USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=51 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 NoAdj-H: B 36 ALY H : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD Set 1.1: A 760 TYR OH : rot -20:sc= -0.297 USER MOD Set 1.2: A 798 ASN :FLIP amide:sc= -7.2! C(o=-21!,f=-19!) USER MOD Set 1.3: A 799 CYS SG : rot -154:sc= -11.2! USER MOD Set 2.1: A 789 MET CE :methyl -140:sc= -12.3! (180deg=-13.8!) USER MOD Set 2.2: A 793 GLN :FLIP amide:sc= -2.66 F(o=-20!,f=-15) USER MOD Set 2.3: A 832 LYS NZ :NH3+ -144:sc= -0.0372 (180deg=-0.315) USER MOD Set 3.1: A 773 MET CE :methyl 127:sc= -10.6! (180deg=-12.1!) USER MOD Set 3.2: A 782 TYR OH : rot -35:sc= -6.34! USER MOD Set 4.1: A 744 SER OG : rot -40:sc= 0.401 USER MOD Set 4.2: A 812 CYS SG : rot 94:sc= 0.336 USER MOD Set 5.1: A 730 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 733 LYS NZ :NH3+ 163:sc= -0.425 (180deg=-1.02) 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=-0.084) USER MOD Single : A 718 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 720 LYS NZ :NH3+ 138:sc= 0.0358 (180deg=0) USER MOD Single : A 727 GLN :FLIP amide:sc= -0.425 F(o=-2.5!,f=-0.42) USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 94:sc= 1.15 USER MOD Single : A 734 SER OG : rot 180:sc= 0 USER MOD Single : A 737 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 738 GLN :FLIP amide:sc= -2.57 F(o=-7!,f=-2.6) USER MOD Single : A 740 LYS NZ :NH3+ -119:sc= -2 (180deg=-3.65!) USER MOD Single : A 741 SER OG : rot -41:sc= 0.0256 USER MOD Single : A 742 HIS : no HD1:sc= -10.2! C(o=-10!,f=-19!) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 749 MET CE :methyl -109:sc= -4.34! (180deg=-7.73!) 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 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl 149:sc= -7.46! (180deg=-9.87!) USER MOD Single : A 771 LYS NZ :NH3+ 171:sc=-0.00308 (180deg=-0.0912) USER MOD Single : A 772 THR OG1 : rot 180:sc= 0 USER MOD Single : A 774 SER OG : rot -20:sc= 0.135 USER MOD Single : A 778 LYS NZ :NH3+ 164:sc=-0.00856 (180deg=-0.146) USER MOD Single : A 779 ASN :FLIP amide:sc= -4.06! C(o=-8.8!,f=-4.1!) USER MOD Single : A 781 TYR OH : rot 180:sc= -0.73 USER MOD Single : A 784 SER OG : rot 49:sc= 0.0213 USER MOD Single : A 785 LYS NZ :NH3+ -113:sc=-0.00467 (180deg=-0.119) USER MOD Single : A 786 LYS NZ :NH3+ 158:sc= -0.0968 (180deg=-0.648) USER MOD Single : A 797 THR OG1 : rot -59:sc= 1.27 USER MOD Single : A 800 LYS NZ :NH3+ -165:sc= -4.4! (180deg=-4.6!) USER MOD Single : A 802 TYR OH : rot 19:sc= -3.38 USER MOD Single : A 803 ASN : amide:sc= -19.5! C(o=-20!,f=-23!) USER MOD Single : A 807 SER OG : rot 26:sc= -1.81 USER MOD Single : A 809 TYR OH : rot 0:sc= -0.205 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 ASN :FLIP amide:sc= -0.097 F(o=-0.86!,f=-0.097) USER MOD Single : A 818 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0133) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ -142:sc= 1.24 (180deg=-0.824) USER MOD Single : B 39 HIS :FLIP no HD1:sc= -1.18 F(o=-1.8,f=-1.2) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 166:sc= -0.0109 (180deg=-0.201) USER MOD Single : B 43 CYS SG : rot 180:sc= -0.419 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -29.912 7.068 7.948 1.00 0.00 N ATOM 2 CA GLY A 715 -30.467 6.536 9.222 1.00 0.00 C ATOM 3 C GLY A 715 -29.385 6.106 10.192 1.00 0.00 C ATOM 4 O GLY A 715 -29.345 6.569 11.333 1.00 0.00 O ATOM 0 HA2 GLY A 715 -31.088 7.299 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -31.115 5.687 9.006 1.00 0.00 H new ATOM 10 N SER A 716 -28.505 5.220 9.738 1.00 0.00 N ATOM 11 CA SER A 716 -27.415 4.728 10.573 1.00 0.00 C ATOM 12 C SER A 716 -26.121 4.620 9.772 1.00 0.00 C ATOM 13 O SER A 716 -25.027 4.750 10.322 1.00 0.00 O ATOM 14 CB SER A 716 -27.779 3.364 11.165 1.00 0.00 C ATOM 15 OG SER A 716 -26.731 2.867 11.979 1.00 0.00 O ATOM 0 H SER A 716 -28.525 4.828 8.797 1.00 0.00 H new ATOM 0 HA SER A 716 -27.259 5.440 11.383 1.00 0.00 H new ATOM 0 HB2 SER A 716 -28.692 3.451 11.754 1.00 0.00 H new ATOM 0 HB3 SER A 716 -27.985 2.658 10.361 1.00 0.00 H new ATOM 0 HG SER A 716 -26.988 1.996 12.347 1.00 0.00 H new ATOM 21 N HIS A 717 -26.254 4.383 8.470 1.00 0.00 N ATOM 22 CA HIS A 717 -25.097 4.259 7.591 1.00 0.00 C ATOM 23 C HIS A 717 -24.480 5.626 7.312 1.00 0.00 C ATOM 24 O HIS A 717 -25.060 6.659 7.647 1.00 0.00 O ATOM 25 CB HIS A 717 -25.502 3.594 6.275 1.00 0.00 C ATOM 26 CG HIS A 717 -26.166 2.264 6.456 1.00 0.00 C ATOM 27 ND1 HIS A 717 -27.531 2.117 6.585 1.00 0.00 N ATOM 28 CD2 HIS A 717 -25.647 1.015 6.529 1.00 0.00 C ATOM 29 CE1 HIS A 717 -27.823 0.837 6.732 1.00 0.00 C ATOM 30 NE2 HIS A 717 -26.696 0.148 6.700 1.00 0.00 N ATOM 0 H HIS A 717 -27.153 4.273 8.001 1.00 0.00 H new ATOM 0 HA HIS A 717 -24.354 3.638 8.092 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -26.177 4.258 5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -24.615 3.467 5.654 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -24.602 0.751 6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -28.813 0.424 6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -26.619 -0.865 6.788 1.00 0.00 H new ATOM 39 N MET A 718 -23.301 5.623 6.697 1.00 0.00 N ATOM 40 CA MET A 718 -22.605 6.865 6.374 1.00 0.00 C ATOM 41 C MET A 718 -22.832 7.260 4.917 1.00 0.00 C ATOM 42 O MET A 718 -22.103 8.087 4.368 1.00 0.00 O ATOM 43 CB MET A 718 -21.107 6.722 6.653 1.00 0.00 C ATOM 44 CG MET A 718 -20.781 6.519 8.123 1.00 0.00 C ATOM 45 SD MET A 718 -21.424 7.845 9.163 1.00 0.00 S ATOM 46 CE MET A 718 -20.915 7.284 10.785 1.00 0.00 C ATOM 0 H MET A 718 -22.808 4.776 6.413 1.00 0.00 H new ATOM 0 HA MET A 718 -23.011 7.653 7.008 1.00 0.00 H new ATOM 0 HB2 MET A 718 -20.718 5.878 6.083 1.00 0.00 H new ATOM 0 HB3 MET A 718 -20.592 7.613 6.294 1.00 0.00 H new ATOM 0 HG2 MET A 718 -21.196 5.567 8.456 1.00 0.00 H new ATOM 0 HG3 MET A 718 -19.700 6.456 8.247 1.00 0.00 H new ATOM 0 HE1 MET A 718 -21.241 8.002 11.537 1.00 0.00 H new ATOM 0 HE2 MET A 718 -21.364 6.313 10.992 1.00 0.00 H new ATOM 0 HE3 MET A 718 -19.829 7.195 10.815 1.00 0.00 H new ATOM 56 N SER A 719 -23.850 6.663 4.302 1.00 0.00 N ATOM 57 CA SER A 719 -24.191 6.951 2.912 1.00 0.00 C ATOM 58 C SER A 719 -23.008 6.700 1.979 1.00 0.00 C ATOM 59 O SER A 719 -22.823 7.412 0.992 1.00 0.00 O ATOM 60 CB SER A 719 -24.663 8.401 2.773 1.00 0.00 C ATOM 61 OG SER A 719 -25.773 8.660 3.614 1.00 0.00 O ATOM 0 H SER A 719 -24.456 5.974 4.747 1.00 0.00 H new ATOM 0 HA SER A 719 -24.997 6.277 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 719 -23.847 9.078 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 719 -24.934 8.600 1.736 1.00 0.00 H new ATOM 0 HG SER A 719 -26.054 9.593 3.507 1.00 0.00 H new ATOM 67 N LYS A 720 -22.211 5.682 2.293 1.00 0.00 N ATOM 68 CA LYS A 720 -21.057 5.339 1.484 1.00 0.00 C ATOM 69 C LYS A 720 -20.617 3.917 1.792 1.00 0.00 C ATOM 70 O LYS A 720 -21.424 3.089 2.219 1.00 0.00 O ATOM 71 CB LYS A 720 -19.911 6.318 1.752 1.00 0.00 C ATOM 72 CG LYS A 720 -19.494 6.383 3.212 1.00 0.00 C ATOM 73 CD LYS A 720 -18.219 7.191 3.395 1.00 0.00 C ATOM 74 CE LYS A 720 -17.007 6.454 2.846 1.00 0.00 C ATOM 75 NZ LYS A 720 -15.763 7.262 2.967 1.00 0.00 N ATOM 0 H LYS A 720 -22.349 5.082 3.106 1.00 0.00 H new ATOM 0 HA LYS A 720 -21.330 5.406 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -19.050 6.030 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -20.211 7.313 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -20.296 6.829 3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -19.343 5.373 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -18.321 8.152 2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -18.069 7.401 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -16.882 5.513 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -17.177 6.205 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -14.982 6.651 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -15.528 7.678 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -15.909 8.022 3.662 1.00 0.00 H new ATOM 89 N GLU A 721 -19.340 3.639 1.574 1.00 0.00 N ATOM 90 CA GLU A 721 -18.784 2.320 1.835 1.00 0.00 C ATOM 91 C GLU A 721 -19.433 1.258 0.952 1.00 0.00 C ATOM 92 O GLU A 721 -20.578 0.857 1.162 1.00 0.00 O ATOM 93 CB GLU A 721 -18.936 1.951 3.313 1.00 0.00 C ATOM 94 CG GLU A 721 -18.273 0.635 3.684 1.00 0.00 C ATOM 95 CD GLU A 721 -18.419 0.305 5.156 1.00 0.00 C ATOM 96 OE1 GLU A 721 -19.476 -0.236 5.541 1.00 0.00 O ATOM 97 OE2 GLU A 721 -17.476 0.587 5.924 1.00 0.00 O ATOM 0 H GLU A 721 -18.666 4.315 1.215 1.00 0.00 H new ATOM 0 HA GLU A 721 -17.722 2.356 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -18.510 2.747 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -19.997 1.895 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -18.710 -0.168 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -17.214 0.681 3.429 1.00 0.00 H new ATOM 104 N PRO A 722 -18.678 0.796 -0.051 1.00 0.00 N ATOM 105 CA PRO A 722 -19.115 -0.221 -1.006 1.00 0.00 C ATOM 106 C PRO A 722 -19.465 -1.543 -0.334 1.00 0.00 C ATOM 107 O PRO A 722 -20.498 -2.145 -0.628 1.00 0.00 O ATOM 108 CB PRO A 722 -17.916 -0.389 -1.930 1.00 0.00 C ATOM 109 CG PRO A 722 -16.781 0.191 -1.196 1.00 0.00 C ATOM 110 CD PRO A 722 -17.322 1.250 -0.328 1.00 0.00 C ATOM 0 HA PRO A 722 -20.026 0.079 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -17.740 -1.440 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -18.075 0.123 -2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -16.275 -0.572 -0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -16.043 0.599 -1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.739 1.357 0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -17.316 2.220 -0.825 1.00 0.00 H new ATOM 118 N ARG A 723 -18.594 -1.990 0.569 1.00 0.00 N ATOM 119 CA ARG A 723 -18.804 -3.241 1.291 1.00 0.00 C ATOM 120 C ARG A 723 -18.837 -4.417 0.322 1.00 0.00 C ATOM 121 O ARG A 723 -18.591 -4.248 -0.871 1.00 0.00 O ATOM 122 CB ARG A 723 -20.104 -3.185 2.098 1.00 0.00 C ATOM 123 CG ARG A 723 -20.034 -3.944 3.412 1.00 0.00 C ATOM 124 CD ARG A 723 -19.121 -3.246 4.409 1.00 0.00 C ATOM 125 NE ARG A 723 -18.964 -4.013 5.642 1.00 0.00 N ATOM 126 CZ ARG A 723 -18.262 -3.589 6.688 1.00 0.00 C ATOM 127 NH1 ARG A 723 -17.665 -2.405 6.657 1.00 0.00 N ATOM 128 NH2 ARG A 723 -18.157 -4.350 7.770 1.00 0.00 N ATOM 0 H ARG A 723 -17.734 -1.502 0.818 1.00 0.00 H new ATOM 0 HA ARG A 723 -17.972 -3.381 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -20.351 -2.143 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.915 -3.593 1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -21.035 -4.035 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -19.671 -4.956 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -18.143 -3.087 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -19.527 -2.262 4.644 1.00 0.00 H new ATOM 0 HE ARG A 723 -19.418 -4.924 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -17.744 -1.816 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -17.127 -2.084 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -18.615 -5.261 7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -17.618 -4.024 8.572 1.00 0.00 H new ATOM 142 N ASP A 724 -19.136 -5.605 0.843 1.00 0.00 N ATOM 143 CA ASP A 724 -19.197 -6.818 0.028 1.00 0.00 C ATOM 144 C ASP A 724 -17.823 -7.160 -0.552 1.00 0.00 C ATOM 145 O ASP A 724 -17.023 -6.277 -0.844 1.00 0.00 O ATOM 146 CB ASP A 724 -20.213 -6.661 -1.099 1.00 0.00 C ATOM 147 CG ASP A 724 -21.623 -6.445 -0.587 1.00 0.00 C ATOM 148 OD1 ASP A 724 -22.004 -5.275 -0.373 1.00 0.00 O ATOM 149 OD2 ASP A 724 -22.347 -7.446 -0.398 1.00 0.00 O ATOM 0 H ASP A 724 -19.341 -5.755 1.831 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.513 -7.636 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -19.926 -5.818 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.191 -7.550 -1.729 1.00 0.00 H new ATOM 154 N PRO A 725 -17.540 -8.460 -0.728 1.00 0.00 N ATOM 155 CA PRO A 725 -16.269 -8.944 -1.243 1.00 0.00 C ATOM 156 C PRO A 725 -16.176 -8.850 -2.760 1.00 0.00 C ATOM 157 O PRO A 725 -15.082 -8.821 -3.316 1.00 0.00 O ATOM 158 CB PRO A 725 -16.217 -10.409 -0.775 1.00 0.00 C ATOM 159 CG PRO A 725 -17.512 -10.664 -0.069 1.00 0.00 C ATOM 160 CD PRO A 725 -18.451 -9.566 -0.482 1.00 0.00 C ATOM 0 HA PRO A 725 -15.433 -8.346 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -16.095 -11.085 -1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.370 -10.576 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -17.915 -11.640 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.370 -10.666 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -19.020 -9.831 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -19.173 -9.332 0.300 1.00 0.00 H new ATOM 168 N ASP A 726 -17.330 -8.815 -3.422 1.00 0.00 N ATOM 169 CA ASP A 726 -17.378 -8.717 -4.875 1.00 0.00 C ATOM 170 C ASP A 726 -17.463 -7.257 -5.267 1.00 0.00 C ATOM 171 O ASP A 726 -16.787 -6.807 -6.193 1.00 0.00 O ATOM 172 CB ASP A 726 -18.577 -9.487 -5.431 1.00 0.00 C ATOM 173 CG ASP A 726 -18.541 -10.958 -5.063 1.00 0.00 C ATOM 174 OD1 ASP A 726 -19.064 -11.313 -3.985 1.00 0.00 O ATOM 175 OD2 ASP A 726 -17.992 -11.754 -5.853 1.00 0.00 O ATOM 0 H ASP A 726 -18.245 -8.853 -2.973 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.474 -9.158 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -19.498 -9.043 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -18.598 -9.387 -6.516 1.00 0.00 H new ATOM 180 N GLN A 727 -18.310 -6.523 -4.554 1.00 0.00 N ATOM 181 CA GLN A 727 -18.460 -5.101 -4.788 1.00 0.00 C ATOM 182 C GLN A 727 -17.095 -4.456 -4.687 1.00 0.00 C ATOM 183 O GLN A 727 -16.683 -3.699 -5.558 1.00 0.00 O ATOM 184 CB GLN A 727 -19.413 -4.495 -3.762 1.00 0.00 C ATOM 185 CG GLN A 727 -20.865 -4.815 -4.053 1.00 0.00 C ATOM 186 CD GLN A 727 -21.832 -3.936 -3.285 1.00 0.00 C ATOM 187 OE1 GLN A 727 -21.445 -2.686 -3.055 1.00 0.00 O flip ATOM 188 NE2 GLN A 727 -22.921 -4.372 -2.910 1.00 0.00 N flip ATOM 0 H GLN A 727 -18.901 -6.894 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.879 -4.927 -5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.155 -4.865 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.280 -3.413 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.049 -4.701 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -21.057 -5.859 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -23.179 -5.339 -3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -23.565 -3.766 -2.402 1.00 0.00 H new ATOM 197 N LEU A 728 -16.394 -4.810 -3.618 1.00 0.00 N ATOM 198 CA LEU A 728 -15.055 -4.320 -3.354 1.00 0.00 C ATOM 199 C LEU A 728 -14.081 -4.902 -4.342 1.00 0.00 C ATOM 200 O LEU A 728 -13.369 -4.177 -5.012 1.00 0.00 O ATOM 201 CB LEU A 728 -14.678 -4.696 -1.937 1.00 0.00 C ATOM 202 CG LEU A 728 -15.378 -3.852 -0.904 1.00 0.00 C ATOM 203 CD1 LEU A 728 -15.085 -4.352 0.491 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.974 -2.415 -1.096 1.00 0.00 C ATOM 0 H LEU A 728 -16.745 -5.451 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.025 -3.236 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.920 -5.745 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.600 -4.594 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.458 -3.926 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.602 -3.726 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.430 -5.381 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -14.011 -4.310 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -15.475 -1.794 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.894 -2.322 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -15.260 -2.087 -2.095 1.00 0.00 H new ATOM 216 N TYR A 729 -14.076 -6.213 -4.460 1.00 0.00 N ATOM 217 CA TYR A 729 -13.188 -6.866 -5.392 1.00 0.00 C ATOM 218 C TYR A 729 -13.041 -6.036 -6.645 1.00 0.00 C ATOM 219 O TYR A 729 -11.958 -5.541 -6.927 1.00 0.00 O ATOM 220 CB TYR A 729 -13.750 -8.242 -5.738 1.00 0.00 C ATOM 221 CG TYR A 729 -13.485 -8.700 -7.144 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.199 -8.855 -7.555 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.507 -8.994 -8.039 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.884 -9.284 -8.816 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.217 -9.428 -9.322 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.897 -9.572 -9.706 1.00 0.00 C ATOM 227 OH TYR A 729 -12.594 -10.004 -10.977 1.00 0.00 O ATOM 0 H TYR A 729 -14.674 -6.843 -3.925 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.204 -6.977 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.330 -8.974 -5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.827 -8.230 -5.573 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.399 -8.632 -6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.536 -8.883 -7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.851 -9.396 -9.111 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -15.014 -9.652 -10.015 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.423 -10.163 -11.475 1.00 0.00 H new ATOM 237 N SER A 730 -14.122 -5.812 -7.362 1.00 0.00 N ATOM 238 CA SER A 730 -14.002 -5.044 -8.573 1.00 0.00 C ATOM 239 C SER A 730 -14.061 -3.543 -8.344 1.00 0.00 C ATOM 240 O SER A 730 -13.658 -2.771 -9.217 1.00 0.00 O ATOM 241 CB SER A 730 -14.916 -5.527 -9.671 1.00 0.00 C ATOM 242 OG SER A 730 -15.495 -4.446 -10.383 1.00 0.00 O ATOM 0 H SER A 730 -15.061 -6.139 -7.135 1.00 0.00 H new ATOM 0 HA SER A 730 -12.992 -5.230 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.355 -6.158 -10.360 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.705 -6.145 -9.243 1.00 0.00 H new ATOM 0 HG SER A 730 -16.080 -4.794 -11.088 1.00 0.00 H new ATOM 248 N THR A 731 -14.564 -3.109 -7.190 1.00 0.00 N ATOM 249 CA THR A 731 -14.567 -1.681 -6.901 1.00 0.00 C ATOM 250 C THR A 731 -13.128 -1.303 -6.865 1.00 0.00 C ATOM 251 O THR A 731 -12.628 -0.520 -7.668 1.00 0.00 O ATOM 252 CB THR A 731 -15.200 -1.342 -5.535 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.622 -1.220 -5.672 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.634 -0.046 -4.959 1.00 0.00 C ATOM 0 H THR A 731 -14.962 -3.704 -6.463 1.00 0.00 H new ATOM 0 HA THR A 731 -15.155 -1.148 -7.649 1.00 0.00 H new ATOM 0 HB THR A 731 -14.960 -2.154 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 731 -17.046 -2.078 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 731 -15.103 0.160 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.557 -0.148 -4.823 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.837 0.776 -5.645 1.00 0.00 H new ATOM 262 N LEU A 732 -12.486 -1.949 -5.927 1.00 0.00 N ATOM 263 CA LEU A 732 -11.085 -1.836 -5.701 1.00 0.00 C ATOM 264 C LEU A 732 -10.329 -2.197 -6.974 1.00 0.00 C ATOM 265 O LEU A 732 -9.260 -1.663 -7.239 1.00 0.00 O ATOM 266 CB LEU A 732 -10.702 -2.793 -4.596 1.00 0.00 C ATOM 267 CG LEU A 732 -11.617 -2.869 -3.373 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.436 -4.207 -2.722 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.294 -1.776 -2.392 1.00 0.00 C ATOM 0 H LEU A 732 -12.949 -2.589 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.833 -0.814 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.634 -3.792 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.703 -2.525 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.652 -2.740 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.083 -4.276 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.697 -4.994 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.397 -4.325 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.958 -1.852 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.260 -1.877 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.429 -0.806 -2.870 1.00 0.00 H new ATOM 281 N LYS A 733 -10.893 -3.121 -7.759 1.00 0.00 N ATOM 282 CA LYS A 733 -10.264 -3.535 -9.011 1.00 0.00 C ATOM 283 C LYS A 733 -10.030 -2.311 -9.864 1.00 0.00 C ATOM 284 O LYS A 733 -9.105 -2.261 -10.662 1.00 0.00 O ATOM 285 CB LYS A 733 -11.137 -4.549 -9.756 1.00 0.00 C ATOM 286 CG LYS A 733 -10.571 -5.034 -11.077 1.00 0.00 C ATOM 287 CD LYS A 733 -10.926 -6.491 -11.335 1.00 0.00 C ATOM 288 CE LYS A 733 -12.356 -6.653 -11.807 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.794 -5.526 -12.676 1.00 0.00 N ATOM 0 H LYS A 733 -11.774 -3.590 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.313 -4.021 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.299 -5.411 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.113 -4.100 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -10.956 -4.416 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.487 -4.918 -11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.249 -6.902 -12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.779 -7.067 -10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -12.452 -7.590 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -13.016 -6.721 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.647 -5.804 -13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -13.005 -4.695 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -12.036 -5.290 -13.347 1.00 0.00 H new ATOM 303 N SER A 734 -10.867 -1.311 -9.643 1.00 0.00 N ATOM 304 CA SER A 734 -10.779 -0.056 -10.378 1.00 0.00 C ATOM 305 C SER A 734 -9.811 0.872 -9.676 1.00 0.00 C ATOM 306 O SER A 734 -8.916 1.428 -10.314 1.00 0.00 O ATOM 307 CB SER A 734 -12.154 0.601 -10.506 1.00 0.00 C ATOM 308 OG SER A 734 -12.079 1.797 -11.261 1.00 0.00 O ATOM 0 H SER A 734 -11.621 -1.343 -8.956 1.00 0.00 H new ATOM 0 HA SER A 734 -10.415 -0.262 -11.384 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.848 -0.091 -10.983 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.551 0.818 -9.514 1.00 0.00 H new ATOM 0 HG SER A 734 -12.971 2.197 -11.330 1.00 0.00 H new ATOM 314 N ILE A 735 -9.991 1.059 -8.362 1.00 0.00 N ATOM 315 CA ILE A 735 -9.070 1.894 -7.622 1.00 0.00 C ATOM 316 C ILE A 735 -7.675 1.413 -7.940 1.00 0.00 C ATOM 317 O ILE A 735 -6.902 2.124 -8.560 1.00 0.00 O ATOM 318 CB ILE A 735 -9.321 1.873 -6.102 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.712 2.419 -5.838 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.286 2.744 -5.384 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.783 1.387 -5.867 1.00 0.00 C ATOM 0 H ILE A 735 -10.747 0.651 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.212 2.932 -7.924 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.237 0.852 -5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.720 2.909 -4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.938 3.183 -6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.473 2.721 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.286 2.361 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.361 3.770 -5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.746 1.857 -5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.805 0.913 -6.848 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.583 0.634 -5.105 1.00 0.00 H new ATOM 333 N LEU A 736 -7.397 0.169 -7.573 1.00 0.00 N ATOM 334 CA LEU A 736 -6.114 -0.452 -7.859 1.00 0.00 C ATOM 335 C LEU A 736 -5.686 -0.137 -9.272 1.00 0.00 C ATOM 336 O LEU A 736 -4.642 0.453 -9.501 1.00 0.00 O ATOM 337 CB LEU A 736 -6.217 -1.966 -7.715 1.00 0.00 C ATOM 338 CG LEU A 736 -5.173 -2.590 -6.820 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.412 -4.060 -6.785 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.778 -2.242 -7.271 1.00 0.00 C ATOM 0 H LEU A 736 -8.051 -0.433 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.383 -0.060 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.204 -2.213 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.143 -2.417 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.259 -2.191 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.669 -4.534 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.409 -4.257 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.333 -4.466 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.053 -2.708 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.623 -2.606 -8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.648 -1.160 -7.249 1.00 0.00 H new ATOM 352 N GLN A 737 -6.516 -0.550 -10.211 1.00 0.00 N ATOM 353 CA GLN A 737 -6.269 -0.323 -11.628 1.00 0.00 C ATOM 354 C GLN A 737 -5.791 1.102 -11.884 1.00 0.00 C ATOM 355 O GLN A 737 -4.962 1.352 -12.759 1.00 0.00 O ATOM 356 CB GLN A 737 -7.560 -0.598 -12.408 1.00 0.00 C ATOM 357 CG GLN A 737 -7.631 -1.983 -13.016 1.00 0.00 C ATOM 358 CD GLN A 737 -8.810 -2.155 -13.954 1.00 0.00 C ATOM 359 OE1 GLN A 737 -9.851 -1.520 -13.783 1.00 0.00 O ATOM 360 NE2 GLN A 737 -8.652 -3.016 -14.951 1.00 0.00 N ATOM 0 H GLN A 737 -7.382 -1.053 -10.016 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.482 -0.999 -11.962 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.411 -0.462 -11.741 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.656 0.142 -13.203 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.708 -2.183 -13.560 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -7.697 -2.722 -12.218 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -7.772 -3.521 -15.054 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -9.411 -3.173 -15.614 1.00 0.00 H new ATOM 369 N GLN A 738 -6.294 2.019 -11.081 1.00 0.00 N ATOM 370 CA GLN A 738 -5.971 3.433 -11.206 1.00 0.00 C ATOM 371 C GLN A 738 -4.681 3.806 -10.474 1.00 0.00 C ATOM 372 O GLN A 738 -3.744 4.327 -11.079 1.00 0.00 O ATOM 373 CB GLN A 738 -7.142 4.251 -10.666 1.00 0.00 C ATOM 374 CG GLN A 738 -8.364 4.182 -11.562 1.00 0.00 C ATOM 375 CD GLN A 738 -9.625 4.694 -10.892 1.00 0.00 C ATOM 376 OE1 GLN A 738 -9.735 4.476 -9.586 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -10.497 5.268 -11.543 1.00 0.00 N flip ATOM 0 H GLN A 738 -6.940 1.807 -10.321 1.00 0.00 H new ATOM 0 HA GLN A 738 -5.804 3.653 -12.260 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.404 3.890 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.834 5.291 -10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.178 4.764 -12.465 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.520 3.149 -11.875 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -10.372 5.415 -12.545 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -11.345 5.597 -11.081 1.00 0.00 H new ATOM 386 N VAL A 739 -4.644 3.541 -9.172 1.00 0.00 N ATOM 387 CA VAL A 739 -3.493 3.841 -8.346 1.00 0.00 C ATOM 388 C VAL A 739 -2.270 3.165 -8.919 1.00 0.00 C ATOM 389 O VAL A 739 -1.158 3.657 -8.804 1.00 0.00 O ATOM 390 CB VAL A 739 -3.697 3.326 -6.897 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.145 3.023 -6.588 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.831 2.119 -6.650 1.00 0.00 C ATOM 0 H VAL A 739 -5.417 3.111 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.365 4.923 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.396 4.127 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.231 2.666 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.740 3.928 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.510 2.256 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.982 1.766 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.099 1.329 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.784 2.388 -6.790 1.00 0.00 H new ATOM 402 N LYS A 740 -2.511 2.018 -9.520 1.00 0.00 N ATOM 403 CA LYS A 740 -1.468 1.210 -10.103 1.00 0.00 C ATOM 404 C LYS A 740 -1.083 1.748 -11.460 1.00 0.00 C ATOM 405 O LYS A 740 0.084 1.705 -11.845 1.00 0.00 O ATOM 406 CB LYS A 740 -1.947 -0.231 -10.197 1.00 0.00 C ATOM 407 CG LYS A 740 -1.090 -1.120 -11.065 1.00 0.00 C ATOM 408 CD LYS A 740 -1.871 -1.612 -12.271 1.00 0.00 C ATOM 409 CE LYS A 740 -2.597 -2.913 -11.966 1.00 0.00 C ATOM 410 NZ LYS A 740 -3.830 -2.687 -11.163 1.00 0.00 N ATOM 0 H LYS A 740 -3.445 1.620 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.580 1.245 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -1.986 -0.654 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -2.965 -0.237 -10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -0.208 -0.571 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -0.736 -1.971 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -2.592 -0.853 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -1.192 -1.760 -13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -2.858 -3.410 -12.900 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -1.929 -3.583 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -3.749 -3.186 -10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -3.949 -1.669 -10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -4.655 -3.048 -11.684 1.00 0.00 H new ATOM 424 N SER A 741 -2.064 2.242 -12.196 1.00 0.00 N ATOM 425 CA SER A 741 -1.781 2.813 -13.491 1.00 0.00 C ATOM 426 C SER A 741 -1.167 4.196 -13.307 1.00 0.00 C ATOM 427 O SER A 741 -0.668 4.808 -14.251 1.00 0.00 O ATOM 428 CB SER A 741 -3.049 2.916 -14.328 1.00 0.00 C ATOM 429 OG SER A 741 -2.747 3.106 -15.699 1.00 0.00 O ATOM 0 H SER A 741 -3.046 2.257 -11.921 1.00 0.00 H new ATOM 0 HA SER A 741 -1.080 2.164 -14.016 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.642 2.010 -14.206 1.00 0.00 H new ATOM 0 HB3 SER A 741 -3.658 3.746 -13.969 1.00 0.00 H new ATOM 0 HG SER A 741 -2.002 3.737 -15.786 1.00 0.00 H new ATOM 435 N HIS A 742 -1.222 4.670 -12.063 1.00 0.00 N ATOM 436 CA HIS A 742 -0.695 5.977 -11.693 1.00 0.00 C ATOM 437 C HIS A 742 0.772 6.126 -12.110 1.00 0.00 C ATOM 438 O HIS A 742 1.551 5.180 -12.041 1.00 0.00 O ATOM 439 CB HIS A 742 -0.859 6.178 -10.175 1.00 0.00 C ATOM 440 CG HIS A 742 -0.487 7.546 -9.689 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.476 8.336 -10.276 1.00 0.00 N ATOM 442 CD2 HIS A 742 -0.976 8.267 -8.662 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.561 9.480 -9.633 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.311 9.466 -8.648 1.00 0.00 N ATOM 0 H HIS A 742 -1.634 4.156 -11.285 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.257 6.747 -12.222 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.896 5.979 -9.904 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.246 5.442 -9.655 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.750 7.958 -7.975 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.232 10.292 -9.873 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.467 10.223 -7.983 1.00 0.00 H new ATOM 453 N GLN A 743 1.126 7.328 -12.559 1.00 0.00 N ATOM 454 CA GLN A 743 2.485 7.645 -12.989 1.00 0.00 C ATOM 455 C GLN A 743 3.492 7.525 -11.839 1.00 0.00 C ATOM 456 O GLN A 743 4.700 7.615 -12.047 1.00 0.00 O ATOM 457 CB GLN A 743 2.507 9.058 -13.553 1.00 0.00 C ATOM 458 CG GLN A 743 3.823 9.410 -14.198 1.00 0.00 C ATOM 459 CD GLN A 743 3.965 10.892 -14.488 1.00 0.00 C ATOM 460 OE1 GLN A 743 2.979 11.585 -14.737 1.00 0.00 O ATOM 461 NE2 GLN A 743 5.197 11.386 -14.456 1.00 0.00 N ATOM 0 H GLN A 743 0.477 8.111 -12.635 1.00 0.00 H new ATOM 0 HA GLN A 743 2.779 6.926 -13.754 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.708 9.164 -14.287 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.299 9.767 -12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.637 9.094 -13.546 1.00 0.00 H new ATOM 0 HG3 GLN A 743 3.926 8.852 -15.129 1.00 0.00 H new ATOM 0 HE21 GLN A 743 5.986 10.775 -14.245 1.00 0.00 H new ATOM 0 HE22 GLN A 743 5.354 12.376 -14.642 1.00 0.00 H new ATOM 470 N SER A 744 2.985 7.336 -10.631 1.00 0.00 N ATOM 471 CA SER A 744 3.826 7.187 -9.441 1.00 0.00 C ATOM 472 C SER A 744 3.748 5.771 -8.939 1.00 0.00 C ATOM 473 O SER A 744 4.254 5.434 -7.869 1.00 0.00 O ATOM 474 CB SER A 744 3.362 8.136 -8.331 1.00 0.00 C ATOM 475 OG SER A 744 3.982 9.406 -8.442 1.00 0.00 O ATOM 0 H SER A 744 1.984 7.281 -10.442 1.00 0.00 H new ATOM 0 HA SER A 744 4.853 7.431 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.279 8.253 -8.379 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.593 7.701 -7.359 1.00 0.00 H new ATOM 0 HG SER A 744 4.924 9.290 -8.687 1.00 0.00 H new ATOM 481 N ALA A 745 3.102 4.952 -9.727 1.00 0.00 N ATOM 482 CA ALA A 745 2.885 3.576 -9.376 1.00 0.00 C ATOM 483 C ALA A 745 3.827 2.604 -10.061 1.00 0.00 C ATOM 484 O ALA A 745 3.719 1.415 -9.833 1.00 0.00 O ATOM 485 CB ALA A 745 1.451 3.234 -9.725 1.00 0.00 C ATOM 0 H ALA A 745 2.712 5.222 -10.630 1.00 0.00 H new ATOM 0 HA ALA A 745 3.086 3.471 -8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.253 2.193 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.776 3.880 -9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.291 3.383 -10.793 1.00 0.00 H new ATOM 491 N TRP A 746 4.746 3.074 -10.887 1.00 0.00 N ATOM 492 CA TRP A 746 5.634 2.142 -11.575 1.00 0.00 C ATOM 493 C TRP A 746 6.585 1.391 -10.633 1.00 0.00 C ATOM 494 O TRP A 746 6.921 0.241 -10.919 1.00 0.00 O ATOM 495 CB TRP A 746 6.397 2.816 -12.706 1.00 0.00 C ATOM 496 CG TRP A 746 6.963 4.143 -12.351 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.365 5.355 -12.517 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.239 4.393 -11.768 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.209 6.353 -12.103 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.364 5.785 -11.632 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.293 3.572 -11.351 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.497 6.376 -11.102 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.418 4.163 -10.816 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.509 5.551 -10.699 1.00 0.00 C ATOM 0 H TRP A 746 4.898 4.061 -11.096 1.00 0.00 H new ATOM 0 HA TRP A 746 4.980 1.387 -12.011 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.208 2.161 -13.024 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.730 2.934 -13.560 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.373 5.508 -12.916 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.010 7.353 -12.139 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.227 2.498 -11.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 9.579 7.449 -11.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.239 3.545 -10.483 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.404 5.985 -10.278 1.00 0.00 H new ATOM 515 N PRO A 747 7.050 1.980 -9.502 1.00 0.00 N ATOM 516 CA PRO A 747 7.917 1.249 -8.592 1.00 0.00 C ATOM 517 C PRO A 747 7.112 0.200 -7.853 1.00 0.00 C ATOM 518 O PRO A 747 7.658 -0.729 -7.261 1.00 0.00 O ATOM 519 CB PRO A 747 8.444 2.305 -7.612 1.00 0.00 C ATOM 520 CG PRO A 747 7.819 3.603 -7.981 1.00 0.00 C ATOM 521 CD PRO A 747 6.760 3.339 -9.007 1.00 0.00 C ATOM 0 HA PRO A 747 8.727 0.734 -9.109 1.00 0.00 H new ATOM 0 HB2 PRO A 747 8.193 2.036 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.531 2.372 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.386 4.080 -7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.570 4.287 -8.377 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.763 3.397 -8.571 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.799 4.071 -9.814 1.00 0.00 H new ATOM 529 N PHE A 748 5.790 0.349 -7.927 1.00 0.00 N ATOM 530 CA PHE A 748 4.875 -0.544 -7.238 1.00 0.00 C ATOM 531 C PHE A 748 4.043 -1.347 -8.236 1.00 0.00 C ATOM 532 O PHE A 748 3.442 -2.356 -7.884 1.00 0.00 O ATOM 533 CB PHE A 748 3.969 0.264 -6.299 1.00 0.00 C ATOM 534 CG PHE A 748 4.600 1.514 -5.761 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.940 1.552 -5.489 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.856 2.654 -5.556 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.542 2.692 -5.021 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.463 3.805 -5.083 1.00 0.00 C ATOM 539 CZ PHE A 748 5.798 3.818 -4.821 1.00 0.00 C ATOM 0 H PHE A 748 5.332 1.086 -8.462 1.00 0.00 H new ATOM 0 HA PHE A 748 5.455 -1.251 -6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 748 3.057 0.532 -6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.674 -0.370 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.537 0.666 -5.646 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.796 2.651 -5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.601 2.698 -4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.874 4.696 -4.921 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.268 4.719 -4.455 1.00 0.00 H new ATOM 549 N MET A 749 4.025 -0.891 -9.492 1.00 0.00 N ATOM 550 CA MET A 749 3.240 -1.535 -10.547 1.00 0.00 C ATOM 551 C MET A 749 3.439 -3.024 -10.518 1.00 0.00 C ATOM 552 O MET A 749 2.525 -3.803 -10.778 1.00 0.00 O ATOM 553 CB MET A 749 3.616 -0.984 -11.911 1.00 0.00 C ATOM 554 CG MET A 749 2.676 0.108 -12.322 1.00 0.00 C ATOM 555 SD MET A 749 3.261 1.102 -13.691 1.00 0.00 S ATOM 556 CE MET A 749 2.562 2.642 -13.139 1.00 0.00 C ATOM 0 H MET A 749 4.549 -0.073 -9.803 1.00 0.00 H new ATOM 0 HA MET A 749 2.187 -1.319 -10.365 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.636 -0.601 -11.885 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.595 -1.785 -12.650 1.00 0.00 H new ATOM 0 HG2 MET A 749 1.718 -0.335 -12.593 1.00 0.00 H new ATOM 0 HG3 MET A 749 2.496 0.758 -11.466 1.00 0.00 H new ATOM 0 HE1 MET A 749 1.728 2.916 -13.786 1.00 0.00 H new ATOM 0 HE2 MET A 749 2.206 2.534 -12.114 1.00 0.00 H new ATOM 0 HE3 MET A 749 3.323 3.422 -13.178 1.00 0.00 H new ATOM 566 N GLU A 750 4.649 -3.392 -10.189 1.00 0.00 N ATOM 567 CA GLU A 750 5.037 -4.767 -10.091 1.00 0.00 C ATOM 568 C GLU A 750 6.031 -4.907 -8.954 1.00 0.00 C ATOM 569 O GLU A 750 6.655 -3.926 -8.551 1.00 0.00 O ATOM 570 CB GLU A 750 5.655 -5.228 -11.400 1.00 0.00 C ATOM 571 CG GLU A 750 4.641 -5.691 -12.432 1.00 0.00 C ATOM 572 CD GLU A 750 4.135 -4.556 -13.303 1.00 0.00 C ATOM 573 OE1 GLU A 750 4.963 -3.922 -13.990 1.00 0.00 O ATOM 574 OE2 GLU A 750 2.913 -4.299 -13.297 1.00 0.00 O ATOM 0 H GLU A 750 5.400 -2.734 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 750 4.165 -5.389 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 750 6.240 -4.411 -11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 750 6.348 -6.044 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 750 5.094 -6.455 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 750 3.797 -6.158 -11.923 1.00 0.00 H new ATOM 581 N PRO A 751 6.198 -6.113 -8.418 1.00 0.00 N ATOM 582 CA PRO A 751 7.117 -6.347 -7.317 1.00 0.00 C ATOM 583 C PRO A 751 8.547 -6.222 -7.773 1.00 0.00 C ATOM 584 O PRO A 751 8.937 -6.782 -8.798 1.00 0.00 O ATOM 585 CB PRO A 751 6.801 -7.773 -6.869 1.00 0.00 C ATOM 586 CG PRO A 751 5.520 -8.104 -7.546 1.00 0.00 C ATOM 587 CD PRO A 751 5.541 -7.347 -8.829 1.00 0.00 C ATOM 0 HA PRO A 751 7.001 -5.623 -6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 751 7.593 -8.464 -7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.704 -7.836 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 751 5.436 -9.176 -7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.666 -7.815 -6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 751 6.097 -7.870 -9.607 1.00 0.00 H new ATOM 0 HD3 PRO A 751 4.539 -7.170 -9.219 1.00 0.00 H new ATOM 595 N VAL A 752 9.322 -5.473 -7.011 1.00 0.00 N ATOM 596 CA VAL A 752 10.715 -5.262 -7.338 1.00 0.00 C ATOM 597 C VAL A 752 11.397 -6.611 -7.540 1.00 0.00 C ATOM 598 O VAL A 752 10.832 -7.658 -7.222 1.00 0.00 O ATOM 599 CB VAL A 752 11.433 -4.389 -6.272 1.00 0.00 C ATOM 600 CG1 VAL A 752 10.447 -3.806 -5.293 1.00 0.00 C ATOM 601 CG2 VAL A 752 12.550 -5.132 -5.557 1.00 0.00 C ATOM 0 H VAL A 752 9.008 -5.002 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 752 10.779 -4.702 -8.271 1.00 0.00 H new ATOM 0 HB VAL A 752 11.906 -3.567 -6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 752 10.978 -3.200 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 752 9.729 -3.183 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 752 9.919 -4.613 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 752 13.015 -4.472 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 752 12.140 -6.005 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 752 13.297 -5.452 -6.283 1.00 0.00 H new ATOM 611 N LYS A 753 12.611 -6.585 -8.049 1.00 0.00 N ATOM 612 CA LYS A 753 13.333 -7.818 -8.354 1.00 0.00 C ATOM 613 C LYS A 753 13.861 -8.485 -7.102 1.00 0.00 C ATOM 614 O LYS A 753 14.662 -9.418 -7.181 1.00 0.00 O ATOM 615 CB LYS A 753 14.502 -7.521 -9.285 1.00 0.00 C ATOM 616 CG LYS A 753 14.103 -6.823 -10.571 1.00 0.00 C ATOM 617 CD LYS A 753 13.658 -7.811 -11.641 1.00 0.00 C ATOM 618 CE LYS A 753 14.793 -8.729 -12.071 1.00 0.00 C ATOM 619 NZ LYS A 753 14.355 -9.711 -13.101 1.00 0.00 N ATOM 0 H LYS A 753 13.124 -5.729 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 753 12.628 -8.496 -8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 753 15.226 -6.901 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 753 15.004 -8.457 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 753 13.295 -6.121 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 753 14.945 -6.240 -10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 753 12.830 -8.410 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 753 13.285 -7.265 -12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 753 15.614 -8.130 -12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 753 15.177 -9.262 -11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 15.157 -10.317 -13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 13.589 -10.300 -12.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 14.012 -9.203 -13.941 1.00 0.00 H new ATOM 633 N ARG A 754 13.416 -8.003 -5.949 1.00 0.00 N ATOM 634 CA ARG A 754 13.888 -8.516 -4.674 1.00 0.00 C ATOM 635 C ARG A 754 15.368 -8.199 -4.533 1.00 0.00 C ATOM 636 O ARG A 754 15.953 -8.347 -3.460 1.00 0.00 O ATOM 637 CB ARG A 754 13.649 -10.024 -4.565 1.00 0.00 C ATOM 638 CG ARG A 754 13.529 -10.534 -3.138 1.00 0.00 C ATOM 639 CD ARG A 754 14.869 -10.982 -2.581 1.00 0.00 C ATOM 640 NE ARG A 754 14.711 -11.842 -1.411 1.00 0.00 N ATOM 641 CZ ARG A 754 15.663 -12.041 -0.504 1.00 0.00 C ATOM 642 NH1 ARG A 754 16.835 -11.430 -0.620 1.00 0.00 N ATOM 643 NH2 ARG A 754 15.441 -12.850 0.522 1.00 0.00 N ATOM 0 H ARG A 754 12.727 -7.255 -5.873 1.00 0.00 H new ATOM 0 HA ARG A 754 13.332 -8.038 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.738 -10.276 -5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 754 14.468 -10.547 -5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 754 13.118 -9.748 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 754 12.827 -11.367 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 754 15.423 -11.517 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 754 15.461 -10.107 -2.312 1.00 0.00 H new ATOM 0 HE ARG A 754 13.818 -12.318 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 754 17.009 -10.805 -1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 754 17.562 -11.585 0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 754 14.540 -13.320 0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 754 16.171 -13.003 1.218 1.00 0.00 H new ATOM 657 N THR A 755 15.965 -7.743 -5.635 1.00 0.00 N ATOM 658 CA THR A 755 17.367 -7.402 -5.656 1.00 0.00 C ATOM 659 C THR A 755 17.602 -6.109 -6.417 1.00 0.00 C ATOM 660 O THR A 755 18.664 -5.497 -6.280 1.00 0.00 O ATOM 661 CB THR A 755 18.229 -8.522 -6.243 1.00 0.00 C ATOM 662 OG1 THR A 755 18.041 -8.606 -7.661 1.00 0.00 O ATOM 663 CG2 THR A 755 17.877 -9.853 -5.597 1.00 0.00 C ATOM 0 H THR A 755 15.486 -7.605 -6.525 1.00 0.00 H new ATOM 0 HA THR A 755 17.669 -7.263 -4.618 1.00 0.00 H new ATOM 0 HB THR A 755 19.275 -8.294 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.600 -9.325 -8.023 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.498 -10.640 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 755 18.054 -9.794 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.827 -10.080 -5.780 1.00 0.00 H new ATOM 671 N GLU A 756 16.626 -5.689 -7.233 1.00 0.00 N ATOM 672 CA GLU A 756 16.749 -4.408 -7.906 1.00 0.00 C ATOM 673 C GLU A 756 16.892 -3.462 -6.758 1.00 0.00 C ATOM 674 O GLU A 756 17.527 -2.409 -6.816 1.00 0.00 O ATOM 675 CB GLU A 756 15.521 -4.076 -8.755 1.00 0.00 C ATOM 676 CG GLU A 756 14.499 -3.249 -8.047 1.00 0.00 C ATOM 677 CD GLU A 756 13.145 -3.259 -8.733 1.00 0.00 C ATOM 678 OE1 GLU A 756 12.846 -4.236 -9.448 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.386 -2.282 -8.560 1.00 0.00 O ATOM 0 H GLU A 756 15.770 -6.206 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 756 17.577 -4.375 -8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.844 -3.547 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 756 15.057 -5.006 -9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 756 14.386 -3.617 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 756 14.857 -2.222 -7.977 1.00 0.00 H new ATOM 686 N ALA A 757 16.287 -3.952 -5.685 1.00 0.00 N ATOM 687 CA ALA A 757 16.291 -3.338 -4.397 1.00 0.00 C ATOM 688 C ALA A 757 17.408 -3.889 -3.571 1.00 0.00 C ATOM 689 O ALA A 757 17.431 -5.071 -3.232 1.00 0.00 O ATOM 690 CB ALA A 757 15.031 -3.607 -3.696 1.00 0.00 C ATOM 0 H ALA A 757 15.762 -4.826 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 757 16.416 -2.264 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 757 15.051 -3.131 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 757 14.199 -3.207 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 757 14.905 -4.683 -3.575 1.00 0.00 H new ATOM 696 N PRO A 758 18.350 -3.039 -3.257 1.00 0.00 N ATOM 697 CA PRO A 758 19.489 -3.408 -2.439 1.00 0.00 C ATOM 698 C PRO A 758 19.067 -3.725 -1.003 1.00 0.00 C ATOM 699 O PRO A 758 19.288 -2.929 -0.091 1.00 0.00 O ATOM 700 CB PRO A 758 20.370 -2.158 -2.503 1.00 0.00 C ATOM 701 CG PRO A 758 19.423 -1.044 -2.829 1.00 0.00 C ATOM 702 CD PRO A 758 18.376 -1.640 -3.698 1.00 0.00 C ATOM 0 HA PRO A 758 19.995 -4.309 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.878 -1.982 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 758 21.143 -2.257 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 758 18.986 -0.625 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 758 19.938 -0.231 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.410 -1.154 -3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.629 -1.553 -4.755 1.00 0.00 H new ATOM 710 N GLY A 759 18.443 -4.892 -0.820 1.00 0.00 N ATOM 711 CA GLY A 759 17.986 -5.307 0.498 1.00 0.00 C ATOM 712 C GLY A 759 16.486 -5.125 0.688 1.00 0.00 C ATOM 713 O GLY A 759 16.015 -5.020 1.813 1.00 0.00 O ATOM 0 H GLY A 759 18.246 -5.559 -1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 759 18.243 -6.355 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.516 -4.733 1.258 1.00 0.00 H new ATOM 717 N TYR A 760 15.748 -5.113 -0.420 1.00 0.00 N ATOM 718 CA TYR A 760 14.289 -4.928 -0.420 1.00 0.00 C ATOM 719 C TYR A 760 13.574 -5.668 0.707 1.00 0.00 C ATOM 720 O TYR A 760 12.995 -5.047 1.590 1.00 0.00 O ATOM 721 CB TYR A 760 13.771 -5.403 -1.780 1.00 0.00 C ATOM 722 CG TYR A 760 12.302 -5.277 -2.048 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.588 -4.215 -1.564 1.00 0.00 C ATOM 724 CD2 TYR A 760 11.639 -6.209 -2.822 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.253 -4.075 -1.836 1.00 0.00 C ATOM 726 CE2 TYR A 760 10.295 -6.079 -3.101 1.00 0.00 C ATOM 727 CZ TYR A 760 9.607 -5.007 -2.605 1.00 0.00 C ATOM 728 OH TYR A 760 8.267 -4.862 -2.883 1.00 0.00 O ATOM 0 H TYR A 760 16.144 -5.232 -1.353 1.00 0.00 H new ATOM 0 HA TYR A 760 14.077 -3.873 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 760 14.302 -4.848 -2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 760 14.044 -6.452 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 760 12.086 -3.474 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 760 12.183 -7.055 -3.216 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.709 -3.229 -1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 760 9.790 -6.818 -3.706 1.00 0.00 H new ATOM 0 HH TYR A 760 7.862 -4.252 -2.232 1.00 0.00 H new ATOM 738 N TYR A 761 13.619 -6.984 0.674 1.00 0.00 N ATOM 739 CA TYR A 761 12.945 -7.800 1.679 1.00 0.00 C ATOM 740 C TYR A 761 13.535 -7.630 3.073 1.00 0.00 C ATOM 741 O TYR A 761 12.912 -7.999 4.069 1.00 0.00 O ATOM 742 CB TYR A 761 12.947 -9.261 1.251 1.00 0.00 C ATOM 743 CG TYR A 761 11.824 -9.568 0.293 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.503 -8.655 -0.689 1.00 0.00 C ATOM 745 CD2 TYR A 761 11.069 -10.730 0.384 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.469 -8.873 -1.566 1.00 0.00 C ATOM 747 CE2 TYR A 761 10.027 -10.968 -0.497 1.00 0.00 C ATOM 748 CZ TYR A 761 9.729 -10.033 -1.471 1.00 0.00 C ATOM 749 OH TYR A 761 8.692 -10.261 -2.347 1.00 0.00 O ATOM 0 H TYR A 761 14.116 -7.519 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 761 11.915 -7.450 1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 761 13.901 -9.500 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 761 12.857 -9.897 2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.079 -7.745 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.297 -11.456 1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.237 -8.141 -2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.451 -11.878 -0.424 1.00 0.00 H new ATOM 0 HH TYR A 761 8.276 -11.124 -2.143 1.00 0.00 H new ATOM 759 N GLU A 762 14.730 -7.075 3.139 1.00 0.00 N ATOM 760 CA GLU A 762 15.402 -6.857 4.415 1.00 0.00 C ATOM 761 C GLU A 762 14.742 -5.706 5.171 1.00 0.00 C ATOM 762 O GLU A 762 14.482 -5.786 6.371 1.00 0.00 O ATOM 763 CB GLU A 762 16.883 -6.552 4.170 1.00 0.00 C ATOM 764 CG GLU A 762 17.305 -5.164 4.619 1.00 0.00 C ATOM 765 CD GLU A 762 18.805 -5.039 4.789 1.00 0.00 C ATOM 766 OE1 GLU A 762 19.534 -5.281 3.806 1.00 0.00 O ATOM 767 OE2 GLU A 762 19.249 -4.710 5.909 1.00 0.00 O ATOM 0 H GLU A 762 15.260 -6.765 2.325 1.00 0.00 H new ATOM 0 HA GLU A 762 15.319 -7.759 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 762 17.488 -7.293 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 762 17.096 -6.660 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.963 -4.430 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.815 -4.927 5.563 1.00 0.00 H new ATOM 774 N VAL A 763 14.481 -4.641 4.431 1.00 0.00 N ATOM 775 CA VAL A 763 13.862 -3.437 4.948 1.00 0.00 C ATOM 776 C VAL A 763 12.383 -3.613 4.954 1.00 0.00 C ATOM 777 O VAL A 763 11.701 -3.430 5.963 1.00 0.00 O ATOM 778 CB VAL A 763 14.215 -2.216 4.054 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.728 -2.640 2.708 1.00 0.00 C ATOM 780 CG2 VAL A 763 13.033 -1.336 3.773 1.00 0.00 C ATOM 0 H VAL A 763 14.698 -4.591 3.436 1.00 0.00 H new ATOM 0 HA VAL A 763 14.231 -3.259 5.958 1.00 0.00 H new ATOM 0 HB VAL A 763 14.971 -1.676 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 763 14.963 -1.757 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.628 -3.242 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 763 13.966 -3.229 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.342 -0.501 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.264 -1.912 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.632 -0.954 4.712 1.00 0.00 H new ATOM 790 N ILE A 764 11.911 -3.977 3.801 1.00 0.00 N ATOM 791 CA ILE A 764 10.525 -4.151 3.587 1.00 0.00 C ATOM 792 C ILE A 764 10.002 -5.454 4.153 1.00 0.00 C ATOM 793 O ILE A 764 10.015 -6.487 3.485 1.00 0.00 O ATOM 794 CB ILE A 764 10.216 -4.090 2.125 1.00 0.00 C ATOM 795 CG1 ILE A 764 10.903 -2.881 1.503 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.731 -3.987 1.977 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.115 -1.598 1.622 1.00 0.00 C ATOM 0 H ILE A 764 12.490 -4.161 2.981 1.00 0.00 H new ATOM 0 HA ILE A 764 10.025 -3.338 4.114 1.00 0.00 H new ATOM 0 HB ILE A 764 10.580 -4.982 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 764 11.875 -2.744 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.089 -3.084 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.473 -3.941 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.259 -4.860 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.377 -3.085 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.671 -0.785 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.153 -1.714 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 764 9.951 -1.368 2.675 1.00 0.00 H new ATOM 809 N ARG A 765 9.561 -5.399 5.392 1.00 0.00 N ATOM 810 CA ARG A 765 8.996 -6.563 6.048 1.00 0.00 C ATOM 811 C ARG A 765 7.818 -7.110 5.244 1.00 0.00 C ATOM 812 O ARG A 765 7.667 -8.323 5.093 1.00 0.00 O ATOM 813 CB ARG A 765 8.537 -6.187 7.444 1.00 0.00 C ATOM 814 CG ARG A 765 8.736 -7.270 8.487 1.00 0.00 C ATOM 815 CD ARG A 765 8.111 -8.584 8.064 1.00 0.00 C ATOM 816 NE ARG A 765 9.084 -9.478 7.440 1.00 0.00 N ATOM 817 CZ ARG A 765 8.899 -10.788 7.297 1.00 0.00 C ATOM 818 NH1 ARG A 765 7.782 -11.354 7.735 1.00 0.00 N ATOM 819 NH2 ARG A 765 9.830 -11.532 6.719 1.00 0.00 N ATOM 0 H ARG A 765 9.582 -4.558 5.969 1.00 0.00 H new ATOM 0 HA ARG A 765 9.761 -7.337 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 765 9.074 -5.293 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.479 -5.927 7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 765 9.802 -7.415 8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 765 8.299 -6.948 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 765 7.674 -9.074 8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 765 7.297 -8.390 7.365 1.00 0.00 H new ATOM 0 HE ARG A 765 9.955 -9.075 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 765 7.063 -10.785 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 765 7.642 -12.358 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 765 10.691 -11.101 6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 765 9.686 -12.536 6.611 1.00 0.00 H new ATOM 833 N PHE A 766 6.987 -6.206 4.723 1.00 0.00 N ATOM 834 CA PHE A 766 5.811 -6.609 3.944 1.00 0.00 C ATOM 835 C PHE A 766 5.759 -5.927 2.571 1.00 0.00 C ATOM 836 O PHE A 766 4.951 -5.023 2.352 1.00 0.00 O ATOM 837 CB PHE A 766 4.528 -6.291 4.716 1.00 0.00 C ATOM 838 CG PHE A 766 4.762 -5.824 6.120 1.00 0.00 C ATOM 839 CD1 PHE A 766 5.135 -6.723 7.097 1.00 0.00 C ATOM 840 CD2 PHE A 766 4.605 -4.492 6.462 1.00 0.00 C ATOM 841 CE1 PHE A 766 5.350 -6.308 8.394 1.00 0.00 C ATOM 842 CE2 PHE A 766 4.819 -4.066 7.758 1.00 0.00 C ATOM 843 CZ PHE A 766 5.193 -4.975 8.727 1.00 0.00 C ATOM 0 H PHE A 766 7.103 -5.198 4.824 1.00 0.00 H new ATOM 0 HA PHE A 766 5.893 -7.684 3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 766 3.972 -5.524 4.177 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.900 -7.182 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.260 -7.765 6.843 1.00 0.00 H new ATOM 0 HD2 PHE A 766 4.312 -3.778 5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.641 -7.023 9.149 1.00 0.00 H new ATOM 0 HE2 PHE A 766 4.694 -3.024 8.013 1.00 0.00 H new ATOM 0 HZ PHE A 766 5.362 -4.646 9.742 1.00 0.00 H new ATOM 853 N PRO A 767 6.621 -6.346 1.628 1.00 0.00 N ATOM 854 CA PRO A 767 6.660 -5.771 0.286 1.00 0.00 C ATOM 855 C PRO A 767 5.433 -6.064 -0.563 1.00 0.00 C ATOM 856 O PRO A 767 5.358 -7.089 -1.243 1.00 0.00 O ATOM 857 CB PRO A 767 7.919 -6.364 -0.347 1.00 0.00 C ATOM 858 CG PRO A 767 8.658 -7.021 0.743 1.00 0.00 C ATOM 859 CD PRO A 767 7.669 -7.349 1.820 1.00 0.00 C ATOM 0 HA PRO A 767 6.671 -4.683 0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.662 -7.079 -1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.524 -5.586 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.148 -7.926 0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.440 -6.365 1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.281 -8.362 1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.116 -7.280 2.812 1.00 0.00 H new ATOM 867 N MET A 768 4.471 -5.148 -0.513 1.00 0.00 N ATOM 868 CA MET A 768 3.260 -5.260 -1.309 1.00 0.00 C ATOM 869 C MET A 768 3.338 -4.289 -2.464 1.00 0.00 C ATOM 870 O MET A 768 3.888 -3.197 -2.336 1.00 0.00 O ATOM 871 CB MET A 768 2.006 -5.018 -0.468 1.00 0.00 C ATOM 872 CG MET A 768 0.777 -4.592 -1.274 1.00 0.00 C ATOM 873 SD MET A 768 0.037 -5.913 -2.241 1.00 0.00 S ATOM 874 CE MET A 768 -0.125 -7.107 -0.945 1.00 0.00 C ATOM 0 H MET A 768 4.510 -4.316 0.075 1.00 0.00 H new ATOM 0 HA MET A 768 3.185 -6.277 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 768 1.768 -5.930 0.079 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.223 -4.249 0.274 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.028 -4.194 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 768 1.059 -3.780 -1.944 1.00 0.00 H new ATOM 0 HE1 MET A 768 -0.995 -7.735 -1.136 1.00 0.00 H new ATOM 0 HE2 MET A 768 0.770 -7.728 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 768 -0.250 -6.594 0.009 1.00 0.00 H new ATOM 884 N ASP A 769 2.810 -4.708 -3.591 1.00 0.00 N ATOM 885 CA ASP A 769 2.827 -3.900 -4.784 1.00 0.00 C ATOM 886 C ASP A 769 1.438 -3.807 -5.380 1.00 0.00 C ATOM 887 O ASP A 769 0.495 -4.379 -4.850 1.00 0.00 O ATOM 888 CB ASP A 769 3.789 -4.513 -5.794 1.00 0.00 C ATOM 889 CG ASP A 769 5.240 -4.228 -5.461 1.00 0.00 C ATOM 890 OD1 ASP A 769 5.820 -4.978 -4.648 1.00 0.00 O ATOM 891 OD2 ASP A 769 5.795 -3.255 -6.010 1.00 0.00 O ATOM 0 H ASP A 769 2.359 -5.616 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 769 3.159 -2.894 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.633 -5.591 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 769 3.564 -4.124 -6.787 1.00 0.00 H new ATOM 896 N LEU A 770 1.311 -3.052 -6.457 1.00 0.00 N ATOM 897 CA LEU A 770 0.036 -2.925 -7.139 1.00 0.00 C ATOM 898 C LEU A 770 -0.259 -4.187 -7.920 1.00 0.00 C ATOM 899 O LEU A 770 -1.413 -4.494 -8.204 1.00 0.00 O ATOM 900 CB LEU A 770 0.023 -1.699 -8.037 1.00 0.00 C ATOM 901 CG LEU A 770 0.724 -0.513 -7.441 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.444 0.224 -8.515 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.265 0.390 -6.772 1.00 0.00 C ATOM 0 H LEU A 770 2.073 -2.519 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.751 -2.791 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.494 -1.950 -8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.010 -1.429 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 770 1.440 -0.856 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.954 1.086 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.176 -0.436 -8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.730 0.562 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.256 1.246 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -0.994 0.738 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.778 -0.156 -5.980 1.00 0.00 H new ATOM 915 N LYS A 771 0.794 -4.899 -8.301 1.00 0.00 N ATOM 916 CA LYS A 771 0.624 -6.169 -8.980 1.00 0.00 C ATOM 917 C LYS A 771 0.230 -7.216 -7.958 1.00 0.00 C ATOM 918 O LYS A 771 -0.575 -8.099 -8.240 1.00 0.00 O ATOM 919 CB LYS A 771 1.870 -6.585 -9.716 1.00 0.00 C ATOM 920 CG LYS A 771 1.538 -7.136 -11.082 1.00 0.00 C ATOM 921 CD LYS A 771 0.835 -6.101 -11.942 1.00 0.00 C ATOM 922 CE LYS A 771 0.687 -6.577 -13.374 1.00 0.00 C ATOM 923 NZ LYS A 771 -0.049 -7.869 -13.459 1.00 0.00 N ATOM 0 H LYS A 771 1.763 -4.619 -8.152 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.161 -6.064 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.538 -5.730 -9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.403 -7.339 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 771 2.453 -7.461 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.903 -8.015 -10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -0.149 -5.887 -11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 771 1.398 -5.168 -11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.160 -5.820 -13.955 1.00 0.00 H new ATOM 0 HE3 LYS A 771 1.674 -6.692 -13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -0.262 -8.082 -14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 0.537 -8.629 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -0.937 -7.799 -12.923 1.00 0.00 H new ATOM 937 N THR A 772 0.820 -7.113 -6.765 1.00 0.00 N ATOM 938 CA THR A 772 0.478 -8.007 -5.673 1.00 0.00 C ATOM 939 C THR A 772 -0.924 -7.644 -5.212 1.00 0.00 C ATOM 940 O THR A 772 -1.741 -8.508 -4.900 1.00 0.00 O ATOM 941 CB THR A 772 1.460 -7.900 -4.496 1.00 0.00 C ATOM 942 OG1 THR A 772 2.789 -8.209 -4.934 1.00 0.00 O ATOM 943 CG2 THR A 772 1.050 -8.850 -3.385 1.00 0.00 C ATOM 0 H THR A 772 1.533 -6.420 -6.538 1.00 0.00 H new ATOM 0 HA THR A 772 0.531 -9.037 -6.027 1.00 0.00 H new ATOM 0 HB THR A 772 1.440 -6.879 -4.115 1.00 0.00 H new ATOM 0 HG1 THR A 772 3.408 -8.136 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 772 1.753 -8.766 -2.556 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.049 -8.594 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 772 1.054 -9.873 -3.761 1.00 0.00 H new ATOM 951 N MET A 773 -1.177 -6.333 -5.162 1.00 0.00 N ATOM 952 CA MET A 773 -2.497 -5.813 -4.834 1.00 0.00 C ATOM 953 C MET A 773 -3.479 -6.435 -5.818 1.00 0.00 C ATOM 954 O MET A 773 -4.379 -7.167 -5.439 1.00 0.00 O ATOM 955 CB MET A 773 -2.515 -4.287 -4.970 1.00 0.00 C ATOM 956 CG MET A 773 -2.207 -3.547 -3.685 1.00 0.00 C ATOM 957 SD MET A 773 -3.390 -3.906 -2.396 1.00 0.00 S ATOM 958 CE MET A 773 -4.843 -3.140 -3.083 1.00 0.00 C ATOM 0 H MET A 773 -0.478 -5.614 -5.346 1.00 0.00 H new ATOM 0 HA MET A 773 -2.764 -6.060 -3.807 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.790 -3.992 -5.729 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.496 -3.977 -5.329 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.208 -3.817 -3.343 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.199 -2.474 -3.879 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.660 -3.861 -3.102 1.00 0.00 H new ATOM 0 HE2 MET A 773 -5.128 -2.285 -2.470 1.00 0.00 H new ATOM 0 HE3 MET A 773 -4.632 -2.804 -4.098 1.00 0.00 H new ATOM 968 N SER A 774 -3.254 -6.160 -7.101 1.00 0.00 N ATOM 969 CA SER A 774 -4.092 -6.692 -8.174 1.00 0.00 C ATOM 970 C SER A 774 -4.097 -8.210 -8.173 1.00 0.00 C ATOM 971 O SER A 774 -5.032 -8.832 -8.658 1.00 0.00 O ATOM 972 CB SER A 774 -3.614 -6.183 -9.515 1.00 0.00 C ATOM 973 OG SER A 774 -2.385 -6.780 -9.890 1.00 0.00 O ATOM 0 H SER A 774 -2.491 -5.566 -7.425 1.00 0.00 H new ATOM 0 HA SER A 774 -5.111 -6.348 -7.999 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.368 -6.392 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.496 -5.100 -9.473 1.00 0.00 H new ATOM 0 HG SER A 774 -1.941 -7.142 -9.095 1.00 0.00 H new ATOM 979 N GLU A 775 -3.032 -8.798 -7.657 1.00 0.00 N ATOM 980 CA GLU A 775 -2.935 -10.245 -7.558 1.00 0.00 C ATOM 981 C GLU A 775 -4.019 -10.727 -6.623 1.00 0.00 C ATOM 982 O GLU A 775 -4.786 -11.648 -6.927 1.00 0.00 O ATOM 983 CB GLU A 775 -1.560 -10.617 -7.016 1.00 0.00 C ATOM 984 CG GLU A 775 -0.737 -11.461 -7.958 1.00 0.00 C ATOM 985 CD GLU A 775 0.338 -12.260 -7.245 1.00 0.00 C ATOM 986 OE1 GLU A 775 0.049 -13.399 -6.825 1.00 0.00 O ATOM 987 OE2 GLU A 775 1.467 -11.745 -7.107 1.00 0.00 O ATOM 0 H GLU A 775 -2.220 -8.295 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.062 -10.711 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.011 -9.703 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.685 -11.156 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.395 -12.144 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.270 -10.816 -8.703 1.00 0.00 H new ATOM 994 N ARG A 776 -4.082 -10.059 -5.489 1.00 0.00 N ATOM 995 CA ARG A 776 -5.072 -10.340 -4.482 1.00 0.00 C ATOM 996 C ARG A 776 -6.440 -10.055 -5.065 1.00 0.00 C ATOM 997 O ARG A 776 -7.352 -10.873 -5.019 1.00 0.00 O ATOM 998 CB ARG A 776 -4.793 -9.461 -3.277 1.00 0.00 C ATOM 999 CG ARG A 776 -3.640 -9.967 -2.427 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.971 -8.849 -1.645 1.00 0.00 C ATOM 1001 NE ARG A 776 -2.796 -9.196 -0.238 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.836 -10.001 0.211 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -0.969 -10.541 -0.636 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -1.743 -10.268 1.506 1.00 0.00 N ATOM 0 H ARG A 776 -3.443 -9.303 -5.244 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.037 -11.383 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.570 -8.449 -3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.691 -9.401 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.007 -10.724 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -2.903 -10.451 -3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.000 -8.628 -2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.571 -7.942 -1.723 1.00 0.00 H new ATOM 0 HE ARG A 776 -3.447 -8.799 0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -1.037 -10.339 -1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 776 -0.234 -11.158 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -2.408 -9.856 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 776 -1.006 -10.885 1.848 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.527 -8.885 -5.653 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.726 -8.392 -6.300 1.00 0.00 C ATOM 1020 C LEU A 777 -8.292 -9.415 -7.245 1.00 0.00 C ATOM 1021 O LEU A 777 -9.457 -9.790 -7.152 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.347 -7.128 -7.063 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.472 -6.243 -7.577 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.734 -6.997 -7.873 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.748 -5.161 -6.566 1.00 0.00 C ATOM 0 H LEU A 777 -5.746 -8.230 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.492 -8.182 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.715 -6.522 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.737 -7.423 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.140 -5.816 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.495 -6.305 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.537 -7.751 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.089 -7.483 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.554 -4.522 -6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.041 -5.614 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.849 -4.563 -6.419 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.458 -9.859 -8.153 1.00 0.00 N ATOM 1038 CA LYS A 778 -7.881 -10.810 -9.134 1.00 0.00 C ATOM 1039 C LYS A 778 -8.535 -12.007 -8.479 1.00 0.00 C ATOM 1040 O LYS A 778 -9.622 -12.425 -8.871 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.713 -11.278 -9.972 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.751 -10.730 -11.369 1.00 0.00 C ATOM 1043 CD LYS A 778 -6.156 -9.335 -11.448 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.642 -9.377 -11.565 1.00 0.00 C ATOM 1045 NZ LYS A 778 -4.202 -9.837 -12.911 1.00 0.00 N ATOM 0 H LYS A 778 -6.482 -9.573 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.607 -10.313 -9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.782 -10.976 -9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.712 -12.367 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.203 -11.396 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.782 -10.705 -11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.573 -8.809 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.437 -8.768 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -4.235 -8.385 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -4.237 -10.043 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -3.199 -9.600 -13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.327 -10.867 -12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.772 -9.366 -13.642 1.00 0.00 H new ATOM 1059 N ASN A 779 -7.857 -12.566 -7.481 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.394 -13.726 -6.780 1.00 0.00 C ATOM 1061 C ASN A 779 -9.555 -13.327 -5.867 1.00 0.00 C ATOM 1062 O ASN A 779 -10.133 -14.168 -5.178 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.303 -14.444 -5.980 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.156 -13.921 -4.567 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -6.133 -13.112 -4.347 1.00 0.00 O flip ATOM 1066 ND2 ASN A 779 -7.940 -14.259 -3.679 1.00 0.00 N flip ATOM 0 H ASN A 779 -6.951 -12.241 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 779 -8.773 -14.418 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.530 -15.510 -5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -6.351 -14.338 -6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -8.716 -14.885 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -7.814 -13.912 -2.728 1.00 0.00 H new ATOM 1073 N ARG A 780 -9.868 -12.030 -5.866 1.00 0.00 N ATOM 1074 CA ARG A 780 -10.966 -11.466 -5.071 1.00 0.00 C ATOM 1075 C ARG A 780 -10.598 -11.429 -3.596 1.00 0.00 C ATOM 1076 O ARG A 780 -11.468 -11.420 -2.723 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.257 -12.264 -5.241 1.00 0.00 C ATOM 1078 CG ARG A 780 -12.975 -12.022 -6.545 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.270 -12.705 -7.695 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.088 -13.751 -8.302 1.00 0.00 N ATOM 1081 CZ ARG A 780 -12.888 -14.225 -9.529 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -11.902 -13.749 -10.277 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -13.677 -15.178 -10.009 1.00 0.00 N ATOM 0 H ARG A 780 -9.366 -11.336 -6.419 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.132 -10.452 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.026 -13.326 -5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -12.931 -12.021 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -13.998 -12.390 -6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.034 -10.951 -6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.011 -11.964 -8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.335 -13.138 -7.340 1.00 0.00 H new ATOM 0 HE ARG A 780 -13.856 -14.140 -7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -11.293 -13.016 -9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -11.752 -14.115 -11.217 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.437 -15.547 -9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -13.524 -15.541 -10.950 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.305 -11.410 -3.334 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.785 -11.391 -1.980 1.00 0.00 C ATOM 1099 C TYR A 781 -9.400 -10.268 -1.161 1.00 0.00 C ATOM 1100 O TYR A 781 -9.718 -10.458 0.011 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.271 -11.226 -2.043 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.587 -10.872 -0.747 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.538 -9.560 -0.320 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -5.954 -11.841 0.020 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.881 -9.209 0.832 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.297 -11.503 1.187 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.259 -10.185 1.589 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.589 -9.843 2.742 1.00 0.00 O ATOM 0 H TYR A 781 -8.584 -11.407 -4.056 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.044 -12.329 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -6.840 -12.155 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.041 -10.452 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -7.027 -8.795 -0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -5.976 -12.872 -0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.850 -8.176 1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -4.816 -12.266 1.781 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.211 -10.649 3.152 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.568 -9.102 -1.781 1.00 0.00 N ATOM 1119 CA TYR A 782 -10.112 -7.948 -1.085 1.00 0.00 C ATOM 1120 C TYR A 782 -11.565 -8.122 -0.722 1.00 0.00 C ATOM 1121 O TYR A 782 -12.460 -7.578 -1.368 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.887 -6.684 -1.901 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.467 -6.552 -2.262 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.573 -6.147 -1.322 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -8.006 -6.890 -3.505 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.249 -6.079 -1.597 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.669 -6.802 -3.795 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.799 -6.399 -2.828 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.467 -6.343 -3.087 1.00 0.00 O ATOM 0 H TYR A 782 -9.335 -8.936 -2.760 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.574 -7.852 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.497 -6.713 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.206 -5.813 -1.329 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.925 -5.875 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.699 -7.228 -4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.553 -5.769 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.309 -7.050 -4.782 1.00 0.00 H new ATOM 0 HH TYR A 782 -4.066 -5.604 -2.583 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.780 -8.893 0.329 1.00 0.00 N ATOM 1140 CA VAL A 783 -13.105 -9.113 0.844 1.00 0.00 C ATOM 1141 C VAL A 783 -13.406 -8.000 1.810 1.00 0.00 C ATOM 1142 O VAL A 783 -14.361 -8.037 2.586 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.220 -10.466 1.543 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -13.126 -11.564 0.517 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -12.144 -10.604 2.594 1.00 0.00 C ATOM 0 H VAL A 783 -11.043 -9.377 0.841 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.821 -9.121 0.022 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.184 -10.540 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -13.208 -12.532 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -13.935 -11.457 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -12.168 -11.499 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.237 -11.573 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.164 -10.528 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.254 -9.811 3.333 1.00 0.00 H new ATOM 1155 N SER A 784 -12.544 -7.004 1.727 1.00 0.00 N ATOM 1156 CA SER A 784 -12.607 -5.837 2.559 1.00 0.00 C ATOM 1157 C SER A 784 -11.753 -4.738 1.941 1.00 0.00 C ATOM 1158 O SER A 784 -10.564 -4.937 1.699 1.00 0.00 O ATOM 1159 CB SER A 784 -12.098 -6.192 3.939 1.00 0.00 C ATOM 1160 OG SER A 784 -13.157 -6.273 4.877 1.00 0.00 O ATOM 0 H SER A 784 -11.769 -6.992 1.064 1.00 0.00 H new ATOM 0 HA SER A 784 -13.634 -5.481 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.571 -7.146 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.377 -5.443 4.266 1.00 0.00 H new ATOM 0 HG SER A 784 -13.878 -6.827 4.510 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.361 -3.590 1.662 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.632 -2.476 1.069 1.00 0.00 C ATOM 1168 C LYS A 785 -10.437 -2.120 1.930 1.00 0.00 C ATOM 1169 O LYS A 785 -9.556 -1.379 1.504 1.00 0.00 O ATOM 1170 CB LYS A 785 -12.542 -1.268 0.912 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.746 -0.478 2.192 1.00 0.00 C ATOM 1172 CD LYS A 785 -14.178 0.008 2.308 1.00 0.00 C ATOM 1173 CE LYS A 785 -15.155 -1.154 2.352 1.00 0.00 C ATOM 1174 NZ LYS A 785 -14.973 -1.990 3.570 1.00 0.00 N ATOM 0 H LYS A 785 -13.349 -3.407 1.836 1.00 0.00 H new ATOM 0 HA LYS A 785 -11.281 -2.776 0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -12.124 -0.608 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -13.512 -1.602 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.499 -1.101 3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -12.066 0.374 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -14.287 0.612 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.415 0.653 1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -16.175 -0.771 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -15.023 -1.773 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -14.622 -2.930 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -14.286 -1.535 4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -15.884 -2.090 4.061 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.421 -2.645 3.154 1.00 0.00 N ATOM 1189 CA LYS A 786 -9.326 -2.390 4.072 1.00 0.00 C ATOM 1190 C LYS A 786 -8.139 -3.273 3.717 1.00 0.00 C ATOM 1191 O LYS A 786 -6.998 -2.895 3.931 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.770 -2.611 5.522 1.00 0.00 C ATOM 1193 CG LYS A 786 -9.030 -1.752 6.539 1.00 0.00 C ATOM 1194 CD LYS A 786 -7.640 -2.293 6.831 1.00 0.00 C ATOM 1195 CE LYS A 786 -7.000 -1.575 8.009 1.00 0.00 C ATOM 1196 NZ LYS A 786 -7.821 -1.697 9.245 1.00 0.00 N ATOM 0 H LYS A 786 -11.155 -3.247 3.527 1.00 0.00 H new ATOM 0 HA LYS A 786 -9.020 -1.348 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -10.838 -2.406 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -9.628 -3.661 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -8.951 -0.732 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -9.605 -1.708 7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -7.701 -3.360 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -7.011 -2.179 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -6.007 -1.988 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -6.867 -0.521 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -7.219 -1.540 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -8.581 -0.987 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -8.237 -2.649 9.293 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.412 -4.469 3.213 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.349 -5.342 2.752 1.00 0.00 C ATOM 1212 C LEU A 787 -6.617 -4.589 1.702 1.00 0.00 C ATOM 1213 O LEU A 787 -5.396 -4.461 1.677 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.942 -6.567 2.084 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.277 -7.687 3.009 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.972 -8.789 2.244 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -7.011 -8.147 3.694 1.00 0.00 C ATOM 0 H LEU A 787 -9.352 -4.851 3.115 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.715 -5.644 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.847 -6.271 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.238 -6.931 1.336 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.971 -7.362 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.215 -9.606 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.889 -8.401 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.314 -9.156 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.243 -8.967 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.295 -8.487 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.581 -7.319 4.257 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.456 -4.106 0.838 1.00 0.00 N ATOM 1230 CA PHE A 788 -7.093 -3.319 -0.281 1.00 0.00 C ATOM 1231 C PHE A 788 -6.391 -2.065 0.144 1.00 0.00 C ATOM 1232 O PHE A 788 -5.368 -1.683 -0.421 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.353 -3.022 -1.009 1.00 0.00 C ATOM 1234 CG PHE A 788 -8.017 -2.589 -2.344 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.714 -1.309 -2.483 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.963 -3.429 -3.423 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.357 -0.794 -3.666 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.603 -2.927 -4.645 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.301 -1.600 -4.765 1.00 0.00 C ATOM 0 H PHE A 788 -8.462 -4.263 0.905 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.391 -3.849 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.987 -3.908 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.917 -2.247 -0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.756 -0.662 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.202 -4.476 -3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.114 0.255 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.558 -3.575 -5.508 1.00 0.00 H new ATOM 0 HZ PHE A 788 -7.020 -1.192 -5.724 1.00 0.00 H new ATOM 1249 N MET A 789 -6.945 -1.428 1.140 1.00 0.00 N ATOM 1250 CA MET A 789 -6.366 -0.229 1.655 1.00 0.00 C ATOM 1251 C MET A 789 -4.987 -0.531 2.194 1.00 0.00 C ATOM 1252 O MET A 789 -3.994 -0.079 1.662 1.00 0.00 O ATOM 1253 CB MET A 789 -7.247 0.323 2.739 1.00 0.00 C ATOM 1254 CG MET A 789 -8.330 1.210 2.182 1.00 0.00 C ATOM 1255 SD MET A 789 -8.524 2.701 3.136 1.00 0.00 S ATOM 1256 CE MET A 789 -7.920 3.841 1.915 1.00 0.00 C ATOM 0 H MET A 789 -7.801 -1.726 1.609 1.00 0.00 H new ATOM 0 HA MET A 789 -6.278 0.514 0.862 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.700 -0.499 3.293 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.641 0.889 3.447 1.00 0.00 H new ATOM 0 HG2 MET A 789 -8.093 1.468 1.150 1.00 0.00 H new ATOM 0 HG3 MET A 789 -9.273 0.664 2.166 1.00 0.00 H new ATOM 0 HE1 MET A 789 -7.306 4.601 2.399 1.00 0.00 H new ATOM 0 HE2 MET A 789 -7.321 3.303 1.180 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.763 4.320 1.416 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.964 -1.360 3.218 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.740 -1.767 3.892 1.00 0.00 C ATOM 1268 C ALA A 790 -2.640 -2.217 2.946 1.00 0.00 C ATOM 1269 O ALA A 790 -1.501 -1.803 3.095 1.00 0.00 O ATOM 1270 CB ALA A 790 -4.047 -2.912 4.828 1.00 0.00 C ATOM 0 H ALA A 790 -5.806 -1.778 3.614 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.376 -0.887 4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -3.134 -3.222 5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.782 -2.591 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.447 -3.751 4.258 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.979 -3.089 2.002 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.992 -3.624 1.069 1.00 0.00 C ATOM 1278 C ASP A 791 -1.505 -2.552 0.097 1.00 0.00 C ATOM 1279 O ASP A 791 -0.309 -2.347 -0.057 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.551 -4.837 0.334 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.720 -6.037 1.245 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.721 -6.452 1.870 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.847 -6.566 1.330 1.00 0.00 O ATOM 0 H ASP A 791 -3.927 -3.440 1.862 1.00 0.00 H new ATOM 0 HA ASP A 791 -1.125 -3.951 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.514 -4.580 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.885 -5.099 -0.488 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.402 -1.876 -0.590 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.956 -0.807 -1.470 1.00 0.00 C ATOM 1290 C LEU A 792 -1.172 0.168 -0.628 1.00 0.00 C ATOM 1291 O LEU A 792 -0.164 0.730 -1.055 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.138 -0.078 -2.106 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.201 -0.108 -3.606 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.292 0.819 -4.079 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.860 0.266 -4.181 1.00 0.00 C ATOM 0 H LEU A 792 -3.409 -2.035 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.352 -1.226 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -4.059 -0.510 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -3.113 0.963 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.439 -1.114 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.340 0.799 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.248 0.495 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.078 1.834 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.912 0.243 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.590 1.270 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.107 -0.443 -3.838 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.652 0.332 0.592 1.00 0.00 N ATOM 1308 CA GLN A 793 -1.027 1.209 1.550 1.00 0.00 C ATOM 1309 C GLN A 793 0.241 0.551 2.027 1.00 0.00 C ATOM 1310 O GLN A 793 1.150 1.192 2.550 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.979 1.495 2.703 1.00 0.00 C ATOM 1312 CG GLN A 793 -3.101 2.427 2.297 1.00 0.00 C ATOM 1313 CD GLN A 793 -4.234 2.497 3.302 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -5.434 2.778 2.804 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -4.035 2.310 4.502 1.00 0.00 N flip ATOM 0 H GLN A 793 -2.486 -0.141 0.941 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.784 2.168 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.400 0.557 3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.423 1.936 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.694 3.428 2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.500 2.103 1.336 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -3.095 2.097 4.836 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -4.810 2.368 5.163 1.00 0.00 H new ATOM 1324 N ARG A 794 0.266 -0.753 1.828 1.00 0.00 N ATOM 1325 CA ARG A 794 1.397 -1.570 2.173 1.00 0.00 C ATOM 1326 C ARG A 794 2.500 -1.282 1.171 1.00 0.00 C ATOM 1327 O ARG A 794 3.680 -1.396 1.488 1.00 0.00 O ATOM 1328 CB ARG A 794 1.008 -3.044 2.164 1.00 0.00 C ATOM 1329 CG ARG A 794 2.041 -3.918 2.816 1.00 0.00 C ATOM 1330 CD ARG A 794 2.079 -3.696 4.313 1.00 0.00 C ATOM 1331 NE ARG A 794 0.745 -3.493 4.877 1.00 0.00 N ATOM 1332 CZ ARG A 794 0.523 -2.967 6.079 1.00 0.00 C ATOM 1333 NH1 ARG A 794 1.542 -2.602 6.847 1.00 0.00 N ATOM 1334 NH2 ARG A 794 -0.720 -2.808 6.515 1.00 0.00 N ATOM 0 H ARG A 794 -0.510 -1.273 1.418 1.00 0.00 H new ATOM 0 HA ARG A 794 1.747 -1.338 3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.055 -3.168 2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 794 0.859 -3.370 1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 794 1.821 -4.965 2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.022 -3.707 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 794 2.548 -4.555 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 794 2.701 -2.828 4.534 1.00 0.00 H new ATOM 0 HE ARG A 794 -0.061 -3.770 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 794 2.499 -2.724 6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 794 1.368 -2.199 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 794 -1.506 -3.089 5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 794 -0.890 -2.405 7.436 1.00 0.00 H new ATOM 1348 N VAL A 795 2.106 -0.890 -0.051 1.00 0.00 N ATOM 1349 CA VAL A 795 3.090 -0.542 -1.062 1.00 0.00 C ATOM 1350 C VAL A 795 3.619 0.847 -0.754 1.00 0.00 C ATOM 1351 O VAL A 795 4.773 0.979 -0.382 1.00 0.00 O ATOM 1352 CB VAL A 795 2.566 -0.647 -2.538 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.352 -1.548 -2.600 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.258 0.698 -3.198 1.00 0.00 C ATOM 0 H VAL A 795 1.134 -0.810 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 795 3.892 -1.279 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 795 3.387 -1.077 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.999 -1.612 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.619 -2.543 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.562 -1.138 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.902 0.531 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.490 1.217 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.163 1.306 -3.225 1.00 0.00 H new ATOM 1364 N PHE A 796 2.741 1.858 -0.782 1.00 0.00 N ATOM 1365 CA PHE A 796 3.155 3.244 -0.522 1.00 0.00 C ATOM 1366 C PHE A 796 4.047 3.305 0.703 1.00 0.00 C ATOM 1367 O PHE A 796 5.114 3.907 0.671 1.00 0.00 O ATOM 1368 CB PHE A 796 1.960 4.166 -0.300 1.00 0.00 C ATOM 1369 CG PHE A 796 0.738 3.786 -1.075 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.802 3.520 -2.425 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.471 3.669 -0.446 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.314 3.143 -3.125 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.588 3.294 -1.146 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.500 3.030 -2.492 1.00 0.00 C ATOM 0 H PHE A 796 1.747 1.745 -0.980 1.00 0.00 H new ATOM 0 HA PHE A 796 3.697 3.583 -1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.715 4.174 0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.245 5.183 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.747 3.610 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.546 3.874 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.244 2.936 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.538 3.206 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.380 2.732 -3.043 1.00 0.00 H new ATOM 1384 N THR A 797 3.604 2.670 1.782 1.00 0.00 N ATOM 1385 CA THR A 797 4.370 2.656 3.017 1.00 0.00 C ATOM 1386 C THR A 797 5.709 1.961 2.816 1.00 0.00 C ATOM 1387 O THR A 797 6.723 2.440 3.305 1.00 0.00 O ATOM 1388 CB THR A 797 3.597 1.968 4.164 1.00 0.00 C ATOM 1389 OG1 THR A 797 4.177 2.325 5.425 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.607 0.448 4.018 1.00 0.00 C ATOM 0 H THR A 797 2.721 2.161 1.824 1.00 0.00 H new ATOM 0 HA THR A 797 4.542 3.696 3.296 1.00 0.00 H new ATOM 0 HB THR A 797 2.563 2.309 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 797 5.117 2.049 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 797 3.054 -0.000 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.139 0.170 3.074 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.636 0.088 4.033 1.00 0.00 H new ATOM 1398 N ASN A 798 5.710 0.837 2.092 1.00 0.00 N ATOM 1399 CA ASN A 798 6.946 0.108 1.846 1.00 0.00 C ATOM 1400 C ASN A 798 7.867 0.934 0.968 1.00 0.00 C ATOM 1401 O ASN A 798 9.085 0.871 1.105 1.00 0.00 O ATOM 1402 CB ASN A 798 6.674 -1.277 1.241 1.00 0.00 C ATOM 1403 CG ASN A 798 6.888 -1.364 -0.265 1.00 0.00 C ATOM 1404 OD1 ASN A 798 7.366 -2.515 -0.721 1.00 0.00 O flip ATOM 1405 ND2 ASN A 798 6.625 -0.422 -1.009 1.00 0.00 N flip ATOM 0 H ASN A 798 4.878 0.421 1.674 1.00 0.00 H new ATOM 0 HA ASN A 798 7.444 -0.062 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.321 -2.006 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.646 -1.562 1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 798 6.259 0.447 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 798 6.773 -0.510 -2.014 1.00 0.00 H new ATOM 1412 N CYS A 799 7.295 1.738 0.078 1.00 0.00 N ATOM 1413 CA CYS A 799 8.119 2.567 -0.758 1.00 0.00 C ATOM 1414 C CYS A 799 8.740 3.608 0.132 1.00 0.00 C ATOM 1415 O CYS A 799 9.942 3.634 0.351 1.00 0.00 O ATOM 1416 CB CYS A 799 7.323 3.191 -1.897 1.00 0.00 C ATOM 1417 SG CYS A 799 5.729 2.415 -2.174 1.00 0.00 S ATOM 0 H CYS A 799 6.290 1.825 -0.073 1.00 0.00 H new ATOM 0 HA CYS A 799 8.894 1.971 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 799 7.170 4.249 -1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 799 7.910 3.132 -2.814 1.00 0.00 H new ATOM 0 HG CYS A 799 5.375 2.581 -3.414 1.00 0.00 H new ATOM 1423 N LYS A 800 7.850 4.332 0.764 1.00 0.00 N ATOM 1424 CA LYS A 800 8.156 5.406 1.683 1.00 0.00 C ATOM 1425 C LYS A 800 9.065 4.914 2.794 1.00 0.00 C ATOM 1426 O LYS A 800 9.782 5.678 3.441 1.00 0.00 O ATOM 1427 CB LYS A 800 6.831 5.833 2.225 1.00 0.00 C ATOM 1428 CG LYS A 800 6.070 6.656 1.216 1.00 0.00 C ATOM 1429 CD LYS A 800 5.119 7.609 1.869 1.00 0.00 C ATOM 1430 CE LYS A 800 3.918 6.882 2.416 1.00 0.00 C ATOM 1431 NZ LYS A 800 4.235 6.097 3.641 1.00 0.00 N ATOM 0 H LYS A 800 6.847 4.184 0.648 1.00 0.00 H new ATOM 0 HA LYS A 800 8.682 6.229 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.246 4.954 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.977 6.413 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.774 7.213 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 800 5.518 5.993 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 800 5.626 8.139 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.797 8.359 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 800 3.133 7.604 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 800 3.523 6.213 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 3.465 5.425 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 5.123 5.574 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 4.339 6.743 4.450 1.00 0.00 H new ATOM 1445 N GLU A 801 9.003 3.611 2.991 1.00 0.00 N ATOM 1446 CA GLU A 801 9.778 2.911 4.002 1.00 0.00 C ATOM 1447 C GLU A 801 11.244 2.809 3.633 1.00 0.00 C ATOM 1448 O GLU A 801 12.131 3.287 4.336 1.00 0.00 O ATOM 1449 CB GLU A 801 9.259 1.473 4.094 1.00 0.00 C ATOM 1450 CG GLU A 801 8.794 1.045 5.474 1.00 0.00 C ATOM 1451 CD GLU A 801 7.960 2.102 6.171 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.725 2.096 5.991 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.542 2.934 6.898 1.00 0.00 O ATOM 0 H GLU A 801 8.401 2.996 2.443 1.00 0.00 H new ATOM 0 HA GLU A 801 9.677 3.467 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.430 1.357 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 801 10.049 0.796 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 801 8.211 0.128 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.664 0.812 6.089 1.00 0.00 H new ATOM 1460 N TYR A 802 11.449 2.187 2.493 1.00 0.00 N ATOM 1461 CA TYR A 802 12.760 1.863 1.975 1.00 0.00 C ATOM 1462 C TYR A 802 13.345 2.911 1.033 1.00 0.00 C ATOM 1463 O TYR A 802 14.491 2.797 0.609 1.00 0.00 O ATOM 1464 CB TYR A 802 12.580 0.545 1.266 1.00 0.00 C ATOM 1465 CG TYR A 802 13.790 -0.033 0.623 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.080 0.174 1.090 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.603 -0.788 -0.489 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.155 -0.388 0.436 1.00 0.00 C ATOM 1469 CE2 TYR A 802 14.652 -1.352 -1.155 1.00 0.00 C ATOM 1470 CZ TYR A 802 15.934 -1.153 -0.689 1.00 0.00 C ATOM 1471 OH TYR A 802 16.992 -1.722 -1.341 1.00 0.00 O ATOM 0 H TYR A 802 10.688 1.885 1.885 1.00 0.00 H new ATOM 0 HA TYR A 802 13.480 1.822 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.196 -0.179 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 802 11.814 0.671 0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.242 0.778 1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 802 12.600 -0.946 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.159 -0.231 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 802 14.480 -1.949 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 802 17.767 -1.752 -0.742 1.00 0.00 H new ATOM 1481 N ASN A 803 12.576 3.917 0.687 1.00 0.00 N ATOM 1482 CA ASN A 803 13.089 4.955 -0.193 1.00 0.00 C ATOM 1483 C ASN A 803 13.163 6.276 0.539 1.00 0.00 C ATOM 1484 O ASN A 803 12.537 6.442 1.582 1.00 0.00 O ATOM 1485 CB ASN A 803 12.228 5.110 -1.457 1.00 0.00 C ATOM 1486 CG ASN A 803 10.778 5.367 -1.174 1.00 0.00 C ATOM 1487 OD1 ASN A 803 10.423 5.882 -0.124 1.00 0.00 O ATOM 1488 ND2 ASN A 803 9.920 4.982 -2.112 1.00 0.00 N ATOM 0 H ASN A 803 11.611 4.043 0.991 1.00 0.00 H new ATOM 0 HA ASN A 803 14.090 4.653 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 803 12.623 5.931 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 803 12.316 4.205 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 803 8.918 5.112 -1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 803 10.263 4.556 -2.973 1.00 0.00 H new ATOM 1495 N PRO A 804 14.027 7.181 0.064 1.00 0.00 N ATOM 1496 CA PRO A 804 14.136 8.533 0.601 1.00 0.00 C ATOM 1497 C PRO A 804 13.149 9.454 -0.114 1.00 0.00 C ATOM 1498 O PRO A 804 12.903 9.281 -1.307 1.00 0.00 O ATOM 1499 CB PRO A 804 15.564 8.915 0.266 1.00 0.00 C ATOM 1500 CG PRO A 804 15.841 8.199 -1.014 1.00 0.00 C ATOM 1501 CD PRO A 804 15.032 6.927 -0.982 1.00 0.00 C ATOM 0 HA PRO A 804 13.913 8.605 1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.672 9.994 0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.254 8.608 1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.562 8.814 -1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 804 16.904 7.979 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.565 6.725 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.652 6.064 -0.741 1.00 0.00 H new ATOM 1509 N PRO A 805 12.577 10.448 0.588 1.00 0.00 N ATOM 1510 CA PRO A 805 11.576 11.351 0.007 1.00 0.00 C ATOM 1511 C PRO A 805 12.160 12.228 -1.097 1.00 0.00 C ATOM 1512 O PRO A 805 11.525 13.177 -1.555 1.00 0.00 O ATOM 1513 CB PRO A 805 11.107 12.203 1.192 1.00 0.00 C ATOM 1514 CG PRO A 805 11.659 11.540 2.412 1.00 0.00 C ATOM 1515 CD PRO A 805 12.888 10.802 1.971 1.00 0.00 C ATOM 0 HA PRO A 805 10.765 10.800 -0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.470 13.227 1.105 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.019 12.252 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 805 11.902 12.276 3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 805 10.930 10.856 2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 805 13.780 11.426 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 805 13.070 9.919 2.583 1.00 0.00 H new ATOM 1523 N GLU A 806 13.379 11.895 -1.515 1.00 0.00 N ATOM 1524 CA GLU A 806 14.067 12.632 -2.564 1.00 0.00 C ATOM 1525 C GLU A 806 14.397 11.715 -3.737 1.00 0.00 C ATOM 1526 O GLU A 806 14.677 12.184 -4.842 1.00 0.00 O ATOM 1527 CB GLU A 806 15.348 13.249 -2.013 1.00 0.00 C ATOM 1528 CG GLU A 806 15.114 14.198 -0.848 1.00 0.00 C ATOM 1529 CD GLU A 806 16.404 14.766 -0.291 1.00 0.00 C ATOM 1530 OE1 GLU A 806 16.868 15.805 -0.806 1.00 0.00 O ATOM 1531 OE2 GLU A 806 16.950 14.172 0.662 1.00 0.00 O ATOM 0 H GLU A 806 13.912 11.112 -1.137 1.00 0.00 H new ATOM 0 HA GLU A 806 13.408 13.425 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 806 16.017 12.451 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 806 15.856 13.788 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 806 14.472 15.016 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 806 14.582 13.671 -0.056 1.00 0.00 H new ATOM 1538 N SER A 807 14.371 10.408 -3.485 1.00 0.00 N ATOM 1539 CA SER A 807 14.665 9.418 -4.521 1.00 0.00 C ATOM 1540 C SER A 807 13.806 9.649 -5.744 1.00 0.00 C ATOM 1541 O SER A 807 14.229 10.297 -6.703 1.00 0.00 O ATOM 1542 CB SER A 807 14.425 8.003 -4.009 1.00 0.00 C ATOM 1543 OG SER A 807 15.650 7.313 -3.838 1.00 0.00 O ATOM 0 H SER A 807 14.149 10.009 -2.573 1.00 0.00 H new ATOM 0 HA SER A 807 15.716 9.530 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 807 13.889 8.041 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 807 13.792 7.460 -4.711 1.00 0.00 H new ATOM 0 HG SER A 807 16.370 7.959 -3.679 1.00 0.00 H new ATOM 1549 N GLU A 808 12.589 9.124 -5.690 1.00 0.00 N ATOM 1550 CA GLU A 808 11.655 9.240 -6.791 1.00 0.00 C ATOM 1551 C GLU A 808 10.390 8.442 -6.503 1.00 0.00 C ATOM 1552 O GLU A 808 9.276 8.938 -6.682 1.00 0.00 O ATOM 1553 CB GLU A 808 12.319 8.740 -8.072 1.00 0.00 C ATOM 1554 CG GLU A 808 11.343 8.296 -9.131 1.00 0.00 C ATOM 1555 CD GLU A 808 11.931 8.386 -10.528 1.00 0.00 C ATOM 1556 OE1 GLU A 808 12.852 7.601 -10.837 1.00 0.00 O ATOM 1557 OE2 GLU A 808 11.468 9.241 -11.312 1.00 0.00 O ATOM 0 H GLU A 808 12.228 8.610 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 808 11.375 10.286 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 808 12.946 9.534 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 808 12.978 7.907 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 808 11.037 7.269 -8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 808 10.445 8.912 -9.076 1.00 0.00 H new ATOM 1564 N TYR A 809 10.569 7.204 -6.054 1.00 0.00 N ATOM 1565 CA TYR A 809 9.440 6.336 -5.745 1.00 0.00 C ATOM 1566 C TYR A 809 8.780 6.760 -4.444 1.00 0.00 C ATOM 1567 O TYR A 809 7.584 6.552 -4.249 1.00 0.00 O ATOM 1568 CB TYR A 809 9.863 4.891 -5.640 1.00 0.00 C ATOM 1569 CG TYR A 809 11.120 4.569 -6.381 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.387 5.030 -7.659 1.00 0.00 C ATOM 1571 CD2 TYR A 809 12.047 3.809 -5.764 1.00 0.00 C ATOM 1572 CE1 TYR A 809 12.575 4.711 -8.288 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.224 3.480 -6.352 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.496 3.930 -7.629 1.00 0.00 C ATOM 1575 OH TYR A 809 14.680 3.604 -8.246 1.00 0.00 O ATOM 0 H TYR A 809 11.483 6.781 -5.896 1.00 0.00 H new ATOM 0 HA TYR A 809 8.728 6.431 -6.565 1.00 0.00 H new ATOM 0 HB2 TYR A 809 9.999 4.639 -4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.059 4.260 -6.018 1.00 0.00 H new ATOM 0 HD1 TYR A 809 10.660 5.645 -8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.845 3.449 -4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 809 12.778 5.071 -9.286 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.943 2.870 -5.825 1.00 0.00 H new ATOM 0 HH TYR A 809 14.704 4.004 -9.140 1.00 0.00 H new ATOM 1585 N TYR A 810 9.573 7.343 -3.545 1.00 0.00 N ATOM 1586 CA TYR A 810 9.055 7.787 -2.260 1.00 0.00 C ATOM 1587 C TYR A 810 7.899 8.749 -2.453 1.00 0.00 C ATOM 1588 O TYR A 810 6.781 8.478 -2.017 1.00 0.00 O ATOM 1589 CB TYR A 810 10.151 8.458 -1.423 1.00 0.00 C ATOM 1590 CG TYR A 810 9.795 8.584 0.046 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.544 8.971 0.427 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.710 8.303 1.040 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.203 9.077 1.751 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.386 8.406 2.374 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.123 8.795 2.726 1.00 0.00 C ATOM 1596 OH TYR A 810 8.777 8.903 4.054 1.00 0.00 O ATOM 0 H TYR A 810 10.568 7.516 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 810 8.701 6.905 -1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.073 7.884 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.350 9.450 -1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 810 7.807 9.199 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.707 7.994 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.205 9.384 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 810 11.120 8.182 3.134 1.00 0.00 H new ATOM 0 HH TYR A 810 9.546 8.666 4.613 1.00 0.00 H new ATOM 1606 N LYS A 811 8.163 9.875 -3.095 1.00 0.00 N ATOM 1607 CA LYS A 811 7.110 10.846 -3.324 1.00 0.00 C ATOM 1608 C LYS A 811 6.027 10.196 -4.136 1.00 0.00 C ATOM 1609 O LYS A 811 4.865 10.527 -4.002 1.00 0.00 O ATOM 1610 CB LYS A 811 7.621 12.074 -4.061 1.00 0.00 C ATOM 1611 CG LYS A 811 9.093 12.322 -3.866 1.00 0.00 C ATOM 1612 CD LYS A 811 9.655 13.217 -4.954 1.00 0.00 C ATOM 1613 CE LYS A 811 10.164 12.396 -6.124 1.00 0.00 C ATOM 1614 NZ LYS A 811 10.242 13.196 -7.377 1.00 0.00 N ATOM 0 H LYS A 811 9.079 10.135 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 811 6.730 11.175 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 811 7.418 11.960 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.065 12.949 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.260 12.783 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.626 11.371 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 811 8.884 13.907 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 811 10.466 13.822 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 811 11.151 11.999 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 811 9.506 11.541 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 10.594 12.596 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 9.296 13.554 -7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 10.890 13.997 -7.237 1.00 0.00 H new ATOM 1628 N CYS A 812 6.434 9.277 -4.995 1.00 0.00 N ATOM 1629 CA CYS A 812 5.500 8.546 -5.826 1.00 0.00 C ATOM 1630 C CYS A 812 4.578 7.712 -4.954 1.00 0.00 C ATOM 1631 O CYS A 812 3.442 7.440 -5.313 1.00 0.00 O ATOM 1632 CB CYS A 812 6.256 7.637 -6.787 1.00 0.00 C ATOM 1633 SG CYS A 812 6.803 8.446 -8.309 1.00 0.00 S ATOM 0 H CYS A 812 7.411 9.020 -5.134 1.00 0.00 H new ATOM 0 HA CYS A 812 4.907 9.258 -6.400 1.00 0.00 H new ATOM 0 HB2 CYS A 812 7.127 7.230 -6.273 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.617 6.793 -7.048 1.00 0.00 H new ATOM 0 HG CYS A 812 8.018 8.881 -8.156 1.00 0.00 H new ATOM 1639 N ALA A 813 5.087 7.314 -3.799 1.00 0.00 N ATOM 1640 CA ALA A 813 4.319 6.517 -2.859 1.00 0.00 C ATOM 1641 C ALA A 813 3.279 7.385 -2.180 1.00 0.00 C ATOM 1642 O ALA A 813 2.123 7.006 -2.069 1.00 0.00 O ATOM 1643 CB ALA A 813 5.248 5.871 -1.849 1.00 0.00 C ATOM 0 H ALA A 813 6.034 7.532 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 813 3.799 5.722 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.665 5.275 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.959 5.228 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.789 6.645 -1.305 1.00 0.00 H new ATOM 1649 N ASN A 814 3.710 8.557 -1.741 1.00 0.00 N ATOM 1650 CA ASN A 814 2.853 9.526 -1.097 1.00 0.00 C ATOM 1651 C ASN A 814 1.871 10.099 -2.119 1.00 0.00 C ATOM 1652 O ASN A 814 0.687 10.292 -1.843 1.00 0.00 O ATOM 1653 CB ASN A 814 3.740 10.632 -0.552 1.00 0.00 C ATOM 1654 CG ASN A 814 3.080 11.467 0.532 1.00 0.00 C ATOM 1655 OD1 ASN A 814 1.765 11.632 0.447 1.00 0.00 O flip ATOM 1656 ND2 ASN A 814 3.750 11.964 1.437 1.00 0.00 N flip ATOM 0 H ASN A 814 4.680 8.861 -1.826 1.00 0.00 H new ATOM 0 HA ASN A 814 2.282 9.065 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.653 10.190 -0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.035 11.286 -1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 814 4.758 11.814 1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 814 3.297 12.526 2.157 1.00 0.00 H new ATOM 1663 N ILE A 815 2.401 10.344 -3.310 1.00 0.00 N ATOM 1664 CA ILE A 815 1.643 10.888 -4.427 1.00 0.00 C ATOM 1665 C ILE A 815 0.545 9.928 -4.798 1.00 0.00 C ATOM 1666 O ILE A 815 -0.632 10.277 -4.821 1.00 0.00 O ATOM 1667 CB ILE A 815 2.550 11.125 -5.643 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.220 12.480 -5.527 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.771 11.021 -6.938 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.580 12.518 -6.147 1.00 0.00 C ATOM 0 H ILE A 815 3.381 10.168 -3.529 1.00 0.00 H new ATOM 0 HA ILE A 815 1.217 11.845 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 815 3.316 10.350 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.590 13.232 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.300 12.750 -4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.441 11.194 -7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.333 10.026 -7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 815 0.978 11.768 -6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.005 13.515 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.224 11.789 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.503 12.278 -7.208 1.00 0.00 H new ATOM 1682 N LEU A 816 0.957 8.717 -5.117 1.00 0.00 N ATOM 1683 CA LEU A 816 0.030 7.667 -5.439 1.00 0.00 C ATOM 1684 C LEU A 816 -0.955 7.558 -4.306 1.00 0.00 C ATOM 1685 O LEU A 816 -2.149 7.692 -4.492 1.00 0.00 O ATOM 1686 CB LEU A 816 0.775 6.355 -5.598 1.00 0.00 C ATOM 1687 CG LEU A 816 0.150 5.358 -6.539 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.949 4.096 -6.525 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.273 5.119 -6.156 1.00 0.00 C ATOM 0 H LEU A 816 1.938 8.441 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.486 7.888 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.785 6.572 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.869 5.891 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 816 0.154 5.750 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.499 3.373 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.969 4.308 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.962 3.685 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.718 4.397 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.315 4.728 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.826 6.057 -6.208 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.416 7.349 -3.124 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.214 7.234 -1.922 1.00 0.00 C ATOM 1703 C GLU A 817 -2.277 8.341 -1.868 1.00 0.00 C ATOM 1704 O GLU A 817 -3.328 8.188 -1.261 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.294 7.325 -0.709 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.951 6.884 0.585 1.00 0.00 C ATOM 1707 CD GLU A 817 0.043 6.698 1.716 1.00 0.00 C ATOM 1708 OE1 GLU A 817 0.487 7.715 2.289 1.00 0.00 O ATOM 1709 OE2 GLU A 817 0.377 5.536 2.028 1.00 0.00 O ATOM 0 H GLU A 817 0.588 7.254 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.730 6.274 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.589 6.711 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.050 8.354 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.695 7.624 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -1.482 5.947 0.417 1.00 0.00 H new ATOM 1716 N LYS A 818 -1.980 9.466 -2.495 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.876 10.591 -2.558 1.00 0.00 C ATOM 1718 C LYS A 818 -3.919 10.403 -3.673 1.00 0.00 C ATOM 1719 O LYS A 818 -5.124 10.477 -3.419 1.00 0.00 O ATOM 1720 CB LYS A 818 -1.991 11.782 -2.741 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.422 12.700 -3.814 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.235 13.460 -4.366 1.00 0.00 C ATOM 1723 CE LYS A 818 -1.210 13.414 -5.880 1.00 0.00 C ATOM 1724 NZ LYS A 818 -2.393 14.091 -6.479 1.00 0.00 N ATOM 0 H LYS A 818 -1.095 9.619 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.477 10.711 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.946 12.334 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -0.979 11.439 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.904 12.136 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.162 13.400 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.276 14.497 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.312 13.035 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.298 13.890 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.181 12.376 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -2.302 14.096 -7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -3.258 13.581 -6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -2.446 15.070 -6.131 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.458 10.163 -4.904 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.363 9.914 -6.027 1.00 0.00 C ATOM 1740 C PHE A 819 -5.254 8.754 -5.636 1.00 0.00 C ATOM 1741 O PHE A 819 -6.481 8.826 -5.700 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.533 9.586 -7.276 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.236 8.812 -8.371 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.666 7.505 -8.170 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.419 9.377 -9.623 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.260 6.787 -9.170 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.025 8.661 -10.638 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.445 7.364 -10.413 1.00 0.00 C ATOM 0 H PHE A 819 -2.468 10.136 -5.146 1.00 0.00 H new ATOM 0 HA PHE A 819 -4.977 10.785 -6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.170 10.522 -7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.658 9.016 -6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.528 7.047 -7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.085 10.387 -9.808 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.584 5.773 -8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.170 9.115 -11.607 1.00 0.00 H new ATOM 0 HZ PHE A 819 -5.917 6.802 -11.206 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.588 7.670 -5.269 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.238 6.478 -4.783 1.00 0.00 C ATOM 1760 C PHE A 820 -6.271 6.887 -3.766 1.00 0.00 C ATOM 1761 O PHE A 820 -7.414 6.481 -3.873 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.173 5.536 -4.229 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.457 4.868 -2.934 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -5.048 3.667 -2.958 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -4.063 5.386 -1.726 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -5.268 2.954 -1.830 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -4.292 4.683 -0.557 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.899 3.451 -0.618 1.00 0.00 C ATOM 0 H PHE A 820 -3.571 7.599 -5.303 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.759 5.937 -5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -3.988 4.762 -4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.247 6.101 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -5.358 3.255 -3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -3.572 6.347 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -5.739 1.984 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -3.997 5.098 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.081 2.885 0.284 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.885 7.761 -2.830 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.820 8.230 -1.820 1.00 0.00 C ATOM 1780 C PHE A 821 -8.076 8.808 -2.441 1.00 0.00 C ATOM 1781 O PHE A 821 -9.153 8.696 -1.873 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.167 9.206 -0.856 1.00 0.00 C ATOM 1783 CG PHE A 821 -6.014 8.582 0.493 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.284 7.433 0.589 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.643 9.078 1.622 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.154 6.757 1.776 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.512 8.421 2.836 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.766 7.254 2.914 1.00 0.00 C ATOM 0 H PHE A 821 -4.945 8.149 -2.756 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.123 7.360 -1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.191 9.506 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.771 10.110 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.796 7.045 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.237 9.978 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.579 5.844 1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.990 8.817 3.720 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.663 6.737 3.856 1.00 0.00 H new ATOM 1798 N SER A 822 -7.945 9.411 -3.609 1.00 0.00 N ATOM 1799 CA SER A 822 -9.103 9.969 -4.291 1.00 0.00 C ATOM 1800 C SER A 822 -9.925 8.860 -4.953 1.00 0.00 C ATOM 1801 O SER A 822 -11.124 9.010 -5.163 1.00 0.00 O ATOM 1802 CB SER A 822 -8.666 10.998 -5.335 1.00 0.00 C ATOM 1803 OG SER A 822 -7.954 12.065 -4.732 1.00 0.00 O ATOM 0 H SER A 822 -7.060 9.527 -4.102 1.00 0.00 H new ATOM 0 HA SER A 822 -9.727 10.468 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.039 10.516 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 822 -9.541 11.388 -5.854 1.00 0.00 H new ATOM 0 HG SER A 822 -7.684 12.708 -5.420 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.263 7.746 -5.265 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.906 6.592 -5.909 1.00 0.00 C ATOM 1811 C LYS A 823 -10.652 5.723 -4.914 1.00 0.00 C ATOM 1812 O LYS A 823 -11.725 5.197 -5.205 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.843 5.748 -6.610 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.031 6.498 -7.640 1.00 0.00 C ATOM 1815 CD LYS A 823 -8.914 7.258 -8.601 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.256 8.536 -9.067 1.00 0.00 C ATOM 1817 NZ LYS A 823 -9.252 9.543 -9.527 1.00 0.00 N ATOM 0 H LYS A 823 -8.268 7.614 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.631 6.976 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.167 5.340 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.330 4.902 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.358 7.192 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.409 5.796 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -9.141 6.630 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.863 7.491 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.665 8.957 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -7.565 8.312 -9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.758 10.404 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.799 9.153 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -9.896 9.777 -8.744 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.079 5.573 -3.745 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.682 4.774 -2.702 1.00 0.00 C ATOM 1833 C ILE A 824 -11.856 5.549 -2.160 1.00 0.00 C ATOM 1834 O ILE A 824 -12.961 5.042 -2.018 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.692 4.514 -1.583 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.633 5.554 -1.613 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -9.071 3.152 -1.727 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.497 5.282 -0.699 1.00 0.00 C ATOM 0 H ILE A 824 -9.188 5.997 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 824 -10.995 3.811 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.220 4.552 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.254 5.643 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -9.074 6.516 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.364 2.987 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.851 2.391 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.548 3.090 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.766 6.086 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.861 5.223 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -7.028 4.337 -0.973 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.585 6.819 -1.905 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.581 7.740 -1.395 1.00 0.00 C ATOM 1852 C LYS A 825 -13.797 7.690 -2.286 1.00 0.00 C ATOM 1853 O LYS A 825 -14.932 7.532 -1.839 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.056 9.162 -1.412 1.00 0.00 C ATOM 1855 CG LYS A 825 -12.034 9.800 -0.041 1.00 0.00 C ATOM 1856 CD LYS A 825 -11.560 11.233 -0.085 1.00 0.00 C ATOM 1857 CE LYS A 825 -10.218 11.335 -0.779 1.00 0.00 C ATOM 1858 NZ LYS A 825 -9.301 12.284 -0.089 1.00 0.00 N ATOM 0 H LYS A 825 -10.666 7.238 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.825 7.451 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -11.047 9.166 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.675 9.764 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -13.034 9.763 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.382 9.224 0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.293 11.847 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.481 11.626 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -9.755 10.349 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -10.367 11.659 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -8.395 12.323 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -9.730 13.231 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -9.137 11.962 0.886 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.509 7.846 -3.569 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.517 7.834 -4.608 1.00 0.00 C ATOM 1874 C GLU A 826 -15.303 6.543 -4.553 1.00 0.00 C ATOM 1875 O GLU A 826 -16.514 6.524 -4.775 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.843 7.994 -5.980 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.698 6.700 -6.766 1.00 0.00 C ATOM 1878 CD GLU A 826 -14.958 6.318 -7.520 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -15.292 7.009 -8.507 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -15.610 5.329 -7.126 1.00 0.00 O ATOM 0 H GLU A 826 -12.560 7.985 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.206 8.664 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.420 8.702 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.854 8.430 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -12.875 6.802 -7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -13.432 5.894 -6.082 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.600 5.463 -4.253 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.228 4.161 -4.190 1.00 0.00 C ATOM 1889 C ALA A 827 -15.735 3.805 -2.792 1.00 0.00 C ATOM 1890 O ALA A 827 -16.046 2.650 -2.534 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.266 3.104 -4.691 1.00 0.00 C ATOM 0 H ALA A 827 -13.600 5.465 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.107 4.198 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.743 2.125 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -13.991 3.322 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.371 3.103 -4.069 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.833 4.790 -1.901 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.316 4.515 -0.550 1.00 0.00 C ATOM 1899 C GLY A 828 -15.365 3.638 0.237 1.00 0.00 C ATOM 1900 O GLY A 828 -15.709 3.113 1.294 1.00 0.00 O ATOM 0 H GLY A 828 -15.591 5.764 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.460 5.457 -0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.290 4.029 -0.607 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.160 3.506 -0.281 1.00 0.00 N ATOM 1905 CA LEU A 829 -13.132 2.673 0.318 1.00 0.00 C ATOM 1906 C LEU A 829 -12.703 3.202 1.676 1.00 0.00 C ATOM 1907 O LEU A 829 -13.297 2.848 2.695 1.00 0.00 O ATOM 1908 CB LEU A 829 -11.975 2.613 -0.662 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.358 2.037 -2.030 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.229 1.282 -2.656 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.573 1.130 -1.947 1.00 0.00 C ATOM 0 H LEU A 829 -13.863 3.977 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.515 1.670 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.574 3.617 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.177 2.007 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.600 2.896 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.545 0.891 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.378 1.949 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.941 0.455 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.808 0.745 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.361 0.298 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.424 1.695 -1.566 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.665 4.033 1.678 1.00 0.00 N ATOM 1924 CA ILE A 830 -11.150 4.650 2.886 1.00 0.00 C ATOM 1925 C ILE A 830 -12.169 4.682 4.006 1.00 0.00 C ATOM 1926 O ILE A 830 -13.204 5.341 3.904 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.713 6.071 2.587 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.674 6.241 1.091 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.341 6.332 3.161 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.835 7.386 0.644 1.00 0.00 C ATOM 0 H ILE A 830 -11.157 4.296 0.833 1.00 0.00 H new ATOM 0 HA ILE A 830 -10.307 4.043 3.217 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.412 6.776 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.294 5.325 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.690 6.380 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -9.042 7.356 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.365 6.188 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.624 5.640 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.853 7.448 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.227 8.311 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.809 7.239 0.982 1.00 0.00 H new ATOM 1942 N ASP A 831 -11.868 3.966 5.070 1.00 0.00 N ATOM 1943 CA ASP A 831 -12.765 3.907 6.214 1.00 0.00 C ATOM 1944 C ASP A 831 -12.050 3.373 7.456 1.00 0.00 C ATOM 1945 O ASP A 831 -12.693 2.939 8.412 1.00 0.00 O ATOM 1946 CB ASP A 831 -13.974 3.026 5.887 1.00 0.00 C ATOM 1947 CG ASP A 831 -15.083 3.153 6.915 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -15.829 4.153 6.863 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -15.204 2.252 7.771 1.00 0.00 O ATOM 0 H ASP A 831 -11.014 3.418 5.170 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.103 4.921 6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -14.361 3.297 4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -13.655 1.985 5.828 1.00 0.00 H new ATOM 1954 N LYS A 832 -10.719 3.410 7.442 1.00 0.00 N ATOM 1955 CA LYS A 832 -9.934 2.922 8.570 1.00 0.00 C ATOM 1956 C LYS A 832 -9.803 3.993 9.650 1.00 0.00 C ATOM 1957 O LYS A 832 -9.351 5.111 9.328 1.00 0.00 O ATOM 1958 CB LYS A 832 -8.549 2.461 8.102 1.00 0.00 C ATOM 1959 CG LYS A 832 -7.704 3.563 7.480 1.00 0.00 C ATOM 1960 CD LYS A 832 -6.305 3.067 7.146 1.00 0.00 C ATOM 1961 CE LYS A 832 -5.398 4.206 6.714 1.00 0.00 C ATOM 1962 NZ LYS A 832 -5.883 4.865 5.470 1.00 0.00 N ATOM 1963 OXT LYS A 832 -10.158 3.704 10.812 1.00 0.00 O ATOM 0 H LYS A 832 -10.165 3.771 6.665 1.00 0.00 H new ATOM 0 HA LYS A 832 -10.457 2.069 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -8.011 2.042 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -8.672 1.658 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -8.188 3.928 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -7.638 4.406 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -5.877 2.570 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -6.362 2.324 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -5.336 4.943 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -4.390 3.825 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -5.069 5.150 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -6.476 4.200 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -6.443 5.705 5.718 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 17.956 7.419 -17.249 1.00 0.00 N ATOM 1979 CA SER B 31 17.312 6.905 -18.484 1.00 0.00 C ATOM 1980 C SER B 31 16.620 5.571 -18.222 1.00 0.00 C ATOM 1981 O SER B 31 17.275 4.566 -17.951 1.00 0.00 O ATOM 1982 CB SER B 31 18.354 6.738 -19.592 1.00 0.00 C ATOM 1983 OG SER B 31 17.758 6.258 -20.785 1.00 0.00 O ATOM 0 HA SER B 31 16.561 7.629 -18.801 1.00 0.00 H new ATOM 0 HB2 SER B 31 18.841 7.694 -19.784 1.00 0.00 H new ATOM 0 HB3 SER B 31 19.129 6.045 -19.265 1.00 0.00 H new ATOM 0 HG SER B 31 18.444 6.161 -21.478 1.00 0.00 H new ATOM 1991 N THR B 32 15.290 5.575 -18.306 1.00 0.00 N ATOM 1992 CA THR B 32 14.497 4.368 -18.081 1.00 0.00 C ATOM 1993 C THR B 32 14.706 3.824 -16.670 1.00 0.00 C ATOM 1994 O THR B 32 15.716 3.180 -16.385 1.00 0.00 O ATOM 1995 CB THR B 32 14.841 3.267 -19.104 1.00 0.00 C ATOM 1996 OG1 THR B 32 14.670 3.765 -20.436 1.00 0.00 O ATOM 1997 CG2 THR B 32 13.957 2.043 -18.900 1.00 0.00 C ATOM 0 H THR B 32 14.738 6.403 -18.529 1.00 0.00 H new ATOM 0 HA THR B 32 13.452 4.651 -18.205 1.00 0.00 H new ATOM 0 HB THR B 32 15.881 2.976 -18.955 1.00 0.00 H new ATOM 0 HG1 THR B 32 14.892 3.060 -21.080 1.00 0.00 H new ATOM 0 HG21 THR B 32 14.218 1.280 -19.633 1.00 0.00 H new ATOM 0 HG22 THR B 32 14.108 1.648 -17.895 1.00 0.00 H new ATOM 0 HG23 THR B 32 12.911 2.324 -19.026 1.00 0.00 H new ATOM 2005 N GLY B 33 13.740 4.084 -15.795 1.00 0.00 N ATOM 2006 CA GLY B 33 13.833 3.615 -14.424 1.00 0.00 C ATOM 2007 C GLY B 33 13.651 2.114 -14.306 1.00 0.00 C ATOM 2008 O GLY B 33 14.133 1.355 -15.149 1.00 0.00 O ATOM 0 H GLY B 33 12.894 4.611 -16.011 1.00 0.00 H new ATOM 0 HA2 GLY B 33 14.804 3.893 -14.014 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.077 4.117 -13.820 1.00 0.00 H new ATOM 2012 N GLY B 34 12.954 1.687 -13.259 1.00 0.00 N ATOM 2013 CA GLY B 34 12.722 0.270 -13.049 1.00 0.00 C ATOM 2014 C GLY B 34 13.599 -0.302 -11.952 1.00 0.00 C ATOM 2015 O GLY B 34 13.299 -1.361 -11.399 1.00 0.00 O ATOM 0 H GLY B 34 12.545 2.297 -12.551 1.00 0.00 H new ATOM 0 HA2 GLY B 34 11.674 0.110 -12.794 1.00 0.00 H new ATOM 0 HA3 GLY B 34 12.910 -0.268 -13.978 1.00 0.00 H new ATOM 2019 N VAL B 35 14.682 0.400 -11.635 1.00 0.00 N ATOM 2020 CA VAL B 35 15.603 -0.044 -10.595 1.00 0.00 C ATOM 2021 C VAL B 35 15.042 0.254 -9.207 1.00 0.00 C ATOM 2022 O VAL B 35 13.832 0.417 -9.043 1.00 0.00 O ATOM 2023 CB VAL B 35 16.986 0.621 -10.745 1.00 0.00 C ATOM 2024 CG1 VAL B 35 17.597 0.281 -12.097 1.00 0.00 C ATOM 2025 CG2 VAL B 35 16.883 2.129 -10.562 1.00 0.00 C ATOM 0 H VAL B 35 14.943 1.278 -12.083 1.00 0.00 H new ATOM 0 HA VAL B 35 15.721 -1.122 -10.709 1.00 0.00 H new ATOM 0 HB VAL B 35 17.640 0.231 -9.966 1.00 0.00 H new ATOM 0 HG11 VAL B 35 18.573 0.759 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL B 35 17.713 -0.799 -12.183 1.00 0.00 H new ATOM 0 HG13 VAL B 35 16.944 0.640 -12.892 1.00 0.00 H new ATOM 0 HG21 VAL B 35 17.870 2.577 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL B 35 16.211 2.542 -11.315 1.00 0.00 H new ATOM 0 HG23 VAL B 35 16.493 2.349 -9.568 1.00 0.00 H new HETATM 2035 OH ALY B 36 10.285 1.643 -5.408 1.00 0.00 O HETATM 2036 CH ALY B 36 10.032 0.442 -5.354 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.707 0.005 -4.711 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.955 -0.480 -5.641 1.00 0.00 N HETATM 2039 CE ALY B 36 11.914 -0.985 -4.660 1.00 0.00 C HETATM 2040 CD ALY B 36 13.186 -1.549 -5.276 1.00 0.00 C HETATM 2041 CG ALY B 36 14.378 -0.707 -4.933 1.00 0.00 C HETATM 2042 CB ALY B 36 15.366 -0.729 -6.077 1.00 0.00 C HETATM 2043 CA ALY B 36 15.492 0.589 -6.841 1.00 0.00 C HETATM 2044 N ALY B 36 15.920 0.324 -8.209 1.00 0.00 N HETATM 2045 C ALY B 36 16.474 1.507 -6.119 1.00 0.00 C HETATM 2046 O ALY B 36 17.431 1.038 -5.503 1.00 0.00 O HETATM 0 HH33 ALY B 36 8.676 0.344 -3.676 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.874 0.442 -5.261 1.00 0.00 H new HETATM 0 HH31 ALY B 36 8.630 -1.082 -4.739 1.00 0.00 H new HETATM 0 HZ ALY B 36 10.992 -0.850 -6.591 1.00 0.00 H new HETATM 0 HG3 ALY B 36 14.850 -1.082 -4.025 1.00 0.00 H new HETATM 0 HG2 ALY B 36 14.065 0.317 -4.730 1.00 0.00 H new HETATM 0 HE3 ALY B 36 11.435 -1.762 -4.064 1.00 0.00 H new HETATM 0 HE2 ALY B 36 12.179 -0.178 -3.977 1.00 0.00 H new HETATM 0 HD3 ALY B 36 13.075 -1.602 -6.359 1.00 0.00 H new HETATM 0 HD2 ALY B 36 13.344 -2.568 -4.921 1.00 0.00 H new HETATM 0 HCA ALY B 36 14.525 1.090 -6.880 1.00 0.00 H new HETATM 0 HB3 ALY B 36 15.073 -1.512 -6.777 1.00 0.00 H new HETATM 0 HB2 ALY B 36 16.346 -1.001 -5.686 1.00 0.00 H new ATOM 2061 N LYS B 37 16.237 2.813 -6.207 1.00 0.00 N ATOM 2062 CA LYS B 37 17.086 3.784 -5.535 1.00 0.00 C ATOM 2063 C LYS B 37 17.198 3.399 -4.066 1.00 0.00 C ATOM 2064 O LYS B 37 16.198 3.393 -3.347 1.00 0.00 O ATOM 2065 CB LYS B 37 16.511 5.194 -5.677 1.00 0.00 C ATOM 2066 CG LYS B 37 16.693 5.787 -7.065 1.00 0.00 C ATOM 2067 CD LYS B 37 16.112 7.191 -7.156 1.00 0.00 C ATOM 2068 CE LYS B 37 16.357 7.805 -8.525 1.00 0.00 C ATOM 2069 NZ LYS B 37 15.837 9.197 -8.614 1.00 0.00 N ATOM 0 H LYS B 37 15.466 3.219 -6.736 1.00 0.00 H new ATOM 0 HA LYS B 37 18.075 3.782 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS B 37 15.448 5.170 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS B 37 16.988 5.847 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS B 37 17.754 5.815 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS B 37 16.211 5.145 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS B 37 15.041 7.157 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS B 37 16.559 7.822 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS B 37 17.426 7.803 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS B 37 15.880 7.190 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 15.427 9.355 -9.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 15.105 9.341 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 16.615 9.869 -8.459 1.00 0.00 H new ATOM 2083 N PRO B 38 18.409 3.071 -3.591 1.00 0.00 N ATOM 2084 CA PRO B 38 18.607 2.635 -2.212 1.00 0.00 C ATOM 2085 C PRO B 38 18.328 3.733 -1.189 1.00 0.00 C ATOM 2086 O PRO B 38 18.046 4.878 -1.545 1.00 0.00 O ATOM 2087 CB PRO B 38 20.085 2.223 -2.152 1.00 0.00 C ATOM 2088 CG PRO B 38 20.563 2.188 -3.567 1.00 0.00 C ATOM 2089 CD PRO B 38 19.674 3.119 -4.340 1.00 0.00 C ATOM 0 HA PRO B 38 17.916 1.831 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO B 38 20.664 2.934 -1.562 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.199 1.248 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO B 38 21.605 2.502 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO B 38 20.509 1.177 -3.970 1.00 0.00 H new ATOM 0 HD2 PRO B 38 20.083 4.129 -4.377 1.00 0.00 H new ATOM 0 HD3 PRO B 38 19.545 2.790 -5.371 1.00 0.00 H new ATOM 2097 N HIS B 39 18.419 3.363 0.088 1.00 0.00 N ATOM 2098 CA HIS B 39 18.191 4.292 1.192 1.00 0.00 C ATOM 2099 C HIS B 39 18.501 3.612 2.526 1.00 0.00 C ATOM 2100 O HIS B 39 18.481 2.385 2.620 1.00 0.00 O ATOM 2101 CB HIS B 39 16.747 4.811 1.168 1.00 0.00 C ATOM 2102 CG HIS B 39 16.281 5.397 2.470 1.00 0.00 C ATOM 2103 ND1 HIS B 39 16.288 6.675 2.919 1.00 0.00 N flip ATOM 2104 CD2 HIS B 39 15.731 4.641 3.486 1.00 0.00 C flip ATOM 2105 CE1 HIS B 39 15.747 6.667 4.182 1.00 0.00 C flip ATOM 2106 NE2 HIS B 39 15.419 5.430 4.501 1.00 0.00 N flip ATOM 0 H HIS B 39 18.652 2.415 0.385 1.00 0.00 H new ATOM 0 HA HIS B 39 18.860 5.145 1.076 1.00 0.00 H new ATOM 0 HB2 HIS B 39 16.658 5.568 0.389 1.00 0.00 H new ATOM 0 HB3 HIS B 39 16.083 3.992 0.893 1.00 0.00 H new ATOM 0 HD2 HIS B 39 15.579 3.572 3.457 1.00 0.00 H new ATOM 0 HE1 HIS B 39 15.612 7.534 4.812 1.00 0.00 H new ATOM 0 HE2 HIS B 39 14.997 5.132 5.380 1.00 0.00 H new ATOM 2115 N ARG B 40 18.797 4.418 3.545 1.00 0.00 N ATOM 2116 CA ARG B 40 19.126 3.904 4.873 1.00 0.00 C ATOM 2117 C ARG B 40 18.108 2.871 5.353 1.00 0.00 C ATOM 2118 O ARG B 40 17.109 3.211 5.987 1.00 0.00 O ATOM 2119 CB ARG B 40 19.214 5.055 5.880 1.00 0.00 C ATOM 2120 CG ARG B 40 20.313 6.060 5.567 1.00 0.00 C ATOM 2121 CD ARG B 40 21.695 5.436 5.684 1.00 0.00 C ATOM 2122 NE ARG B 40 21.974 4.971 7.040 1.00 0.00 N ATOM 2123 CZ ARG B 40 23.074 4.304 7.380 1.00 0.00 C ATOM 2124 NH1 ARG B 40 23.994 4.025 6.466 1.00 0.00 N ATOM 2125 NH2 ARG B 40 23.255 3.918 8.635 1.00 0.00 N ATOM 0 H ARG B 40 18.815 5.435 3.475 1.00 0.00 H new ATOM 0 HA ARG B 40 20.094 3.408 4.800 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.256 5.575 5.909 1.00 0.00 H new ATOM 0 HB3 ARG B 40 19.383 4.643 6.875 1.00 0.00 H new ATOM 0 HG2 ARG B 40 20.174 6.449 4.559 1.00 0.00 H new ATOM 0 HG3 ARG B 40 20.237 6.907 6.249 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.774 4.599 4.990 1.00 0.00 H new ATOM 0 HD3 ARG B 40 22.448 6.167 5.389 1.00 0.00 H new ATOM 0 HE ARG B 40 21.287 5.169 7.767 1.00 0.00 H new ATOM 0 HH11 ARG B 40 23.859 4.322 5.500 1.00 0.00 H new ATOM 0 HH12 ARG B 40 24.836 3.514 6.730 1.00 0.00 H new ATOM 0 HH21 ARG B 40 22.551 4.132 9.341 1.00 0.00 H new ATOM 0 HH22 ARG B 40 24.099 3.407 8.895 1.00 0.00 H new ATOM 2139 N TYR B 41 18.381 1.606 5.044 1.00 0.00 N ATOM 2140 CA TYR B 41 17.516 0.498 5.439 1.00 0.00 C ATOM 2141 C TYR B 41 18.152 -0.828 5.043 1.00 0.00 C ATOM 2142 O TYR B 41 17.496 -1.869 5.029 1.00 0.00 O ATOM 2143 CB TYR B 41 16.125 0.627 4.805 1.00 0.00 C ATOM 2144 CG TYR B 41 15.004 0.640 5.823 1.00 0.00 C ATOM 2145 CD1 TYR B 41 14.917 -0.342 6.805 1.00 0.00 C ATOM 2146 CD2 TYR B 41 14.036 1.634 5.807 1.00 0.00 C ATOM 2147 CE1 TYR B 41 13.897 -0.334 7.735 1.00 0.00 C ATOM 2148 CE2 TYR B 41 13.013 1.650 6.735 1.00 0.00 C ATOM 2149 CZ TYR B 41 12.947 0.665 7.697 1.00 0.00 C ATOM 2150 OH TYR B 41 11.929 0.678 8.623 1.00 0.00 O ATOM 0 H TYR B 41 19.205 1.321 4.515 1.00 0.00 H new ATOM 0 HA TYR B 41 17.397 0.530 6.522 1.00 0.00 H new ATOM 0 HB2 TYR B 41 16.084 1.544 4.218 1.00 0.00 H new ATOM 0 HB3 TYR B 41 15.970 -0.201 4.114 1.00 0.00 H new ATOM 0 HD1 TYR B 41 15.661 -1.124 6.840 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.083 2.409 5.056 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.843 -1.106 8.488 1.00 0.00 H new ATOM 0 HE2 TYR B 41 12.268 2.431 6.707 1.00 0.00 H new ATOM 0 HH TYR B 41 11.346 1.448 8.458 1.00 0.00 H new ATOM 2160 N LYS B 42 19.442 -0.772 4.723 1.00 0.00 N ATOM 2161 CA LYS B 42 20.188 -1.956 4.323 1.00 0.00 C ATOM 2162 C LYS B 42 21.659 -1.823 4.714 1.00 0.00 C ATOM 2163 O LYS B 42 22.219 -2.704 5.366 1.00 0.00 O ATOM 2164 CB LYS B 42 20.055 -2.182 2.814 1.00 0.00 C ATOM 2165 CG LYS B 42 21.008 -3.236 2.263 1.00 0.00 C ATOM 2166 CD LYS B 42 22.271 -2.607 1.695 1.00 0.00 C ATOM 2167 CE LYS B 42 23.213 -3.659 1.132 1.00 0.00 C ATOM 2168 NZ LYS B 42 22.607 -4.393 -0.012 1.00 0.00 N ATOM 0 H LYS B 42 19.993 0.087 4.734 1.00 0.00 H new ATOM 0 HA LYS B 42 19.772 -2.818 4.844 1.00 0.00 H new ATOM 0 HB2 LYS B 42 19.031 -2.479 2.590 1.00 0.00 H new ATOM 0 HB3 LYS B 42 20.234 -1.239 2.298 1.00 0.00 H new ATOM 0 HG2 LYS B 42 21.274 -3.936 3.055 1.00 0.00 H new ATOM 0 HG3 LYS B 42 20.505 -3.811 1.485 1.00 0.00 H new ATOM 0 HD2 LYS B 42 22.005 -1.898 0.911 1.00 0.00 H new ATOM 0 HD3 LYS B 42 22.780 -2.042 2.476 1.00 0.00 H new ATOM 0 HE2 LYS B 42 24.138 -3.182 0.808 1.00 0.00 H new ATOM 0 HE3 LYS B 42 23.478 -4.367 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 23.346 -4.925 -0.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 21.886 -5.053 0.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 22.165 -3.715 -0.664 1.00 0.00 H new ATOM 2182 N CYS B 43 22.277 -0.716 4.310 1.00 0.00 N ATOM 2183 CA CYS B 43 23.681 -0.470 4.619 1.00 0.00 C ATOM 2184 C CYS B 43 23.856 -0.101 6.090 1.00 0.00 C ATOM 2185 O CYS B 43 23.766 1.103 6.412 1.00 0.00 O ATOM 2186 CB CYS B 43 24.235 0.647 3.732 1.00 0.00 C ATOM 2187 SG CYS B 43 24.229 0.259 1.965 1.00 0.00 S ATOM 2188 OXT CYS B 43 24.080 -1.019 6.906 1.00 0.00 O ATOM 0 H CYS B 43 21.828 0.023 3.769 1.00 0.00 H new ATOM 0 HA CYS B 43 24.236 -1.387 4.423 1.00 0.00 H new ATOM 0 HB2 CYS B 43 23.649 1.551 3.896 1.00 0.00 H new ATOM 0 HB3 CYS B 43 25.257 0.869 4.041 1.00 0.00 H new ATOM 0 HG CYS B 43 24.713 1.264 1.298 1.00 0.00 H new TER 2194 CYS B 43