 774 -4.228 -6.783 -8.185 1.00 0.00 C ATOM 970 C SER A 774 -4.293 -8.295 -8.121 1.00 0.00 C ATOM 971 O SER A 774 -5.285 -8.899 -8.511 1.00 0.00 O ATOM 972 CB SER A 774 -3.749 -6.348 -9.549 1.00 0.00 C ATOM 973 OG SER A 774 -2.582 -7.051 -9.938 1.00 0.00 O ATOM 0 H SER A 774 -2.603 -5.647 -7.498 1.00 0.00 H new ATOM 0 HA SER A 774 -5.230 -6.392 -8.012 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.537 -6.515 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.544 -5.277 -9.539 1.00 0.00 H new ATOM 0 HG SER A 774 -2.051 -7.268 -9.144 1.00 0.00 H new ATOM 979 N GLU A 775 -3.213 -8.899 -7.665 1.00 0.00 N ATOM 980 CA GLU A 775 -3.155 -10.340 -7.506 1.00 0.00 C ATOM 981 C GLU A 775 -4.254 -10.748 -6.550 1.00 0.00 C ATOM 982 O GLU A 775 -5.129 -11.563 -6.865 1.00 0.00 O ATOM 983 CB GLU A 775 -1.790 -10.719 -6.944 1.00 0.00 C ATOM 984 CG GLU A 775 -1.009 -11.670 -7.817 1.00 0.00 C ATOM 985 CD GLU A 775 0.025 -12.463 -7.042 1.00 0.00 C ATOM 986 OE1 GLU A 775 1.163 -11.970 -6.895 1.00 0.00 O ATOM 987 OE2 GLU A 775 -0.302 -13.578 -6.584 1.00 0.00 O ATOM 0 H GLU A 775 -2.359 -8.411 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.293 -10.848 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.204 -9.812 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.926 -11.172 -5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.699 -12.359 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.512 -11.106 -8.606 1.00 0.00 H new ATOM 994 N ARG A 776 -4.211 -10.114 -5.392 1.00 0.00 N ATOM 995 CA ARG A 776 -5.180 -10.328 -4.347 1.00 0.00 C ATOM 996 C ARG A 776 -6.562 -10.008 -4.882 1.00 0.00 C ATOM 997 O ARG A 776 -7.526 -10.750 -4.701 1.00 0.00 O ATOM 998 CB ARG A 776 -4.800 -9.436 -3.184 1.00 0.00 C ATOM 999 CG ARG A 776 -3.782 -10.067 -2.289 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.858 -9.036 -1.681 1.00 0.00 C ATOM 1001 NE ARG A 776 -1.884 -9.635 -0.766 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.018 -10.587 -1.110 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -0.990 -11.060 -2.351 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -0.174 -11.070 -0.208 1.00 0.00 N ATOM 0 H ARG A 776 -3.493 -9.430 -5.154 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.193 -11.364 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.409 -8.493 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.692 -9.200 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.287 -10.617 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.197 -10.791 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.330 -8.510 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.448 -8.293 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 776 -1.868 -9.301 0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -1.636 -10.694 -3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 776 -0.323 -11.789 -2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -0.189 -10.712 0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 776 0.490 -11.799 -0.470 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.605 -8.914 -5.600 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.816 -8.412 -6.218 1.00 0.00 C ATOM 1020 C LEU A 777 -8.446 -9.463 -7.078 1.00 0.00 C ATOM 1021 O LEU A 777 -9.631 -9.756 -6.960 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.439 -7.192 -7.044 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.564 -6.306 -7.559 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.849 -7.039 -7.796 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.790 -5.186 -6.579 1.00 0.00 C ATOM 0 H LEU A 777 -5.786 -8.333 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.547 -8.141 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.774 -6.573 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.863 -7.535 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.250 -5.923 -8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.603 -6.342 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.690 -7.823 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.191 -7.486 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.595 -4.545 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.063 -5.601 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.876 -4.600 -6.479 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.643 -10.033 -7.927 1.00 0.00 N ATOM 1038 CA LYS A 778 -8.120 -11.033 -8.826 1.00 0.00 C ATOM 1039 C LYS A 778 -8.859 -12.122 -8.081 1.00 0.00 C ATOM 1040 O LYS A 778 -9.977 -12.488 -8.435 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.969 -11.656 -9.562 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.998 -11.348 -11.025 1.00 0.00 C ATOM 1043 CD LYS A 778 -6.609 -9.906 -11.294 1.00 0.00 C ATOM 1044 CE LYS A 778 -5.452 -9.806 -12.269 1.00 0.00 C ATOM 1045 NZ LYS A 778 -5.066 -8.392 -12.534 1.00 0.00 N ATOM 0 H LYS A 778 -6.650 -9.819 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.800 -10.551 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -6.032 -11.298 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.992 -12.736 -9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.316 -12.015 -11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.997 -11.537 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -7.468 -9.366 -11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.336 -9.422 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -4.594 -10.347 -11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -5.726 -10.289 -13.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -4.590 -8.329 -13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -5.918 -7.795 -12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.420 -8.063 -11.788 1.00 0.00 H new ATOM 1059 N ASN A 779 -8.207 -12.642 -7.047 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.782 -13.702 -6.243 1.00 0.00 C ATOM 1061 C ASN A 779 -9.968 -13.196 -5.436 1.00 0.00 C ATOM 1062 O ASN A 779 -10.581 -13.952 -4.681 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.744 -14.224 -5.265 1.00 0.00 C ATOM 1064 CG ASN A 779 -6.318 -14.044 -5.722 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -5.856 -14.708 -6.650 1.00 0.00 O ATOM 1066 ND2 ASN A 779 -5.604 -13.145 -5.047 1.00 0.00 N ATOM 0 H ASN A 779 -7.278 -12.343 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 779 -9.111 -14.490 -6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.874 -13.716 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -7.927 -15.284 -5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -4.627 -12.981 -5.292 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -6.034 -12.620 -4.285 1.00 0.00 H new ATOM 1073 N ARG A 780 -10.261 -11.911 -5.587 1.00 0.00 N ATOM 1074 CA ARG A 780 -11.343 -11.259 -4.859 1.00 0.00 C ATOM 1075 C ARG A 780 -10.930 -11.114 -3.408 1.00 0.00 C ATOM 1076 O ARG A 780 -11.725 -10.727 -2.550 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.648 -12.047 -4.940 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.351 -11.943 -6.269 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.649 -12.761 -7.326 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.471 -13.871 -7.801 1.00 0.00 N ATOM 1081 CZ ARG A 780 -13.372 -14.397 -9.017 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -12.493 -13.914 -9.884 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -14.154 -15.408 -9.367 1.00 0.00 N ATOM 0 H ARG A 780 -9.755 -11.290 -6.218 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.522 -10.285 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.439 -13.097 -4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -13.321 -11.696 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.381 -12.285 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.391 -10.899 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.388 -12.118 -8.167 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.715 -13.150 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 780 -14.161 -14.265 -7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -11.890 -13.136 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -12.420 -14.321 -10.817 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.832 -15.782 -8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -14.078 -15.812 -10.301 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.668 -11.449 -3.162 1.00 0.00 N ATOM 1098 CA TYR A 781 -9.074 -11.392 -1.839 1.00 0.00 C ATOM 1099 C TYR A 781 -9.578 -10.196 -1.047 1.00 0.00 C ATOM 1100 O TYR A 781 -9.891 -10.329 0.133 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.549 -11.340 -1.973 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.796 -11.000 -0.718 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.612 -9.683 -0.371 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -6.247 -11.982 0.095 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.902 -9.327 0.744 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.534 -11.643 1.228 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.360 -10.311 1.548 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.641 -9.965 2.669 1.00 0.00 O ATOM 0 H TYR A 781 -9.025 -11.771 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.366 -12.288 -1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -7.201 -12.308 -2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.295 -10.606 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -7.038 -8.910 -0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -6.379 -13.023 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.767 -8.285 0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -5.116 -12.413 1.859 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.331 -10.777 3.122 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.663 -9.031 -1.694 1.00 0.00 N ATOM 1119 CA TYR A 782 -10.120 -7.832 -1.013 1.00 0.00 C ATOM 1120 C TYR A 782 -11.565 -7.928 -0.621 1.00 0.00 C ATOM 1121 O TYR A 782 -12.456 -7.389 -1.279 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.861 -6.595 -1.859 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.442 -6.508 -2.230 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.535 -6.099 -1.311 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -8.000 -6.879 -3.468 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.212 -6.059 -1.596 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.666 -6.822 -3.773 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.779 -6.414 -2.825 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.449 -6.392 -3.095 1.00 0.00 O ATOM 0 H TYR A 782 -9.423 -8.899 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.544 -7.740 -0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.476 -6.628 -2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.153 -5.702 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.874 -5.799 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.706 -7.219 -4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.505 -5.744 -0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.321 -7.099 -4.758 1.00 0.00 H new ATOM 0 HH TYR A 782 -3.995 -5.804 -2.456 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.780 -8.631 0.470 1.00 0.00 N ATOM 1140 CA VAL A 783 -13.091 -8.789 1.018 1.00 0.00 C ATOM 1141 C VAL A 783 -13.337 -7.654 1.962 1.00 0.00 C ATOM 1142 O VAL A 783 -14.263 -7.660 2.774 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.232 -10.123 1.743 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -13.247 -11.226 0.721 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -12.106 -10.295 2.728 1.00 0.00 C ATOM 0 H VAL A 783 -11.045 -9.105 0.995 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.826 -8.782 0.213 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.165 -10.154 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -13.347 -12.187 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -14.088 -11.082 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -12.316 -11.209 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.214 -11.250 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.153 -10.273 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.134 -9.486 3.458 1.00 0.00 H new ATOM 1155 N SER A 784 -12.470 -6.672 1.825 1.00 0.00 N ATOM 1156 CA SER A 784 -12.500 -5.499 2.645 1.00 0.00 C ATOM 1157 C SER A 784 -11.581 -4.440 2.057 1.00 0.00 C ATOM 1158 O SER A 784 -10.409 -4.718 1.806 1.00 0.00 O ATOM 1159 CB SER A 784 -12.035 -5.884 4.033 1.00 0.00 C ATOM 1160 OG SER A 784 -13.122 -6.264 4.858 1.00 0.00 O ATOM 0 H SER A 784 -11.721 -6.675 1.132 1.00 0.00 H new ATOM 0 HA SER A 784 -13.510 -5.091 2.691 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.324 -6.707 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.508 -5.045 4.487 1.00 0.00 H new ATOM 0 HG SER A 784 -13.778 -6.761 4.326 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.101 -3.232 1.808 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.255 -2.173 1.266 1.00 0.00 C ATOM 1168 C LYS A 785 -10.040 -2.019 2.138 1.00 0.00 C ATOM 1169 O LYS A 785 -9.093 -1.384 1.748 1.00 0.00 O ATOM 1170 CB LYS A 785 -11.959 -0.818 1.188 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.573 -0.360 2.504 1.00 0.00 C ATOM 1172 CD LYS A 785 -14.053 -0.053 2.362 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.879 -1.322 2.389 1.00 0.00 C ATOM 1174 NZ LYS A 785 -14.880 -1.958 3.736 1.00 0.00 N ATOM 0 H LYS A 785 -13.074 -2.972 1.969 1.00 0.00 H new ATOM 0 HA LYS A 785 -10.993 -2.470 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -11.243 -0.067 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -12.743 -0.871 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.434 -1.134 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -12.050 0.528 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -14.369 0.608 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.229 0.479 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -15.904 -1.094 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.486 -2.026 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -15.703 -2.589 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -14.007 -2.509 3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -14.931 -1.221 4.468 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.082 -2.586 3.336 1.00 0.00 N ATOM 1189 CA LYS A 786 -8.955 -2.491 4.242 1.00 0.00 C ATOM 1190 C LYS A 786 -7.799 -3.338 3.748 1.00 0.00 C ATOM 1191 O LYS A 786 -6.648 -2.940 3.847 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.358 -2.896 5.661 1.00 0.00 C ATOM 1193 CG LYS A 786 -9.691 -1.717 6.562 1.00 0.00 C ATOM 1194 CD LYS A 786 -9.982 -2.164 7.986 1.00 0.00 C ATOM 1195 CE LYS A 786 -11.264 -2.977 8.070 1.00 0.00 C ATOM 1196 NZ LYS A 786 -11.544 -3.433 9.460 1.00 0.00 N ATOM 0 H LYS A 786 -10.878 -3.111 3.697 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.629 -1.451 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -10.223 -3.558 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.546 -3.468 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -8.858 -1.014 6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -10.555 -1.186 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -9.148 -2.760 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -10.062 -1.290 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -12.099 -2.376 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -11.188 -3.843 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -12.426 -3.984 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -10.759 -4.028 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -11.642 -2.606 10.083 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.105 -4.517 3.243 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.088 -5.382 2.678 1.00 0.00 C ATOM 1212 C LEU A 787 -6.393 -4.630 1.597 1.00 0.00 C ATOM 1213 O LEU A 787 -5.171 -4.568 1.488 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.760 -6.579 2.038 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.106 -7.670 2.992 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.876 -8.752 2.274 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.835 -8.166 3.644 1.00 0.00 C ATOM 0 H LEU A 787 -9.051 -4.898 3.212 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.393 -5.701 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.670 -6.246 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.103 -6.981 1.267 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.759 -7.308 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.126 -9.547 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.792 -8.332 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.266 -9.159 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.074 -8.965 4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.157 -8.545 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.356 -7.346 4.178 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.255 -4.068 0.812 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.920 -3.287 -0.321 1.00 0.00 C ATOM 1231 C PHE A 788 -6.129 -2.068 0.035 1.00 0.00 C ATOM 1232 O PHE A 788 -5.038 -1.837 -0.477 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.203 -2.921 -0.962 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.931 -2.543 -2.329 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.621 -1.275 -2.533 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.933 -3.423 -3.377 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.315 -0.809 -3.749 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.622 -2.970 -4.633 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.315 -1.654 -4.815 1.00 0.00 C ATOM 0 H PHE A 788 -8.261 -4.149 0.957 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.280 -3.856 -0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.897 -3.761 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.675 -2.097 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.614 -0.595 -1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.177 -4.463 -3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.069 0.234 -3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.620 -3.650 -5.472 1.00 0.00 H new ATOM 0 HZ PHE A 788 -7.073 -1.284 -5.801 1.00 0.00 H new ATOM 1249 N MET A 789 -6.694 -1.297 0.907 1.00 0.00 N ATOM 1250 CA MET A 789 -6.074 -0.097 1.353 1.00 0.00 C ATOM 1251 C MET A 789 -4.750 -0.433 1.973 1.00 0.00 C ATOM 1252 O MET A 789 -3.728 -0.016 1.491 1.00 0.00 O ATOM 1253 CB MET A 789 -6.966 0.587 2.349 1.00 0.00 C ATOM 1254 CG MET A 789 -8.189 1.227 1.720 1.00 0.00 C ATOM 1255 SD MET A 789 -8.829 2.542 2.726 1.00 0.00 S ATOM 1256 CE MET A 789 -7.993 3.851 1.884 1.00 0.00 C ATOM 0 H MET A 789 -7.603 -1.485 1.330 1.00 0.00 H new ATOM 0 HA MET A 789 -5.912 0.578 0.512 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.288 -0.138 3.096 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.394 1.352 2.874 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.931 1.615 0.734 1.00 0.00 H new ATOM 0 HG3 MET A 789 -8.961 0.472 1.573 1.00 0.00 H new ATOM 0 HE1 MET A 789 -7.453 4.462 2.607 1.00 0.00 H new ATOM 0 HE2 MET A 789 -7.288 3.431 1.167 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.721 4.469 1.358 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.793 -1.246 3.010 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.596 -1.664 3.727 1.00 0.00 C ATOM 1268 C ALA A 790 -2.483 -2.126 2.804 1.00 0.00 C ATOM 1269 O ALA A 790 -1.351 -1.687 2.941 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.932 -2.802 4.661 1.00 0.00 C ATOM 0 H ALA A 790 -5.658 -1.638 3.383 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.243 -0.789 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -3.034 -3.112 5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.686 -2.474 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.320 -3.643 4.086 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.806 -3.036 1.890 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.814 -3.578 0.969 1.00 0.00 C ATOM 1278 C ASP A 791 -1.351 -2.518 -0.028 1.00 0.00 C ATOM 1279 O ASP A 791 -0.159 -2.306 -0.208 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.360 -4.812 0.259 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.485 -6.003 1.188 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.496 -6.322 1.882 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.569 -6.621 1.219 1.00 0.00 O ATOM 0 H ASP A 791 -3.746 -3.413 1.768 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.941 -3.882 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.337 -4.581 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.704 -5.070 -0.572 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.273 -1.861 -0.703 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.872 -0.799 -1.610 1.00 0.00 C ATOM 1290 C LEU A 792 -1.082 0.212 -0.813 1.00 0.00 C ATOM 1291 O LEU A 792 -0.118 0.807 -1.287 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.087 -0.104 -2.221 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.180 -0.129 -3.720 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.284 0.798 -4.168 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.854 0.252 -4.323 1.00 0.00 C ATOM 0 H LEU A 792 -3.277 -2.034 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.280 -1.224 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -3.987 -0.566 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -3.087 0.936 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.421 -1.135 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.354 0.782 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.231 0.470 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.066 1.812 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.929 0.232 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.581 1.256 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.090 -0.455 -3.999 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.508 0.358 0.429 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.888 1.265 1.363 1.00 0.00 C ATOM 1309 C GLN A 793 0.387 0.633 1.841 1.00 0.00 C ATOM 1310 O GLN A 793 1.281 1.287 2.364 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.843 1.586 2.513 1.00 0.00 C ATOM 1312 CG GLN A 793 -2.942 2.538 2.084 1.00 0.00 C ATOM 1313 CD GLN A 793 -4.066 2.687 3.094 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -3.885 2.455 4.289 1.00 0.00 O ATOM 1315 NE2 GLN A 793 -5.236 3.102 2.604 1.00 0.00 N ATOM 0 H GLN A 793 -2.300 -0.156 0.815 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.656 2.216 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.287 0.663 2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.283 2.026 3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.505 3.519 1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.361 2.190 1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -5.336 3.281 1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -6.030 3.240 3.229 1.00 0.00 H new ATOM 1324 N ARG A 794 0.429 -0.670 1.650 1.00 0.00 N ATOM 1325 CA ARG A 794 1.577 -1.471 1.985 1.00 0.00 C ATOM 1326 C ARG A 794 2.652 -1.236 0.931 1.00 0.00 C ATOM 1327 O ARG A 794 3.835 -1.425 1.191 1.00 0.00 O ATOM 1328 CB ARG A 794 1.188 -2.943 2.046 1.00 0.00 C ATOM 1329 CG ARG A 794 2.254 -3.786 2.684 1.00 0.00 C ATOM 1330 CD ARG A 794 2.395 -3.479 4.155 1.00 0.00 C ATOM 1331 NE ARG A 794 3.532 -2.607 4.433 1.00 0.00 N ATOM 1332 CZ ARG A 794 4.050 -2.434 5.646 1.00 0.00 C ATOM 1333 NH1 ARG A 794 3.523 -3.058 6.692 1.00 0.00 N ATOM 1334 NH2 ARG A 794 5.094 -1.634 5.815 1.00 0.00 N ATOM 0 H ARG A 794 -0.344 -1.204 1.253 1.00 0.00 H new ATOM 0 HA ARG A 794 1.962 -1.188 2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.260 -3.049 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 794 0.994 -3.308 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 794 2.012 -4.841 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.206 -3.612 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 794 1.481 -3.006 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 794 2.511 -4.411 4.709 1.00 0.00 H new ATOM 0 HE ARG A 794 3.953 -2.102 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 794 2.718 -3.672 6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 794 3.923 -2.923 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 794 5.501 -1.150 5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 794 5.490 -1.502 6.746 1.00 0.00 H new ATOM 1348 N VAL A 795 2.224 -0.818 -0.271 1.00 0.00 N ATOM 1349 CA VAL A 795 3.166 -0.525 -1.349 1.00 0.00 C ATOM 1350 C VAL A 795 3.688 0.896 -1.187 1.00 0.00 C ATOM 1351 O VAL A 795 4.880 1.157 -1.347 1.00 0.00 O ATOM 1352 CB VAL A 795 2.562 -0.712 -2.765 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.352 -1.610 -2.712 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.216 0.609 -3.426 1.00 0.00 C ATOM 0 H VAL A 795 1.243 -0.678 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 795 3.980 -1.246 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 795 3.329 -1.185 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.943 -1.729 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.640 -2.585 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.598 -1.166 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.797 0.422 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.485 1.140 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.117 1.215 -3.522 1.00 0.00 H new ATOM 1364 N PHE A 796 2.778 1.817 -0.872 1.00 0.00 N ATOM 1365 CA PHE A 796 3.159 3.209 -0.651 1.00 0.00 C ATOM 1366 C PHE A 796 4.042 3.280 0.583 1.00 0.00 C ATOM 1367 O PHE A 796 5.156 3.792 0.534 1.00 0.00 O ATOM 1368 CB PHE A 796 1.946 4.118 -0.436 1.00 0.00 C ATOM 1369 CG PHE A 796 0.728 3.756 -1.231 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.810 3.417 -2.565 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.505 3.744 -0.634 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.308 3.069 -3.277 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.624 3.395 -1.345 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.518 3.057 -2.671 1.00 0.00 C ATOM 0 H PHE A 796 1.782 1.626 -0.765 1.00 0.00 H new ATOM 0 HA PHE A 796 3.683 3.557 -1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.686 4.106 0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.230 5.141 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.771 3.426 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.596 4.012 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.224 2.805 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.590 3.386 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.400 2.782 -3.231 1.00 0.00 H new ATOM 1384 N THR A 797 3.532 2.733 1.690 1.00 0.00 N ATOM 1385 CA THR A 797 4.258 2.733 2.954 1.00 0.00 C ATOM 1386 C THR A 797 5.611 2.051 2.813 1.00 0.00 C ATOM 1387 O THR A 797 6.609 2.584 3.277 1.00 0.00 O ATOM 1388 CB THR A 797 3.450 2.071 4.096 1.00 0.00 C ATOM 1389 OG1 THR A 797 3.918 2.550 5.361 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.559 0.551 4.066 1.00 0.00 C ATOM 0 H THR A 797 2.617 2.285 1.732 1.00 0.00 H new ATOM 0 HA THR A 797 4.414 3.779 3.219 1.00 0.00 H new ATOM 0 HB THR A 797 2.403 2.338 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 797 4.850 2.277 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 797 2.977 0.128 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.175 0.177 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.603 0.259 4.175 1.00 0.00 H new ATOM 1398 N ASN A 798 5.652 0.865 2.198 1.00 0.00 N ATOM 1399 CA ASN A 798 6.925 0.183 2.008 1.00 0.00 C ATOM 1400 C ASN A 798 7.832 1.033 1.136 1.00 0.00 C ATOM 1401 O ASN A 798 9.054 0.994 1.272 1.00 0.00 O ATOM 1402 CB ASN A 798 6.745 -1.204 1.390 1.00 0.00 C ATOM 1403 CG ASN A 798 6.897 -1.209 -0.121 1.00 0.00 C ATOM 1404 OD1 ASN A 798 5.922 -1.105 -0.853 1.00 0.00 O ATOM 1405 ND2 ASN A 798 8.130 -1.332 -0.598 1.00 0.00 N ATOM 0 H ASN A 798 4.837 0.371 1.833 1.00 0.00 H new ATOM 0 HA ASN A 798 7.381 0.043 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.476 -1.886 1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.758 -1.586 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 798 8.288 -1.342 -1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 798 8.919 -1.416 0.043 1.00 0.00 H new ATOM 1412 N CYS A 799 7.233 1.820 0.244 1.00 0.00 N ATOM 1413 CA CYS A 799 8.016 2.676 -0.618 1.00 0.00 C ATOM 1414 C CYS A 799 8.546 3.853 0.173 1.00 0.00 C ATOM 1415 O CYS A 799 9.633 4.373 -0.062 1.00 0.00 O ATOM 1416 CB CYS A 799 7.215 3.156 -1.801 1.00 0.00 C ATOM 1417 SG CYS A 799 8.088 4.400 -2.771 1.00 0.00 S ATOM 0 H CYS A 799 6.224 1.877 0.107 1.00 0.00 H new ATOM 0 HA CYS A 799 8.852 2.093 -1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 799 6.973 2.307 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 799 6.270 3.571 -1.451 1.00 0.00 H new ATOM 0 HG CYS A 799 7.677 4.356 -4.004 1.00 0.00 H new ATOM 1423 N LYS A 800 7.728 4.244 1.114 1.00 0.00 N ATOM 1424 CA LYS A 800 7.979 5.338 2.022 1.00 0.00 C ATOM 1425 C LYS A 800 8.849 4.881 3.191 1.00 0.00 C ATOM 1426 O LYS A 800 9.461 5.676 3.901 1.00 0.00 O ATOM 1427 CB LYS A 800 6.631 5.784 2.471 1.00 0.00 C ATOM 1428 CG LYS A 800 5.921 6.525 1.365 1.00 0.00 C ATOM 1429 CD LYS A 800 4.974 7.547 1.905 1.00 0.00 C ATOM 1430 CE LYS A 800 3.684 6.905 2.338 1.00 0.00 C ATOM 1431 NZ LYS A 800 3.832 6.116 3.592 1.00 0.00 N ATOM 0 H LYS A 800 6.829 3.791 1.278 1.00 0.00 H new ATOM 0 HA LYS A 800 8.527 6.153 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.039 4.921 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.728 6.429 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.655 7.012 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 800 5.375 5.815 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 800 5.431 8.062 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.773 8.301 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 800 2.929 7.677 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 800 3.322 6.253 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 3.379 5.187 3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 4.842 5.984 3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 3.379 6.625 4.378 1.00 0.00 H new ATOM 1445 N GLU A 801 8.865 3.570 3.373 1.00 0.00 N ATOM 1446 CA GLU A 801 9.610 2.908 4.444 1.00 0.00 C ATOM 1447 C GLU A 801 11.092 2.810 4.149 1.00 0.00 C ATOM 1448 O GLU A 801 11.940 3.364 4.847 1.00 0.00 O ATOM 1449 CB GLU A 801 9.115 1.466 4.544 1.00 0.00 C ATOM 1450 CG GLU A 801 8.516 1.082 5.886 1.00 0.00 C ATOM 1451 CD GLU A 801 7.611 2.157 6.456 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.403 2.144 6.142 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.111 3.012 7.218 1.00 0.00 O ATOM 0 H GLU A 801 8.354 2.922 2.774 1.00 0.00 H new ATOM 0 HA GLU A 801 9.457 3.493 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.367 1.301 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 801 9.948 0.797 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 801 7.949 0.158 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.321 0.879 6.593 1.00 0.00 H new ATOM 1460 N TYR A 802 11.357 2.095 3.083 1.00 0.00 N ATOM 1461 CA TYR A 802 12.692 1.795 2.624 1.00 0.00 C ATOM 1462 C TYR A 802 13.316 2.940 1.869 1.00 0.00 C ATOM 1463 O TYR A 802 14.357 3.467 2.257 1.00 0.00 O ATOM 1464 CB TYR A 802 12.554 0.579 1.722 1.00 0.00 C ATOM 1465 CG TYR A 802 13.761 0.152 0.946 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.034 0.670 1.155 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.590 -0.790 -0.033 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.099 0.240 0.392 1.00 0.00 C ATOM 1469 CE2 TYR A 802 14.633 -1.218 -0.795 1.00 0.00 C ATOM 1470 CZ TYR A 802 15.892 -0.704 -0.584 1.00 0.00 C ATOM 1471 OH TYR A 802 16.944 -1.132 -1.350 1.00 0.00 O ATOM 0 H TYR A 802 10.628 1.694 2.493 1.00 0.00 H new ATOM 0 HA TYR A 802 13.350 1.611 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.236 -0.262 2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 802 11.751 0.776 1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.190 1.415 1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 802 12.606 -1.202 -0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.087 0.642 0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 802 14.473 -1.960 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 802 17.571 -1.637 -0.791 1.00 0.00 H new ATOM 1481 N ASN A 803 12.668 3.325 0.805 1.00 0.00 N ATOM 1482 CA ASN A 803 13.181 4.390 -0.033 1.00 0.00 C ATOM 1483 C ASN A 803 13.135 5.719 0.686 1.00 0.00 C ATOM 1484 O ASN A 803 12.353 5.894 1.614 1.00 0.00 O ATOM 1485 CB ASN A 803 12.394 4.475 -1.340 1.00 0.00 C ATOM 1486 CG ASN A 803 12.878 3.459 -2.354 1.00 0.00 C ATOM 1487 OD1 ASN A 803 13.693 3.772 -3.221 1.00 0.00 O ATOM 1488 ND2 ASN A 803 12.392 2.230 -2.238 1.00 0.00 N ATOM 0 H ASN A 803 11.785 2.923 0.492 1.00 0.00 H new ATOM 0 HA ASN A 803 14.221 4.159 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.335 4.312 -1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 803 12.488 5.478 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 803 12.693 1.500 -2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 803 11.718 2.015 -1.503 1.00 0.00 H new ATOM 1495 N PRO A 804 14.063 6.622 0.336 1.00 0.00 N ATOM 1496 CA PRO A 804 14.098 7.983 0.875 1.00 0.00 C ATOM 1497 C PRO A 804 13.163 8.901 0.087 1.00 0.00 C ATOM 1498 O PRO A 804 12.945 8.680 -1.102 1.00 0.00 O ATOM 1499 CB PRO A 804 15.543 8.396 0.659 1.00 0.00 C ATOM 1500 CG PRO A 804 15.942 7.671 -0.581 1.00 0.00 C ATOM 1501 CD PRO A 804 15.217 6.353 -0.547 1.00 0.00 C ATOM 0 HA PRO A 804 13.777 8.041 1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.636 9.475 0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.170 8.115 1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.672 8.241 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 804 17.021 7.521 -0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.898 6.044 -1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.848 5.557 -0.153 1.00 0.00 H new ATOM 1509 N PRO A 805 12.612 9.950 0.730 1.00 0.00 N ATOM 1510 CA PRO A 805 11.670 10.880 0.084 1.00 0.00 C ATOM 1511 C PRO A 805 12.296 11.664 -1.067 1.00 0.00 C ATOM 1512 O PRO A 805 11.733 12.658 -1.530 1.00 0.00 O ATOM 1513 CB PRO A 805 11.251 11.827 1.213 1.00 0.00 C ATOM 1514 CG PRO A 805 11.680 11.158 2.478 1.00 0.00 C ATOM 1515 CD PRO A 805 12.875 10.322 2.122 1.00 0.00 C ATOM 0 HA PRO A 805 10.837 10.343 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.727 12.802 1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.174 11.995 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 805 11.933 11.894 3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 805 10.879 10.540 2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 805 13.804 10.883 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 805 12.961 9.446 2.765 1.00 0.00 H new ATOM 1523 N GLU A 806 13.460 11.213 -1.525 1.00 0.00 N ATOM 1524 CA GLU A 806 14.161 11.866 -2.624 1.00 0.00 C ATOM 1525 C GLU A 806 14.484 10.871 -3.735 1.00 0.00 C ATOM 1526 O GLU A 806 14.775 11.263 -4.865 1.00 0.00 O ATOM 1527 CB GLU A 806 15.455 12.495 -2.112 1.00 0.00 C ATOM 1528 CG GLU A 806 15.255 13.419 -0.922 1.00 0.00 C ATOM 1529 CD GLU A 806 16.553 14.030 -0.433 1.00 0.00 C ATOM 1530 OE1 GLU A 806 17.307 13.332 0.278 1.00 0.00 O ATOM 1531 OE2 GLU A 806 16.816 15.207 -0.760 1.00 0.00 O ATOM 0 H GLU A 806 13.939 10.394 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 806 13.510 12.640 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 806 16.149 11.702 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 806 15.922 13.056 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 806 14.564 14.216 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 806 14.791 12.862 -0.108 1.00 0.00 H new ATOM 1538 N SER A 807 14.431 9.581 -3.408 1.00 0.00 N ATOM 1539 CA SER A 807 14.733 8.529 -4.380 1.00 0.00 C ATOM 1540 C SER A 807 13.600 8.304 -5.367 1.00 0.00 C ATOM 1541 O SER A 807 13.387 7.177 -5.817 1.00 0.00 O ATOM 1542 CB SER A 807 15.046 7.213 -3.685 1.00 0.00 C ATOM 1543 OG SER A 807 16.430 7.102 -3.400 1.00 0.00 O ATOM 0 H SER A 807 14.182 9.239 -2.480 1.00 0.00 H new ATOM 0 HA SER A 807 15.607 8.874 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 807 14.474 7.142 -2.760 1.00 0.00 H new ATOM 0 HB3 SER A 807 14.734 6.381 -4.317 1.00 0.00 H new ATOM 0 HG SER A 807 16.604 6.248 -2.952 1.00 0.00 H new ATOM 1549 N GLU A 808 12.863 9.359 -5.680 1.00 0.00 N ATOM 1550 CA GLU A 808 11.787 9.273 -6.658 1.00 0.00 C ATOM 1551 C GLU A 808 10.584 8.450 -6.184 1.00 0.00 C ATOM 1552 O GLU A 808 9.538 9.015 -5.862 1.00 0.00 O ATOM 1553 CB GLU A 808 12.342 8.690 -7.957 1.00 0.00 C ATOM 1554 CG GLU A 808 11.282 8.256 -8.940 1.00 0.00 C ATOM 1555 CD GLU A 808 11.729 8.448 -10.377 1.00 0.00 C ATOM 1556 OE1 GLU A 808 12.670 7.748 -10.806 1.00 0.00 O ATOM 1557 OE2 GLU A 808 11.141 9.303 -11.072 1.00 0.00 O ATOM 0 H GLU A 808 12.990 10.285 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 808 11.414 10.285 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 808 12.981 9.434 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 808 12.973 7.834 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 808 11.040 7.207 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 808 10.369 8.826 -8.765 1.00 0.00 H new ATOM 1564 N TYR A 809 10.727 7.121 -6.148 1.00 0.00 N ATOM 1565 CA TYR A 809 9.613 6.247 -5.759 1.00 0.00 C ATOM 1566 C TYR A 809 8.919 6.718 -4.496 1.00 0.00 C ATOM 1567 O TYR A 809 7.694 6.785 -4.450 1.00 0.00 O ATOM 1568 CB TYR A 809 10.044 4.820 -5.539 1.00 0.00 C ATOM 1569 CG TYR A 809 11.235 4.394 -6.325 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.477 4.802 -7.622 1.00 0.00 C ATOM 1571 CD2 TYR A 809 12.121 3.571 -5.728 1.00 0.00 C ATOM 1572 CE1 TYR A 809 12.602 4.372 -8.293 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.236 3.128 -6.354 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.484 3.531 -7.657 1.00 0.00 C ATOM 1575 OH TYR A 809 14.595 3.093 -8.328 1.00 0.00 O ATOM 0 H TYR A 809 11.591 6.631 -6.380 1.00 0.00 H new ATOM 0 HA TYR A 809 8.922 6.295 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 809 10.258 4.680 -4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.210 4.162 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 809 10.779 5.463 -8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.934 3.254 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 809 12.788 4.692 -9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.924 2.469 -5.845 1.00 0.00 H new ATOM 0 HH TYR A 809 14.872 3.771 -8.979 1.00 0.00 H new ATOM 1585 N TYR A 810 9.701 7.017 -3.458 1.00 0.00 N ATOM 1586 CA TYR A 810 9.129 7.453 -2.191 1.00 0.00 C ATOM 1587 C TYR A 810 8.015 8.442 -2.447 1.00 0.00 C ATOM 1588 O TYR A 810 6.877 8.235 -2.034 1.00 0.00 O ATOM 1589 CB TYR A 810 10.186 8.091 -1.299 1.00 0.00 C ATOM 1590 CG TYR A 810 9.756 8.238 0.143 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.524 8.751 0.464 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.591 7.865 1.175 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.132 8.892 1.774 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.214 8.001 2.492 1.00 0.00 C ATOM 1595 CZ TYR A 810 8.978 8.516 2.789 1.00 0.00 C ATOM 1596 OH TYR A 810 8.588 8.657 4.099 1.00 0.00 O ATOM 0 H TYR A 810 10.720 6.965 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 810 8.733 6.577 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.094 7.489 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.438 9.074 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 810 7.851 9.049 -0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.564 7.456 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.159 9.299 2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 810 10.886 7.705 3.284 1.00 0.00 H new ATOM 0 HH TYR A 810 8.681 7.799 4.562 1.00 0.00 H new ATOM 1606 N LYS A 811 8.351 9.531 -3.107 1.00 0.00 N ATOM 1607 CA LYS A 811 7.359 10.530 -3.436 1.00 0.00 C ATOM 1608 C LYS A 811 6.197 9.842 -4.095 1.00 0.00 C ATOM 1609 O LYS A 811 5.076 9.916 -3.629 1.00 0.00 O ATOM 1610 CB LYS A 811 7.932 11.545 -4.409 1.00 0.00 C ATOM 1611 CG LYS A 811 9.416 11.773 -4.249 1.00 0.00 C ATOM 1612 CD LYS A 811 9.886 12.839 -5.208 1.00 0.00 C ATOM 1613 CE LYS A 811 9.423 14.204 -4.748 1.00 0.00 C ATOM 1614 NZ LYS A 811 10.415 14.857 -3.848 1.00 0.00 N ATOM 0 H LYS A 811 9.297 9.745 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 811 7.049 11.043 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 811 7.733 11.211 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.412 12.494 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.637 12.072 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.956 10.844 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 811 10.974 12.821 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 811 9.500 12.635 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 811 9.249 14.839 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 811 8.470 14.107 -4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 10.058 15.789 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 10.563 14.264 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 11.317 14.974 -4.352 1.00 0.00 H new ATOM 1628 N CYS A 812 6.505 9.168 -5.189 1.00 0.00 N ATOM 1629 CA CYS A 812 5.521 8.420 -5.952 1.00 0.00 C ATOM 1630 C CYS A 812 4.600 7.625 -5.035 1.00 0.00 C ATOM 1631 O CYS A 812 3.448 7.377 -5.369 1.00 0.00 O ATOM 1632 CB CYS A 812 6.234 7.470 -6.907 1.00 0.00 C ATOM 1633 SG CYS A 812 6.812 8.243 -8.436 1.00 0.00 S ATOM 0 H CYS A 812 7.448 9.124 -5.575 1.00 0.00 H new ATOM 0 HA CYS A 812 4.913 9.128 -6.515 1.00 0.00 H new ATOM 0 HB2 CYS A 812 7.087 7.029 -6.392 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.558 6.653 -7.160 1.00 0.00 H new ATOM 0 HG CYS A 812 7.404 7.353 -9.175 1.00 0.00 H new ATOM 1639 N ALA A 813 5.112 7.227 -3.881 1.00 0.00 N ATOM 1640 CA ALA A 813 4.318 6.475 -2.923 1.00 0.00 C ATOM 1641 C ALA A 813 3.292 7.402 -2.307 1.00 0.00 C ATOM 1642 O ALA A 813 2.112 7.092 -2.255 1.00 0.00 O ATOM 1643 CB ALA A 813 5.213 5.856 -1.862 1.00 0.00 C ATOM 0 H ALA A 813 6.071 7.412 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 813 3.801 5.658 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.603 5.297 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.927 5.183 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.751 6.644 -1.335 1.00 0.00 H new ATOM 1649 N ASN A 814 3.772 8.551 -1.860 1.00 0.00 N ATOM 1650 CA ASN A 814 2.944 9.585 -1.278 1.00 0.00 C ATOM 1651 C ASN A 814 1.938 10.075 -2.308 1.00 0.00 C ATOM 1652 O ASN A 814 0.741 10.198 -2.044 1.00 0.00 O ATOM 1653 CB ASN A 814 3.846 10.743 -0.882 1.00 0.00 C ATOM 1654 CG ASN A 814 3.206 11.676 0.127 1.00 0.00 C ATOM 1655 OD1 ASN A 814 2.528 12.635 -0.240 1.00 0.00 O ATOM 1656 ND2 ASN A 814 3.419 11.397 1.408 1.00 0.00 N ATOM 0 H ASN A 814 4.763 8.791 -1.893 1.00 0.00 H new ATOM 0 HA ASN A 814 2.411 9.194 -0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.773 10.348 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.113 11.310 -1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 814 3.013 11.989 2.133 1.00 0.00 H new ATOM 0 HD22 ASN A 814 3.988 10.591 1.667 1.00 0.00 H new ATOM 1663 N ILE A 815 2.469 10.318 -3.494 1.00 0.00 N ATOM 1664 CA ILE A 815 1.714 10.813 -4.627 1.00 0.00 C ATOM 1665 C ILE A 815 0.599 9.856 -4.981 1.00 0.00 C ATOM 1666 O ILE A 815 -0.578 10.206 -4.931 1.00 0.00 O ATOM 1667 CB ILE A 815 2.655 11.001 -5.814 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.472 12.262 -5.606 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.893 11.044 -7.122 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.840 12.181 -6.204 1.00 0.00 C ATOM 0 H ILE A 815 3.458 10.173 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 815 1.264 11.771 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 815 3.329 10.147 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.941 13.108 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.560 12.458 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.593 11.179 -7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.349 10.109 -7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.188 11.875 -7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.373 13.114 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.387 11.355 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.758 12.015 -7.278 1.00 0.00 H new ATOM 1682 N LEU A 816 0.984 8.651 -5.363 1.00 0.00 N ATOM 1683 CA LEU A 816 0.036 7.615 -5.655 1.00 0.00 C ATOM 1684 C LEU A 816 -0.953 7.525 -4.510 1.00 0.00 C ATOM 1685 O LEU A 816 -2.147 7.661 -4.697 1.00 0.00 O ATOM 1686 CB LEU A 816 0.775 6.299 -5.808 1.00 0.00 C ATOM 1687 CG LEU A 816 0.122 5.289 -6.715 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.901 4.012 -6.683 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.297 5.089 -6.302 1.00 0.00 C ATOM 0 H LEU A 816 1.959 8.374 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.498 7.835 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.776 6.507 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.893 5.852 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 816 0.119 5.651 -7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.429 3.281 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.920 4.199 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.923 3.624 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.768 4.358 -6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.329 4.727 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.833 6.036 -6.370 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.419 7.318 -3.319 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.222 7.214 -2.109 1.00 0.00 C ATOM 1703 C GLU A 817 -2.301 8.308 -2.064 1.00 0.00 C ATOM 1704 O GLU A 817 -3.362 8.124 -1.490 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.300 7.332 -0.899 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.953 6.939 0.416 1.00 0.00 C ATOM 1707 CD GLU A 817 -1.407 8.139 1.226 1.00 0.00 C ATOM 1708 OE1 GLU A 817 -2.491 8.680 0.931 1.00 0.00 O ATOM 1709 OE2 GLU A 817 -0.676 8.535 2.159 1.00 0.00 O ATOM 0 H GLU A 817 0.584 7.217 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.731 6.250 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.576 6.704 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.054 8.360 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.810 6.297 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -0.248 6.353 1.006 1.00 0.00 H new ATOM 1716 N LYS A 818 -2.018 9.454 -2.660 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.978 10.555 -2.703 1.00 0.00 C ATOM 1718 C LYS A 818 -4.024 10.302 -3.780 1.00 0.00 C ATOM 1719 O LYS A 818 -5.223 10.287 -3.507 1.00 0.00 O ATOM 1720 CB LYS A 818 -2.248 11.843 -3.006 1.00 0.00 C ATOM 1721 CG LYS A 818 -1.487 12.418 -1.832 1.00 0.00 C ATOM 1722 CD LYS A 818 -0.148 12.970 -2.271 1.00 0.00 C ATOM 1723 CE LYS A 818 -0.328 14.261 -3.035 1.00 0.00 C ATOM 1724 NZ LYS A 818 -0.372 15.444 -2.130 1.00 0.00 N ATOM 0 H LYS A 818 -1.131 9.651 -3.123 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.476 10.629 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.551 11.668 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -2.969 12.583 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.075 13.208 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -1.336 11.645 -1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 818 0.484 13.142 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 818 0.365 12.240 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 818 0.490 14.379 -3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.250 14.214 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -0.497 16.309 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -1.168 15.345 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 0.518 15.505 -1.595 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.556 10.136 -5.014 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.442 9.843 -6.138 1.00 0.00 C ATOM 1740 C PHE A 819 -5.314 8.673 -5.731 1.00 0.00 C ATOM 1741 O PHE A 819 -6.542 8.734 -5.785 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.593 9.505 -7.368 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.295 8.744 -8.471 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.738 7.443 -8.274 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.468 9.316 -9.721 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.335 6.734 -9.278 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.077 8.609 -10.742 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.510 7.314 -10.519 1.00 0.00 C ATOM 0 H PHE A 819 -2.569 10.199 -5.262 1.00 0.00 H new ATOM 0 HA PHE A 819 -5.072 10.696 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.207 10.435 -7.785 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.733 8.921 -7.041 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.608 6.981 -7.306 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.124 10.324 -9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.669 5.722 -9.101 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.214 9.067 -11.711 1.00 0.00 H new ATOM 0 HZ PHE A 819 -5.984 6.758 -11.314 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.636 7.595 -5.360 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.276 6.403 -4.859 1.00 0.00 C ATOM 1760 C PHE A 820 -6.333 6.824 -3.873 1.00 0.00 C ATOM 1761 O PHE A 820 -7.471 6.400 -3.989 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.207 5.486 -4.260 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.524 4.807 -2.970 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -5.092 3.597 -3.021 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -4.182 5.322 -1.740 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -5.345 2.871 -1.905 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -4.446 4.603 -0.583 1.00 0.00 C ATOM 1768 CZ PHE A 820 -5.033 3.360 -0.676 1.00 0.00 C ATOM 0 H PHE A 820 -3.619 7.531 -5.402 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.771 5.833 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -3.973 4.717 -4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.301 6.075 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -5.358 3.185 -3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -3.706 6.289 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -5.799 1.895 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -4.193 5.015 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.242 2.784 0.213 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.972 7.732 -2.960 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.924 8.225 -1.975 1.00 0.00 C ATOM 1780 C PHE A 821 -8.183 8.775 -2.622 1.00 0.00 C ATOM 1781 O PHE A 821 -9.272 8.600 -2.097 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.281 9.237 -1.040 1.00 0.00 C ATOM 1783 CG PHE A 821 -6.075 8.642 0.311 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.296 7.526 0.406 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.696 9.131 1.447 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.110 6.877 1.602 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.511 8.500 2.668 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.716 7.366 2.745 1.00 0.00 C ATOM 0 H PHE A 821 -5.037 8.133 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.231 7.371 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.325 9.563 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.913 10.122 -0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.814 7.143 -0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.326 10.006 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.495 5.991 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.985 8.891 3.557 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.571 6.868 3.692 1.00 0.00 H new ATOM 1798 N SER A 822 -8.045 9.422 -3.765 1.00 0.00 N ATOM 1799 CA SER A 822 -9.207 9.958 -4.459 1.00 0.00 C ATOM 1800 C SER A 822 -10.024 8.829 -5.085 1.00 0.00 C ATOM 1801 O SER A 822 -11.226 8.960 -5.280 1.00 0.00 O ATOM 1802 CB SER A 822 -8.777 10.955 -5.536 1.00 0.00 C ATOM 1803 OG SER A 822 -9.897 11.448 -6.251 1.00 0.00 O ATOM 0 H SER A 822 -7.153 9.589 -4.230 1.00 0.00 H new ATOM 0 HA SER A 822 -9.829 10.478 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.242 11.785 -5.075 1.00 0.00 H new ATOM 0 HB3 SER A 822 -8.084 10.473 -6.226 1.00 0.00 H new ATOM 0 HG SER A 822 -9.596 12.084 -6.933 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.352 7.717 -5.376 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.986 6.546 -5.993 1.00 0.00 C ATOM 1811 C LYS A 823 -10.719 5.688 -4.978 1.00 0.00 C ATOM 1812 O LYS A 823 -11.784 5.140 -5.260 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.913 5.706 -6.686 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.112 6.457 -7.723 1.00 0.00 C ATOM 1815 CD LYS A 823 -9.010 7.204 -8.683 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.351 8.462 -9.197 1.00 0.00 C ATOM 1817 NZ LYS A 823 -9.344 9.437 -9.727 1.00 0.00 N ATOM 0 H LYS A 823 -8.356 7.599 -5.193 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.722 6.904 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.232 5.313 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.390 4.849 -7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.442 7.160 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.486 5.758 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -9.264 6.557 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.944 7.460 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.781 8.927 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -7.641 8.204 -9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.849 10.285 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.871 9.004 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -10.006 9.704 -8.971 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.149 5.579 -3.802 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.743 4.793 -2.745 1.00 0.00 C ATOM 1833 C ILE A 824 -11.914 5.569 -2.202 1.00 0.00 C ATOM 1834 O ILE A 824 -13.017 5.055 -2.048 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.747 4.539 -1.629 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.682 5.568 -1.668 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -9.132 3.172 -1.768 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.548 5.281 -0.755 1.00 0.00 C ATOM 0 H ILE A 824 -9.268 6.028 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 824 -11.057 3.827 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.273 4.590 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.305 5.651 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -9.112 6.535 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.421 3.009 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.914 2.415 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.615 3.101 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.806 6.075 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.912 5.227 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -7.092 4.330 -1.029 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.647 6.841 -1.959 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.646 7.757 -1.451 1.00 0.00 C ATOM 1852 C LYS A 825 -13.872 7.685 -2.327 1.00 0.00 C ATOM 1853 O LYS A 825 -15.002 7.519 -1.869 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.134 9.184 -1.492 1.00 0.00 C ATOM 1855 CG LYS A 825 -12.082 9.835 -0.130 1.00 0.00 C ATOM 1856 CD LYS A 825 -11.529 11.235 -0.206 1.00 0.00 C ATOM 1857 CE LYS A 825 -10.031 11.204 -0.415 1.00 0.00 C ATOM 1858 NZ LYS A 825 -9.284 11.309 0.870 1.00 0.00 N ATOM 0 H LYS A 825 -10.731 7.265 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.877 7.478 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -11.136 9.193 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.775 9.775 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -13.083 9.861 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.464 9.235 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.005 11.776 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.763 11.775 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -9.755 10.278 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -9.740 12.024 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -8.301 11.588 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -9.735 12.024 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -9.294 10.388 1.354 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.594 7.820 -3.613 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.608 7.791 -4.648 1.00 0.00 C ATOM 1874 C GLU A 826 -15.368 6.486 -4.610 1.00 0.00 C ATOM 1875 O GLU A 826 -16.576 6.442 -4.846 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.937 7.964 -6.020 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.794 6.673 -6.812 1.00 0.00 C ATOM 1878 CD GLU A 826 -15.058 6.290 -7.560 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -15.438 7.024 -8.497 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -15.663 5.254 -7.214 1.00 0.00 O ATOM 0 H GLU A 826 -12.648 7.954 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.313 8.605 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.517 8.675 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.948 8.400 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -12.976 6.779 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -13.522 5.865 -6.133 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.645 5.424 -4.312 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.227 4.104 -4.294 1.00 0.00 C ATOM 1889 C ALA A 827 -15.698 3.647 -2.914 1.00 0.00 C ATOM 1890 O ALA A 827 -15.819 2.449 -2.678 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.217 3.140 -4.854 1.00 0.00 C ATOM 0 H ALA A 827 -13.652 5.454 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.130 4.133 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.634 2.133 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -13.968 3.426 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.316 3.161 -4.242 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.973 4.581 -2.009 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.439 4.200 -0.680 1.00 0.00 C ATOM 1899 C GLY A 828 -15.454 3.302 0.043 1.00 0.00 C ATOM 1900 O GLY A 828 -15.837 2.454 0.846 1.00 0.00 O ATOM 0 H GLY A 828 -15.884 5.585 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.610 5.098 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.397 3.688 -0.767 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.183 3.512 -0.236 1.00 0.00 N ATOM 1905 CA LEU A 829 -13.115 2.715 0.344 1.00 0.00 C ATOM 1906 C LEU A 829 -12.651 3.289 1.675 1.00 0.00 C ATOM 1907 O LEU A 829 -13.208 2.948 2.719 1.00 0.00 O ATOM 1908 CB LEU A 829 -11.984 2.651 -0.666 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.383 2.006 -2.000 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.225 1.358 -2.693 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.468 0.969 -1.803 1.00 0.00 C ATOM 0 H LEU A 829 -13.859 4.241 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.474 1.709 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.621 3.661 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.155 2.090 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.752 2.819 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.563 0.917 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.459 2.106 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.809 0.578 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.730 0.529 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.108 0.188 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.349 1.442 -1.368 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.623 4.144 1.629 1.00 0.00 N ATOM 1924 CA ILE A 830 -11.085 4.796 2.809 1.00 0.00 C ATOM 1925 C ILE A 830 -12.033 4.765 3.987 1.00 0.00 C ATOM 1926 O ILE A 830 -12.956 5.574 4.090 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.718 6.236 2.501 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.734 6.446 0.999 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.342 6.533 3.042 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.824 7.529 0.541 1.00 0.00 C ATOM 0 H ILE A 830 -11.145 4.398 0.765 1.00 0.00 H new ATOM 0 HA ILE A 830 -10.195 4.232 3.088 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.439 6.906 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.454 5.515 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.751 6.679 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -9.079 7.567 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.335 6.380 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.616 5.867 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.887 7.623 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.117 8.471 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.800 7.288 0.825 1.00 0.00 H new ATOM 1942 N ASP A 831 -11.793 3.817 4.871 1.00 0.00 N ATOM 1943 CA ASP A 831 -12.619 3.654 6.056 1.00 0.00 C ATOM 1944 C ASP A 831 -11.764 3.343 7.283 1.00 0.00 C ATOM 1945 O ASP A 831 -12.285 3.132 8.378 1.00 0.00 O ATOM 1946 CB ASP A 831 -13.646 2.541 5.831 1.00 0.00 C ATOM 1947 CG ASP A 831 -14.625 2.409 6.981 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -15.600 3.190 7.023 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -14.419 1.525 7.839 1.00 0.00 O ATOM 0 H ASP A 831 -11.030 3.144 4.793 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.143 4.592 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -14.196 2.740 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -13.125 1.594 5.692 1.00 0.00 H new ATOM 1954 N LYS A 832 -10.449 3.320 7.093 1.00 0.00 N ATOM 1955 CA LYS A 832 -9.522 3.031 8.183 1.00 0.00 C ATOM 1956 C LYS A 832 -9.296 4.267 9.049 1.00 0.00 C ATOM 1957 O LYS A 832 -10.110 4.500 9.968 1.00 0.00 O ATOM 1958 CB LYS A 832 -8.183 2.506 7.640 1.00 0.00 C ATOM 1959 CG LYS A 832 -7.941 2.799 6.162 1.00 0.00 C ATOM 1960 CD LYS A 832 -7.838 4.292 5.884 1.00 0.00 C ATOM 1961 CE LYS A 832 -6.531 4.872 6.400 1.00 0.00 C ATOM 1962 NZ LYS A 832 -5.350 4.246 5.749 1.00 0.00 N ATOM 1963 OXT LYS A 832 -8.306 4.989 8.808 1.00 0.00 O ATOM 0 H LYS A 832 -10.000 3.498 6.194 1.00 0.00 H new ATOM 0 HA LYS A 832 -9.970 2.254 8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -7.372 2.945 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -8.140 1.428 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -7.023 2.307 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -8.753 2.376 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -7.916 4.468 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -8.675 4.808 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -6.516 5.947 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -6.470 4.727 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -4.729 3.837 6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -5.667 3.495 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -4.827 4.967 5.212 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 27.128 -4.898 -1.733 1.00 0.00 N ATOM 1979 CA SER B 31 25.763 -4.385 -2.010 1.00 0.00 C ATOM 1980 C SER B 31 25.494 -4.334 -3.511 1.00 0.00 C ATOM 1981 O SER B 31 26.419 -4.423 -4.318 1.00 0.00 O ATOM 1982 CB SER B 31 25.593 -2.989 -1.407 1.00 0.00 C ATOM 1983 OG SER B 31 25.784 -3.013 -0.002 1.00 0.00 O ATOM 0 HA SER B 31 25.045 -5.066 -1.553 1.00 0.00 H new ATOM 0 HB2 SER B 31 26.307 -2.303 -1.863 1.00 0.00 H new ATOM 0 HB3 SER B 31 24.597 -2.610 -1.635 1.00 0.00 H new ATOM 0 HG SER B 31 26.509 -3.634 0.219 1.00 0.00 H new ATOM 1991 N THR B 32 24.224 -4.193 -3.878 1.00 0.00 N ATOM 1992 CA THR B 32 23.838 -4.133 -5.283 1.00 0.00 C ATOM 1993 C THR B 32 22.875 -2.980 -5.546 1.00 0.00 C ATOM 1994 O THR B 32 22.029 -2.658 -4.711 1.00 0.00 O ATOM 1995 CB THR B 32 23.183 -5.450 -5.743 1.00 0.00 C ATOM 1996 OG1 THR B 32 22.813 -5.357 -7.124 1.00 0.00 O ATOM 1997 CG2 THR B 32 21.952 -5.767 -4.904 1.00 0.00 C ATOM 0 H THR B 32 23.446 -4.118 -3.223 1.00 0.00 H new ATOM 0 HA THR B 32 24.753 -3.972 -5.852 1.00 0.00 H new ATOM 0 HB THR B 32 23.908 -6.254 -5.614 1.00 0.00 H new ATOM 0 HG1 THR B 32 22.399 -6.198 -7.409 1.00 0.00 H new ATOM 0 HG21 THR B 32 21.508 -6.701 -5.248 1.00 0.00 H new ATOM 0 HG22 THR B 32 22.241 -5.866 -3.858 1.00 0.00 H new ATOM 0 HG23 THR B 32 21.225 -4.961 -5.005 1.00 0.00 H new ATOM 2005 N GLY B 33 23.011 -2.362 -6.715 1.00 0.00 N ATOM 2006 CA GLY B 33 22.150 -1.253 -7.081 1.00 0.00 C ATOM 2007 C GLY B 33 21.886 -1.205 -8.573 1.00 0.00 C ATOM 2008 O GLY B 33 22.593 -0.521 -9.314 1.00 0.00 O ATOM 0 H GLY B 33 23.706 -2.612 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY B 33 21.203 -1.339 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY B 33 22.610 -0.317 -6.764 1.00 0.00 H new ATOM 2012 N GLY B 34 20.863 -1.931 -9.012 1.00 0.00 N ATOM 2013 CA GLY B 34 20.528 -1.965 -10.423 1.00 0.00 C ATOM 2014 C GLY B 34 19.648 -0.806 -10.849 1.00 0.00 C ATOM 2015 O GLY B 34 20.052 0.016 -11.672 1.00 0.00 O ATOM 0 H GLY B 34 20.260 -2.497 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY B 34 21.447 -1.952 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY B 34 20.019 -2.902 -10.648 1.00 0.00 H new ATOM 2019 N VAL B 35 18.444 -0.738 -10.289 1.00 0.00 N ATOM 2020 CA VAL B 35 17.507 0.325 -10.629 1.00 0.00 C ATOM 2021 C VAL B 35 16.831 0.900 -9.389 1.00 0.00 C ATOM 2022 O VAL B 35 16.827 2.113 -9.186 1.00 0.00 O ATOM 2023 CB VAL B 35 16.417 -0.178 -11.596 1.00 0.00 C ATOM 2024 CG1 VAL B 35 15.308 0.859 -11.746 1.00 0.00 C ATOM 2025 CG2 VAL B 35 17.023 -0.518 -12.950 1.00 0.00 C ATOM 0 H VAL B 35 18.096 -1.405 -9.600 1.00 0.00 H new ATOM 0 HA VAL B 35 18.092 1.107 -11.112 1.00 0.00 H new ATOM 0 HB VAL B 35 15.979 -1.084 -11.178 1.00 0.00 H new ATOM 0 HG11 VAL B 35 14.549 0.484 -12.433 1.00 0.00 H new ATOM 0 HG12 VAL B 35 14.855 1.050 -10.773 1.00 0.00 H new ATOM 0 HG13 VAL B 35 15.727 1.785 -12.139 1.00 0.00 H new ATOM 0 HG21 VAL B 35 16.240 -0.872 -13.621 1.00 0.00 H new ATOM 0 HG22 VAL B 35 17.489 0.371 -13.374 1.00 0.00 H new ATOM 0 HG23 VAL B 35 17.774 -1.298 -12.827 1.00 0.00 H new HETATM 2035 OH ALY B 36 9.987 1.967 -4.240 1.00 0.00 O HETATM 2036 CH ALY B 36 10.024 0.794 -4.607 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.718 -0.017 -4.584 1.00 0.00 C HETATM 2038 NZ ALY B 36 11.107 0.280 -5.204 1.00 0.00 N HETATM 2039 CE ALY B 36 11.528 -1.119 -5.079 1.00 0.00 C HETATM 2040 CD ALY B 36 12.741 -1.438 -5.941 1.00 0.00 C HETATM 2041 CG ALY B 36 13.857 -0.484 -5.693 1.00 0.00 C HETATM 2042 CB ALY B 36 14.982 -0.789 -6.642 1.00 0.00 C HETATM 2043 CA ALY B 36 15.550 0.437 -7.365 1.00 0.00 C HETATM 2044 N ALY B 36 16.257 0.021 -8.572 1.00 0.00 N HETATM 2045 C ALY B 36 16.442 1.252 -6.442 1.00 0.00 C HETATM 2046 O ALY B 36 17.038 0.708 -5.514 1.00 0.00 O HETATM 0 HH33 ALY B 36 8.330 -0.054 -3.566 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.984 0.457 -5.235 1.00 0.00 H new HETATM 0 HH31 ALY B 36 8.913 -1.030 -4.935 1.00 0.00 H new HETATM 0 HZ ALY B 36 11.674 0.900 -5.782 1.00 0.00 H new HETATM 0 HG3 ALY B 36 14.201 -0.567 -4.662 1.00 0.00 H new HETATM 0 HG2 ALY B 36 13.514 0.541 -5.833 1.00 0.00 H new HETATM 0 HE3 ALY B 36 10.702 -1.771 -5.363 1.00 0.00 H new HETATM 0 HE2 ALY B 36 11.760 -1.334 -4.036 1.00 0.00 H new HETATM 0 HD3 ALY B 36 12.459 -1.403 -6.993 1.00 0.00 H new HETATM 0 HD2 ALY B 36 13.078 -2.454 -5.734 1.00 0.00 H new HETATM 0 HCA ALY B 36 14.725 1.084 -7.662 1.00 0.00 H new HETATM 0 HB3 ALY B 36 14.630 -1.504 -7.386 1.00 0.00 H new HETATM 0 HB2 ALY B 36 15.786 -1.274 -6.089 1.00 0.00 H new HETATM 0 H ALY B 36 16.311 -0.968 -8.816 1.00 0.00 H new ATOM 2061 N LYS B 37 16.514 2.564 -6.724 1.00 0.00 N ATOM 2062 CA LYS B 37 17.308 3.515 -5.953 1.00 0.00 C ATOM 2063 C LYS B 37 17.557 2.999 -4.545 1.00 0.00 C ATOM 2064 O LYS B 37 16.779 3.254 -3.626 1.00 0.00 O ATOM 2065 CB LYS B 37 16.614 4.880 -5.920 1.00 0.00 C ATOM 2066 CG LYS B 37 16.890 5.711 -7.163 1.00 0.00 C ATOM 2067 CD LYS B 37 16.132 7.027 -7.144 1.00 0.00 C ATOM 2068 CE LYS B 37 16.548 7.926 -8.297 1.00 0.00 C ATOM 2069 NZ LYS B 37 16.445 7.233 -9.610 1.00 0.00 N ATOM 0 H LYS B 37 16.014 2.991 -7.504 1.00 0.00 H new ATOM 0 HA LYS B 37 18.276 3.631 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS B 37 15.539 4.734 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS B 37 16.946 5.430 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS B 37 17.959 5.909 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS B 37 16.609 5.143 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS B 37 15.061 6.832 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS B 37 16.313 7.539 -6.199 1.00 0.00 H new ATOM 0 HE2 LYS B 37 15.920 8.817 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS B 37 17.574 8.261 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 16.555 7.926 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 17.193 6.514 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 15.515 6.775 -9.689 1.00 0.00 H new ATOM 2083 N PRO B 38 18.661 2.252 -4.374 1.00 0.00 N ATOM 2084 CA PRO B 38 19.026 1.651 -3.092 1.00 0.00 C ATOM 2085 C PRO B 38 18.949 2.629 -1.923 1.00 0.00 C ATOM 2086 O PRO B 38 18.932 3.844 -2.117 1.00 0.00 O ATOM 2087 CB PRO B 38 20.485 1.254 -3.312 1.00 0.00 C ATOM 2088 CG PRO B 38 20.575 0.955 -4.762 1.00 0.00 C ATOM 2089 CD PRO B 38 19.653 1.935 -5.429 1.00 0.00 C ATOM 0 HA PRO B 38 18.352 0.836 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO B 38 21.162 2.060 -3.030 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.755 0.386 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO B 38 21.597 1.068 -5.124 1.00 0.00 H new ATOM 0 HG3 PRO B 38 20.275 -0.072 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO B 38 20.186 2.827 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO B 38 19.178 1.503 -6.310 1.00 0.00 H new ATOM 2097 N HIS B 39 18.928 2.076 -0.711 1.00 0.00 N ATOM 2098 CA HIS B 39 18.890 2.869 0.517 1.00 0.00 C ATOM 2099 C HIS B 39 18.734 1.958 1.732 1.00 0.00 C ATOM 2100 O HIS B 39 17.641 1.823 2.283 1.00 0.00 O ATOM 2101 CB HIS B 39 17.762 3.907 0.488 1.00 0.00 C ATOM 2102 CG HIS B 39 17.812 4.850 1.656 1.00 0.00 C ATOM 2103 ND1 HIS B 39 17.775 4.431 2.971 1.00 0.00 N ATOM 2104 CD2 HIS B 39 17.919 6.199 1.700 1.00 0.00 C ATOM 2105 CE1 HIS B 39 17.856 5.480 3.769 1.00 0.00 C ATOM 2106 NE2 HIS B 39 17.945 6.564 3.023 1.00 0.00 N ATOM 0 H HIS B 39 18.937 1.068 -0.553 1.00 0.00 H new ATOM 0 HA HIS B 39 19.835 3.407 0.590 1.00 0.00 H new ATOM 0 HB2 HIS B 39 17.823 4.479 -0.438 1.00 0.00 H new ATOM 0 HB3 HIS B 39 16.801 3.393 0.482 1.00 0.00 H new ATOM 0 HD1 HIS B 39 17.697 3.462 3.278 1.00 0.00 H new ATOM 0 HD2 HIS B 39 17.974 6.865 0.851 1.00 0.00 H new ATOM 0 HE1 HIS B 39 17.850 5.455 4.849 1.00 0.00 H new ATOM 2115 N ARG B 40 19.841 1.339 2.141 1.00 0.00 N ATOM 2116 CA ARG B 40 19.846 0.429 3.285 1.00 0.00 C ATOM 2117 C ARG B 40 18.966 0.948 4.419 1.00 0.00 C ATOM 2118 O ARG B 40 19.295 1.936 5.076 1.00 0.00 O ATOM 2119 CB ARG B 40 21.279 0.218 3.785 1.00 0.00 C ATOM 2120 CG ARG B 40 22.016 1.511 4.098 1.00 0.00 C ATOM 2121 CD ARG B 40 23.462 1.253 4.485 1.00 0.00 C ATOM 2122 NE ARG B 40 24.231 0.684 3.382 1.00 0.00 N ATOM 2123 CZ ARG B 40 25.512 0.959 3.156 1.00 0.00 C ATOM 2124 NH1 ARG B 40 26.164 1.798 3.951 1.00 0.00 N ATOM 2125 NH2 ARG B 40 26.142 0.400 2.132 1.00 0.00 N ATOM 0 H ARG B 40 20.751 1.453 1.694 1.00 0.00 H new ATOM 0 HA ARG B 40 19.435 -0.525 2.954 1.00 0.00 H new ATOM 0 HB2 ARG B 40 21.254 -0.401 4.682 1.00 0.00 H new ATOM 0 HB3 ARG B 40 21.839 -0.335 3.031 1.00 0.00 H new ATOM 0 HG2 ARG B 40 21.983 2.168 3.229 1.00 0.00 H new ATOM 0 HG3 ARG B 40 21.509 2.032 4.910 1.00 0.00 H new ATOM 0 HD2 ARG B 40 23.924 2.187 4.805 1.00 0.00 H new ATOM 0 HD3 ARG B 40 23.493 0.574 5.337 1.00 0.00 H new ATOM 0 HE ARG B 40 23.759 0.039 2.749 1.00 0.00 H new ATOM 0 HH11 ARG B 40 25.682 2.234 4.738 1.00 0.00 H new ATOM 0 HH12 ARG B 40 27.147 2.007 3.775 1.00 0.00 H new ATOM 0 HH21 ARG B 40 25.644 -0.242 1.516 1.00 0.00 H new ATOM 0 HH22 ARG B 40 27.125 0.612 1.960 1.00 0.00 H new ATOM 2139 N TYR B 41 17.838 0.278 4.636 1.00 0.00 N ATOM 2140 CA TYR B 41 16.910 0.671 5.687 1.00 0.00 C ATOM 2141 C TYR B 41 16.692 -0.471 6.674 1.00 0.00 C ATOM 2142 O TYR B 41 17.023 -1.622 6.387 1.00 0.00 O ATOM 2143 CB TYR B 41 15.570 1.112 5.088 1.00 0.00 C ATOM 2144 CG TYR B 41 14.721 1.914 6.053 1.00 0.00 C ATOM 2145 CD1 TYR B 41 15.119 3.182 6.462 1.00 0.00 C ATOM 2146 CD2 TYR B 41 13.532 1.406 6.567 1.00 0.00 C ATOM 2147 CE1 TYR B 41 14.359 3.920 7.348 1.00 0.00 C ATOM 2148 CE2 TYR B 41 12.767 2.138 7.456 1.00 0.00 C ATOM 2149 CZ TYR B 41 13.185 3.393 7.843 1.00 0.00 C ATOM 2150 OH TYR B 41 12.426 4.125 8.728 1.00 0.00 O ATOM 0 H TYR B 41 17.546 -0.538 4.098 1.00 0.00 H new ATOM 0 HA TYR B 41 17.348 1.513 6.223 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.757 1.709 4.196 1.00 0.00 H new ATOM 0 HB3 TYR B 41 15.013 0.230 4.770 1.00 0.00 H new ATOM 0 HD1 TYR B 41 16.040 3.597 6.080 1.00 0.00 H new ATOM 0 HD2 TYR B 41 13.201 0.423 6.266 1.00 0.00 H new ATOM 0 HE1 TYR B 41 14.683 4.905 7.652 1.00 0.00 H new ATOM 0 HE2 TYR B 41 11.847 1.728 7.845 1.00 0.00 H new ATOM 0 HH TYR B 41 11.630 3.611 8.979 1.00 0.00 H new ATOM 2160 N LYS B 42 16.139 -0.139 7.837 1.00 0.00 N ATOM 2161 CA LYS B 42 15.871 -1.128 8.875 1.00 0.00 C ATOM 2162 C LYS B 42 17.165 -1.772 9.363 1.00 0.00 C ATOM 2163 O LYS B 42 17.616 -2.778 8.815 1.00 0.00 O ATOM 2164 CB LYS B 42 14.922 -2.208 8.349 1.00 0.00 C ATOM 2165 CG LYS B 42 14.086 -2.872 9.433 1.00 0.00 C ATOM 2166 CD LYS B 42 13.130 -1.886 10.088 1.00 0.00 C ATOM 2167 CE LYS B 42 12.296 -2.553 11.170 1.00 0.00 C ATOM 2168 NZ LYS B 42 13.147 -3.156 12.234 1.00 0.00 N ATOM 0 H LYS B 42 15.867 0.812 8.084 1.00 0.00 H new ATOM 0 HA LYS B 42 15.401 -0.615 9.714 1.00 0.00 H new ATOM 0 HB2 LYS B 42 14.255 -1.764 7.610 1.00 0.00 H new ATOM 0 HB3 LYS B 42 15.505 -2.972 7.834 1.00 0.00 H new ATOM 0 HG2 LYS B 42 13.519 -3.697 9.002 1.00 0.00 H new ATOM 0 HG3 LYS B 42 14.744 -3.299 10.190 1.00 0.00 H new ATOM 0 HD2 LYS B 42 13.696 -1.061 10.520 1.00 0.00 H new ATOM 0 HD3 LYS B 42 12.472 -1.459 9.332 1.00 0.00 H new ATOM 0 HE2 LYS B 42 11.624 -1.819 11.615 1.00 0.00 H new ATOM 0 HE3 LYS B 42 11.672 -3.326 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 12.558 -3.388 13.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 13.593 -4.023 11.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 13.885 -2.479 12.514 1.00 0.00 H new ATOM 2182 N CYS B 43 17.760 -1.183 10.396 1.00 0.00 N ATOM 2183 CA CYS B 43 19.001 -1.700 10.960 1.00 0.00 C ATOM 2184 C CYS B 43 18.776 -2.242 12.368 1.00 0.00 C ATOM 2185 O CYS B 43 18.862 -1.448 13.329 1.00 0.00 O ATOM 2186 CB CYS B 43 20.070 -0.606 10.986 1.00 0.00 C ATOM 2187 SG CYS B 43 20.493 0.054 9.356 1.00 0.00 S ATOM 2188 OXT CYS B 43 18.515 -3.457 12.499 1.00 0.00 O ATOM 0 H CYS B 43 17.402 -0.347 10.859 1.00 0.00 H new ATOM 0 HA CYS B 43 19.344 -2.518 10.327 1.00 0.00 H new ATOM 0 HB2 CYS B 43 19.722 0.211 11.618 1.00 0.00 H new ATOM 0 HB3 CYS B 43 20.972 -1.006 11.449 1.00 0.00 H new ATOM 0 HG CYS B 43 21.403 0.974 9.483 1.00 0.00 H new TER 2194 CYS B 43