USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1100 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 36 ALY H2 : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD NoAdj-H: B 36 ALY H : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD Set 1.1: A 822 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 789 MET CE :methyl -125:sc= -11.7! (180deg=-17.6!) USER MOD Set 2.2: A 793 GLN : amide:sc= -5.74! C(o=-17!,f=-18!) USER MOD Set 3.1: A 784 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 786 LYS NZ :NH3+ 160:sc= -1.93! (180deg=-2.94!) USER MOD Set 4.1: A 773 MET CE :methyl -114:sc= -10.7! (180deg=-12.5!) USER MOD Set 4.2: A 782 TYR OH : rot -22:sc= -5.4! USER MOD Set 5.1: A 760 TYR OH : rot 165:sc= -0.365 USER MOD Set 5.2: A 798 ASN : amide:sc= -8.86! C(o=-9.2!,f=-16!) USER MOD Set 6.1: A 744 SER OG : rot -46:sc= 0.452 USER MOD Set 6.2: A 812 CYS SG : rot 105:sc= 0.681 USER MOD Set 7.1: A 729 TYR OH : rot 165:sc= 0.517 USER MOD Set 7.2: A 733 LYS NZ :NH3+ -162:sc= 0.559 (180deg=0) USER MOD Set 8.1: A 718 MET CE :methyl -120:sc= 0 (180deg=-0.000812) USER MOD Set 8.2: A 720 LYS NZ :NH3+ -139:sc= -0.0907 (180deg=-0.338) USER MOD Set 9.1: A 716 SER OG : rot 180:sc= -0.158 USER MOD Set 9.2: A 717 HIS : no HD1:sc= 0 K(o=-0.16,f=0.79) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 727 GLN : amide:sc= -2.12! K(o=-2.1!,f=-0.081) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 104:sc= 1.14 USER MOD Single : A 734 SER OG : rot 67:sc= 0.0553 USER MOD Single : A 737 GLN : amide:sc= -0.0908 K(o=-0.091,f=-1.4!) USER MOD Single : A 738 GLN : amide:sc= -7.15! C(o=-7.2!,f=-2.5!) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 SER OG : rot -24:sc= 0.132 USER MOD Single : A 742 HIS : no HD1:sc= -11! C(o=-11!,f=-20!) USER MOD Single : A 743 GLN : amide:sc= -0.0121 K(o=-0.012,f=-1.1) USER MOD Single : A 749 MET CE :methyl -142:sc= -4.01! (180deg=-6.68!) 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 141:sc= -8.5! (180deg=-12.7!) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 772 THR OG1 : rot -179:sc= -1.91 USER MOD Single : A 774 SER OG : rot -24:sc= 0.0996 USER MOD Single : A 778 LYS NZ :NH3+ -171:sc= -5.99! (180deg=-6.54!) USER MOD Single : A 779 ASN : amide:sc= -8.03! C(o=-8!,f=-3.7!) USER MOD Single : A 781 TYR OH : rot 180:sc= -1.28! USER MOD Single : A 785 LYS NZ :NH3+ 173:sc=-0.00394 (180deg=-0.0879) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 799 CYS SG : rot 152:sc= -11.6! USER MOD Single : A 800 LYS NZ :NH3+ -174:sc= -0.119 (180deg=-0.183) USER MOD Single : A 802 TYR OH : rot 44:sc= -4.46! USER MOD Single : A 803 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.67) USER MOD Single : A 807 SER OG : rot -165:sc= -1.32 USER MOD Single : A 809 TYR OH : rot 15:sc= -2.88! USER MOD Single : A 810 TYR OH : rot 132:sc= 0.0863 USER MOD Single : A 811 LYS NZ :NH3+ -120:sc= -1.05 (180deg=-2.81!) USER MOD Single : A 814 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.065) USER MOD Single : A 818 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.112) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 LYS NZ :NH3+ 136:sc= -0.085 (180deg=-0.511) USER MOD Single : B 31 SER OG : rot 28:sc= 0.0398 USER MOD Single : B 32 THR OG1 : rot 38:sc= 0.705 USER MOD Single : B 37 LYS NZ :NH3+ -126:sc= 0.175 (180deg=0) USER MOD Single : B 39 HIS : no HE2:sc= -5! C(o=-5!,f=-8.9!) USER MOD Single : B 41 TYR OH : rot 152:sc= 0.156 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 CYS SG : rot 41:sc= -0.323 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -23.326 16.264 0.076 1.00 0.00 N ATOM 2 CA GLY A 715 -22.286 17.311 -0.115 1.00 0.00 C ATOM 3 C GLY A 715 -21.393 17.470 1.099 1.00 0.00 C ATOM 4 O GLY A 715 -20.171 17.554 0.974 1.00 0.00 O ATOM 0 HA2 GLY A 715 -21.675 17.058 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -22.769 18.263 -0.334 1.00 0.00 H new ATOM 10 N SER A 716 -22.005 17.510 2.279 1.00 0.00 N ATOM 11 CA SER A 716 -21.260 17.660 3.524 1.00 0.00 C ATOM 12 C SER A 716 -20.663 16.328 3.964 1.00 0.00 C ATOM 13 O SER A 716 -19.455 16.219 4.181 1.00 0.00 O ATOM 14 CB SER A 716 -22.167 18.215 4.623 1.00 0.00 C ATOM 15 OG SER A 716 -23.286 17.371 4.835 1.00 0.00 O ATOM 0 H SER A 716 -23.016 17.441 2.399 1.00 0.00 H new ATOM 0 HA SER A 716 -20.445 18.362 3.348 1.00 0.00 H new ATOM 0 HB2 SER A 716 -21.602 18.315 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 716 -22.507 19.213 4.348 1.00 0.00 H new ATOM 0 HG SER A 716 -23.849 17.747 5.543 1.00 0.00 H new ATOM 21 N HIS A 717 -21.515 15.316 4.094 1.00 0.00 N ATOM 22 CA HIS A 717 -21.070 13.990 4.507 1.00 0.00 C ATOM 23 C HIS A 717 -22.078 12.922 4.094 1.00 0.00 C ATOM 24 O HIS A 717 -23.269 13.199 3.957 1.00 0.00 O ATOM 25 CB HIS A 717 -20.859 13.949 6.023 1.00 0.00 C ATOM 26 CG HIS A 717 -22.106 14.214 6.807 1.00 0.00 C ATOM 27 ND1 HIS A 717 -22.918 13.210 7.290 1.00 0.00 N ATOM 28 CD2 HIS A 717 -22.679 15.379 7.194 1.00 0.00 C ATOM 29 CE1 HIS A 717 -23.938 13.744 7.939 1.00 0.00 C ATOM 30 NE2 HIS A 717 -23.815 15.058 7.896 1.00 0.00 N ATOM 0 H HIS A 717 -22.517 15.389 3.919 1.00 0.00 H new ATOM 0 HA HIS A 717 -20.123 13.782 4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -20.466 12.971 6.301 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -20.104 14.686 6.297 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -22.311 16.374 6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -24.736 13.199 8.422 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -24.460 15.727 8.317 1.00 0.00 H new ATOM 39 N MET A 718 -21.588 11.703 3.896 1.00 0.00 N ATOM 40 CA MET A 718 -22.442 10.588 3.504 1.00 0.00 C ATOM 41 C MET A 718 -21.703 9.261 3.648 1.00 0.00 C ATOM 42 O MET A 718 -20.596 9.094 3.132 1.00 0.00 O ATOM 43 CB MET A 718 -22.925 10.767 2.062 1.00 0.00 C ATOM 44 CG MET A 718 -21.799 10.934 1.055 1.00 0.00 C ATOM 45 SD MET A 718 -22.404 11.143 -0.631 1.00 0.00 S ATOM 46 CE MET A 718 -20.862 11.338 -1.524 1.00 0.00 C ATOM 0 H MET A 718 -20.602 11.462 4.001 1.00 0.00 H new ATOM 0 HA MET A 718 -23.307 10.574 4.167 1.00 0.00 H new ATOM 0 HB2 MET A 718 -23.527 9.903 1.780 1.00 0.00 H new ATOM 0 HB3 MET A 718 -23.577 11.639 2.012 1.00 0.00 H new ATOM 0 HG2 MET A 718 -21.195 11.799 1.330 1.00 0.00 H new ATOM 0 HG3 MET A 718 -21.146 10.062 1.098 1.00 0.00 H new ATOM 0 HE1 MET A 718 -20.850 12.308 -2.021 1.00 0.00 H new ATOM 0 HE2 MET A 718 -20.027 11.278 -0.826 1.00 0.00 H new ATOM 0 HE3 MET A 718 -20.770 10.547 -2.268 1.00 0.00 H new ATOM 56 N SER A 719 -22.320 8.321 4.356 1.00 0.00 N ATOM 57 CA SER A 719 -21.720 7.009 4.573 1.00 0.00 C ATOM 58 C SER A 719 -22.008 6.077 3.401 1.00 0.00 C ATOM 59 O SER A 719 -23.127 5.585 3.249 1.00 0.00 O ATOM 60 CB SER A 719 -22.248 6.393 5.869 1.00 0.00 C ATOM 61 OG SER A 719 -21.913 7.194 6.990 1.00 0.00 O ATOM 0 H SER A 719 -23.235 8.443 4.789 1.00 0.00 H new ATOM 0 HA SER A 719 -20.641 7.140 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 719 -23.331 6.283 5.808 1.00 0.00 H new ATOM 0 HB3 SER A 719 -21.832 5.393 5.996 1.00 0.00 H new ATOM 0 HG SER A 719 -22.264 6.779 7.805 1.00 0.00 H new ATOM 67 N LYS A 720 -20.994 5.837 2.577 1.00 0.00 N ATOM 68 CA LYS A 720 -21.142 4.959 1.422 1.00 0.00 C ATOM 69 C LYS A 720 -20.636 3.555 1.736 1.00 0.00 C ATOM 70 O LYS A 720 -21.417 2.680 2.112 1.00 0.00 O ATOM 71 CB LYS A 720 -20.404 5.529 0.219 1.00 0.00 C ATOM 72 CG LYS A 720 -20.972 6.851 -0.276 1.00 0.00 C ATOM 73 CD LYS A 720 -20.242 7.350 -1.515 1.00 0.00 C ATOM 74 CE LYS A 720 -18.794 7.700 -1.211 1.00 0.00 C ATOM 75 NZ LYS A 720 -18.687 8.776 -0.187 1.00 0.00 N ATOM 0 H LYS A 720 -20.062 6.237 2.687 1.00 0.00 H new ATOM 0 HA LYS A 720 -22.203 4.894 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -19.355 5.669 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -20.436 4.803 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -22.031 6.730 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -20.898 7.597 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -20.276 6.585 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -20.753 8.228 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -18.271 6.810 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -18.298 8.020 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -17.934 9.440 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -19.591 9.286 -0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -18.461 8.355 0.737 1.00 0.00 H new ATOM 89 N GLU A 721 -19.327 3.351 1.588 1.00 0.00 N ATOM 90 CA GLU A 721 -18.711 2.052 1.856 1.00 0.00 C ATOM 91 C GLU A 721 -19.331 0.964 0.982 1.00 0.00 C ATOM 92 O GLU A 721 -20.462 0.533 1.205 1.00 0.00 O ATOM 93 CB GLU A 721 -18.868 1.682 3.330 1.00 0.00 C ATOM 94 CG GLU A 721 -17.869 0.645 3.814 1.00 0.00 C ATOM 95 CD GLU A 721 -18.065 0.286 5.274 1.00 0.00 C ATOM 96 OE1 GLU A 721 -17.481 0.974 6.139 1.00 0.00 O ATOM 97 OE2 GLU A 721 -18.801 -0.684 5.555 1.00 0.00 O ATOM 0 H GLU A 721 -18.672 4.071 1.283 1.00 0.00 H new ATOM 0 HA GLU A 721 -17.650 2.128 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -18.763 2.583 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -19.877 1.304 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -17.962 -0.255 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -16.858 1.025 3.669 1.00 0.00 H new ATOM 104 N PRO A 722 -18.574 0.508 -0.020 1.00 0.00 N ATOM 105 CA PRO A 722 -18.994 -0.534 -0.963 1.00 0.00 C ATOM 106 C PRO A 722 -19.431 -1.810 -0.264 1.00 0.00 C ATOM 107 O PRO A 722 -20.383 -2.468 -0.684 1.00 0.00 O ATOM 108 CB PRO A 722 -17.710 -0.780 -1.741 1.00 0.00 C ATOM 109 CG PRO A 722 -17.068 0.527 -1.719 1.00 0.00 C ATOM 110 CD PRO A 722 -17.218 0.958 -0.328 1.00 0.00 C ATOM 0 HA PRO A 722 -19.852 -0.237 -1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -17.091 -1.543 -1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -17.911 -1.116 -2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -16.019 0.464 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -17.548 1.222 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.476 0.498 0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -17.111 2.037 -0.221 1.00 0.00 H new ATOM 118 N ARG A 723 -18.721 -2.153 0.811 1.00 0.00 N ATOM 119 CA ARG A 723 -19.005 -3.364 1.563 1.00 0.00 C ATOM 120 C ARG A 723 -18.919 -4.571 0.642 1.00 0.00 C ATOM 121 O ARG A 723 -18.585 -4.431 -0.532 1.00 0.00 O ATOM 122 CB ARG A 723 -20.390 -3.283 2.208 1.00 0.00 C ATOM 123 CG ARG A 723 -20.356 -3.226 3.728 1.00 0.00 C ATOM 124 CD ARG A 723 -19.824 -4.519 4.326 1.00 0.00 C ATOM 125 NE ARG A 723 -19.785 -4.472 5.784 1.00 0.00 N ATOM 126 CZ ARG A 723 -19.284 -5.446 6.540 1.00 0.00 C ATOM 127 NH1 ARG A 723 -18.779 -6.535 5.978 1.00 0.00 N ATOM 128 NH2 ARG A 723 -19.287 -5.328 7.861 1.00 0.00 N ATOM 0 H ARG A 723 -17.944 -1.604 1.177 1.00 0.00 H new ATOM 0 HA ARG A 723 -18.266 -3.469 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -20.905 -2.399 1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.976 -4.149 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -19.730 -2.393 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -21.360 -3.035 4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -20.452 -5.351 4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -18.822 -4.710 3.943 1.00 0.00 H new ATOM 0 HE ARG A 723 -20.163 -3.647 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -18.773 -6.629 4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -18.396 -7.279 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -19.673 -4.491 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -18.903 -6.074 8.441 1.00 0.00 H new ATOM 142 N ASP A 724 -19.204 -5.753 1.173 1.00 0.00 N ATOM 143 CA ASP A 724 -19.162 -6.980 0.382 1.00 0.00 C ATOM 144 C ASP A 724 -17.771 -7.235 -0.205 1.00 0.00 C ATOM 145 O ASP A 724 -17.003 -6.308 -0.456 1.00 0.00 O ATOM 146 CB ASP A 724 -20.191 -6.918 -0.743 1.00 0.00 C ATOM 147 CG ASP A 724 -21.614 -7.025 -0.231 1.00 0.00 C ATOM 148 OD1 ASP A 724 -22.086 -6.068 0.418 1.00 0.00 O ATOM 149 OD2 ASP A 724 -22.256 -8.069 -0.475 1.00 0.00 O ATOM 0 H ASP A 724 -19.467 -5.890 2.149 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.400 -7.806 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -20.073 -5.981 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.001 -7.725 -1.451 1.00 0.00 H new ATOM 154 N PRO A 725 -17.435 -8.517 -0.423 1.00 0.00 N ATOM 155 CA PRO A 725 -16.152 -8.934 -0.966 1.00 0.00 C ATOM 156 C PRO A 725 -16.091 -8.807 -2.483 1.00 0.00 C ATOM 157 O PRO A 725 -15.011 -8.726 -3.059 1.00 0.00 O ATOM 158 CB PRO A 725 -16.032 -10.406 -0.533 1.00 0.00 C ATOM 159 CG PRO A 725 -17.296 -10.724 0.202 1.00 0.00 C ATOM 160 CD PRO A 725 -18.291 -9.669 -0.187 1.00 0.00 C ATOM 0 HA PRO A 725 -15.337 -8.309 -0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -15.909 -11.058 -1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.161 -10.555 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -17.660 -11.717 -0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.130 -10.722 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -18.854 -9.948 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -19.017 -9.482 0.604 1.00 0.00 H new ATOM 168 N ASP A 726 -17.260 -8.799 -3.124 1.00 0.00 N ATOM 169 CA ASP A 726 -17.337 -8.683 -4.574 1.00 0.00 C ATOM 170 C ASP A 726 -17.472 -7.221 -4.947 1.00 0.00 C ATOM 171 O ASP A 726 -16.848 -6.745 -5.897 1.00 0.00 O ATOM 172 CB ASP A 726 -18.523 -9.482 -5.119 1.00 0.00 C ATOM 173 CG ASP A 726 -18.552 -9.513 -6.634 1.00 0.00 C ATOM 174 OD1 ASP A 726 -19.123 -8.580 -7.236 1.00 0.00 O ATOM 175 OD2 ASP A 726 -18.003 -10.470 -7.219 1.00 0.00 O ATOM 0 H ASP A 726 -18.165 -8.872 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.427 -9.091 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -18.476 -10.502 -4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -19.451 -9.047 -4.749 1.00 0.00 H new ATOM 180 N GLN A 727 -18.301 -6.515 -4.188 1.00 0.00 N ATOM 181 CA GLN A 727 -18.497 -5.095 -4.395 1.00 0.00 C ATOM 182 C GLN A 727 -17.147 -4.405 -4.336 1.00 0.00 C ATOM 183 O GLN A 727 -16.803 -3.598 -5.194 1.00 0.00 O ATOM 184 CB GLN A 727 -19.439 -4.544 -3.329 1.00 0.00 C ATOM 185 CG GLN A 727 -20.895 -4.817 -3.645 1.00 0.00 C ATOM 186 CD GLN A 727 -21.843 -3.893 -2.907 1.00 0.00 C ATOM 187 OE1 GLN A 727 -22.189 -2.819 -3.398 1.00 0.00 O ATOM 188 NE2 GLN A 727 -22.269 -4.307 -1.721 1.00 0.00 N ATOM 0 H GLN A 727 -18.848 -6.909 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.948 -4.913 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.190 -4.987 -2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.286 -3.469 -3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.055 -4.711 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -21.130 -5.850 -3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -21.956 -5.205 -1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -22.909 -3.727 -1.178 1.00 0.00 H new ATOM 197 N LEU A 728 -16.379 -4.777 -3.320 1.00 0.00 N ATOM 198 CA LEU A 728 -15.041 -4.253 -3.104 1.00 0.00 C ATOM 199 C LEU A 728 -14.077 -4.837 -4.112 1.00 0.00 C ATOM 200 O LEU A 728 -13.374 -4.109 -4.788 1.00 0.00 O ATOM 201 CB LEU A 728 -14.622 -4.588 -1.688 1.00 0.00 C ATOM 202 CG LEU A 728 -15.258 -3.682 -0.656 1.00 0.00 C ATOM 203 CD1 LEU A 728 -14.977 -4.183 0.746 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.757 -2.270 -0.861 1.00 0.00 C ATOM 0 H LEU A 728 -16.672 -5.457 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.034 -3.171 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.889 -5.622 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.537 -4.516 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.341 -3.687 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.444 -3.516 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.384 -5.187 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -13.900 -4.206 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -15.211 -1.612 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.673 -2.249 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -15.025 -1.930 -1.861 1.00 0.00 H new ATOM 216 N TYR A 729 -14.073 -6.151 -4.244 1.00 0.00 N ATOM 217 CA TYR A 729 -13.191 -6.801 -5.196 1.00 0.00 C ATOM 218 C TYR A 729 -13.058 -5.972 -6.450 1.00 0.00 C ATOM 219 O TYR A 729 -11.976 -5.484 -6.749 1.00 0.00 O ATOM 220 CB TYR A 729 -13.750 -8.178 -5.538 1.00 0.00 C ATOM 221 CG TYR A 729 -13.515 -8.626 -6.956 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.239 -8.808 -7.389 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.556 -8.890 -7.835 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.954 -9.239 -8.660 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.298 -9.323 -9.125 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.989 -9.497 -9.534 1.00 0.00 C ATOM 227 OH TYR A 729 -12.719 -9.932 -10.812 1.00 0.00 O ATOM 0 H TYR A 729 -14.666 -6.785 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.202 -6.906 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.308 -8.911 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.823 -8.176 -5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.423 -8.607 -6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.577 -8.756 -7.510 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.929 -9.375 -8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -15.112 -9.523 -9.806 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.536 -10.293 -11.214 1.00 0.00 H new ATOM 237 N SER A 730 -14.148 -5.752 -7.154 1.00 0.00 N ATOM 238 CA SER A 730 -14.043 -4.987 -8.367 1.00 0.00 C ATOM 239 C SER A 730 -14.091 -3.488 -8.135 1.00 0.00 C ATOM 240 O SER A 730 -13.696 -2.718 -9.011 1.00 0.00 O ATOM 241 CB SER A 730 -14.982 -5.463 -9.446 1.00 0.00 C ATOM 242 OG SER A 730 -15.553 -4.379 -10.158 1.00 0.00 O ATOM 0 H SER A 730 -15.084 -6.081 -6.915 1.00 0.00 H new ATOM 0 HA SER A 730 -13.042 -5.180 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.443 -6.110 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.775 -6.064 -9.000 1.00 0.00 H new ATOM 0 HG SER A 730 -16.155 -4.723 -10.851 1.00 0.00 H new ATOM 248 N THR A 731 -14.576 -3.054 -6.971 1.00 0.00 N ATOM 249 CA THR A 731 -14.564 -1.629 -6.680 1.00 0.00 C ATOM 250 C THR A 731 -13.123 -1.260 -6.693 1.00 0.00 C ATOM 251 O THR A 731 -12.642 -0.488 -7.518 1.00 0.00 O ATOM 252 CB THR A 731 -15.145 -1.292 -5.288 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.567 -1.154 -5.374 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.544 -0.002 -4.725 1.00 0.00 C ATOM 0 H THR A 731 -14.968 -3.648 -6.240 1.00 0.00 H new ATOM 0 HA THR A 731 -15.176 -1.091 -7.404 1.00 0.00 H new ATOM 0 HB THR A 731 -14.890 -2.111 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 731 -16.996 -1.953 -5.003 1.00 0.00 H new ATOM 0 HG21 THR A 731 -14.976 0.203 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.464 -0.115 -4.629 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.763 0.826 -5.399 1.00 0.00 H new ATOM 262 N LEU A 732 -12.457 -1.914 -5.777 1.00 0.00 N ATOM 263 CA LEU A 732 -11.050 -1.812 -5.587 1.00 0.00 C ATOM 264 C LEU A 732 -10.324 -2.183 -6.873 1.00 0.00 C ATOM 265 O LEU A 732 -9.250 -1.664 -7.158 1.00 0.00 O ATOM 266 CB LEU A 732 -10.650 -2.763 -4.483 1.00 0.00 C ATOM 267 CG LEU A 732 -11.535 -2.811 -3.237 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.372 -4.148 -2.574 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.168 -1.718 -2.270 1.00 0.00 C ATOM 0 H LEU A 732 -12.906 -2.555 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.783 -0.790 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.607 -3.768 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.639 -2.506 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.572 -2.663 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.000 -4.192 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.669 -4.936 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.329 -4.288 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.813 -1.776 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.129 -1.837 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.296 -0.748 -2.751 1.00 0.00 H new ATOM 281 N LYS A 733 -10.914 -3.094 -7.651 1.00 0.00 N ATOM 282 CA LYS A 733 -10.311 -3.510 -8.915 1.00 0.00 C ATOM 283 C LYS A 733 -10.088 -2.287 -9.771 1.00 0.00 C ATOM 284 O LYS A 733 -9.173 -2.236 -10.583 1.00 0.00 O ATOM 285 CB LYS A 733 -11.202 -4.517 -9.649 1.00 0.00 C ATOM 286 CG LYS A 733 -10.657 -4.988 -10.984 1.00 0.00 C ATOM 287 CD LYS A 733 -11.083 -6.414 -11.292 1.00 0.00 C ATOM 288 CE LYS A 733 -12.544 -6.495 -11.673 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.804 -7.575 -12.665 1.00 0.00 N ATOM 0 H LYS A 733 -11.798 -3.552 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.360 -4.002 -8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.353 -5.385 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.181 -4.066 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -11.007 -4.325 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.569 -4.927 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.473 -6.808 -12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.899 -7.044 -10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -13.142 -6.672 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -12.864 -5.539 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.723 -7.411 -13.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -12.052 -7.574 -13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -12.819 -8.495 -12.181 1.00 0.00 H new ATOM 303 N SER A 734 -10.918 -1.284 -9.537 1.00 0.00 N ATOM 304 CA SER A 734 -10.836 -0.034 -10.280 1.00 0.00 C ATOM 305 C SER A 734 -9.842 0.887 -9.605 1.00 0.00 C ATOM 306 O SER A 734 -8.964 1.439 -10.267 1.00 0.00 O ATOM 307 CB SER A 734 -12.207 0.637 -10.377 1.00 0.00 C ATOM 308 OG SER A 734 -13.147 -0.212 -11.011 1.00 0.00 O ATOM 0 H SER A 734 -11.659 -1.310 -8.837 1.00 0.00 H new ATOM 0 HA SER A 734 -10.500 -0.249 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.561 0.895 -9.379 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.120 1.569 -10.935 1.00 0.00 H new ATOM 0 HG SER A 734 -13.322 -0.989 -10.441 1.00 0.00 H new ATOM 314 N ILE A 735 -9.984 1.070 -8.288 1.00 0.00 N ATOM 315 CA ILE A 735 -9.040 1.898 -7.571 1.00 0.00 C ATOM 316 C ILE A 735 -7.654 1.409 -7.921 1.00 0.00 C ATOM 317 O ILE A 735 -6.889 2.121 -8.547 1.00 0.00 O ATOM 318 CB ILE A 735 -9.258 1.885 -6.047 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.640 2.436 -5.758 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.205 2.753 -5.353 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.712 1.406 -5.782 1.00 0.00 C ATOM 0 H ILE A 735 -10.727 0.663 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.181 2.936 -7.872 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.168 0.866 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.632 2.917 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.874 3.208 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.371 2.735 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.211 2.365 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.283 3.778 -5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.672 1.875 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.748 0.941 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.503 0.645 -5.030 1.00 0.00 H new ATOM 333 N LEU A 736 -7.372 0.160 -7.568 1.00 0.00 N ATOM 334 CA LEU A 736 -6.095 -0.464 -7.886 1.00 0.00 C ATOM 335 C LEU A 736 -5.697 -0.126 -9.308 1.00 0.00 C ATOM 336 O LEU A 736 -4.650 0.460 -9.557 1.00 0.00 O ATOM 337 CB LEU A 736 -6.205 -1.983 -7.752 1.00 0.00 C ATOM 338 CG LEU A 736 -5.158 -2.620 -6.865 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.407 -4.090 -6.829 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.763 -2.284 -7.320 1.00 0.00 C ATOM 0 H LEU A 736 -8.017 -0.444 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.343 -0.089 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.192 -2.228 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.138 -2.427 -8.745 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.237 -2.221 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.662 -4.570 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.403 -4.281 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.338 -4.495 -7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.040 -2.760 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.615 -2.645 -8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.622 -1.203 -7.294 1.00 0.00 H new ATOM 352 N GLN A 737 -6.562 -0.518 -10.225 1.00 0.00 N ATOM 353 CA GLN A 737 -6.366 -0.272 -11.649 1.00 0.00 C ATOM 354 C GLN A 737 -5.926 1.165 -11.913 1.00 0.00 C ATOM 355 O GLN A 737 -5.185 1.441 -12.856 1.00 0.00 O ATOM 356 CB GLN A 737 -7.676 -0.560 -12.390 1.00 0.00 C ATOM 357 CG GLN A 737 -7.747 -1.943 -13.002 1.00 0.00 C ATOM 358 CD GLN A 737 -8.813 -2.056 -14.074 1.00 0.00 C ATOM 359 OE1 GLN A 737 -9.133 -1.081 -14.754 1.00 0.00 O ATOM 360 NE2 GLN A 737 -9.371 -3.251 -14.229 1.00 0.00 N ATOM 0 H GLN A 737 -7.424 -1.018 -10.007 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.576 -0.931 -12.009 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.508 -0.438 -11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.806 0.182 -13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.778 -2.196 -13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -7.948 -2.673 -12.218 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -9.075 -4.032 -13.643 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -10.095 -3.388 -14.934 1.00 0.00 H new ATOM 369 N GLN A 738 -6.389 2.066 -11.064 1.00 0.00 N ATOM 370 CA GLN A 738 -6.085 3.488 -11.182 1.00 0.00 C ATOM 371 C GLN A 738 -4.766 3.866 -10.493 1.00 0.00 C ATOM 372 O GLN A 738 -3.868 4.426 -11.123 1.00 0.00 O ATOM 373 CB GLN A 738 -7.244 4.295 -10.598 1.00 0.00 C ATOM 374 CG GLN A 738 -8.490 4.243 -11.465 1.00 0.00 C ATOM 375 CD GLN A 738 -9.728 4.773 -10.766 1.00 0.00 C ATOM 376 OE1 GLN A 738 -10.602 5.370 -11.395 1.00 0.00 O ATOM 377 NE2 GLN A 738 -9.818 4.542 -9.462 1.00 0.00 N ATOM 0 H GLN A 738 -6.988 1.835 -10.271 1.00 0.00 H new ATOM 0 HA GLN A 738 -5.960 3.721 -12.240 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.482 3.915 -9.604 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.934 5.333 -10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.318 4.822 -12.373 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.668 3.213 -11.773 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -9.070 4.043 -8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -10.635 4.863 -8.942 1.00 0.00 H new ATOM 386 N VAL A 739 -4.662 3.559 -9.200 1.00 0.00 N ATOM 387 CA VAL A 739 -3.487 3.857 -8.407 1.00 0.00 C ATOM 388 C VAL A 739 -2.277 3.238 -9.060 1.00 0.00 C ATOM 389 O VAL A 739 -1.160 3.721 -8.930 1.00 0.00 O ATOM 390 CB VAL A 739 -3.636 3.290 -6.975 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.079 2.998 -6.616 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.783 2.058 -6.818 1.00 0.00 C ATOM 0 H VAL A 739 -5.402 3.092 -8.676 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.371 4.939 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.291 4.056 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.129 2.602 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.662 3.917 -6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.486 2.264 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.894 1.665 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.099 1.303 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.738 2.314 -6.996 1.00 0.00 H new ATOM 402 N LYS A 740 -2.528 2.139 -9.736 1.00 0.00 N ATOM 403 CA LYS A 740 -1.498 1.423 -10.433 1.00 0.00 C ATOM 404 C LYS A 740 -1.232 2.125 -11.747 1.00 0.00 C ATOM 405 O LYS A 740 -0.101 2.465 -12.052 1.00 0.00 O ATOM 406 CB LYS A 740 -1.942 -0.022 -10.621 1.00 0.00 C ATOM 407 CG LYS A 740 -1.213 -0.783 -11.714 1.00 0.00 C ATOM 408 CD LYS A 740 -2.199 -1.513 -12.613 1.00 0.00 C ATOM 409 CE LYS A 740 -2.887 -2.659 -11.883 1.00 0.00 C ATOM 410 NZ LYS A 740 -3.853 -3.375 -12.762 1.00 0.00 N ATOM 0 H LYS A 740 -3.455 1.721 -9.814 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.566 1.407 -9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -1.807 -0.553 -9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -3.009 -0.032 -10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -0.615 -0.092 -12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -0.523 -1.498 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -2.949 -0.810 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -1.676 -1.901 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -2.137 -3.361 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -3.410 -2.271 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -4.301 -4.148 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -4.584 -2.711 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -3.350 -3.767 -13.584 1.00 0.00 H new ATOM 424 N SER A 741 -2.287 2.398 -12.500 1.00 0.00 N ATOM 425 CA SER A 741 -2.131 3.105 -13.760 1.00 0.00 C ATOM 426 C SER A 741 -1.441 4.442 -13.510 1.00 0.00 C ATOM 427 O SER A 741 -1.010 5.124 -14.441 1.00 0.00 O ATOM 428 CB SER A 741 -3.487 3.332 -14.420 1.00 0.00 C ATOM 429 OG SER A 741 -3.341 3.920 -15.701 1.00 0.00 O ATOM 0 H SER A 741 -3.247 2.145 -12.265 1.00 0.00 H new ATOM 0 HA SER A 741 -1.521 2.500 -14.431 1.00 0.00 H new ATOM 0 HB2 SER A 741 -4.014 2.382 -14.511 1.00 0.00 H new ATOM 0 HB3 SER A 741 -4.098 3.977 -13.789 1.00 0.00 H new ATOM 0 HG SER A 741 -2.491 4.405 -15.743 1.00 0.00 H new ATOM 435 N HIS A 742 -1.345 4.800 -12.230 1.00 0.00 N ATOM 436 CA HIS A 742 -0.715 6.040 -11.806 1.00 0.00 C ATOM 437 C HIS A 742 0.756 6.095 -12.228 1.00 0.00 C ATOM 438 O HIS A 742 1.469 5.093 -12.190 1.00 0.00 O ATOM 439 CB HIS A 742 -0.843 6.192 -10.282 1.00 0.00 C ATOM 440 CG HIS A 742 -0.428 7.538 -9.772 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.516 8.329 -10.385 1.00 0.00 N ATOM 442 CD2 HIS A 742 -0.853 8.236 -8.705 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.654 9.452 -9.717 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.169 9.426 -8.690 1.00 0.00 N ATOM 0 H HIS A 742 -1.704 4.235 -11.461 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.227 6.868 -12.296 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.878 6.008 -9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.236 5.427 -9.798 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.597 7.918 -7.990 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.327 10.258 -9.968 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.280 10.167 -7.998 1.00 0.00 H new ATOM 453 N GLN A 743 1.188 7.283 -12.641 1.00 0.00 N ATOM 454 CA GLN A 743 2.559 7.527 -13.066 1.00 0.00 C ATOM 455 C GLN A 743 3.551 7.367 -11.906 1.00 0.00 C ATOM 456 O GLN A 743 4.763 7.358 -12.112 1.00 0.00 O ATOM 457 CB GLN A 743 2.653 8.935 -13.637 1.00 0.00 C ATOM 458 CG GLN A 743 3.993 9.225 -14.261 1.00 0.00 C ATOM 459 CD GLN A 743 4.196 10.695 -14.572 1.00 0.00 C ATOM 460 OE1 GLN A 743 3.656 11.567 -13.890 1.00 0.00 O ATOM 461 NE2 GLN A 743 4.978 10.979 -15.607 1.00 0.00 N ATOM 0 H GLN A 743 0.591 8.108 -12.690 1.00 0.00 H new ATOM 0 HA GLN A 743 2.822 6.790 -13.825 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.872 9.071 -14.385 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.463 9.657 -12.843 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.782 8.890 -13.587 1.00 0.00 H new ATOM 0 HG3 GLN A 743 4.092 8.648 -15.180 1.00 0.00 H new ATOM 0 HE21 GLN A 743 5.406 10.225 -16.145 1.00 0.00 H new ATOM 0 HE22 GLN A 743 5.151 11.951 -15.864 1.00 0.00 H new ATOM 470 N SER A 744 3.027 7.255 -10.694 1.00 0.00 N ATOM 471 CA SER A 744 3.854 7.085 -9.495 1.00 0.00 C ATOM 472 C SER A 744 3.745 5.670 -8.987 1.00 0.00 C ATOM 473 O SER A 744 4.167 5.350 -7.876 1.00 0.00 O ATOM 474 CB SER A 744 3.407 8.054 -8.395 1.00 0.00 C ATOM 475 OG SER A 744 4.044 9.313 -8.525 1.00 0.00 O ATOM 0 H SER A 744 2.024 7.278 -10.508 1.00 0.00 H new ATOM 0 HA SER A 744 4.890 7.298 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.326 8.185 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.635 7.628 -7.418 1.00 0.00 H new ATOM 0 HG SER A 744 5.002 9.180 -8.686 1.00 0.00 H new ATOM 481 N ALA A 745 3.171 4.832 -9.814 1.00 0.00 N ATOM 482 CA ALA A 745 2.943 3.454 -9.461 1.00 0.00 C ATOM 483 C ALA A 745 3.948 2.481 -10.069 1.00 0.00 C ATOM 484 O ALA A 745 3.898 1.300 -9.761 1.00 0.00 O ATOM 485 CB ALA A 745 1.540 3.090 -9.912 1.00 0.00 C ATOM 0 H ALA A 745 2.850 5.085 -10.748 1.00 0.00 H new ATOM 0 HA ALA A 745 3.066 3.364 -8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.335 2.050 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.818 3.735 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.458 3.224 -10.991 1.00 0.00 H new ATOM 491 N TRP A 746 4.862 2.943 -10.913 1.00 0.00 N ATOM 492 CA TRP A 746 5.801 2.014 -11.539 1.00 0.00 C ATOM 493 C TRP A 746 6.692 1.257 -10.537 1.00 0.00 C ATOM 494 O TRP A 746 7.009 0.092 -10.780 1.00 0.00 O ATOM 495 CB TRP A 746 6.633 2.677 -12.633 1.00 0.00 C ATOM 496 CG TRP A 746 7.198 4.005 -12.277 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.611 5.219 -12.464 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.470 4.254 -11.682 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.455 6.217 -12.043 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.601 5.646 -11.554 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.513 3.431 -11.247 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.734 6.235 -11.015 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.636 4.017 -10.704 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.737 5.406 -10.595 1.00 0.00 C ATOM 0 H TRP A 746 4.975 3.922 -11.175 1.00 0.00 H new ATOM 0 HA TRP A 746 5.173 1.259 -12.012 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.453 2.010 -12.899 1.00 0.00 H new ATOM 0 HB3 TRP A 746 6.012 2.790 -13.522 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.627 5.374 -12.882 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.261 7.217 -12.087 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.440 2.357 -11.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 9.821 7.308 -10.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.448 3.395 -10.358 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.631 5.836 -10.168 1.00 0.00 H new ATOM 515 N PRO A 747 7.123 1.862 -9.401 1.00 0.00 N ATOM 516 CA PRO A 747 7.942 1.142 -8.429 1.00 0.00 C ATOM 517 C PRO A 747 7.115 0.106 -7.698 1.00 0.00 C ATOM 518 O PRO A 747 7.646 -0.809 -7.072 1.00 0.00 O ATOM 519 CB PRO A 747 8.423 2.214 -7.444 1.00 0.00 C ATOM 520 CG PRO A 747 7.886 3.518 -7.922 1.00 0.00 C ATOM 521 CD PRO A 747 6.852 3.241 -8.969 1.00 0.00 C ATOM 0 HA PRO A 747 8.767 0.614 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 747 8.069 1.998 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.512 2.238 -7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.449 4.076 -7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.688 4.132 -8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.844 3.340 -8.567 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.933 3.940 -9.801 1.00 0.00 H new ATOM 529 N PHE A 748 5.801 0.251 -7.809 1.00 0.00 N ATOM 530 CA PHE A 748 4.873 -0.637 -7.135 1.00 0.00 C ATOM 531 C PHE A 748 4.106 -1.495 -8.136 1.00 0.00 C ATOM 532 O PHE A 748 3.479 -2.476 -7.773 1.00 0.00 O ATOM 533 CB PHE A 748 3.902 0.191 -6.288 1.00 0.00 C ATOM 534 CG PHE A 748 4.516 1.411 -5.677 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.802 1.385 -5.220 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.809 2.590 -5.586 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.388 2.501 -4.676 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.394 3.720 -5.041 1.00 0.00 C ATOM 539 CZ PHE A 748 5.681 3.669 -4.589 1.00 0.00 C ATOM 0 H PHE A 748 5.355 0.981 -8.364 1.00 0.00 H new ATOM 0 HA PHE A 748 5.438 -1.309 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 748 3.060 0.493 -6.910 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.501 -0.438 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.370 0.469 -5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.790 2.633 -5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.406 2.457 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.833 4.640 -4.974 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.140 4.549 -4.164 1.00 0.00 H new ATOM 549 N MET A 749 4.170 -1.110 -9.404 1.00 0.00 N ATOM 550 CA MET A 749 3.457 -1.805 -10.476 1.00 0.00 C ATOM 551 C MET A 749 3.548 -3.308 -10.349 1.00 0.00 C ATOM 552 O MET A 749 2.612 -4.032 -10.683 1.00 0.00 O ATOM 553 CB MET A 749 4.022 -1.367 -11.811 1.00 0.00 C ATOM 554 CG MET A 749 3.320 -0.162 -12.347 1.00 0.00 C ATOM 555 SD MET A 749 2.052 -0.585 -13.542 1.00 0.00 S ATOM 556 CE MET A 749 1.361 1.035 -13.727 1.00 0.00 C ATOM 0 H MET A 749 4.716 -0.309 -9.721 1.00 0.00 H new ATOM 0 HA MET A 749 2.402 -1.541 -10.402 1.00 0.00 H new ATOM 0 HB2 MET A 749 5.084 -1.149 -11.701 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.937 -2.185 -12.527 1.00 0.00 H new ATOM 0 HG2 MET A 749 2.869 0.389 -11.522 1.00 0.00 H new ATOM 0 HG3 MET A 749 4.048 0.502 -12.813 1.00 0.00 H new ATOM 0 HE1 MET A 749 0.278 0.959 -13.827 1.00 0.00 H new ATOM 0 HE2 MET A 749 1.604 1.636 -12.851 1.00 0.00 H new ATOM 0 HE3 MET A 749 1.775 1.508 -14.618 1.00 0.00 H new ATOM 566 N GLU A 750 4.682 -3.763 -9.871 1.00 0.00 N ATOM 567 CA GLU A 750 4.930 -5.170 -9.690 1.00 0.00 C ATOM 568 C GLU A 750 5.862 -5.372 -8.511 1.00 0.00 C ATOM 569 O GLU A 750 6.494 -4.420 -8.048 1.00 0.00 O ATOM 570 CB GLU A 750 5.543 -5.748 -10.961 1.00 0.00 C ATOM 571 CG GLU A 750 4.518 -6.232 -11.972 1.00 0.00 C ATOM 572 CD GLU A 750 5.159 -6.832 -13.208 1.00 0.00 C ATOM 573 OE1 GLU A 750 5.450 -6.072 -14.155 1.00 0.00 O ATOM 574 OE2 GLU A 750 5.369 -8.063 -13.229 1.00 0.00 O ATOM 0 H GLU A 750 5.460 -3.164 -9.596 1.00 0.00 H new ATOM 0 HA GLU A 750 3.992 -5.686 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 750 6.170 -4.989 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 750 6.195 -6.579 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 750 3.874 -6.976 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 750 3.881 -5.398 -12.266 1.00 0.00 H new ATOM 581 N PRO A 751 5.970 -6.602 -8.003 1.00 0.00 N ATOM 582 CA PRO A 751 6.833 -6.890 -6.872 1.00 0.00 C ATOM 583 C PRO A 751 8.289 -6.716 -7.251 1.00 0.00 C ATOM 584 O PRO A 751 8.725 -7.210 -8.292 1.00 0.00 O ATOM 585 CB PRO A 751 6.538 -8.349 -6.535 1.00 0.00 C ATOM 586 CG PRO A 751 5.287 -8.666 -7.269 1.00 0.00 C ATOM 587 CD PRO A 751 5.292 -7.803 -8.485 1.00 0.00 C ATOM 0 HA PRO A 751 6.652 -6.221 -6.030 1.00 0.00 H new ATOM 0 HB2 PRO A 751 7.355 -8.999 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.412 -8.489 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 751 5.251 -9.721 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.411 -8.465 -6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 751 5.826 -8.268 -9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 751 4.283 -7.588 -8.837 1.00 0.00 H new ATOM 595 N VAL A 752 9.045 -6.020 -6.418 1.00 0.00 N ATOM 596 CA VAL A 752 10.441 -5.793 -6.704 1.00 0.00 C ATOM 597 C VAL A 752 11.172 -7.126 -6.816 1.00 0.00 C ATOM 598 O VAL A 752 10.683 -8.156 -6.351 1.00 0.00 O ATOM 599 CB VAL A 752 11.072 -4.848 -5.655 1.00 0.00 C ATOM 600 CG1 VAL A 752 10.231 -4.749 -4.408 1.00 0.00 C ATOM 601 CG2 VAL A 752 12.471 -5.238 -5.260 1.00 0.00 C ATOM 0 H VAL A 752 8.713 -5.607 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 752 10.537 -5.289 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 752 11.116 -3.878 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 752 10.711 -4.075 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 752 9.244 -4.363 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 752 10.129 -5.737 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 752 12.851 -4.532 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 752 12.462 -6.240 -4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 752 13.115 -5.225 -6.140 1.00 0.00 H new ATOM 611 N LYS A 753 12.343 -7.098 -7.434 1.00 0.00 N ATOM 612 CA LYS A 753 13.124 -8.318 -7.659 1.00 0.00 C ATOM 613 C LYS A 753 13.681 -8.848 -6.363 1.00 0.00 C ATOM 614 O LYS A 753 14.504 -9.764 -6.364 1.00 0.00 O ATOM 615 CB LYS A 753 14.293 -8.049 -8.605 1.00 0.00 C ATOM 616 CG LYS A 753 13.872 -7.477 -9.947 1.00 0.00 C ATOM 617 CD LYS A 753 13.714 -8.560 -11.003 1.00 0.00 C ATOM 618 CE LYS A 753 15.047 -9.197 -11.360 1.00 0.00 C ATOM 619 NZ LYS A 753 14.903 -10.227 -12.425 1.00 0.00 N ATOM 0 H LYS A 753 12.778 -6.247 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 753 12.450 -9.053 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 753 14.985 -7.357 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 753 14.836 -8.979 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 753 12.930 -6.941 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 753 14.613 -6.751 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 753 13.031 -9.327 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 753 13.264 -8.132 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 753 15.741 -8.425 -11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 753 15.481 -9.653 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 15.834 -10.637 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 14.261 -10.977 -12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 14.513 -9.787 -13.283 1.00 0.00 H new ATOM 633 N ARG A 754 13.239 -8.266 -5.260 1.00 0.00 N ATOM 634 CA ARG A 754 13.742 -8.644 -3.962 1.00 0.00 C ATOM 635 C ARG A 754 15.218 -8.298 -3.908 1.00 0.00 C ATOM 636 O ARG A 754 15.873 -8.470 -2.881 1.00 0.00 O ATOM 637 CB ARG A 754 13.541 -10.143 -3.713 1.00 0.00 C ATOM 638 CG ARG A 754 13.514 -10.525 -2.244 1.00 0.00 C ATOM 639 CD ARG A 754 14.843 -11.109 -1.790 1.00 0.00 C ATOM 640 NE ARG A 754 14.858 -11.387 -0.357 1.00 0.00 N ATOM 641 CZ ARG A 754 15.677 -12.263 0.217 1.00 0.00 C ATOM 642 NH1 ARG A 754 16.538 -12.953 -0.520 1.00 0.00 N ATOM 643 NH2 ARG A 754 15.635 -12.452 1.529 1.00 0.00 N ATOM 0 H ARG A 754 12.533 -7.530 -5.244 1.00 0.00 H new ATOM 0 HA ARG A 754 13.197 -8.105 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.606 -10.456 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 754 14.342 -10.694 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 754 13.279 -9.646 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 754 12.720 -11.251 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 754 15.041 -12.029 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 754 15.646 -10.413 -2.033 1.00 0.00 H new ATOM 0 HE ARG A 754 14.203 -10.880 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 754 16.573 -12.812 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 754 17.165 -13.624 -0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 754 14.974 -11.925 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 754 16.264 -13.124 1.968 1.00 0.00 H new ATOM 657 N THR A 755 15.741 -7.789 -5.032 1.00 0.00 N ATOM 658 CA THR A 755 17.143 -7.452 -5.109 1.00 0.00 C ATOM 659 C THR A 755 17.417 -6.127 -5.817 1.00 0.00 C ATOM 660 O THR A 755 18.486 -5.549 -5.611 1.00 0.00 O ATOM 661 CB THR A 755 17.967 -8.560 -5.778 1.00 0.00 C ATOM 662 OG1 THR A 755 17.766 -8.537 -7.196 1.00 0.00 O ATOM 663 CG2 THR A 755 17.586 -9.927 -5.227 1.00 0.00 C ATOM 0 H THR A 755 15.210 -7.608 -5.884 1.00 0.00 H new ATOM 0 HA THR A 755 17.455 -7.344 -4.070 1.00 0.00 H new ATOM 0 HB THR A 755 19.020 -8.379 -5.560 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.298 -9.247 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.183 -10.696 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 755 17.772 -9.951 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.529 -10.114 -5.416 1.00 0.00 H new ATOM 671 N GLU A 756 16.494 -5.627 -6.658 1.00 0.00 N ATOM 672 CA GLU A 756 16.743 -4.321 -7.274 1.00 0.00 C ATOM 673 C GLU A 756 16.858 -3.425 -6.093 1.00 0.00 C ATOM 674 O GLU A 756 17.543 -2.404 -6.055 1.00 0.00 O ATOM 675 CB GLU A 756 15.594 -3.806 -8.140 1.00 0.00 C ATOM 676 CG GLU A 756 14.449 -4.759 -8.269 1.00 0.00 C ATOM 677 CD GLU A 756 13.233 -4.138 -8.928 1.00 0.00 C ATOM 678 OE1 GLU A 756 13.160 -4.155 -10.174 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.355 -3.633 -8.198 1.00 0.00 O ATOM 0 H GLU A 756 15.617 -6.080 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 756 17.607 -4.370 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.227 -2.870 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 756 15.977 -3.579 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 756 14.768 -5.625 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 756 14.173 -5.123 -7.279 1.00 0.00 H new ATOM 686 N ALA A 757 16.120 -3.915 -5.129 1.00 0.00 N ATOM 687 CA ALA A 757 15.966 -3.381 -3.833 1.00 0.00 C ATOM 688 C ALA A 757 16.779 -4.222 -2.882 1.00 0.00 C ATOM 689 O ALA A 757 16.341 -5.257 -2.385 1.00 0.00 O ATOM 690 CB ALA A 757 14.531 -3.462 -3.540 1.00 0.00 C ATOM 0 H ALA A 757 15.574 -4.767 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 757 16.309 -2.350 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.340 -3.062 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 757 13.976 -2.881 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 757 14.209 -4.503 -3.581 1.00 0.00 H new ATOM 696 N PRO A 758 17.987 -3.769 -2.662 1.00 0.00 N ATOM 697 CA PRO A 758 18.960 -4.437 -1.813 1.00 0.00 C ATOM 698 C PRO A 758 18.445 -4.610 -0.403 1.00 0.00 C ATOM 699 O PRO A 758 18.190 -3.636 0.299 1.00 0.00 O ATOM 700 CB PRO A 758 20.167 -3.501 -1.858 1.00 0.00 C ATOM 701 CG PRO A 758 19.615 -2.191 -2.311 1.00 0.00 C ATOM 702 CD PRO A 758 18.474 -2.511 -3.205 1.00 0.00 C ATOM 0 HA PRO A 758 19.192 -5.447 -2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.638 -3.415 -0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 758 20.928 -3.869 -2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 758 19.288 -1.591 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.372 -1.611 -2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.709 -1.735 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.789 -2.613 -4.243 1.00 0.00 H new ATOM 710 N GLY A 759 18.288 -5.860 0.002 1.00 0.00 N ATOM 711 CA GLY A 759 17.781 -6.136 1.321 1.00 0.00 C ATOM 712 C GLY A 759 16.390 -5.571 1.505 1.00 0.00 C ATOM 713 O GLY A 759 15.965 -5.318 2.629 1.00 0.00 O ATOM 0 H GLY A 759 18.503 -6.684 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 759 17.763 -7.213 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.451 -5.709 2.067 1.00 0.00 H new ATOM 717 N TYR A 760 15.687 -5.345 0.392 1.00 0.00 N ATOM 718 CA TYR A 760 14.333 -4.816 0.446 1.00 0.00 C ATOM 719 C TYR A 760 13.474 -5.596 1.424 1.00 0.00 C ATOM 720 O TYR A 760 12.797 -5.020 2.258 1.00 0.00 O ATOM 721 CB TYR A 760 13.730 -4.870 -0.940 1.00 0.00 C ATOM 722 CG TYR A 760 12.509 -4.003 -1.116 1.00 0.00 C ATOM 723 CD1 TYR A 760 12.630 -2.662 -1.393 1.00 0.00 C ATOM 724 CD2 TYR A 760 11.254 -4.508 -1.004 1.00 0.00 C ATOM 725 CE1 TYR A 760 11.548 -1.840 -1.553 1.00 0.00 C ATOM 726 CE2 TYR A 760 10.170 -3.690 -1.162 1.00 0.00 C ATOM 727 CZ TYR A 760 10.311 -2.363 -1.435 1.00 0.00 C ATOM 728 OH TYR A 760 9.202 -1.565 -1.587 1.00 0.00 O ATOM 0 H TYR A 760 16.036 -5.521 -0.550 1.00 0.00 H new ATOM 0 HA TYR A 760 14.371 -3.784 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 760 14.485 -4.566 -1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 760 13.465 -5.902 -1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 760 13.620 -2.240 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 760 11.112 -5.557 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 760 11.682 -0.791 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 760 9.178 -4.106 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 760 8.409 -2.127 -1.709 1.00 0.00 H new ATOM 738 N TYR A 761 13.522 -6.908 1.331 1.00 0.00 N ATOM 739 CA TYR A 761 12.731 -7.762 2.204 1.00 0.00 C ATOM 740 C TYR A 761 13.186 -7.681 3.656 1.00 0.00 C ATOM 741 O TYR A 761 12.463 -8.089 4.566 1.00 0.00 O ATOM 742 CB TYR A 761 12.770 -9.192 1.691 1.00 0.00 C ATOM 743 CG TYR A 761 11.768 -9.424 0.589 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.563 -8.446 -0.368 1.00 0.00 C ATOM 745 CD2 TYR A 761 11.014 -10.587 0.518 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.637 -8.612 -1.375 1.00 0.00 C ATOM 747 CE2 TYR A 761 10.085 -10.768 -0.492 1.00 0.00 C ATOM 748 CZ TYR A 761 9.900 -9.777 -1.436 1.00 0.00 C ATOM 749 OH TYR A 761 8.974 -9.950 -2.439 1.00 0.00 O ATOM 0 H TYR A 761 14.101 -7.412 0.659 1.00 0.00 H new ATOM 0 HA TYR A 761 11.701 -7.405 2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 761 13.771 -9.418 1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 761 12.569 -9.878 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.140 -7.534 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.154 -11.360 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.489 -7.836 -2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.508 -11.679 -0.542 1.00 0.00 H new ATOM 0 HH TYR A 761 8.543 -10.824 -2.339 1.00 0.00 H new ATOM 759 N GLU A 762 14.381 -7.155 3.864 1.00 0.00 N ATOM 760 CA GLU A 762 14.937 -7.014 5.204 1.00 0.00 C ATOM 761 C GLU A 762 14.251 -5.860 5.925 1.00 0.00 C ATOM 762 O GLU A 762 13.851 -5.962 7.085 1.00 0.00 O ATOM 763 CB GLU A 762 16.444 -6.761 5.103 1.00 0.00 C ATOM 764 CG GLU A 762 16.872 -5.397 5.613 1.00 0.00 C ATOM 765 CD GLU A 762 18.361 -5.313 5.881 1.00 0.00 C ATOM 766 OE1 GLU A 762 19.139 -5.274 4.905 1.00 0.00 O ATOM 767 OE2 GLU A 762 18.749 -5.290 7.067 1.00 0.00 O ATOM 0 H GLU A 762 14.990 -6.816 3.119 1.00 0.00 H new ATOM 0 HA GLU A 762 14.768 -7.929 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 762 16.971 -7.531 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 762 16.751 -6.862 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.595 -4.637 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.329 -5.170 6.530 1.00 0.00 H new ATOM 774 N VAL A 763 14.131 -4.766 5.196 1.00 0.00 N ATOM 775 CA VAL A 763 13.510 -3.547 5.664 1.00 0.00 C ATOM 776 C VAL A 763 12.031 -3.673 5.518 1.00 0.00 C ATOM 777 O VAL A 763 11.258 -3.525 6.465 1.00 0.00 O ATOM 778 CB VAL A 763 14.005 -2.351 4.814 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.546 -2.808 3.481 1.00 0.00 C ATOM 780 CG2 VAL A 763 12.915 -1.369 4.508 1.00 0.00 C ATOM 0 H VAL A 763 14.473 -4.702 4.237 1.00 0.00 H new ATOM 0 HA VAL A 763 13.771 -3.380 6.709 1.00 0.00 H new ATOM 0 HB VAL A 763 14.779 -1.879 5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 763 14.885 -1.943 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.383 -3.487 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 763 13.761 -3.324 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.319 -0.552 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.121 -1.868 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.511 -0.972 5.439 1.00 0.00 H new ATOM 790 N ILE A 764 11.668 -3.950 4.303 1.00 0.00 N ATOM 791 CA ILE A 764 10.308 -4.091 3.934 1.00 0.00 C ATOM 792 C ILE A 764 9.730 -5.401 4.421 1.00 0.00 C ATOM 793 O ILE A 764 9.798 -6.415 3.729 1.00 0.00 O ATOM 794 CB ILE A 764 10.173 -4.010 2.442 1.00 0.00 C ATOM 795 CG1 ILE A 764 10.975 -2.815 1.928 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.720 -3.880 2.104 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.248 -1.498 2.015 1.00 0.00 C ATOM 0 H ILE A 764 12.325 -4.085 3.534 1.00 0.00 H new ATOM 0 HA ILE A 764 9.752 -3.279 4.403 1.00 0.00 H new ATOM 0 HB ILE A 764 10.565 -4.908 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 764 11.902 -2.743 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.251 -2.997 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.602 -3.820 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.180 -4.749 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.319 -2.977 2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.887 -0.703 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.334 -1.547 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 764 9.996 -1.289 3.055 1.00 0.00 H new ATOM 809 N ARG A 765 9.192 -5.384 5.625 1.00 0.00 N ATOM 810 CA ARG A 765 8.587 -6.574 6.192 1.00 0.00 C ATOM 811 C ARG A 765 7.509 -7.116 5.265 1.00 0.00 C ATOM 812 O ARG A 765 7.395 -8.328 5.072 1.00 0.00 O ATOM 813 CB ARG A 765 7.976 -6.261 7.549 1.00 0.00 C ATOM 814 CG ARG A 765 8.172 -7.348 8.591 1.00 0.00 C ATOM 815 CD ARG A 765 7.833 -8.723 8.053 1.00 0.00 C ATOM 816 NE ARG A 765 8.981 -9.355 7.408 1.00 0.00 N ATOM 817 CZ ARG A 765 8.989 -10.612 6.975 1.00 0.00 C ATOM 818 NH1 ARG A 765 7.912 -11.374 7.117 1.00 0.00 N ATOM 819 NH2 ARG A 765 10.075 -11.108 6.398 1.00 0.00 N ATOM 0 H ARG A 765 9.161 -4.562 6.228 1.00 0.00 H new ATOM 0 HA ARG A 765 9.366 -7.327 6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 765 8.409 -5.333 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 765 6.908 -6.086 7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 765 9.207 -7.339 8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 765 7.547 -7.135 9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 765 7.482 -9.355 8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 765 7.015 -8.641 7.338 1.00 0.00 H new ATOM 0 HE ARG A 765 9.827 -8.799 7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 765 7.074 -10.996 7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 765 7.922 -12.338 6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 765 10.905 -10.525 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 765 10.081 -12.072 6.066 1.00 0.00 H new ATOM 833 N PHE A 766 6.723 -6.212 4.684 1.00 0.00 N ATOM 834 CA PHE A 766 5.636 -6.616 3.796 1.00 0.00 C ATOM 835 C PHE A 766 5.686 -5.902 2.437 1.00 0.00 C ATOM 836 O PHE A 766 4.885 -5.007 2.170 1.00 0.00 O ATOM 837 CB PHE A 766 4.284 -6.349 4.466 1.00 0.00 C ATOM 838 CG PHE A 766 4.321 -6.262 5.966 1.00 0.00 C ATOM 839 CD1 PHE A 766 4.778 -7.319 6.717 1.00 0.00 C ATOM 840 CD2 PHE A 766 3.871 -5.131 6.620 1.00 0.00 C ATOM 841 CE1 PHE A 766 4.791 -7.252 8.099 1.00 0.00 C ATOM 842 CE2 PHE A 766 3.883 -5.051 7.992 1.00 0.00 C ATOM 843 CZ PHE A 766 4.343 -6.110 8.734 1.00 0.00 C ATOM 0 H PHE A 766 6.817 -5.204 4.810 1.00 0.00 H new ATOM 0 HA PHE A 766 5.759 -7.683 3.609 1.00 0.00 H new ATOM 0 HB2 PHE A 766 3.880 -5.416 4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.592 -7.141 4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.131 -8.212 6.223 1.00 0.00 H new ATOM 0 HD2 PHE A 766 3.503 -4.295 6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.150 -8.089 8.679 1.00 0.00 H new ATOM 0 HE2 PHE A 766 3.531 -4.157 8.485 1.00 0.00 H new ATOM 0 HZ PHE A 766 4.355 -6.051 9.812 1.00 0.00 H new ATOM 853 N PRO A 767 6.633 -6.286 1.563 1.00 0.00 N ATOM 854 CA PRO A 767 6.771 -5.700 0.227 1.00 0.00 C ATOM 855 C PRO A 767 5.568 -5.966 -0.673 1.00 0.00 C ATOM 856 O PRO A 767 5.563 -6.913 -1.460 1.00 0.00 O ATOM 857 CB PRO A 767 8.035 -6.355 -0.344 1.00 0.00 C ATOM 858 CG PRO A 767 8.724 -6.959 0.815 1.00 0.00 C ATOM 859 CD PRO A 767 7.680 -7.266 1.841 1.00 0.00 C ATOM 0 HA PRO A 767 6.835 -4.613 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.784 -7.110 -1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.669 -5.619 -0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.251 -7.866 0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.470 -6.274 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.310 -8.287 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.069 -7.162 2.854 1.00 0.00 H new ATOM 867 N MET A 768 4.546 -5.121 -0.548 1.00 0.00 N ATOM 868 CA MET A 768 3.347 -5.246 -1.361 1.00 0.00 C ATOM 869 C MET A 768 3.414 -4.283 -2.521 1.00 0.00 C ATOM 870 O MET A 768 3.998 -3.207 -2.422 1.00 0.00 O ATOM 871 CB MET A 768 2.087 -5.017 -0.526 1.00 0.00 C ATOM 872 CG MET A 768 0.857 -4.592 -1.325 1.00 0.00 C ATOM 873 SD MET A 768 0.129 -5.906 -2.309 1.00 0.00 S ATOM 874 CE MET A 768 -0.007 -7.117 -1.028 1.00 0.00 C ATOM 0 H MET A 768 4.529 -4.343 0.111 1.00 0.00 H new ATOM 0 HA MET A 768 3.295 -6.262 -1.752 1.00 0.00 H new ATOM 0 HB2 MET A 768 1.853 -5.935 0.013 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.298 -4.253 0.223 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.104 -4.210 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 768 1.132 -3.769 -1.985 1.00 0.00 H new ATOM 0 HE1 MET A 768 -0.944 -7.662 -1.141 1.00 0.00 H new ATOM 0 HE2 MET A 768 0.828 -7.814 -1.096 1.00 0.00 H new ATOM 0 HE3 MET A 768 0.011 -6.623 -0.057 1.00 0.00 H new ATOM 884 N ASP A 769 2.828 -4.694 -3.621 1.00 0.00 N ATOM 885 CA ASP A 769 2.824 -3.895 -4.818 1.00 0.00 C ATOM 886 C ASP A 769 1.438 -3.859 -5.437 1.00 0.00 C ATOM 887 O ASP A 769 0.512 -4.479 -4.930 1.00 0.00 O ATOM 888 CB ASP A 769 3.838 -4.464 -5.803 1.00 0.00 C ATOM 889 CG ASP A 769 3.912 -5.970 -5.748 1.00 0.00 C ATOM 890 OD1 ASP A 769 4.550 -6.502 -4.815 1.00 0.00 O ATOM 891 OD2 ASP A 769 3.332 -6.616 -6.640 1.00 0.00 O ATOM 0 H ASP A 769 2.344 -5.587 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 769 3.101 -2.871 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.573 -4.153 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 769 4.822 -4.047 -5.589 1.00 0.00 H new ATOM 896 N LEU A 770 1.302 -3.106 -6.513 1.00 0.00 N ATOM 897 CA LEU A 770 0.034 -2.987 -7.216 1.00 0.00 C ATOM 898 C LEU A 770 -0.323 -4.270 -7.935 1.00 0.00 C ATOM 899 O LEU A 770 -1.497 -4.557 -8.134 1.00 0.00 O ATOM 900 CB LEU A 770 0.083 -1.828 -8.189 1.00 0.00 C ATOM 901 CG LEU A 770 0.736 -0.605 -7.620 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.504 0.080 -8.701 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.299 0.317 -7.039 1.00 0.00 C ATOM 0 H LEU A 770 2.061 -2.562 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.744 -2.796 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.623 -2.137 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.932 -1.579 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 770 1.417 -0.891 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.983 0.972 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.265 -0.596 -9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.825 0.365 -9.505 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.190 1.201 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -0.998 0.618 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.841 -0.198 -6.246 1.00 0.00 H new ATOM 915 N LYS A 771 0.680 -5.019 -8.377 1.00 0.00 N ATOM 916 CA LYS A 771 0.399 -6.291 -9.020 1.00 0.00 C ATOM 917 C LYS A 771 0.031 -7.304 -7.964 1.00 0.00 C ATOM 918 O LYS A 771 -0.849 -8.128 -8.172 1.00 0.00 O ATOM 919 CB LYS A 771 1.561 -6.818 -9.836 1.00 0.00 C ATOM 920 CG LYS A 771 1.088 -7.623 -11.025 1.00 0.00 C ATOM 921 CD LYS A 771 1.091 -6.774 -12.279 1.00 0.00 C ATOM 922 CE LYS A 771 0.334 -7.442 -13.409 1.00 0.00 C ATOM 923 NZ LYS A 771 0.400 -6.649 -14.667 1.00 0.00 N ATOM 0 H LYS A 771 1.668 -4.775 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.425 -6.126 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.172 -5.984 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.197 -7.439 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 771 1.734 -8.490 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.083 -8.002 -10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 771 0.642 -5.804 -12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.119 -6.587 -12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.746 -8.436 -13.584 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -0.708 -7.576 -13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -0.130 -7.140 -15.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -0.016 -5.709 -14.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 1.393 -6.543 -14.959 1.00 0.00 H new ATOM 937 N THR A 772 0.748 -7.269 -6.844 1.00 0.00 N ATOM 938 CA THR A 772 0.428 -8.151 -5.733 1.00 0.00 C ATOM 939 C THR A 772 -0.955 -7.760 -5.244 1.00 0.00 C ATOM 940 O THR A 772 -1.778 -8.607 -4.898 1.00 0.00 O ATOM 941 CB THR A 772 1.437 -8.067 -4.577 1.00 0.00 C ATOM 942 OG1 THR A 772 2.738 -8.460 -5.029 1.00 0.00 O ATOM 943 CG2 THR A 772 1.003 -8.975 -3.439 1.00 0.00 C ATOM 0 H THR A 772 1.542 -6.649 -6.685 1.00 0.00 H new ATOM 0 HA THR A 772 0.467 -9.183 -6.082 1.00 0.00 H new ATOM 0 HB THR A 772 1.475 -7.037 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 772 3.371 -8.417 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 772 1.725 -8.908 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.021 -8.665 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 772 0.951 -10.004 -3.794 1.00 0.00 H new ATOM 951 N MET A 773 -1.185 -6.446 -5.211 1.00 0.00 N ATOM 952 CA MET A 773 -2.487 -5.900 -4.865 1.00 0.00 C ATOM 953 C MET A 773 -3.496 -6.528 -5.816 1.00 0.00 C ATOM 954 O MET A 773 -4.379 -7.269 -5.412 1.00 0.00 O ATOM 955 CB MET A 773 -2.483 -4.378 -5.030 1.00 0.00 C ATOM 956 CG MET A 773 -2.145 -3.626 -3.760 1.00 0.00 C ATOM 957 SD MET A 773 -3.311 -3.959 -2.449 1.00 0.00 S ATOM 958 CE MET A 773 -4.764 -3.203 -3.145 1.00 0.00 C ATOM 0 H MET A 773 -0.478 -5.741 -5.422 1.00 0.00 H new ATOM 0 HA MET A 773 -2.739 -6.120 -3.828 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.764 -4.108 -5.803 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.464 -4.057 -5.381 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.143 -3.902 -3.432 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.129 -2.556 -3.967 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.053 -2.344 -2.540 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.552 -2.875 -4.163 1.00 0.00 H new ATOM 0 HE3 MET A 773 -5.579 -3.927 -3.160 1.00 0.00 H new ATOM 968 N SER A 774 -3.303 -6.259 -7.102 1.00 0.00 N ATOM 969 CA SER A 774 -4.164 -6.796 -8.152 1.00 0.00 C ATOM 970 C SER A 774 -4.176 -8.314 -8.143 1.00 0.00 C ATOM 971 O SER A 774 -5.112 -8.929 -8.621 1.00 0.00 O ATOM 972 CB SER A 774 -3.711 -6.294 -9.504 1.00 0.00 C ATOM 973 OG SER A 774 -2.539 -6.959 -9.939 1.00 0.00 O ATOM 0 H SER A 774 -2.549 -5.665 -7.447 1.00 0.00 H new ATOM 0 HA SER A 774 -5.179 -6.450 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.507 -6.443 -10.234 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.524 -5.222 -9.451 1.00 0.00 H new ATOM 0 HG SER A 774 -2.049 -7.301 -9.162 1.00 0.00 H new ATOM 979 N GLU A 775 -3.124 -8.913 -7.620 1.00 0.00 N ATOM 980 CA GLU A 775 -3.039 -10.362 -7.528 1.00 0.00 C ATOM 981 C GLU A 775 -4.138 -10.837 -6.614 1.00 0.00 C ATOM 982 O GLU A 775 -4.929 -11.731 -6.937 1.00 0.00 O ATOM 983 CB GLU A 775 -1.679 -10.748 -6.966 1.00 0.00 C ATOM 984 CG GLU A 775 -0.860 -11.616 -7.888 1.00 0.00 C ATOM 985 CD GLU A 775 0.191 -12.427 -7.154 1.00 0.00 C ATOM 986 OE1 GLU A 775 -0.136 -13.539 -6.690 1.00 0.00 O ATOM 987 OE2 GLU A 775 1.339 -11.948 -7.042 1.00 0.00 O ATOM 0 H GLU A 775 -2.312 -8.419 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.153 -10.821 -8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.118 -9.840 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.823 -11.273 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.523 -12.293 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.372 -10.987 -8.633 1.00 0.00 H new ATOM 994 N ARG A 776 -4.185 -10.185 -5.474 1.00 0.00 N ATOM 995 CA ARG A 776 -5.179 -10.451 -4.474 1.00 0.00 C ATOM 996 C ARG A 776 -6.539 -10.122 -5.050 1.00 0.00 C ATOM 997 O ARG A 776 -7.473 -10.913 -5.004 1.00 0.00 O ATOM 998 CB ARG A 776 -4.857 -9.602 -3.263 1.00 0.00 C ATOM 999 CG ARG A 776 -3.704 -10.169 -2.456 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.818 -9.086 -1.865 1.00 0.00 C ATOM 1001 NE ARG A 776 -1.684 -9.658 -1.143 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.572 -9.652 0.183 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -2.518 -9.103 0.931 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -0.511 -10.199 0.759 1.00 0.00 N ATOM 0 H ARG A 776 -3.526 -9.450 -5.218 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.186 -11.498 -4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.610 -8.591 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.740 -9.527 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.099 -10.790 -1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.103 -10.817 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.454 -8.437 -2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.404 -8.463 -1.189 1.00 0.00 H new ATOM 0 HE ARG A 776 -0.935 -10.087 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -3.336 -8.683 0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 776 -2.428 -9.101 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 776 0.218 -10.624 0.186 1.00 0.00 H new ATOM 0 HH22 ARG A 776 -0.424 -10.195 1.775 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.596 -8.949 -5.634 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.788 -8.428 -6.277 1.00 0.00 C ATOM 1020 C LEU A 777 -8.361 -9.432 -7.234 1.00 0.00 C ATOM 1021 O LEU A 777 -9.529 -9.795 -7.153 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.396 -7.160 -7.029 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.513 -6.252 -7.524 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.794 -6.979 -7.802 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.750 -5.169 -6.509 1.00 0.00 C ATOM 0 H LEU A 777 -5.800 -8.313 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.549 -8.213 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.750 -6.571 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.797 -7.454 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.188 -5.831 -8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.546 -6.271 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.624 -7.735 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.145 -7.460 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.549 -4.514 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.036 -5.618 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.837 -4.589 -6.376 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.524 -9.879 -8.137 1.00 0.00 N ATOM 1038 CA LYS A 778 -7.945 -10.812 -9.136 1.00 0.00 C ATOM 1039 C LYS A 778 -8.661 -11.991 -8.503 1.00 0.00 C ATOM 1040 O LYS A 778 -9.753 -12.369 -8.923 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.769 -11.323 -9.931 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.693 -10.726 -11.307 1.00 0.00 C ATOM 1043 CD LYS A 778 -5.883 -9.442 -11.320 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.376 -9.707 -11.398 1.00 0.00 C ATOM 1045 NZ LYS A 778 -3.961 -10.861 -10.556 1.00 0.00 N ATOM 0 H LYS A 778 -6.543 -9.606 -8.195 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.628 -10.287 -9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.848 -11.101 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.836 -12.408 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.244 -11.446 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.700 -10.524 -11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.187 -8.832 -12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.103 -8.867 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -4.096 -9.897 -12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -3.836 -8.815 -11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -2.923 -10.908 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.336 -10.741 -9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.333 -11.741 -10.966 1.00 0.00 H new ATOM 1059 N ASN A 779 -8.023 -12.575 -7.488 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.599 -13.726 -6.801 1.00 0.00 C ATOM 1061 C ASN A 779 -9.738 -13.309 -5.866 1.00 0.00 C ATOM 1062 O ASN A 779 -10.337 -14.148 -5.192 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.525 -14.491 -6.024 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.357 -14.008 -4.599 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -8.149 -14.341 -3.716 1.00 0.00 O ATOM 1066 ND2 ASN A 779 -6.308 -13.236 -4.363 1.00 0.00 N ATOM 0 H ASN A 779 -7.118 -12.273 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 779 -9.014 -14.386 -7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.780 -15.551 -6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -6.573 -14.398 -6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -6.130 -12.892 -3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -5.678 -12.985 -5.125 1.00 0.00 H new ATOM 1073 N ARG A 780 -10.006 -12.004 -5.829 1.00 0.00 N ATOM 1074 CA ARG A 780 -11.076 -11.422 -5.008 1.00 0.00 C ATOM 1075 C ARG A 780 -10.683 -11.392 -3.538 1.00 0.00 C ATOM 1076 O ARG A 780 -11.537 -11.329 -2.654 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.390 -12.191 -5.148 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.120 -11.960 -6.451 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.415 -12.643 -7.602 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.292 -13.568 -8.315 1.00 0.00 N ATOM 1081 CZ ARG A 780 -12.975 -14.830 -8.583 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -11.808 -15.323 -8.190 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -13.826 -15.604 -9.243 1.00 0.00 N ATOM 0 H ARG A 780 -9.485 -11.314 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.223 -10.405 -5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.184 -13.257 -5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -13.048 -11.913 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.140 -12.336 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.189 -10.890 -6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.043 -11.890 -8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.548 -13.185 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 780 -14.201 -13.225 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -11.151 -14.733 -7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -11.568 -16.292 -8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.726 -15.231 -9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -13.581 -16.573 -9.448 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.385 -11.440 -3.292 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.850 -11.439 -1.943 1.00 0.00 C ATOM 1099 C TYR A 781 -9.404 -10.296 -1.110 1.00 0.00 C ATOM 1100 O TYR A 781 -9.672 -10.471 0.075 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.332 -11.337 -2.018 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.631 -11.000 -0.726 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.499 -9.684 -0.324 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -6.062 -11.991 0.063 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.823 -9.353 0.820 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.388 -11.671 1.225 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.268 -10.350 1.598 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.587 -10.023 2.749 1.00 0.00 O ATOM 0 H TYR A 781 -8.674 -11.481 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.148 -12.367 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -6.941 -12.286 -2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.074 -10.579 -2.758 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -6.938 -8.901 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -6.148 -13.025 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.724 -8.318 1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -4.958 -12.450 1.837 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.261 -10.841 3.179 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.566 -9.128 -1.729 1.00 0.00 N ATOM 1119 CA TYR A 782 -10.058 -7.958 -1.018 1.00 0.00 C ATOM 1120 C TYR A 782 -11.496 -8.113 -0.594 1.00 0.00 C ATOM 1121 O TYR A 782 -12.408 -7.523 -1.175 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.842 -6.703 -1.854 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.423 -6.591 -2.235 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.514 -6.193 -1.310 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -7.980 -6.950 -3.478 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.191 -6.149 -1.598 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.644 -6.884 -3.780 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.757 -6.486 -2.828 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.425 -6.456 -3.094 1.00 0.00 O ATOM 0 H TYR A 782 -9.364 -8.971 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.481 -7.857 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.465 -6.739 -2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.146 -5.822 -1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.852 -5.906 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.685 -7.287 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.484 -5.844 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.298 -7.147 -4.769 1.00 0.00 H new ATOM 0 HH TYR A 782 -3.976 -5.867 -2.452 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.678 -8.921 0.436 1.00 0.00 N ATOM 1140 CA VAL A 783 -12.979 -9.143 1.006 1.00 0.00 C ATOM 1141 C VAL A 783 -13.246 -8.030 1.981 1.00 0.00 C ATOM 1142 O VAL A 783 -14.224 -8.027 2.729 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.059 -10.495 1.719 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -12.940 -11.605 0.709 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -11.979 -10.596 2.767 1.00 0.00 C ATOM 0 H VAL A 783 -10.926 -9.436 0.893 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.726 -9.156 0.212 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.022 -10.585 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -12.997 -12.567 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -13.752 -11.528 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -11.984 -11.525 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.047 -11.562 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.002 -10.500 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.107 -9.799 3.499 1.00 0.00 H new ATOM 1155 N SER A 784 -12.329 -7.081 1.940 1.00 0.00 N ATOM 1156 CA SER A 784 -12.359 -5.926 2.786 1.00 0.00 C ATOM 1157 C SER A 784 -11.519 -4.823 2.159 1.00 0.00 C ATOM 1158 O SER A 784 -10.335 -5.013 1.892 1.00 0.00 O ATOM 1159 CB SER A 784 -11.818 -6.297 4.149 1.00 0.00 C ATOM 1160 OG SER A 784 -12.853 -6.367 5.116 1.00 0.00 O ATOM 0 H SER A 784 -11.533 -7.102 1.303 1.00 0.00 H new ATOM 0 HA SER A 784 -13.382 -5.567 2.898 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.308 -7.258 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.077 -5.561 4.460 1.00 0.00 H new ATOM 0 HG SER A 784 -12.472 -6.610 5.986 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.145 -3.685 1.900 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.454 -2.549 1.303 1.00 0.00 C ATOM 1168 C LYS A 785 -10.202 -2.220 2.094 1.00 0.00 C ATOM 1169 O LYS A 785 -9.335 -1.502 1.615 1.00 0.00 O ATOM 1170 CB LYS A 785 -12.377 -1.347 1.280 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.428 -0.589 2.596 1.00 0.00 C ATOM 1172 CD LYS A 785 -13.619 0.348 2.643 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.930 -0.392 2.435 1.00 0.00 C ATOM 1174 NZ LYS A 785 -15.164 -1.419 3.487 1.00 0.00 N ATOM 0 H LYS A 785 -13.133 -3.522 2.094 1.00 0.00 H new ATOM 0 HA LYS A 785 -11.167 -2.806 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -12.054 -0.667 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -13.383 -1.678 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.485 -1.296 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -11.508 -0.019 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -13.640 0.861 3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -13.509 1.114 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -15.753 0.322 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.925 -0.871 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -16.119 -1.817 3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -14.460 -2.178 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -15.077 -0.980 4.426 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.126 -2.735 3.319 1.00 0.00 N ATOM 1189 CA LYS A 786 -8.969 -2.498 4.163 1.00 0.00 C ATOM 1190 C LYS A 786 -7.808 -3.362 3.715 1.00 0.00 C ATOM 1191 O LYS A 786 -6.658 -2.966 3.828 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.298 -2.747 5.636 1.00 0.00 C ATOM 1193 CG LYS A 786 -10.245 -1.717 6.230 1.00 0.00 C ATOM 1194 CD LYS A 786 -10.618 -2.059 7.665 1.00 0.00 C ATOM 1195 CE LYS A 786 -11.794 -3.022 7.726 1.00 0.00 C ATOM 1196 NZ LYS A 786 -11.501 -4.312 7.042 1.00 0.00 N ATOM 0 H LYS A 786 -10.850 -3.315 3.743 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.682 -1.451 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -9.741 -3.738 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.372 -2.751 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -9.778 -0.733 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -11.148 -1.660 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -9.759 -2.502 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -10.868 -1.145 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -12.050 -3.215 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -12.666 -2.558 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -12.158 -5.043 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -11.616 -4.194 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -10.524 -4.601 7.250 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.104 -4.562 3.246 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.074 -5.429 2.713 1.00 0.00 C ATOM 1212 C LEU A 787 -6.386 -4.675 1.634 1.00 0.00 C ATOM 1213 O LEU A 787 -5.166 -4.558 1.552 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.714 -6.646 2.076 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.063 -7.734 3.033 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.806 -8.837 2.310 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.795 -8.209 3.707 1.00 0.00 C ATOM 0 H LEU A 787 -9.045 -4.954 3.224 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.392 -5.738 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.619 -6.334 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.035 -7.046 1.323 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.735 -7.373 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.058 -9.629 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.721 -8.435 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.175 -9.243 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.034 -9.006 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.102 -8.585 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.334 -7.379 4.242 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.254 -4.171 0.813 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.924 -3.387 -0.319 1.00 0.00 C ATOM 1231 C PHE A 788 -6.155 -2.157 0.053 1.00 0.00 C ATOM 1232 O PHE A 788 -5.059 -1.918 -0.445 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.204 -3.048 -0.990 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.908 -2.625 -2.337 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.601 -1.348 -2.494 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.887 -3.470 -3.413 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.277 -0.842 -3.689 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.559 -2.974 -4.648 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.255 -1.651 -4.781 1.00 0.00 C ATOM 0 H PHE A 788 -8.259 -4.306 0.926 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.270 -3.945 -0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.868 -3.912 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.720 -2.256 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.612 -0.696 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.126 -4.516 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.034 0.206 -3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.541 -3.626 -5.509 1.00 0.00 H new ATOM 0 HZ PHE A 788 -6.998 -1.248 -5.750 1.00 0.00 H new ATOM 1249 N MET A 789 -6.732 -1.379 0.919 1.00 0.00 N ATOM 1250 CA MET A 789 -6.095 -0.179 1.359 1.00 0.00 C ATOM 1251 C MET A 789 -4.772 -0.511 1.993 1.00 0.00 C ATOM 1252 O MET A 789 -3.747 -0.109 1.504 1.00 0.00 O ATOM 1253 CB MET A 789 -6.993 0.536 2.319 1.00 0.00 C ATOM 1254 CG MET A 789 -8.144 1.225 1.620 1.00 0.00 C ATOM 1255 SD MET A 789 -8.875 2.499 2.621 1.00 0.00 S ATOM 1256 CE MET A 789 -7.981 3.842 1.893 1.00 0.00 C ATOM 0 H MET A 789 -7.646 -1.557 1.335 1.00 0.00 H new ATOM 0 HA MET A 789 -5.907 0.477 0.509 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.385 -0.175 3.046 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.414 1.273 2.875 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.791 1.659 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 789 -8.904 0.487 1.363 1.00 0.00 H new ATOM 0 HE1 MET A 789 -7.461 4.398 2.673 1.00 0.00 H new ATOM 0 HE2 MET A 789 -7.255 3.452 1.180 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.676 4.504 1.377 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.817 -1.288 3.058 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.616 -1.698 3.778 1.00 0.00 C ATOM 1268 C ALA A 790 -2.493 -2.139 2.854 1.00 0.00 C ATOM 1269 O ALA A 790 -1.365 -1.685 2.993 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.942 -2.851 4.696 1.00 0.00 C ATOM 0 H ALA A 790 -5.683 -1.655 3.452 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.277 -0.825 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -3.043 -3.155 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.704 -2.542 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.315 -3.690 4.108 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.805 -3.047 1.932 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.807 -3.577 1.010 1.00 0.00 C ATOM 1278 C ASP A 791 -1.352 -2.516 0.009 1.00 0.00 C ATOM 1279 O ASP A 791 -0.163 -2.286 -0.158 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.340 -4.818 0.303 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.436 -6.014 1.231 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.398 -6.397 1.812 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.545 -6.566 1.378 1.00 0.00 O ATOM 0 H ASP A 791 -3.742 -3.430 1.805 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.931 -3.867 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.325 -4.602 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.688 -5.063 -0.536 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.271 -1.880 -0.685 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.867 -0.823 -1.598 1.00 0.00 C ATOM 1290 C LEU A 792 -1.097 0.199 -0.797 1.00 0.00 C ATOM 1291 O LEU A 792 -0.132 0.802 -1.265 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.079 -0.140 -2.225 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.145 -0.141 -3.725 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.230 0.809 -4.166 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.805 0.237 -4.309 1.00 0.00 C ATOM 0 H LEU A 792 -3.273 -2.065 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.264 -1.249 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -3.979 -0.623 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -3.103 0.895 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.385 -1.140 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.287 0.816 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.186 0.485 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.002 1.813 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.868 0.232 -5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.527 1.234 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.052 -0.481 -3.986 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.534 0.345 0.440 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.931 1.263 1.371 1.00 0.00 C ATOM 1309 C GLN A 793 0.358 0.655 1.849 1.00 0.00 C ATOM 1310 O GLN A 793 1.250 1.332 2.348 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.878 1.553 2.530 1.00 0.00 C ATOM 1312 CG GLN A 793 -3.001 2.494 2.141 1.00 0.00 C ATOM 1313 CD GLN A 793 -4.012 2.708 3.255 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -3.678 2.588 4.434 1.00 0.00 O ATOM 1315 NE2 GLN A 793 -5.257 3.042 2.898 1.00 0.00 N ATOM 0 H GLN A 793 -2.323 -0.176 0.823 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.726 2.218 0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.302 0.616 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.314 1.987 3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.577 3.456 1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.513 2.096 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -5.498 3.132 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -5.966 3.206 3.613 1.00 0.00 H new ATOM 1324 N ARG A 794 0.415 -0.652 1.682 1.00 0.00 N ATOM 1325 CA ARG A 794 1.572 -1.439 2.028 1.00 0.00 C ATOM 1326 C ARG A 794 2.664 -1.190 0.993 1.00 0.00 C ATOM 1327 O ARG A 794 3.846 -1.359 1.278 1.00 0.00 O ATOM 1328 CB ARG A 794 1.203 -2.915 2.074 1.00 0.00 C ATOM 1329 CG ARG A 794 2.304 -3.758 2.655 1.00 0.00 C ATOM 1330 CD ARG A 794 2.503 -3.493 4.123 1.00 0.00 C ATOM 1331 NE ARG A 794 3.759 -2.795 4.391 1.00 0.00 N ATOM 1332 CZ ARG A 794 4.016 -2.137 5.520 1.00 0.00 C ATOM 1333 NH1 ARG A 794 3.095 -2.059 6.471 1.00 0.00 N ATOM 1334 NH2 ARG A 794 5.193 -1.553 5.695 1.00 0.00 N ATOM 0 H ARG A 794 -0.354 -1.200 1.297 1.00 0.00 H new ATOM 0 HA ARG A 794 1.937 -1.150 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.298 -3.043 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 794 0.975 -3.262 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 794 2.071 -4.812 2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.233 -3.558 2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 794 1.671 -2.898 4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 794 2.491 -4.438 4.666 1.00 0.00 H new ATOM 0 HE ARG A 794 4.481 -2.813 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 794 2.187 -2.504 6.339 1.00 0.00 H new ATOM 0 HH12 ARG A 794 3.295 -1.554 7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 794 5.903 -1.607 4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 794 5.389 -1.049 6.560 1.00 0.00 H new ATOM 1348 N VAL A 795 2.251 -0.779 -0.215 1.00 0.00 N ATOM 1349 CA VAL A 795 3.198 -0.478 -1.288 1.00 0.00 C ATOM 1350 C VAL A 795 3.715 0.946 -1.131 1.00 0.00 C ATOM 1351 O VAL A 795 4.904 1.212 -1.295 1.00 0.00 O ATOM 1352 CB VAL A 795 2.589 -0.665 -2.705 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.382 -1.567 -2.648 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.230 0.655 -3.359 1.00 0.00 C ATOM 0 H VAL A 795 1.272 -0.649 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 795 4.018 -1.191 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 795 3.357 -1.132 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.969 -1.686 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.674 -2.542 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.629 -1.126 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.809 0.469 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.497 1.178 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.126 1.268 -3.456 1.00 0.00 H new ATOM 1364 N PHE A 796 2.802 1.864 -0.819 1.00 0.00 N ATOM 1365 CA PHE A 796 3.177 3.260 -0.606 1.00 0.00 C ATOM 1366 C PHE A 796 4.034 3.358 0.643 1.00 0.00 C ATOM 1367 O PHE A 796 5.091 3.984 0.640 1.00 0.00 O ATOM 1368 CB PHE A 796 1.958 4.163 -0.418 1.00 0.00 C ATOM 1369 CG PHE A 796 0.751 3.781 -1.220 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.843 3.460 -2.555 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.481 3.733 -0.623 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.267 3.093 -3.274 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.592 3.365 -1.340 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.478 3.044 -2.669 1.00 0.00 C ATOM 0 H PHE A 796 1.807 1.669 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 796 3.719 3.592 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.687 4.165 0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.239 5.184 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.805 3.497 -3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.579 3.987 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.175 2.844 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.557 3.328 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.352 2.753 -3.232 1.00 0.00 H new ATOM 1384 N THR A 797 3.558 2.720 1.714 1.00 0.00 N ATOM 1385 CA THR A 797 4.259 2.731 2.989 1.00 0.00 C ATOM 1386 C THR A 797 5.608 2.035 2.886 1.00 0.00 C ATOM 1387 O THR A 797 6.589 2.529 3.419 1.00 0.00 O ATOM 1388 CB THR A 797 3.431 2.087 4.119 1.00 0.00 C ATOM 1389 OG1 THR A 797 3.942 2.502 5.392 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.465 0.569 4.036 1.00 0.00 C ATOM 0 H THR A 797 2.687 2.189 1.718 1.00 0.00 H new ATOM 0 HA THR A 797 4.416 3.780 3.240 1.00 0.00 H new ATOM 0 HB THR A 797 2.398 2.415 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 797 3.412 2.092 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 797 2.871 0.147 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.053 0.248 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.495 0.223 4.122 1.00 0.00 H new ATOM 1398 N ASN A 798 5.656 0.872 2.226 1.00 0.00 N ATOM 1399 CA ASN A 798 6.922 0.175 2.064 1.00 0.00 C ATOM 1400 C ASN A 798 7.831 1.035 1.215 1.00 0.00 C ATOM 1401 O ASN A 798 9.055 0.999 1.352 1.00 0.00 O ATOM 1402 CB ASN A 798 6.745 -1.223 1.468 1.00 0.00 C ATOM 1403 CG ASN A 798 6.376 -1.247 -0.006 1.00 0.00 C ATOM 1404 OD1 ASN A 798 6.751 -0.367 -0.777 1.00 0.00 O ATOM 1405 ND2 ASN A 798 5.650 -2.282 -0.409 1.00 0.00 N ATOM 0 H ASN A 798 4.850 0.408 1.807 1.00 0.00 H new ATOM 0 HA ASN A 798 7.372 0.018 3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.671 -1.781 1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.972 -1.747 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 798 5.384 -2.367 -1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 798 5.358 -2.992 0.262 1.00 0.00 H new ATOM 1412 N CYS A 799 7.218 1.843 0.350 1.00 0.00 N ATOM 1413 CA CYS A 799 7.984 2.727 -0.486 1.00 0.00 C ATOM 1414 C CYS A 799 8.494 3.881 0.357 1.00 0.00 C ATOM 1415 O CYS A 799 9.566 4.431 0.129 1.00 0.00 O ATOM 1416 CB CYS A 799 7.187 3.224 -1.669 1.00 0.00 C ATOM 1417 SG CYS A 799 8.110 4.396 -2.679 1.00 0.00 S ATOM 0 H CYS A 799 6.208 1.894 0.221 1.00 0.00 H new ATOM 0 HA CYS A 799 8.828 2.174 -0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 799 6.888 2.375 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 799 6.272 3.697 -1.313 1.00 0.00 H new ATOM 0 HG CYS A 799 7.688 4.337 -3.907 1.00 0.00 H new ATOM 1423 N LYS A 800 7.683 4.223 1.335 1.00 0.00 N ATOM 1424 CA LYS A 800 7.968 5.274 2.295 1.00 0.00 C ATOM 1425 C LYS A 800 8.873 4.743 3.413 1.00 0.00 C ATOM 1426 O LYS A 800 9.530 5.499 4.127 1.00 0.00 O ATOM 1427 CB LYS A 800 6.649 5.708 2.886 1.00 0.00 C ATOM 1428 CG LYS A 800 5.827 6.623 2.018 1.00 0.00 C ATOM 1429 CD LYS A 800 4.350 6.404 2.279 1.00 0.00 C ATOM 1430 CE LYS A 800 3.509 7.276 1.384 1.00 0.00 C ATOM 1431 NZ LYS A 800 2.080 7.294 1.800 1.00 0.00 N ATOM 0 H LYS A 800 6.784 3.768 1.491 1.00 0.00 H new ATOM 0 HA LYS A 800 8.478 6.105 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.059 4.819 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.842 6.209 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.090 7.661 2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 800 6.050 6.437 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 800 4.099 5.356 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.125 6.624 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 800 3.902 8.293 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 800 3.582 6.918 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.521 7.822 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 1.724 6.319 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.995 7.754 2.729 1.00 0.00 H new ATOM 1445 N GLU A 801 8.872 3.418 3.547 1.00 0.00 N ATOM 1446 CA GLU A 801 9.620 2.708 4.586 1.00 0.00 C ATOM 1447 C GLU A 801 11.111 2.692 4.335 1.00 0.00 C ATOM 1448 O GLU A 801 11.910 3.201 5.121 1.00 0.00 O ATOM 1449 CB GLU A 801 9.174 1.249 4.579 1.00 0.00 C ATOM 1450 CG GLU A 801 8.772 0.687 5.927 1.00 0.00 C ATOM 1451 CD GLU A 801 9.147 -0.774 6.081 1.00 0.00 C ATOM 1452 OE1 GLU A 801 8.399 -1.636 5.573 1.00 0.00 O ATOM 1453 OE2 GLU A 801 10.187 -1.056 6.712 1.00 0.00 O ATOM 0 H GLU A 801 8.346 2.799 2.930 1.00 0.00 H new ATOM 0 HA GLU A 801 9.425 3.223 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.331 1.148 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 801 9.984 0.641 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 801 9.250 1.267 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 801 7.696 0.798 6.057 1.00 0.00 H new ATOM 1460 N TYR A 802 11.457 2.091 3.217 1.00 0.00 N ATOM 1461 CA TYR A 802 12.829 1.911 2.814 1.00 0.00 C ATOM 1462 C TYR A 802 13.375 3.128 2.104 1.00 0.00 C ATOM 1463 O TYR A 802 14.310 3.780 2.568 1.00 0.00 O ATOM 1464 CB TYR A 802 12.824 0.733 1.847 1.00 0.00 C ATOM 1465 CG TYR A 802 14.075 0.496 1.042 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.227 1.283 1.090 1.00 0.00 C ATOM 1467 CD2 TYR A 802 14.052 -0.544 0.183 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.308 0.996 0.281 1.00 0.00 C ATOM 1469 CE2 TYR A 802 15.104 -0.842 -0.625 1.00 0.00 C ATOM 1470 CZ TYR A 802 16.240 -0.073 -0.581 1.00 0.00 C ATOM 1471 OH TYR A 802 17.306 -0.374 -1.392 1.00 0.00 O ATOM 0 H TYR A 802 10.781 1.709 2.555 1.00 0.00 H new ATOM 0 HA TYR A 802 13.458 1.744 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.614 -0.171 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 802 11.996 0.871 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.273 2.124 1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 802 13.167 -1.161 0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.199 1.605 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 802 15.046 -1.683 -1.301 1.00 0.00 H new ATOM 0 HH TYR A 802 18.137 -0.315 -0.876 1.00 0.00 H new ATOM 1481 N ASN A 803 12.758 3.426 0.986 1.00 0.00 N ATOM 1482 CA ASN A 803 13.195 4.522 0.146 1.00 0.00 C ATOM 1483 C ASN A 803 13.178 5.842 0.883 1.00 0.00 C ATOM 1484 O ASN A 803 12.544 5.976 1.928 1.00 0.00 O ATOM 1485 CB ASN A 803 12.317 4.614 -1.102 1.00 0.00 C ATOM 1486 CG ASN A 803 12.476 3.408 -2.004 1.00 0.00 C ATOM 1487 OD1 ASN A 803 11.726 2.437 -1.897 1.00 0.00 O ATOM 1488 ND2 ASN A 803 13.459 3.459 -2.893 1.00 0.00 N ATOM 0 H ASN A 803 11.945 2.922 0.632 1.00 0.00 H new ATOM 0 HA ASN A 803 14.225 4.317 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.273 4.707 -0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 803 12.571 5.517 -1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 803 13.618 2.673 -3.523 1.00 0.00 H new ATOM 0 HD22 ASN A 803 14.056 4.284 -2.946 1.00 0.00 H new ATOM 1495 N PRO A 804 13.984 6.791 0.391 1.00 0.00 N ATOM 1496 CA PRO A 804 14.040 8.160 0.903 1.00 0.00 C ATOM 1497 C PRO A 804 13.114 9.083 0.102 1.00 0.00 C ATOM 1498 O PRO A 804 13.000 8.927 -1.113 1.00 0.00 O ATOM 1499 CB PRO A 804 15.489 8.527 0.625 1.00 0.00 C ATOM 1500 CG PRO A 804 15.763 7.864 -0.681 1.00 0.00 C ATOM 1501 CD PRO A 804 15.009 6.564 -0.649 1.00 0.00 C ATOM 0 HA PRO A 804 13.733 8.251 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.627 9.607 0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.154 8.164 1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.433 8.487 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 804 16.831 7.693 -0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.558 6.336 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.660 5.727 -0.396 1.00 0.00 H new ATOM 1509 N PRO A 805 12.424 10.045 0.753 1.00 0.00 N ATOM 1510 CA PRO A 805 11.530 10.979 0.053 1.00 0.00 C ATOM 1511 C PRO A 805 12.253 11.772 -1.040 1.00 0.00 C ATOM 1512 O PRO A 805 11.659 12.638 -1.684 1.00 0.00 O ATOM 1513 CB PRO A 805 11.049 11.922 1.160 1.00 0.00 C ATOM 1514 CG PRO A 805 11.223 11.149 2.420 1.00 0.00 C ATOM 1515 CD PRO A 805 12.434 10.287 2.203 1.00 0.00 C ATOM 0 HA PRO A 805 10.723 10.454 -0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.633 12.842 1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.008 12.208 1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 805 11.364 11.815 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 805 10.343 10.542 2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 805 13.347 10.790 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 805 12.371 9.356 2.766 1.00 0.00 H new ATOM 1523 N GLU A 806 13.538 11.473 -1.241 1.00 0.00 N ATOM 1524 CA GLU A 806 14.342 12.158 -2.247 1.00 0.00 C ATOM 1525 C GLU A 806 14.689 11.231 -3.412 1.00 0.00 C ATOM 1526 O GLU A 806 15.052 11.696 -4.493 1.00 0.00 O ATOM 1527 CB GLU A 806 15.626 12.683 -1.611 1.00 0.00 C ATOM 1528 CG GLU A 806 15.383 13.625 -0.443 1.00 0.00 C ATOM 1529 CD GLU A 806 16.669 14.077 0.221 1.00 0.00 C ATOM 1530 OE1 GLU A 806 17.251 15.083 -0.238 1.00 0.00 O ATOM 1531 OE2 GLU A 806 17.092 13.428 1.200 1.00 0.00 O ATOM 0 H GLU A 806 14.043 10.758 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 806 13.755 12.989 -2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 806 16.224 11.839 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 806 16.212 13.201 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 806 14.834 14.499 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 806 14.753 13.128 0.295 1.00 0.00 H new ATOM 1538 N SER A 807 14.582 9.923 -3.184 1.00 0.00 N ATOM 1539 CA SER A 807 14.889 8.936 -4.222 1.00 0.00 C ATOM 1540 C SER A 807 14.110 9.222 -5.488 1.00 0.00 C ATOM 1541 O SER A 807 14.623 9.835 -6.426 1.00 0.00 O ATOM 1542 CB SER A 807 14.559 7.523 -3.748 1.00 0.00 C ATOM 1543 OG SER A 807 15.740 6.779 -3.502 1.00 0.00 O ATOM 0 H SER A 807 14.286 9.522 -2.294 1.00 0.00 H new ATOM 0 HA SER A 807 15.957 9.007 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 807 13.960 7.572 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 807 13.956 7.015 -4.500 1.00 0.00 H new ATOM 0 HG SER A 807 15.518 5.827 -3.433 1.00 0.00 H new ATOM 1549 N GLU A 808 12.860 8.780 -5.491 1.00 0.00 N ATOM 1550 CA GLU A 808 11.984 8.952 -6.632 1.00 0.00 C ATOM 1551 C GLU A 808 10.660 8.242 -6.386 1.00 0.00 C ATOM 1552 O GLU A 808 9.587 8.824 -6.544 1.00 0.00 O ATOM 1553 CB GLU A 808 12.657 8.395 -7.886 1.00 0.00 C ATOM 1554 CG GLU A 808 11.684 7.978 -8.967 1.00 0.00 C ATOM 1555 CD GLU A 808 10.814 9.123 -9.449 1.00 0.00 C ATOM 1556 OE1 GLU A 808 11.351 10.043 -10.102 1.00 0.00 O ATOM 1557 OE2 GLU A 808 9.596 9.099 -9.177 1.00 0.00 O ATOM 0 H GLU A 808 12.430 8.294 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 808 11.788 10.014 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 808 13.333 9.149 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 808 13.267 7.536 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 808 12.239 7.569 -9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 808 11.047 7.179 -8.588 1.00 0.00 H new ATOM 1564 N TYR A 809 10.745 6.975 -5.996 1.00 0.00 N ATOM 1565 CA TYR A 809 9.551 6.184 -5.729 1.00 0.00 C ATOM 1566 C TYR A 809 8.856 6.669 -4.470 1.00 0.00 C ATOM 1567 O TYR A 809 7.632 6.717 -4.408 1.00 0.00 O ATOM 1568 CB TYR A 809 9.883 4.719 -5.576 1.00 0.00 C ATOM 1569 CG TYR A 809 11.145 4.314 -6.266 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.481 4.743 -7.539 1.00 0.00 C ATOM 1571 CD2 TYR A 809 12.013 3.522 -5.603 1.00 0.00 C ATOM 1572 CE1 TYR A 809 12.674 4.360 -8.117 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.194 3.133 -6.142 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.533 3.550 -7.413 1.00 0.00 C ATOM 1575 OH TYR A 809 14.723 3.163 -7.979 1.00 0.00 O ATOM 0 H TYR A 809 11.624 6.476 -5.858 1.00 0.00 H new ATOM 0 HA TYR A 809 8.886 6.307 -6.584 1.00 0.00 H new ATOM 0 HB2 TYR A 809 9.968 4.484 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.058 4.125 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 809 10.803 5.383 -8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.758 3.187 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 809 12.930 4.693 -9.112 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.866 2.501 -5.580 1.00 0.00 H new ATOM 0 HH TYR A 809 14.912 3.725 -8.759 1.00 0.00 H new ATOM 1585 N TYR A 810 9.651 6.998 -3.453 1.00 0.00 N ATOM 1586 CA TYR A 810 9.104 7.475 -2.189 1.00 0.00 C ATOM 1587 C TYR A 810 8.014 8.508 -2.422 1.00 0.00 C ATOM 1588 O TYR A 810 6.883 8.332 -1.981 1.00 0.00 O ATOM 1589 CB TYR A 810 10.196 8.069 -1.303 1.00 0.00 C ATOM 1590 CG TYR A 810 9.791 8.171 0.151 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.584 8.722 0.516 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.617 7.714 1.149 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.213 8.813 1.838 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.262 7.798 2.479 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.055 8.352 2.819 1.00 0.00 C ATOM 1596 OH TYR A 810 8.685 8.442 4.141 1.00 0.00 O ATOM 0 H TYR A 810 10.669 6.943 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 810 8.671 6.615 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.093 7.455 -1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.455 9.061 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 810 7.916 9.090 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.569 7.278 0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.260 9.247 2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 810 10.929 7.431 3.245 1.00 0.00 H new ATOM 0 HH TYR A 810 8.833 7.579 4.582 1.00 0.00 H new ATOM 1606 N LYS A 811 8.348 9.599 -3.089 1.00 0.00 N ATOM 1607 CA LYS A 811 7.349 10.620 -3.360 1.00 0.00 C ATOM 1608 C LYS A 811 6.223 9.994 -4.140 1.00 0.00 C ATOM 1609 O LYS A 811 5.063 10.284 -3.902 1.00 0.00 O ATOM 1610 CB LYS A 811 7.924 11.782 -4.155 1.00 0.00 C ATOM 1611 CG LYS A 811 9.422 11.900 -4.039 1.00 0.00 C ATOM 1612 CD LYS A 811 10.023 12.678 -5.199 1.00 0.00 C ATOM 1613 CE LYS A 811 9.816 11.965 -6.527 1.00 0.00 C ATOM 1614 NZ LYS A 811 8.583 12.427 -7.222 1.00 0.00 N ATOM 0 H LYS A 811 9.282 9.800 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 811 6.995 11.015 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 811 7.656 11.663 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.466 12.710 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.675 12.394 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.863 10.904 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 811 9.571 13.669 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 811 11.090 12.822 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 811 10.680 12.137 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 811 9.755 10.890 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 7.939 11.622 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 8.111 13.153 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 8.836 12.829 -8.147 1.00 0.00 H new ATOM 1628 N CYS A 812 6.586 9.135 -5.084 1.00 0.00 N ATOM 1629 CA CYS A 812 5.608 8.434 -5.896 1.00 0.00 C ATOM 1630 C CYS A 812 4.667 7.647 -4.997 1.00 0.00 C ATOM 1631 O CYS A 812 3.540 7.350 -5.370 1.00 0.00 O ATOM 1632 CB CYS A 812 6.310 7.491 -6.869 1.00 0.00 C ATOM 1633 SG CYS A 812 6.837 8.271 -8.412 1.00 0.00 S ATOM 0 H CYS A 812 7.556 8.908 -5.304 1.00 0.00 H new ATOM 0 HA CYS A 812 5.033 9.162 -6.468 1.00 0.00 H new ATOM 0 HB2 CYS A 812 7.182 7.063 -6.376 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.639 6.665 -7.104 1.00 0.00 H new ATOM 0 HG CYS A 812 8.125 8.444 -8.393 1.00 0.00 H new ATOM 1639 N ALA A 813 5.151 7.309 -3.811 1.00 0.00 N ATOM 1640 CA ALA A 813 4.356 6.575 -2.843 1.00 0.00 C ATOM 1641 C ALA A 813 3.313 7.499 -2.243 1.00 0.00 C ATOM 1642 O ALA A 813 2.133 7.190 -2.227 1.00 0.00 O ATOM 1643 CB ALA A 813 5.252 6.003 -1.762 1.00 0.00 C ATOM 0 H ALA A 813 6.095 7.533 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 813 3.849 5.747 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.647 5.454 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.980 5.329 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.774 6.815 -1.255 1.00 0.00 H new ATOM 1649 N ASN A 814 3.780 8.637 -1.757 1.00 0.00 N ATOM 1650 CA ASN A 814 2.937 9.661 -1.174 1.00 0.00 C ATOM 1651 C ASN A 814 1.958 10.180 -2.212 1.00 0.00 C ATOM 1652 O ASN A 814 0.777 10.408 -1.947 1.00 0.00 O ATOM 1653 CB ASN A 814 3.831 10.806 -0.736 1.00 0.00 C ATOM 1654 CG ASN A 814 3.164 11.741 0.255 1.00 0.00 C ATOM 1655 OD1 ASN A 814 3.453 12.938 0.285 1.00 0.00 O ATOM 1656 ND2 ASN A 814 2.268 11.202 1.073 1.00 0.00 N ATOM 0 H ASN A 814 4.771 8.877 -1.758 1.00 0.00 H new ATOM 0 HA ASN A 814 2.381 9.249 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.738 10.399 -0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.137 11.376 -1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 814 1.789 11.784 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 814 2.058 10.206 1.014 1.00 0.00 H new ATOM 1663 N ILE A 815 2.497 10.342 -3.405 1.00 0.00 N ATOM 1664 CA ILE A 815 1.776 10.846 -4.554 1.00 0.00 C ATOM 1665 C ILE A 815 0.681 9.887 -4.944 1.00 0.00 C ATOM 1666 O ILE A 815 -0.489 10.253 -5.025 1.00 0.00 O ATOM 1667 CB ILE A 815 2.741 11.048 -5.719 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.528 12.324 -5.491 1.00 0.00 C ATOM 1669 CG2 ILE A 815 2.007 11.079 -7.046 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.879 12.299 -6.127 1.00 0.00 C ATOM 0 H ILE A 815 3.472 10.121 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 815 1.322 11.803 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 815 3.431 10.205 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.963 13.168 -5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.640 12.488 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.723 11.224 -7.855 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.480 10.136 -7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.289 11.899 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.392 13.240 -5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.460 11.474 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.772 12.165 -7.203 1.00 0.00 H new ATOM 1682 N LEU A 816 1.080 8.659 -5.212 1.00 0.00 N ATOM 1683 CA LEU A 816 0.135 7.625 -5.544 1.00 0.00 C ATOM 1684 C LEU A 816 -0.869 7.531 -4.421 1.00 0.00 C ATOM 1685 O LEU A 816 -2.059 7.686 -4.623 1.00 0.00 O ATOM 1686 CB LEU A 816 0.855 6.295 -5.716 1.00 0.00 C ATOM 1687 CG LEU A 816 0.193 5.314 -6.654 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.972 4.038 -6.681 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.218 5.086 -6.231 1.00 0.00 C ATOM 0 H LEU A 816 2.055 8.358 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.370 7.862 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.864 6.492 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.953 5.826 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 816 0.178 5.721 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.491 3.333 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.987 4.238 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 816 1.007 3.612 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.692 4.378 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.234 4.683 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.762 6.030 -6.254 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.353 7.305 -3.230 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.169 7.209 -2.033 1.00 0.00 C ATOM 1703 C GLU A 817 -2.212 8.335 -2.002 1.00 0.00 C ATOM 1704 O GLU A 817 -3.284 8.195 -1.433 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.257 7.304 -0.812 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.920 6.889 0.492 1.00 0.00 C ATOM 1707 CD GLU A 817 -1.346 8.077 1.332 1.00 0.00 C ATOM 1708 OE1 GLU A 817 -2.383 8.693 1.009 1.00 0.00 O ATOM 1709 OE2 GLU A 817 -0.641 8.395 2.312 1.00 0.00 O ATOM 0 H GLU A 817 0.646 7.182 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.699 6.257 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.620 6.677 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.098 8.330 -0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.792 6.273 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -0.229 6.271 1.066 1.00 0.00 H new ATOM 1716 N LYS A 818 -1.873 9.459 -2.610 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.739 10.605 -2.692 1.00 0.00 C ATOM 1718 C LYS A 818 -3.791 10.414 -3.795 1.00 0.00 C ATOM 1719 O LYS A 818 -4.993 10.512 -3.538 1.00 0.00 O ATOM 1720 CB LYS A 818 -1.820 11.763 -2.925 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.260 12.684 -3.995 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.070 13.361 -4.642 1.00 0.00 C ATOM 1723 CE LYS A 818 -1.136 13.246 -6.151 1.00 0.00 C ATOM 1724 NZ LYS A 818 -2.359 13.891 -6.705 1.00 0.00 N ATOM 0 H LYS A 818 -0.971 9.595 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.327 10.768 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.720 12.325 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -0.830 11.381 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.824 12.132 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -2.932 13.436 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.044 14.412 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.147 12.908 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.252 13.709 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.120 12.194 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -2.236 14.049 -7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -3.180 13.272 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -2.516 14.803 -6.230 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.337 10.141 -5.018 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.246 9.886 -6.132 1.00 0.00 C ATOM 1740 C PHE A 819 -5.152 8.742 -5.720 1.00 0.00 C ATOM 1741 O PHE A 819 -6.378 8.843 -5.756 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.425 9.531 -7.377 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.148 8.759 -8.458 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.561 7.450 -8.247 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.372 9.328 -9.700 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.180 6.733 -9.231 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.002 8.611 -10.700 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.405 7.309 -10.466 1.00 0.00 C ATOM 0 H PHE A 819 -2.348 10.091 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 819 -4.850 10.761 -6.372 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.046 10.456 -7.812 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.559 8.949 -7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.389 6.990 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.051 10.342 -9.889 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.493 5.717 -9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.179 9.067 -11.663 1.00 0.00 H new ATOM 0 HZ PHE A 819 -5.894 6.745 -11.246 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.503 7.641 -5.362 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.168 6.461 -4.859 1.00 0.00 C ATOM 1760 C PHE A 820 -6.216 6.898 -3.871 1.00 0.00 C ATOM 1761 O PHE A 820 -7.363 6.505 -3.990 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.116 5.526 -4.262 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.440 4.852 -2.971 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -5.026 3.649 -3.018 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -4.085 5.363 -1.744 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -5.284 2.928 -1.900 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -4.354 4.650 -0.584 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.959 3.416 -0.671 1.00 0.00 C ATOM 0 H PHE A 820 -3.489 7.548 -5.416 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.677 5.903 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -3.898 4.753 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.200 6.099 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -5.302 3.240 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -3.595 6.323 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -5.751 1.958 -1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -4.091 5.060 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.172 2.845 0.221 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.836 7.788 -2.953 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.778 8.285 -1.962 1.00 0.00 C ATOM 1780 C PHE A 821 -8.033 8.847 -2.600 1.00 0.00 C ATOM 1781 O PHE A 821 -9.117 8.662 -2.078 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.122 9.287 -1.028 1.00 0.00 C ATOM 1783 CG PHE A 821 -5.929 8.697 0.331 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.206 7.544 0.434 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.504 9.235 1.469 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.033 6.906 1.636 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.332 8.615 2.697 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.594 7.443 2.780 1.00 0.00 C ATOM 0 H PHE A 821 -4.894 8.172 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.089 7.432 -1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.159 9.595 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.739 10.183 -0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.758 7.123 -0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.088 10.141 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.462 5.990 1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.771 9.043 3.586 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.459 6.953 3.733 1.00 0.00 H new ATOM 1798 N SER A 822 -7.901 9.523 -3.729 1.00 0.00 N ATOM 1799 CA SER A 822 -9.077 10.061 -4.403 1.00 0.00 C ATOM 1800 C SER A 822 -9.879 8.934 -5.053 1.00 0.00 C ATOM 1801 O SER A 822 -11.081 9.064 -5.269 1.00 0.00 O ATOM 1802 CB SER A 822 -8.674 11.102 -5.449 1.00 0.00 C ATOM 1803 OG SER A 822 -9.809 11.613 -6.127 1.00 0.00 O ATOM 0 H SER A 822 -7.012 9.711 -4.193 1.00 0.00 H new ATOM 0 HA SER A 822 -9.704 10.551 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.138 11.919 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 822 -7.989 10.653 -6.168 1.00 0.00 H new ATOM 0 HG SER A 822 -9.523 12.277 -6.789 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.199 7.830 -5.360 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.843 6.662 -5.964 1.00 0.00 C ATOM 1811 C LYS A 823 -10.632 5.915 -4.915 1.00 0.00 C ATOM 1812 O LYS A 823 -11.839 5.740 -5.037 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.780 5.753 -6.586 1.00 0.00 C ATOM 1814 CG LYS A 823 -7.910 6.443 -7.613 1.00 0.00 C ATOM 1815 CD LYS A 823 -8.726 7.233 -8.608 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.065 8.551 -8.936 1.00 0.00 C ATOM 1817 NZ LYS A 823 -9.060 9.629 -9.196 1.00 0.00 N ATOM 0 H LYS A 823 -8.198 7.719 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.527 6.987 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.145 5.357 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.273 4.901 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.211 7.109 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.315 5.699 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -8.854 6.651 -9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.722 7.414 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.418 8.847 -8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -7.428 8.428 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.562 10.515 -9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.661 9.360 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -9.652 9.766 -8.352 1.00 0.00 H new ATOM 1831 N ILE A 824 -9.941 5.464 -3.893 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.592 4.794 -2.789 1.00 0.00 C ATOM 1833 C ILE A 824 -11.736 5.664 -2.295 1.00 0.00 C ATOM 1834 O ILE A 824 -12.856 5.208 -2.101 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.622 4.583 -1.645 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.539 5.592 -1.711 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -9.028 3.202 -1.698 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.450 5.338 -0.737 1.00 0.00 C ATOM 0 H ILE A 824 -8.929 5.549 -3.803 1.00 0.00 H new ATOM 0 HA ILE A 824 -10.957 3.826 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.167 4.693 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.122 5.604 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -8.960 6.581 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.334 3.072 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.824 2.461 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.495 3.071 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.687 6.111 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.856 5.354 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -7.006 4.362 -0.934 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.419 6.945 -2.136 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.376 7.945 -1.673 1.00 0.00 C ATOM 1852 C LYS A 825 -13.636 7.856 -2.502 1.00 0.00 C ATOM 1853 O LYS A 825 -14.753 7.751 -1.993 1.00 0.00 O ATOM 1854 CB LYS A 825 -11.816 9.362 -1.856 1.00 0.00 C ATOM 1855 CG LYS A 825 -11.459 10.088 -0.570 1.00 0.00 C ATOM 1856 CD LYS A 825 -12.637 10.849 -0.009 1.00 0.00 C ATOM 1857 CE LYS A 825 -13.506 9.942 0.833 1.00 0.00 C ATOM 1858 NZ LYS A 825 -13.034 9.872 2.244 1.00 0.00 N ATOM 0 H LYS A 825 -10.489 7.320 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.576 7.753 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -10.925 9.305 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.550 9.958 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.107 9.367 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -10.637 10.778 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.283 11.685 0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -13.225 11.271 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.534 10.303 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.510 8.941 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -13.656 9.240 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -12.062 9.504 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -13.054 10.823 2.664 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.407 7.906 -3.802 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.458 7.859 -4.795 1.00 0.00 C ATOM 1874 C GLU A 826 -15.236 6.565 -4.687 1.00 0.00 C ATOM 1875 O GLU A 826 -16.443 6.523 -4.927 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.829 7.986 -6.189 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.726 6.673 -6.947 1.00 0.00 C ATOM 1878 CD GLU A 826 -15.010 6.302 -7.667 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -15.368 6.999 -8.639 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -15.658 5.316 -7.257 1.00 0.00 O ATOM 0 H GLU A 826 -12.471 7.981 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.151 8.683 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.418 8.688 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.831 8.414 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -12.916 6.741 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -13.464 5.877 -6.250 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.530 5.511 -4.322 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.132 4.206 -4.215 1.00 0.00 C ATOM 1889 C ALA A 827 -15.592 3.875 -2.800 1.00 0.00 C ATOM 1890 O ALA A 827 -15.713 2.709 -2.457 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.158 3.166 -4.718 1.00 0.00 C ATOM 0 H ALA A 827 -13.536 5.539 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.031 4.206 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.609 2.177 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -13.913 3.371 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.249 3.199 -4.118 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.844 4.889 -1.979 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.299 4.633 -0.618 1.00 0.00 C ATOM 1899 C GLY A 828 -15.344 3.748 0.155 1.00 0.00 C ATOM 1900 O GLY A 828 -15.731 3.088 1.118 1.00 0.00 O ATOM 0 H GLY A 828 -15.744 5.874 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.417 5.581 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.281 4.162 -0.649 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.091 3.755 -0.262 1.00 0.00 N ATOM 1905 CA LEU A 829 -13.062 2.936 0.356 1.00 0.00 C ATOM 1906 C LEU A 829 -12.601 3.527 1.678 1.00 0.00 C ATOM 1907 O LEU A 829 -13.211 3.264 2.713 1.00 0.00 O ATOM 1908 CB LEU A 829 -11.915 2.787 -0.629 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.313 2.088 -1.936 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.168 1.368 -2.577 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.426 1.092 -1.703 1.00 0.00 C ATOM 0 H LEU A 829 -13.757 4.327 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.466 1.951 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.517 3.775 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.112 2.223 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.647 2.881 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.507 0.892 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.374 2.079 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.788 0.608 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.688 0.612 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.095 0.336 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.299 1.609 -1.304 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.521 4.310 1.635 1.00 0.00 N ATOM 1924 CA ILE A 830 -10.981 4.964 2.814 1.00 0.00 C ATOM 1925 C ILE A 830 -11.971 5.025 3.961 1.00 0.00 C ATOM 1926 O ILE A 830 -13.021 5.662 3.862 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.540 6.376 2.473 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.561 6.558 0.968 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.146 6.619 2.997 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.649 7.629 0.489 1.00 0.00 C ATOM 0 H ILE A 830 -11.001 4.504 0.779 1.00 0.00 H new ATOM 0 HA ILE A 830 -10.132 4.362 3.138 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.221 7.090 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.285 5.617 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.578 6.789 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -8.836 7.634 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.137 6.491 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.457 5.908 2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.715 7.704 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -9.938 8.580 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.625 7.389 0.775 1.00 0.00 H new ATOM 1942 N ASP A 831 -11.624 4.363 5.047 1.00 0.00 N ATOM 1943 CA ASP A 831 -12.483 4.327 6.220 1.00 0.00 C ATOM 1944 C ASP A 831 -11.661 4.128 7.489 1.00 0.00 C ATOM 1945 O ASP A 831 -11.959 4.710 8.532 1.00 0.00 O ATOM 1946 CB ASP A 831 -13.515 3.207 6.085 1.00 0.00 C ATOM 1947 CG ASP A 831 -14.450 3.134 7.277 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -15.497 3.816 7.254 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -14.135 2.397 8.234 1.00 0.00 O ATOM 0 H ASP A 831 -10.753 3.841 5.144 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.002 5.283 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -14.099 3.362 5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -12.999 2.253 5.973 1.00 0.00 H new ATOM 1954 N LYS A 832 -10.628 3.296 7.388 1.00 0.00 N ATOM 1955 CA LYS A 832 -9.754 3.011 8.521 1.00 0.00 C ATOM 1956 C LYS A 832 -9.191 4.299 9.116 1.00 0.00 C ATOM 1957 O LYS A 832 -9.268 4.460 10.353 1.00 0.00 O ATOM 1958 CB LYS A 832 -8.615 2.081 8.087 1.00 0.00 C ATOM 1959 CG LYS A 832 -7.763 2.635 6.955 1.00 0.00 C ATOM 1960 CD LYS A 832 -6.491 3.281 7.478 1.00 0.00 C ATOM 1961 CE LYS A 832 -5.733 3.997 6.373 1.00 0.00 C ATOM 1962 NZ LYS A 832 -6.548 5.076 5.750 1.00 0.00 N ATOM 1963 OXT LYS A 832 -8.692 5.142 8.342 1.00 0.00 O ATOM 0 H LYS A 832 -10.376 2.806 6.530 1.00 0.00 H new ATOM 0 HA LYS A 832 -10.344 2.514 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -7.975 1.882 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -9.038 1.126 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -7.507 1.831 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -8.339 3.368 6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -6.740 3.990 8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -5.852 2.519 7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -4.816 4.423 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -5.439 3.277 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -5.962 5.926 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -6.897 4.757 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -7.356 5.300 6.365 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 9.032 5.885 -15.646 1.00 0.00 N ATOM 1979 CA SER B 31 8.682 5.121 -16.870 1.00 0.00 C ATOM 1980 C SER B 31 9.729 4.053 -17.168 1.00 0.00 C ATOM 1981 O SER B 31 9.407 2.977 -17.673 1.00 0.00 O ATOM 1982 CB SER B 31 8.553 6.067 -18.066 1.00 0.00 C ATOM 1983 OG SER B 31 7.521 7.016 -17.858 1.00 0.00 O ATOM 0 HA SER B 31 7.726 4.628 -16.696 1.00 0.00 H new ATOM 0 HB2 SER B 31 9.499 6.584 -18.228 1.00 0.00 H new ATOM 0 HB3 SER B 31 8.345 5.491 -18.968 1.00 0.00 H new ATOM 0 HG SER B 31 7.408 7.171 -16.897 1.00 0.00 H new ATOM 1991 N THR B 32 10.985 4.356 -16.851 1.00 0.00 N ATOM 1992 CA THR B 32 12.081 3.422 -17.085 1.00 0.00 C ATOM 1993 C THR B 32 12.998 3.334 -15.869 1.00 0.00 C ATOM 1994 O THR B 32 13.704 4.287 -15.543 1.00 0.00 O ATOM 1995 CB THR B 32 12.916 3.830 -18.312 1.00 0.00 C ATOM 1996 OG1 THR B 32 13.471 5.136 -18.117 1.00 0.00 O ATOM 1997 CG2 THR B 32 12.065 3.819 -19.573 1.00 0.00 C ATOM 0 H THR B 32 11.268 5.241 -16.431 1.00 0.00 H new ATOM 0 HA THR B 32 11.630 2.447 -17.269 1.00 0.00 H new ATOM 0 HB THR B 32 13.723 3.107 -18.430 1.00 0.00 H new ATOM 0 HG1 THR B 32 13.735 5.243 -17.179 1.00 0.00 H new ATOM 0 HG21 THR B 32 12.676 4.111 -20.427 1.00 0.00 H new ATOM 0 HG22 THR B 32 11.669 2.817 -19.736 1.00 0.00 H new ATOM 0 HG23 THR B 32 11.239 4.522 -19.461 1.00 0.00 H new ATOM 2005 N GLY B 33 12.982 2.183 -15.203 1.00 0.00 N ATOM 2006 CA GLY B 33 13.818 1.995 -14.032 1.00 0.00 C ATOM 2007 C GLY B 33 13.856 0.553 -13.564 1.00 0.00 C ATOM 2008 O GLY B 33 13.048 0.144 -12.730 1.00 0.00 O ATOM 0 H GLY B 33 12.406 1.379 -15.453 1.00 0.00 H new ATOM 0 HA2 GLY B 33 14.832 2.326 -14.258 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.450 2.626 -13.223 1.00 0.00 H new ATOM 2012 N GLY B 34 14.797 -0.218 -14.102 1.00 0.00 N ATOM 2013 CA GLY B 34 14.923 -1.612 -13.718 1.00 0.00 C ATOM 2014 C GLY B 34 15.512 -1.774 -12.330 1.00 0.00 C ATOM 2015 O GLY B 34 15.451 -2.853 -11.743 1.00 0.00 O ATOM 0 H GLY B 34 15.474 0.098 -14.797 1.00 0.00 H new ATOM 0 HA2 GLY B 34 13.942 -2.086 -13.752 1.00 0.00 H new ATOM 0 HA3 GLY B 34 15.553 -2.130 -14.441 1.00 0.00 H new ATOM 2019 N VAL B 35 16.085 -0.694 -11.810 1.00 0.00 N ATOM 2020 CA VAL B 35 16.689 -0.709 -10.483 1.00 0.00 C ATOM 2021 C VAL B 35 15.668 -0.336 -9.416 1.00 0.00 C ATOM 2022 O VAL B 35 14.470 -0.255 -9.688 1.00 0.00 O ATOM 2023 CB VAL B 35 17.875 0.273 -10.396 1.00 0.00 C ATOM 2024 CG1 VAL B 35 18.884 -0.008 -11.501 1.00 0.00 C ATOM 2025 CG2 VAL B 35 17.384 1.717 -10.462 1.00 0.00 C ATOM 0 H VAL B 35 16.144 0.205 -12.289 1.00 0.00 H new ATOM 0 HA VAL B 35 17.048 -1.723 -10.309 1.00 0.00 H new ATOM 0 HB VAL B 35 18.372 0.128 -9.437 1.00 0.00 H new ATOM 0 HG11 VAL B 35 19.714 0.695 -11.423 1.00 0.00 H new ATOM 0 HG12 VAL B 35 19.260 -1.026 -11.400 1.00 0.00 H new ATOM 0 HG13 VAL B 35 18.402 0.106 -12.472 1.00 0.00 H new ATOM 0 HG21 VAL B 35 18.236 2.394 -10.399 1.00 0.00 H new ATOM 0 HG22 VAL B 35 16.859 1.880 -11.403 1.00 0.00 H new ATOM 0 HG23 VAL B 35 16.706 1.909 -9.631 1.00 0.00 H new HETATM 2035 OH ALY B 36 10.301 1.323 -3.735 1.00 0.00 O HETATM 2036 CH ALY B 36 9.972 0.352 -4.412 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.505 -0.100 -4.396 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.833 -0.271 -5.215 1.00 0.00 N HETATM 2039 CE ALY B 36 11.401 -1.593 -4.941 1.00 0.00 C HETATM 2040 CD ALY B 36 12.690 -1.820 -5.702 1.00 0.00 C HETATM 2041 CG ALY B 36 13.687 -0.762 -5.410 1.00 0.00 C HETATM 2042 CB ALY B 36 14.887 -0.969 -6.287 1.00 0.00 C HETATM 2043 CA ALY B 36 15.290 0.267 -7.093 1.00 0.00 C HETATM 2044 N ALY B 36 16.154 -0.110 -8.201 1.00 0.00 N HETATM 2045 C ALY B 36 15.985 1.296 -6.216 1.00 0.00 C HETATM 2046 O ALY B 36 15.826 1.295 -4.995 1.00 0.00 O HETATM 0 HH33 ALY B 36 8.217 -0.365 -3.379 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.870 0.711 -4.753 1.00 0.00 H new HETATM 0 HH31 ALY B 36 8.385 -0.968 -5.045 1.00 0.00 H new HETATM 0 HZ ALY B 36 11.114 0.202 -6.074 1.00 0.00 H new HETATM 0 HG3 ALY B 36 13.977 -0.797 -4.360 1.00 0.00 H new HETATM 0 HG2 ALY B 36 13.255 0.223 -5.589 1.00 0.00 H new HETATM 0 HE3 ALY B 36 10.678 -2.362 -5.212 1.00 0.00 H new HETATM 0 HE2 ALY B 36 11.588 -1.694 -3.872 1.00 0.00 H new HETATM 0 HD3 ALY B 36 12.483 -1.841 -6.772 1.00 0.00 H new HETATM 0 HD2 ALY B 36 13.103 -2.794 -5.438 1.00 0.00 H new HETATM 0 HCA ALY B 36 14.380 0.718 -7.488 1.00 0.00 H new HETATM 0 HB3 ALY B 36 14.684 -1.789 -6.976 1.00 0.00 H new HETATM 0 HB2 ALY B 36 15.729 -1.276 -5.666 1.00 0.00 H new ATOM 2061 N LYS B 37 16.742 2.179 -6.877 1.00 0.00 N ATOM 2062 CA LYS B 37 17.482 3.247 -6.212 1.00 0.00 C ATOM 2063 C LYS B 37 17.785 2.881 -4.768 1.00 0.00 C ATOM 2064 O LYS B 37 17.243 3.483 -3.841 1.00 0.00 O ATOM 2065 CB LYS B 37 16.702 4.565 -6.280 1.00 0.00 C ATOM 2066 CG LYS B 37 17.497 5.769 -5.796 1.00 0.00 C ATOM 2067 CD LYS B 37 16.950 7.067 -6.369 1.00 0.00 C ATOM 2068 CE LYS B 37 17.330 7.234 -7.832 1.00 0.00 C ATOM 2069 NZ LYS B 37 16.711 8.449 -8.433 1.00 0.00 N ATOM 0 H LYS B 37 16.856 2.169 -7.891 1.00 0.00 H new ATOM 0 HA LYS B 37 18.430 3.378 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS B 37 16.387 4.738 -7.309 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.797 4.473 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS B 37 17.469 5.811 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS B 37 18.542 5.655 -6.084 1.00 0.00 H new ATOM 0 HD2 LYS B 37 15.865 7.081 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS B 37 17.333 7.910 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS B 37 18.415 7.298 -7.920 1.00 0.00 H new ATOM 0 HE3 LYS B 37 17.016 6.353 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 16.186 8.183 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 16.059 8.882 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 17.456 9.131 -8.681 1.00 0.00 H new ATOM 2083 N PRO B 38 18.645 1.863 -4.569 1.00 0.00 N ATOM 2084 CA PRO B 38 19.030 1.393 -3.243 1.00 0.00 C ATOM 2085 C PRO B 38 19.185 2.543 -2.243 1.00 0.00 C ATOM 2086 O PRO B 38 19.519 3.663 -2.632 1.00 0.00 O ATOM 2087 CB PRO B 38 20.388 0.760 -3.517 1.00 0.00 C ATOM 2088 CG PRO B 38 20.248 0.171 -4.878 1.00 0.00 C ATOM 2089 CD PRO B 38 19.320 1.088 -5.634 1.00 0.00 C ATOM 0 HA PRO B 38 18.290 0.726 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO B 38 21.187 1.501 -3.484 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.629 -0.002 -2.776 1.00 0.00 H new ATOM 0 HG2 PRO B 38 21.216 0.100 -5.374 1.00 0.00 H new ATOM 0 HG3 PRO B 38 19.842 -0.839 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO B 38 19.868 1.738 -6.316 1.00 0.00 H new ATOM 0 HD3 PRO B 38 18.605 0.527 -6.235 1.00 0.00 H new ATOM 2097 N HIS B 39 18.962 2.273 -0.960 1.00 0.00 N ATOM 2098 CA HIS B 39 19.088 3.310 0.065 1.00 0.00 C ATOM 2099 C HIS B 39 19.082 2.702 1.470 1.00 0.00 C ATOM 2100 O HIS B 39 18.836 1.507 1.635 1.00 0.00 O ATOM 2101 CB HIS B 39 17.950 4.334 -0.089 1.00 0.00 C ATOM 2102 CG HIS B 39 18.037 5.490 0.865 1.00 0.00 C ATOM 2103 ND1 HIS B 39 17.582 5.429 2.165 1.00 0.00 N ATOM 2104 CD2 HIS B 39 18.538 6.738 0.703 1.00 0.00 C ATOM 2105 CE1 HIS B 39 17.800 6.588 2.762 1.00 0.00 C ATOM 2106 NE2 HIS B 39 18.380 7.398 1.896 1.00 0.00 N ATOM 0 H HIS B 39 18.695 1.355 -0.605 1.00 0.00 H new ATOM 0 HA HIS B 39 20.043 3.817 -0.070 1.00 0.00 H new ATOM 0 HB2 HIS B 39 17.955 4.717 -1.110 1.00 0.00 H new ATOM 0 HB3 HIS B 39 16.996 3.827 0.056 1.00 0.00 H new ATOM 0 HD1 HIS B 39 17.145 4.616 2.599 1.00 0.00 H new ATOM 0 HD2 HIS B 39 18.980 7.139 -0.197 1.00 0.00 H new ATOM 0 HE1 HIS B 39 17.547 6.831 3.783 1.00 0.00 H new ATOM 2115 N ARG B 40 19.382 3.519 2.478 1.00 0.00 N ATOM 2116 CA ARG B 40 19.392 3.051 3.861 1.00 0.00 C ATOM 2117 C ARG B 40 18.009 2.547 4.260 1.00 0.00 C ATOM 2118 O ARG B 40 17.028 2.782 3.554 1.00 0.00 O ATOM 2119 CB ARG B 40 19.836 4.170 4.805 1.00 0.00 C ATOM 2120 CG ARG B 40 21.278 4.602 4.602 1.00 0.00 C ATOM 2121 CD ARG B 40 21.756 5.498 5.732 1.00 0.00 C ATOM 2122 NE ARG B 40 21.676 4.830 7.028 1.00 0.00 N ATOM 2123 CZ ARG B 40 22.215 5.316 8.144 1.00 0.00 C ATOM 2124 NH1 ARG B 40 22.875 6.466 8.120 1.00 0.00 N ATOM 2125 NH2 ARG B 40 22.094 4.649 9.284 1.00 0.00 N ATOM 0 H ARG B 40 19.620 4.504 2.363 1.00 0.00 H new ATOM 0 HA ARG B 40 20.103 2.228 3.939 1.00 0.00 H new ATOM 0 HB2 ARG B 40 19.184 5.032 4.664 1.00 0.00 H new ATOM 0 HB3 ARG B 40 19.707 3.837 5.835 1.00 0.00 H new ATOM 0 HG2 ARG B 40 21.917 3.721 4.540 1.00 0.00 H new ATOM 0 HG3 ARG B 40 21.370 5.131 3.653 1.00 0.00 H new ATOM 0 HD2 ARG B 40 22.786 5.802 5.543 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.154 6.407 5.754 1.00 0.00 H new ATOM 0 HE ARG B 40 21.179 3.941 7.081 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.971 6.981 7.245 1.00 0.00 H new ATOM 0 HH12 ARG B 40 23.287 6.836 8.977 1.00 0.00 H new ATOM 0 HH21 ARG B 40 21.588 3.764 9.306 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.507 5.021 10.139 1.00 0.00 H new ATOM 2139 N TYR B 41 17.934 1.857 5.396 1.00 0.00 N ATOM 2140 CA TYR B 41 16.666 1.311 5.876 1.00 0.00 C ATOM 2141 C TYR B 41 16.836 0.622 7.228 1.00 0.00 C ATOM 2142 O TYR B 41 17.720 0.974 8.009 1.00 0.00 O ATOM 2143 CB TYR B 41 16.112 0.318 4.845 1.00 0.00 C ATOM 2144 CG TYR B 41 17.149 -0.642 4.305 1.00 0.00 C ATOM 2145 CD1 TYR B 41 17.994 -1.358 5.147 1.00 0.00 C ATOM 2146 CD2 TYR B 41 17.285 -0.821 2.941 1.00 0.00 C ATOM 2147 CE1 TYR B 41 18.940 -2.226 4.637 1.00 0.00 C ATOM 2148 CE2 TYR B 41 18.226 -1.682 2.423 1.00 0.00 C ATOM 2149 CZ TYR B 41 19.052 -2.384 3.273 1.00 0.00 C ATOM 2150 OH TYR B 41 19.992 -3.247 2.758 1.00 0.00 O ATOM 0 H TYR B 41 18.733 1.663 6.000 1.00 0.00 H new ATOM 0 HA TYR B 41 15.964 2.134 6.006 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.304 -0.254 5.302 1.00 0.00 H new ATOM 0 HB3 TYR B 41 15.678 0.875 4.014 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.909 -1.233 6.216 1.00 0.00 H new ATOM 0 HD2 TYR B 41 16.640 -0.275 2.269 1.00 0.00 H new ATOM 0 HE1 TYR B 41 19.587 -2.777 5.303 1.00 0.00 H new ATOM 0 HE2 TYR B 41 18.316 -1.807 1.354 1.00 0.00 H new ATOM 0 HH TYR B 41 19.680 -3.595 1.897 1.00 0.00 H new ATOM 2160 N LYS B 42 15.981 -0.362 7.493 1.00 0.00 N ATOM 2161 CA LYS B 42 16.033 -1.114 8.739 1.00 0.00 C ATOM 2162 C LYS B 42 17.392 -1.785 8.919 1.00 0.00 C ATOM 2163 O LYS B 42 17.837 -2.549 8.062 1.00 0.00 O ATOM 2164 CB LYS B 42 14.924 -2.166 8.755 1.00 0.00 C ATOM 2165 CG LYS B 42 13.626 -1.672 9.373 1.00 0.00 C ATOM 2166 CD LYS B 42 12.581 -2.775 9.433 1.00 0.00 C ATOM 2167 CE LYS B 42 11.345 -2.332 10.199 1.00 0.00 C ATOM 2168 NZ LYS B 42 10.319 -3.409 10.273 1.00 0.00 N ATOM 0 H LYS B 42 15.241 -0.657 6.856 1.00 0.00 H new ATOM 0 HA LYS B 42 15.886 -0.419 9.566 1.00 0.00 H new ATOM 0 HB2 LYS B 42 14.729 -2.492 7.733 1.00 0.00 H new ATOM 0 HB3 LYS B 42 15.271 -3.039 9.308 1.00 0.00 H new ATOM 0 HG2 LYS B 42 13.820 -1.298 10.378 1.00 0.00 H new ATOM 0 HG3 LYS B 42 13.240 -0.835 8.791 1.00 0.00 H new ATOM 0 HD2 LYS B 42 12.298 -3.065 8.421 1.00 0.00 H new ATOM 0 HD3 LYS B 42 13.009 -3.657 9.910 1.00 0.00 H new ATOM 0 HE2 LYS B 42 11.631 -2.034 11.208 1.00 0.00 H new ATOM 0 HE3 LYS B 42 10.915 -1.454 9.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 9.493 -3.066 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 10.026 -3.676 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 10.720 -4.238 10.756 1.00 0.00 H new ATOM 2182 N CYS B 43 18.047 -1.494 10.039 1.00 0.00 N ATOM 2183 CA CYS B 43 19.355 -2.070 10.332 1.00 0.00 C ATOM 2184 C CYS B 43 19.396 -2.649 11.745 1.00 0.00 C ATOM 2185 O CYS B 43 19.150 -3.864 11.891 1.00 0.00 O ATOM 2186 CB CYS B 43 20.452 -1.014 10.161 1.00 0.00 C ATOM 2187 SG CYS B 43 20.159 0.517 11.075 1.00 0.00 S ATOM 2188 OXT CYS B 43 19.673 -1.883 12.692 1.00 0.00 O ATOM 0 H CYS B 43 17.693 -0.863 10.758 1.00 0.00 H new ATOM 0 HA CYS B 43 19.532 -2.882 9.627 1.00 0.00 H new ATOM 0 HB2 CYS B 43 21.403 -1.439 10.483 1.00 0.00 H new ATOM 0 HB3 CYS B 43 20.551 -0.778 9.102 1.00 0.00 H new ATOM 0 HG CYS B 43 19.682 0.236 12.251 1.00 0.00 H new TER 2194 CYS B 43