USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=46 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 H : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD Set 1.1: A 807 SER OG : rot -172:sc= -0.597 USER MOD Set 1.2: A 809 TYR OH : rot 160:sc= -0.555 USER MOD Set 2.1: A 799 CYS SG : rot 157:sc= -15! USER MOD Set 2.2: A 803 ASN : amide:sc= -1.67 K(o=-17,f=-18) USER MOD Set 3.1: A 789 MET CE :methyl -142:sc= -10.7! (180deg=-12.9!) USER MOD Set 3.2: A 793 GLN :FLIP amide:sc= -1.68 F(o=-17!,f=-12) USER MOD Set 3.3: A 832 LYS NZ :NH3+ -125:sc= 0 (180deg=0) USER MOD Set 4.1: A 773 MET CE :methyl -114:sc= -11.2! (180deg=-13!) USER MOD Set 4.2: A 782 TYR OH : rot -36:sc= -6.57! USER MOD Set 5.1: A 744 SER OG : rot -48:sc= 0.488 USER MOD Set 5.2: A 812 CYS SG : rot 95:sc= -0.728! USER MOD Set 6.1: A 729 TYR OH : rot 165:sc= 0.374 USER MOD Set 6.2: A 733 LYS NZ :NH3+ -162:sc= 0.396 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 717 HIS : no HD1:sc=-0.00331 X(o=-0.0033,f=0) USER MOD Single : A 718 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.45) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 104:sc= 1.15 USER MOD Single : A 734 SER OG : rot 66:sc= 0.0968 USER MOD Single : A 737 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.6!) USER MOD Single : A 738 GLN :FLIP amide:sc= -2.98! C(o=-7.8!,f=-3!) USER MOD Single : A 740 LYS NZ :NH3+ -170:sc= -1.2 (180deg=-1.46) USER MOD Single : A 741 SER OG : rot -42:sc= 0.0187 USER MOD Single : A 742 HIS : no HD1:sc= -9.84! C(o=-9.8!,f=-18!) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 749 MET CE :methyl 145:sc= -2.88! (180deg=-4.4!) USER MOD Single : A 753 LYS NZ :NH3+ 156:sc= -0.2 (180deg=-0.775) USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 760 TYR OH : rot 172:sc= -1.5! USER MOD Single : A 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl -121:sc= -3.57 (180deg=-7.13!) USER MOD Single : A 771 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0384) USER MOD Single : A 772 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 774 SER OG : rot -26:sc= 0.972 USER MOD Single : A 778 LYS NZ :NH3+ 164:sc= -0.01 (180deg=-0.147) USER MOD Single : A 779 ASN :FLIP amide:sc= -3.91! C(o=-7.5!,f=-3.9!) USER MOD Single : A 781 TYR OH : rot 180:sc= -1.26! USER MOD Single : A 784 SER OG : rot 41:sc= 0.695 USER MOD Single : A 785 LYS NZ :NH3+ -158:sc= -6.1! (180deg=-6.71!) USER MOD Single : A 786 LYS NZ :NH3+ -170:sc= -0.97 (180deg=-1.16) USER MOD Single : A 797 THR OG1 : rot -77:sc= 1.27 USER MOD Single : A 798 ASN : amide:sc= -8.45! C(o=-8.5!,f=-8.6!) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 802 TYR OH : rot 13:sc= 0.282 USER MOD Single : A 810 TYR OH : rot 126:sc= 0.173 USER MOD Single : A 811 LYS NZ :NH3+ -149:sc= 0.00526 (180deg=0) USER MOD Single : A 814 ASN : amide:sc= -0.0339 K(o=-0.034,f=-1.1) USER MOD Single : A 818 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0286) USER MOD Single : A 822 SER OG : rot 180:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot 27:sc= 0.0616 USER MOD Single : B 32 THR OG1 : rot 180:sc= -0.0093 USER MOD Single : B 37 LYS NZ :NH3+ -139:sc= -0.622 (180deg=-3.11!) USER MOD Single : B 39 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-6.1!) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 CYS SG : rot 0:sc= -0.496 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -31.956 0.858 0.780 1.00 0.00 N ATOM 2 CA GLY A 715 -30.785 1.701 0.412 1.00 0.00 C ATOM 3 C GLY A 715 -29.971 1.102 -0.718 1.00 0.00 C ATOM 4 O GLY A 715 -28.773 0.857 -0.566 1.00 0.00 O ATOM 0 HA2 GLY A 715 -31.132 2.692 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -30.147 1.832 1.286 1.00 0.00 H new ATOM 10 N SER A 716 -30.620 0.866 -1.853 1.00 0.00 N ATOM 11 CA SER A 716 -29.948 0.293 -3.013 1.00 0.00 C ATOM 12 C SER A 716 -29.441 1.389 -3.946 1.00 0.00 C ATOM 13 O SER A 716 -30.183 2.304 -4.303 1.00 0.00 O ATOM 14 CB SER A 716 -30.895 -0.640 -3.770 1.00 0.00 C ATOM 15 OG SER A 716 -31.336 -1.701 -2.942 1.00 0.00 O ATOM 0 H SER A 716 -31.611 1.063 -1.994 1.00 0.00 H new ATOM 0 HA SER A 716 -29.092 -0.281 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 716 -31.754 -0.075 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 716 -30.388 -1.045 -4.646 1.00 0.00 H new ATOM 0 HG SER A 716 -31.941 -2.282 -3.449 1.00 0.00 H new ATOM 21 N HIS A 717 -28.171 1.290 -4.332 1.00 0.00 N ATOM 22 CA HIS A 717 -27.556 2.268 -5.224 1.00 0.00 C ATOM 23 C HIS A 717 -27.664 3.679 -4.648 1.00 0.00 C ATOM 24 O HIS A 717 -28.545 4.450 -5.030 1.00 0.00 O ATOM 25 CB HIS A 717 -28.209 2.211 -6.608 1.00 0.00 C ATOM 26 CG HIS A 717 -27.563 3.112 -7.616 1.00 0.00 C ATOM 27 ND1 HIS A 717 -26.428 2.766 -8.317 1.00 0.00 N ATOM 28 CD2 HIS A 717 -27.900 4.354 -8.039 1.00 0.00 C ATOM 29 CE1 HIS A 717 -26.095 3.754 -9.127 1.00 0.00 C ATOM 30 NE2 HIS A 717 -26.972 4.729 -8.978 1.00 0.00 N ATOM 0 H HIS A 717 -27.546 0.539 -4.039 1.00 0.00 H new ATOM 0 HA HIS A 717 -26.499 2.019 -5.321 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -28.173 1.185 -6.975 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -29.261 2.480 -6.515 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -28.742 4.940 -7.700 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -25.249 3.763 -9.798 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -26.962 5.617 -9.479 1.00 0.00 H new ATOM 39 N MET A 718 -26.764 4.006 -3.724 1.00 0.00 N ATOM 40 CA MET A 718 -26.753 5.322 -3.095 1.00 0.00 C ATOM 41 C MET A 718 -25.499 5.506 -2.244 1.00 0.00 C ATOM 42 O MET A 718 -24.876 6.567 -2.258 1.00 0.00 O ATOM 43 CB MET A 718 -28.002 5.515 -2.231 1.00 0.00 C ATOM 44 CG MET A 718 -28.134 6.915 -1.653 1.00 0.00 C ATOM 45 SD MET A 718 -29.693 7.164 -0.782 1.00 0.00 S ATOM 46 CE MET A 718 -29.595 8.912 -0.404 1.00 0.00 C ATOM 0 H MET A 718 -26.032 3.376 -3.395 1.00 0.00 H new ATOM 0 HA MET A 718 -26.751 6.072 -3.885 1.00 0.00 H new ATOM 0 HB2 MET A 718 -28.885 5.294 -2.830 1.00 0.00 H new ATOM 0 HB3 MET A 718 -27.983 4.794 -1.414 1.00 0.00 H new ATOM 0 HG2 MET A 718 -27.306 7.101 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 718 -28.052 7.645 -2.458 1.00 0.00 H new ATOM 0 HE1 MET A 718 -30.491 9.218 0.136 1.00 0.00 H new ATOM 0 HE2 MET A 718 -28.716 9.102 0.212 1.00 0.00 H new ATOM 0 HE3 MET A 718 -29.518 9.481 -1.331 1.00 0.00 H new ATOM 56 N SER A 719 -25.135 4.462 -1.504 1.00 0.00 N ATOM 57 CA SER A 719 -23.956 4.505 -0.646 1.00 0.00 C ATOM 58 C SER A 719 -22.709 4.084 -1.417 1.00 0.00 C ATOM 59 O SER A 719 -22.673 3.013 -2.023 1.00 0.00 O ATOM 60 CB SER A 719 -24.151 3.593 0.567 1.00 0.00 C ATOM 61 OG SER A 719 -25.278 3.991 1.330 1.00 0.00 O ATOM 0 H SER A 719 -25.640 3.576 -1.482 1.00 0.00 H new ATOM 0 HA SER A 719 -23.822 5.531 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 719 -24.279 2.563 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 719 -23.258 3.618 1.192 1.00 0.00 H new ATOM 0 HG SER A 719 -25.381 3.391 2.098 1.00 0.00 H new ATOM 67 N LYS A 720 -21.686 4.935 -1.387 1.00 0.00 N ATOM 68 CA LYS A 720 -20.435 4.655 -2.083 1.00 0.00 C ATOM 69 C LYS A 720 -19.689 3.501 -1.419 1.00 0.00 C ATOM 70 O LYS A 720 -18.939 2.777 -2.073 1.00 0.00 O ATOM 71 CB LYS A 720 -19.553 5.903 -2.116 1.00 0.00 C ATOM 72 CG LYS A 720 -19.226 6.457 -0.738 1.00 0.00 C ATOM 73 CD LYS A 720 -18.375 7.714 -0.829 1.00 0.00 C ATOM 74 CE LYS A 720 -19.168 8.887 -1.383 1.00 0.00 C ATOM 75 NZ LYS A 720 -18.320 10.097 -1.563 1.00 0.00 N ATOM 0 H LYS A 720 -21.700 5.824 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 720 -20.674 4.365 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -18.623 5.666 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -20.054 6.676 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -20.151 6.680 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -18.698 5.701 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -17.992 7.967 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -17.511 7.524 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -19.609 8.607 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -19.992 9.119 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -18.899 10.873 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -17.920 10.380 -0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -17.548 9.884 -2.227 1.00 0.00 H new ATOM 89 N GLU A 721 -19.897 3.344 -0.115 1.00 0.00 N ATOM 90 CA GLU A 721 -19.255 2.274 0.644 1.00 0.00 C ATOM 91 C GLU A 721 -19.637 0.909 0.074 1.00 0.00 C ATOM 92 O GLU A 721 -20.804 0.518 0.099 1.00 0.00 O ATOM 93 CB GLU A 721 -19.661 2.363 2.118 1.00 0.00 C ATOM 94 CG GLU A 721 -19.261 1.152 2.946 1.00 0.00 C ATOM 95 CD GLU A 721 -19.770 1.226 4.373 1.00 0.00 C ATOM 96 OE1 GLU A 721 -20.913 0.785 4.618 1.00 0.00 O ATOM 97 OE2 GLU A 721 -19.026 1.722 5.244 1.00 0.00 O ATOM 0 H GLU A 721 -20.506 3.945 0.440 1.00 0.00 H new ATOM 0 HA GLU A 721 -18.174 2.390 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -19.210 3.254 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -20.742 2.491 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -19.648 0.249 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -18.174 1.066 2.956 1.00 0.00 H new ATOM 104 N PRO A 722 -18.643 0.174 -0.447 1.00 0.00 N ATOM 105 CA PRO A 722 -18.853 -1.144 -1.031 1.00 0.00 C ATOM 106 C PRO A 722 -19.114 -2.213 0.026 1.00 0.00 C ATOM 107 O PRO A 722 -20.181 -2.823 0.041 1.00 0.00 O ATOM 108 CB PRO A 722 -17.566 -1.408 -1.799 1.00 0.00 C ATOM 109 CG PRO A 722 -16.551 -0.523 -1.206 1.00 0.00 C ATOM 110 CD PRO A 722 -17.239 0.584 -0.502 1.00 0.00 C ATOM 0 HA PRO A 722 -19.737 -1.177 -1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -17.269 -2.453 -1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -17.695 -1.197 -2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -15.923 -1.081 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -15.895 -0.128 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.830 0.732 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -17.122 1.527 -1.037 1.00 0.00 H new ATOM 118 N ARG A 723 -18.136 -2.423 0.911 1.00 0.00 N ATOM 119 CA ARG A 723 -18.250 -3.405 1.997 1.00 0.00 C ATOM 120 C ARG A 723 -18.209 -4.845 1.486 1.00 0.00 C ATOM 121 O ARG A 723 -17.331 -5.617 1.870 1.00 0.00 O ATOM 122 CB ARG A 723 -19.528 -3.176 2.800 1.00 0.00 C ATOM 123 CG ARG A 723 -19.484 -3.826 4.168 1.00 0.00 C ATOM 124 CD ARG A 723 -18.560 -3.072 5.109 1.00 0.00 C ATOM 125 NE ARG A 723 -18.522 -3.676 6.439 1.00 0.00 N ATOM 126 CZ ARG A 723 -18.034 -3.066 7.515 1.00 0.00 C ATOM 127 NH1 ARG A 723 -17.543 -1.837 7.421 1.00 0.00 N ATOM 128 NH2 ARG A 723 -18.036 -3.686 8.688 1.00 0.00 N ATOM 0 H ARG A 723 -17.248 -1.922 0.897 1.00 0.00 H new ATOM 0 HA ARG A 723 -17.385 -3.259 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -19.692 -2.105 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.378 -3.570 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -20.489 -3.858 4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -19.145 -4.858 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -17.554 -3.053 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -18.891 -2.037 5.190 1.00 0.00 H new ATOM 0 HE ARG A 723 -18.891 -4.620 6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -17.539 -1.357 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -17.170 -1.372 8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -18.412 -4.631 8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -17.662 -3.218 9.513 1.00 0.00 H new ATOM 142 N ASP A 724 -19.173 -5.209 0.647 1.00 0.00 N ATOM 143 CA ASP A 724 -19.237 -6.555 0.087 1.00 0.00 C ATOM 144 C ASP A 724 -17.883 -6.951 -0.500 1.00 0.00 C ATOM 145 O ASP A 724 -17.103 -6.095 -0.915 1.00 0.00 O ATOM 146 CB ASP A 724 -20.355 -6.616 -0.952 1.00 0.00 C ATOM 147 CG ASP A 724 -20.523 -7.956 -1.640 1.00 0.00 C ATOM 148 OD1 ASP A 724 -21.212 -8.830 -1.073 1.00 0.00 O ATOM 149 OD2 ASP A 724 -19.983 -8.126 -2.750 1.00 0.00 O ATOM 0 H ASP A 724 -19.922 -4.589 0.339 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.466 -7.275 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -21.295 -6.354 -0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.166 -5.857 -1.711 1.00 0.00 H new ATOM 154 N PRO A 725 -17.594 -8.259 -0.538 1.00 0.00 N ATOM 155 CA PRO A 725 -16.324 -8.791 -1.014 1.00 0.00 C ATOM 156 C PRO A 725 -16.223 -8.783 -2.534 1.00 0.00 C ATOM 157 O PRO A 725 -15.126 -8.796 -3.091 1.00 0.00 O ATOM 158 CB PRO A 725 -16.299 -10.223 -0.444 1.00 0.00 C ATOM 159 CG PRO A 725 -17.533 -10.348 0.393 1.00 0.00 C ATOM 160 CD PRO A 725 -18.490 -9.332 -0.148 1.00 0.00 C ATOM 0 HA PRO A 725 -15.475 -8.190 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -16.292 -10.963 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.403 -10.391 0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -17.950 -11.353 0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.314 -10.160 1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -19.060 -9.717 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -19.212 -9.010 0.603 1.00 0.00 H new ATOM 168 N ASP A 726 -17.374 -8.767 -3.196 1.00 0.00 N ATOM 169 CA ASP A 726 -17.427 -8.720 -4.650 1.00 0.00 C ATOM 170 C ASP A 726 -17.535 -7.271 -5.079 1.00 0.00 C ATOM 171 O ASP A 726 -16.936 -6.851 -6.070 1.00 0.00 O ATOM 172 CB ASP A 726 -18.615 -9.525 -5.180 1.00 0.00 C ATOM 173 CG ASP A 726 -18.772 -9.404 -6.683 1.00 0.00 C ATOM 174 OD1 ASP A 726 -18.174 -10.224 -7.410 1.00 0.00 O ATOM 175 OD2 ASP A 726 -19.493 -8.488 -7.133 1.00 0.00 O ATOM 0 H ASP A 726 -18.288 -8.786 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.521 -9.164 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -18.487 -10.574 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -19.528 -9.182 -4.693 1.00 0.00 H new ATOM 180 N GLN A 727 -18.315 -6.511 -4.315 1.00 0.00 N ATOM 181 CA GLN A 727 -18.479 -5.096 -4.570 1.00 0.00 C ATOM 182 C GLN A 727 -17.121 -4.438 -4.465 1.00 0.00 C ATOM 183 O GLN A 727 -16.729 -3.656 -5.322 1.00 0.00 O ATOM 184 CB GLN A 727 -19.462 -4.486 -3.570 1.00 0.00 C ATOM 185 CG GLN A 727 -20.905 -4.828 -3.891 1.00 0.00 C ATOM 186 CD GLN A 727 -21.900 -3.997 -3.105 1.00 0.00 C ATOM 187 OE1 GLN A 727 -21.632 -3.587 -1.976 1.00 0.00 O ATOM 188 NE2 GLN A 727 -23.059 -3.744 -3.702 1.00 0.00 N ATOM 0 H GLN A 727 -18.842 -6.859 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.887 -4.936 -5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.222 -4.841 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.342 -3.403 -3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.079 -4.681 -4.957 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -21.077 -5.884 -3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -23.239 -4.104 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -23.769 -3.190 -3.223 1.00 0.00 H new ATOM 197 N LEU A 728 -16.396 -4.807 -3.412 1.00 0.00 N ATOM 198 CA LEU A 728 -15.055 -4.301 -3.178 1.00 0.00 C ATOM 199 C LEU A 728 -14.111 -4.872 -4.206 1.00 0.00 C ATOM 200 O LEU A 728 -13.437 -4.140 -4.908 1.00 0.00 O ATOM 201 CB LEU A 728 -14.579 -4.689 -1.786 1.00 0.00 C ATOM 202 CG LEU A 728 -14.986 -3.732 -0.689 1.00 0.00 C ATOM 203 CD1 LEU A 728 -14.916 -4.402 0.671 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.061 -2.547 -0.748 1.00 0.00 C ATOM 0 H LEU A 728 -16.724 -5.462 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.072 -3.214 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.966 -5.679 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.492 -4.766 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.018 -3.414 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.214 -3.692 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.588 -5.260 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -13.896 -4.736 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -14.330 -1.836 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.034 -2.879 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -14.148 -2.065 -1.722 1.00 0.00 H new ATOM 216 N TYR A 729 -14.097 -6.188 -4.323 1.00 0.00 N ATOM 217 CA TYR A 729 -13.227 -6.843 -5.279 1.00 0.00 C ATOM 218 C TYR A 729 -13.099 -6.017 -6.534 1.00 0.00 C ATOM 219 O TYR A 729 -12.018 -5.531 -6.840 1.00 0.00 O ATOM 220 CB TYR A 729 -13.807 -8.212 -5.617 1.00 0.00 C ATOM 221 CG TYR A 729 -13.585 -8.659 -7.036 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.312 -8.862 -7.469 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.630 -8.893 -7.919 1.00 0.00 C ATOM 224 CE1 TYR A 729 -12.033 -9.285 -8.740 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.378 -9.319 -9.213 1.00 0.00 C ATOM 226 CZ TYR A 729 -13.071 -9.516 -9.620 1.00 0.00 C ATOM 227 OH TYR A 729 -12.807 -9.942 -10.901 1.00 0.00 O ATOM 0 H TYR A 729 -14.676 -6.820 -3.770 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.235 -6.956 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.371 -8.952 -4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.879 -8.196 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.494 -8.683 -6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.649 -8.742 -7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -11.010 -9.437 -9.052 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -15.195 -9.496 -9.897 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.630 -10.284 -11.308 1.00 0.00 H new ATOM 237 N SER A 730 -14.191 -5.795 -7.231 1.00 0.00 N ATOM 238 CA SER A 730 -14.091 -5.034 -8.446 1.00 0.00 C ATOM 239 C SER A 730 -14.142 -3.533 -8.219 1.00 0.00 C ATOM 240 O SER A 730 -13.754 -2.763 -9.099 1.00 0.00 O ATOM 241 CB SER A 730 -15.032 -5.518 -9.517 1.00 0.00 C ATOM 242 OG SER A 730 -15.638 -4.438 -10.209 1.00 0.00 O ATOM 0 H SER A 730 -15.126 -6.120 -6.986 1.00 0.00 H new ATOM 0 HA SER A 730 -13.091 -5.222 -8.836 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.488 -6.144 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.805 -6.142 -9.068 1.00 0.00 H new ATOM 0 HG SER A 730 -16.241 -4.788 -10.898 1.00 0.00 H new ATOM 248 N THR A 731 -14.625 -3.097 -7.056 1.00 0.00 N ATOM 249 CA THR A 731 -14.620 -1.669 -6.770 1.00 0.00 C ATOM 250 C THR A 731 -13.179 -1.292 -6.777 1.00 0.00 C ATOM 251 O THR A 731 -12.706 -0.497 -7.586 1.00 0.00 O ATOM 252 CB THR A 731 -15.217 -1.331 -5.387 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.638 -1.186 -5.491 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.618 -0.048 -4.816 1.00 0.00 C ATOM 0 H THR A 731 -15.011 -3.690 -6.322 1.00 0.00 H new ATOM 0 HA THR A 731 -15.227 -1.134 -7.501 1.00 0.00 H new ATOM 0 HB THR A 731 -14.975 -2.152 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 731 -17.076 -1.986 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 731 -15.062 0.159 -3.842 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.540 -0.167 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.824 0.782 -5.492 1.00 0.00 H new ATOM 262 N LEU A 732 -12.508 -1.946 -5.867 1.00 0.00 N ATOM 263 CA LEU A 732 -11.100 -1.836 -5.683 1.00 0.00 C ATOM 264 C LEU A 732 -10.381 -2.193 -6.976 1.00 0.00 C ATOM 265 O LEU A 732 -9.317 -1.662 -7.267 1.00 0.00 O ATOM 266 CB LEU A 732 -10.683 -2.791 -4.592 1.00 0.00 C ATOM 267 CG LEU A 732 -11.568 -2.871 -3.355 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.398 -4.219 -2.720 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.213 -1.794 -2.365 1.00 0.00 C ATOM 0 H LEU A 732 -12.951 -2.592 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.841 -0.814 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.618 -3.789 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.678 -2.517 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.606 -2.725 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.028 -4.285 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.687 -4.994 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.355 -4.358 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.860 -1.875 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.174 -1.910 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.348 -0.816 -2.827 1.00 0.00 H new ATOM 281 N LYS A 733 -10.965 -3.113 -7.749 1.00 0.00 N ATOM 282 CA LYS A 733 -10.366 -3.510 -9.020 1.00 0.00 C ATOM 283 C LYS A 733 -10.169 -2.272 -9.861 1.00 0.00 C ATOM 284 O LYS A 733 -9.271 -2.202 -10.689 1.00 0.00 O ATOM 285 CB LYS A 733 -11.251 -4.527 -9.752 1.00 0.00 C ATOM 286 CG LYS A 733 -10.689 -5.018 -11.073 1.00 0.00 C ATOM 287 CD LYS A 733 -11.140 -6.437 -11.385 1.00 0.00 C ATOM 288 CE LYS A 733 -12.606 -6.496 -11.752 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.884 -7.534 -12.782 1.00 0.00 N ATOM 0 H LYS A 733 -11.838 -3.589 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.405 -3.991 -8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.412 -5.385 -9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.227 -4.076 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -11.007 -4.351 -11.874 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.600 -4.981 -11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.544 -6.835 -12.206 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.957 -7.075 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -13.195 -6.705 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -12.926 -5.522 -12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.807 -7.347 -13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -12.141 -7.509 -13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -12.898 -8.472 -12.334 1.00 0.00 H new ATOM 303 N SER A 734 -11.004 -1.277 -9.593 1.00 0.00 N ATOM 304 CA SER A 734 -10.945 -0.011 -10.307 1.00 0.00 C ATOM 305 C SER A 734 -9.958 0.910 -9.617 1.00 0.00 C ATOM 306 O SER A 734 -9.088 1.483 -10.273 1.00 0.00 O ATOM 307 CB SER A 734 -12.327 0.642 -10.380 1.00 0.00 C ATOM 308 OG SER A 734 -13.267 -0.221 -10.996 1.00 0.00 O ATOM 0 H SER A 734 -11.734 -1.324 -8.882 1.00 0.00 H new ATOM 0 HA SER A 734 -10.612 -0.197 -11.328 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.666 0.896 -9.376 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.263 1.575 -10.941 1.00 0.00 H new ATOM 0 HG SER A 734 -13.408 -1.009 -10.430 1.00 0.00 H new ATOM 314 N ILE A 735 -10.094 1.070 -8.294 1.00 0.00 N ATOM 315 CA ILE A 735 -9.152 1.894 -7.568 1.00 0.00 C ATOM 316 C ILE A 735 -7.767 1.413 -7.922 1.00 0.00 C ATOM 317 O ILE A 735 -7.006 2.137 -8.541 1.00 0.00 O ATOM 318 CB ILE A 735 -9.362 1.863 -6.044 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.742 2.408 -5.740 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.306 2.723 -5.342 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.816 1.380 -5.772 1.00 0.00 C ATOM 0 H ILE A 735 -10.830 0.648 -7.728 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.302 2.934 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.269 0.839 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.729 2.875 -4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.980 3.190 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.468 2.691 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.312 2.338 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.385 3.753 -5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.774 1.847 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.859 0.929 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.604 0.609 -5.032 1.00 0.00 H new ATOM 333 N LEU A 736 -7.477 0.162 -7.579 1.00 0.00 N ATOM 334 CA LEU A 736 -6.196 -0.438 -7.915 1.00 0.00 C ATOM 335 C LEU A 736 -5.834 -0.070 -9.325 1.00 0.00 C ATOM 336 O LEU A 736 -4.855 0.607 -9.561 1.00 0.00 O ATOM 337 CB LEU A 736 -6.258 -1.963 -7.815 1.00 0.00 C ATOM 338 CG LEU A 736 -5.240 -2.578 -6.885 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.486 -4.048 -6.823 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.834 -2.248 -7.310 1.00 0.00 C ATOM 0 H LEU A 736 -8.112 -0.453 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.451 -0.067 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.255 -2.251 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.121 -2.384 -8.811 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.351 -2.159 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.759 -4.511 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.493 -4.233 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.386 -4.476 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.128 -2.707 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.658 -2.631 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.697 -1.167 -7.305 1.00 0.00 H new ATOM 352 N GLN A 737 -6.682 -0.484 -10.247 1.00 0.00 N ATOM 353 CA GLN A 737 -6.484 -0.213 -11.665 1.00 0.00 C ATOM 354 C GLN A 737 -6.025 1.221 -11.898 1.00 0.00 C ATOM 355 O GLN A 737 -5.218 1.491 -12.784 1.00 0.00 O ATOM 356 CB GLN A 737 -7.790 -0.468 -12.421 1.00 0.00 C ATOM 357 CG GLN A 737 -7.846 -1.814 -13.115 1.00 0.00 C ATOM 358 CD GLN A 737 -8.704 -1.795 -14.365 1.00 0.00 C ATOM 359 OE1 GLN A 737 -8.814 -0.772 -15.040 1.00 0.00 O ATOM 360 NE2 GLN A 737 -9.316 -2.931 -14.681 1.00 0.00 N ATOM 0 H GLN A 737 -7.527 -1.017 -10.039 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.705 -0.880 -12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.623 -0.396 -11.722 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.928 0.318 -13.163 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.835 -2.124 -13.379 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -8.238 -2.559 -12.422 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -9.197 -3.755 -14.092 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -9.905 -2.979 -15.512 1.00 0.00 H new ATOM 369 N GLN A 738 -6.524 2.124 -11.074 1.00 0.00 N ATOM 370 CA GLN A 738 -6.198 3.537 -11.186 1.00 0.00 C ATOM 371 C GLN A 738 -4.875 3.893 -10.494 1.00 0.00 C ATOM 372 O GLN A 738 -3.967 4.436 -11.122 1.00 0.00 O ATOM 373 CB GLN A 738 -7.349 4.350 -10.598 1.00 0.00 C ATOM 374 CG GLN A 738 -8.601 4.285 -11.452 1.00 0.00 C ATOM 375 CD GLN A 738 -9.842 4.778 -10.735 1.00 0.00 C ATOM 376 OE1 GLN A 738 -9.910 4.536 -9.431 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -10.737 5.360 -11.349 1.00 0.00 N flip ATOM 0 H GLN A 738 -7.164 1.902 -10.311 1.00 0.00 H new ATOM 0 HA GLN A 738 -6.064 3.776 -12.241 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.576 3.982 -9.598 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -7.039 5.390 -10.492 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.450 4.880 -12.352 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.760 3.256 -11.773 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -10.644 5.525 -12.351 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -11.571 5.677 -10.855 1.00 0.00 H new ATOM 386 N VAL A 739 -4.779 3.585 -9.203 1.00 0.00 N ATOM 387 CA VAL A 739 -3.595 3.862 -8.413 1.00 0.00 C ATOM 388 C VAL A 739 -2.402 3.154 -9.020 1.00 0.00 C ATOM 389 O VAL A 739 -1.265 3.581 -8.883 1.00 0.00 O ATOM 390 CB VAL A 739 -3.779 3.342 -6.963 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.228 3.066 -6.625 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.934 2.114 -6.746 1.00 0.00 C ATOM 0 H VAL A 739 -5.528 3.134 -8.678 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.435 4.940 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.448 4.131 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.300 2.705 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.807 3.984 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.623 2.310 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -3.069 1.755 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.236 1.336 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.885 2.361 -6.908 1.00 0.00 H new ATOM 402 N LYS A 740 -2.709 2.054 -9.670 1.00 0.00 N ATOM 403 CA LYS A 740 -1.729 1.197 -10.295 1.00 0.00 C ATOM 404 C LYS A 740 -1.366 1.727 -11.659 1.00 0.00 C ATOM 405 O LYS A 740 -0.224 1.610 -12.097 1.00 0.00 O ATOM 406 CB LYS A 740 -2.313 -0.208 -10.352 1.00 0.00 C ATOM 407 CG LYS A 740 -1.792 -1.119 -11.446 1.00 0.00 C ATOM 408 CD LYS A 740 -2.893 -2.060 -11.942 1.00 0.00 C ATOM 409 CE LYS A 740 -3.649 -2.754 -10.799 1.00 0.00 C ATOM 410 NZ LYS A 740 -4.533 -3.838 -11.307 1.00 0.00 N ATOM 0 H LYS A 740 -3.668 1.724 -9.781 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.803 1.172 -9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -2.131 -0.691 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -3.394 -0.123 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -1.418 -0.520 -12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -0.951 -1.702 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -3.601 -1.495 -12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -2.452 -2.817 -12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -2.934 -3.169 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -4.246 -2.020 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -5.151 -4.170 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -5.116 -3.474 -12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -3.951 -4.629 -11.650 1.00 0.00 H new ATOM 424 N SER A 741 -2.345 2.303 -12.335 1.00 0.00 N ATOM 425 CA SER A 741 -2.088 2.887 -13.626 1.00 0.00 C ATOM 426 C SER A 741 -1.448 4.252 -13.423 1.00 0.00 C ATOM 427 O SER A 741 -0.963 4.883 -14.362 1.00 0.00 O ATOM 428 CB SER A 741 -3.376 3.031 -14.425 1.00 0.00 C ATOM 429 OG SER A 741 -3.108 3.238 -15.801 1.00 0.00 O ATOM 0 H SER A 741 -3.310 2.375 -12.012 1.00 0.00 H new ATOM 0 HA SER A 741 -1.418 2.236 -14.187 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.985 2.135 -14.302 1.00 0.00 H new ATOM 0 HB3 SER A 741 -3.956 3.867 -14.036 1.00 0.00 H new ATOM 0 HG SER A 741 -2.366 3.871 -15.898 1.00 0.00 H new ATOM 435 N HIS A 742 -1.466 4.690 -12.165 1.00 0.00 N ATOM 436 CA HIS A 742 -0.912 5.976 -11.770 1.00 0.00 C ATOM 437 C HIS A 742 0.545 6.112 -12.218 1.00 0.00 C ATOM 438 O HIS A 742 1.318 5.159 -12.177 1.00 0.00 O ATOM 439 CB HIS A 742 -1.034 6.144 -10.243 1.00 0.00 C ATOM 440 CG HIS A 742 -0.670 7.508 -9.743 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.174 8.369 -10.408 1.00 0.00 N ATOM 442 CD2 HIS A 742 -1.048 8.157 -8.626 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.301 9.484 -9.719 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.434 9.383 -8.633 1.00 0.00 N ATOM 0 H HIS A 742 -1.867 4.159 -11.392 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.479 6.766 -12.262 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -2.059 5.922 -9.945 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.394 5.408 -9.756 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.714 7.781 -7.863 1.00 0.00 H new ATOM 0 HE1 HIS A 742 0.905 10.335 -9.998 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.531 10.100 -7.914 1.00 0.00 H new ATOM 453 N GLN A 743 0.896 7.310 -12.673 1.00 0.00 N ATOM 454 CA GLN A 743 2.244 7.618 -13.122 1.00 0.00 C ATOM 455 C GLN A 743 3.263 7.452 -11.991 1.00 0.00 C ATOM 456 O GLN A 743 4.466 7.385 -12.230 1.00 0.00 O ATOM 457 CB GLN A 743 2.277 9.047 -13.649 1.00 0.00 C ATOM 458 CG GLN A 743 3.613 9.431 -14.235 1.00 0.00 C ATOM 459 CD GLN A 743 3.785 10.931 -14.379 1.00 0.00 C ATOM 460 OE1 GLN A 743 2.814 11.663 -14.577 1.00 0.00 O ATOM 461 NE2 GLN A 743 5.024 11.397 -14.278 1.00 0.00 N ATOM 0 H GLN A 743 0.249 8.096 -12.740 1.00 0.00 H new ATOM 0 HA GLN A 743 2.515 6.920 -13.914 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.506 9.165 -14.410 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.032 9.733 -12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.408 9.038 -13.601 1.00 0.00 H new ATOM 0 HG3 GLN A 743 3.724 8.962 -15.213 1.00 0.00 H new ATOM 0 HE21 GLN A 743 5.799 10.754 -14.114 1.00 0.00 H new ATOM 0 HE22 GLN A 743 5.201 12.398 -14.365 1.00 0.00 H new ATOM 470 N SER A 744 2.767 7.401 -10.759 1.00 0.00 N ATOM 471 CA SER A 744 3.616 7.235 -9.578 1.00 0.00 C ATOM 472 C SER A 744 3.556 5.810 -9.091 1.00 0.00 C ATOM 473 O SER A 744 4.046 5.473 -8.015 1.00 0.00 O ATOM 474 CB SER A 744 3.155 8.171 -8.458 1.00 0.00 C ATOM 475 OG SER A 744 3.748 9.451 -8.580 1.00 0.00 O ATOM 0 H SER A 744 1.772 7.473 -10.549 1.00 0.00 H new ATOM 0 HA SER A 744 4.641 7.481 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.070 8.267 -8.485 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.413 7.739 -7.491 1.00 0.00 H new ATOM 0 HG SER A 744 4.713 9.352 -8.721 1.00 0.00 H new ATOM 481 N ALA A 745 2.941 4.981 -9.894 1.00 0.00 N ATOM 482 CA ALA A 745 2.758 3.595 -9.553 1.00 0.00 C ATOM 483 C ALA A 745 3.733 2.659 -10.248 1.00 0.00 C ATOM 484 O ALA A 745 3.631 1.454 -10.075 1.00 0.00 O ATOM 485 CB ALA A 745 1.334 3.216 -9.909 1.00 0.00 C ATOM 0 H ALA A 745 2.554 5.247 -10.800 1.00 0.00 H new ATOM 0 HA ALA A 745 2.954 3.483 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.164 2.168 -9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.640 3.839 -9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.173 3.368 -10.976 1.00 0.00 H new ATOM 491 N TRP A 746 4.682 3.179 -11.009 1.00 0.00 N ATOM 492 CA TRP A 746 5.599 2.301 -11.722 1.00 0.00 C ATOM 493 C TRP A 746 6.527 1.496 -10.793 1.00 0.00 C ATOM 494 O TRP A 746 6.890 0.372 -11.140 1.00 0.00 O ATOM 495 CB TRP A 746 6.396 3.069 -12.775 1.00 0.00 C ATOM 496 CG TRP A 746 7.208 4.198 -12.231 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.771 5.452 -11.927 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.604 4.175 -11.936 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.816 6.215 -11.466 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.954 5.450 -11.463 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.589 3.194 -12.030 1.00 0.00 C ATOM 502 CZ2 TRP A 746 10.255 5.770 -11.084 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.881 3.509 -11.653 1.00 0.00 C ATOM 504 CH2 TRP A 746 11.204 4.789 -11.186 1.00 0.00 C ATOM 0 H TRP A 746 4.837 4.177 -11.148 1.00 0.00 H new ATOM 0 HA TRP A 746 4.976 1.566 -12.231 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.060 2.374 -13.289 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.705 3.461 -13.522 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.753 5.796 -12.033 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.755 7.190 -11.174 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.347 2.205 -12.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 10.506 6.756 -10.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.653 2.757 -11.720 1.00 0.00 H new ATOM 0 HH2 TRP A 746 12.223 5.007 -10.901 1.00 0.00 H new ATOM 515 N PRO A 747 6.938 2.019 -9.610 1.00 0.00 N ATOM 516 CA PRO A 747 7.792 1.260 -8.700 1.00 0.00 C ATOM 517 C PRO A 747 6.974 0.223 -7.959 1.00 0.00 C ATOM 518 O PRO A 747 7.513 -0.664 -7.298 1.00 0.00 O ATOM 519 CB PRO A 747 8.337 2.307 -7.714 1.00 0.00 C ATOM 520 CG PRO A 747 7.769 3.619 -8.128 1.00 0.00 C ATOM 521 CD PRO A 747 6.610 3.338 -9.050 1.00 0.00 C ATOM 0 HA PRO A 747 8.587 0.728 -9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 747 8.046 2.064 -6.692 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.426 2.332 -7.738 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.438 4.186 -7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.524 4.222 -8.633 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.662 3.323 -8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.522 4.096 -9.829 1.00 0.00 H new ATOM 529 N PHE A 748 5.657 0.347 -8.088 1.00 0.00 N ATOM 530 CA PHE A 748 4.732 -0.547 -7.413 1.00 0.00 C ATOM 531 C PHE A 748 3.909 -1.361 -8.410 1.00 0.00 C ATOM 532 O PHE A 748 3.307 -2.362 -8.047 1.00 0.00 O ATOM 533 CB PHE A 748 3.802 0.261 -6.500 1.00 0.00 C ATOM 534 CG PHE A 748 4.432 1.478 -5.900 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.748 1.464 -5.530 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.712 2.638 -5.725 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.348 2.575 -4.996 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.313 3.762 -5.187 1.00 0.00 C ATOM 539 CZ PHE A 748 5.627 3.724 -4.826 1.00 0.00 C ATOM 0 H PHE A 748 5.207 1.063 -8.658 1.00 0.00 H new ATOM 0 HA PHE A 748 5.315 -1.246 -6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 748 2.925 0.565 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.450 -0.385 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.326 0.561 -5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.671 2.671 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.389 2.543 -4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.742 4.669 -5.053 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.098 4.601 -4.406 1.00 0.00 H new ATOM 549 N MET A 749 3.896 -0.930 -9.672 1.00 0.00 N ATOM 550 CA MET A 749 3.104 -1.597 -10.713 1.00 0.00 C ATOM 551 C MET A 749 3.254 -3.102 -10.652 1.00 0.00 C ATOM 552 O MET A 749 2.357 -3.845 -11.041 1.00 0.00 O ATOM 553 CB MET A 749 3.486 -1.077 -12.087 1.00 0.00 C ATOM 554 CG MET A 749 2.601 0.066 -12.467 1.00 0.00 C ATOM 555 SD MET A 749 3.201 1.060 -13.827 1.00 0.00 S ATOM 556 CE MET A 749 2.276 2.523 -13.414 1.00 0.00 C ATOM 0 H MET A 749 4.424 -0.122 -10.001 1.00 0.00 H new ATOM 0 HA MET A 749 2.055 -1.364 -10.529 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.528 -0.756 -12.086 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.399 -1.875 -12.824 1.00 0.00 H new ATOM 0 HG2 MET A 749 1.618 -0.325 -12.728 1.00 0.00 H new ATOM 0 HG3 MET A 749 2.468 0.709 -11.597 1.00 0.00 H new ATOM 0 HE1 MET A 749 2.865 3.407 -13.659 1.00 0.00 H new ATOM 0 HE2 MET A 749 1.346 2.538 -13.982 1.00 0.00 H new ATOM 0 HE3 MET A 749 2.050 2.522 -12.348 1.00 0.00 H new ATOM 566 N GLU A 750 4.404 -3.533 -10.168 1.00 0.00 N ATOM 567 CA GLU A 750 4.697 -4.943 -10.014 1.00 0.00 C ATOM 568 C GLU A 750 5.842 -5.139 -9.036 1.00 0.00 C ATOM 569 O GLU A 750 6.802 -4.367 -9.030 1.00 0.00 O ATOM 570 CB GLU A 750 5.013 -5.585 -11.360 1.00 0.00 C ATOM 571 CG GLU A 750 5.982 -6.748 -11.273 1.00 0.00 C ATOM 572 CD GLU A 750 6.119 -7.495 -12.585 1.00 0.00 C ATOM 573 OE1 GLU A 750 6.966 -7.096 -13.411 1.00 0.00 O ATOM 574 OE2 GLU A 750 5.377 -8.480 -12.788 1.00 0.00 O ATOM 0 H GLU A 750 5.159 -2.915 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 750 3.812 -5.436 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 750 4.084 -5.932 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 750 5.429 -4.827 -12.024 1.00 0.00 H new ATOM 0 HG2 GLU A 750 6.960 -6.378 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 750 5.646 -7.439 -10.500 1.00 0.00 H new ATOM 581 N PRO A 751 5.743 -6.176 -8.187 1.00 0.00 N ATOM 582 CA PRO A 751 6.751 -6.486 -7.196 1.00 0.00 C ATOM 583 C PRO A 751 8.142 -6.284 -7.723 1.00 0.00 C ATOM 584 O PRO A 751 8.451 -6.621 -8.867 1.00 0.00 O ATOM 585 CB PRO A 751 6.520 -7.953 -6.853 1.00 0.00 C ATOM 586 CG PRO A 751 5.291 -8.362 -7.587 1.00 0.00 C ATOM 587 CD PRO A 751 4.642 -7.125 -8.131 1.00 0.00 C ATOM 0 HA PRO A 751 6.667 -5.830 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 751 7.373 -8.562 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.394 -8.087 -5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 751 5.541 -9.048 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.608 -8.890 -6.922 1.00 0.00 H new ATOM 0 HD2 PRO A 751 4.207 -7.297 -9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 751 3.838 -6.773 -7.484 1.00 0.00 H new ATOM 595 N VAL A 752 8.974 -5.738 -6.874 1.00 0.00 N ATOM 596 CA VAL A 752 10.341 -5.471 -7.238 1.00 0.00 C ATOM 597 C VAL A 752 11.075 -6.787 -7.448 1.00 0.00 C ATOM 598 O VAL A 752 10.567 -7.860 -7.122 1.00 0.00 O ATOM 599 CB VAL A 752 11.047 -4.576 -6.186 1.00 0.00 C ATOM 600 CG1 VAL A 752 10.062 -4.049 -5.182 1.00 0.00 C ATOM 601 CG2 VAL A 752 12.191 -5.282 -5.483 1.00 0.00 C ATOM 0 H VAL A 752 8.727 -5.469 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 752 10.355 -4.912 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 752 11.479 -3.739 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 752 10.582 -3.425 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 752 9.303 -3.456 -5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 752 9.585 -4.883 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 752 12.646 -4.606 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 752 11.812 -6.164 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 752 12.938 -5.584 -6.217 1.00 0.00 H new ATOM 611 N LYS A 753 12.265 -6.685 -7.992 1.00 0.00 N ATOM 612 CA LYS A 753 13.099 -7.839 -8.295 1.00 0.00 C ATOM 613 C LYS A 753 13.447 -8.642 -7.059 1.00 0.00 C ATOM 614 O LYS A 753 14.187 -9.623 -7.147 1.00 0.00 O ATOM 615 CB LYS A 753 14.396 -7.337 -8.908 1.00 0.00 C ATOM 616 CG LYS A 753 14.465 -7.397 -10.417 1.00 0.00 C ATOM 617 CD LYS A 753 14.915 -8.764 -10.909 1.00 0.00 C ATOM 618 CE LYS A 753 13.755 -9.741 -10.997 1.00 0.00 C ATOM 619 NZ LYS A 753 12.712 -9.281 -11.955 1.00 0.00 N ATOM 0 H LYS A 753 12.691 -5.793 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 753 12.542 -8.486 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 753 14.551 -6.304 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 753 15.221 -7.921 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 753 13.485 -7.165 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 753 15.155 -6.635 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 753 15.380 -8.663 -11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 753 15.674 -9.161 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 753 14.126 -10.718 -11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 753 13.311 -9.867 -10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 12.170 -10.100 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 12.071 -8.616 -11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 13.166 -8.805 -12.761 1.00 0.00 H new ATOM 633 N ARG A 754 12.931 -8.225 -5.911 1.00 0.00 N ATOM 634 CA ARG A 754 13.258 -8.872 -4.661 1.00 0.00 C ATOM 635 C ARG A 754 14.732 -8.626 -4.376 1.00 0.00 C ATOM 636 O ARG A 754 15.237 -8.948 -3.300 1.00 0.00 O ATOM 637 CB ARG A 754 12.980 -10.369 -4.728 1.00 0.00 C ATOM 638 CG ARG A 754 12.067 -10.877 -3.631 1.00 0.00 C ATOM 639 CD ARG A 754 11.638 -12.314 -3.882 1.00 0.00 C ATOM 640 NE ARG A 754 10.874 -12.445 -5.119 1.00 0.00 N ATOM 641 CZ ARG A 754 10.225 -13.551 -5.474 1.00 0.00 C ATOM 642 NH1 ARG A 754 10.245 -14.618 -4.686 1.00 0.00 N ATOM 643 NH2 ARG A 754 9.555 -13.589 -6.618 1.00 0.00 N ATOM 0 H ARG A 754 12.285 -7.441 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 754 12.639 -8.460 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.534 -10.602 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 754 13.927 -10.906 -4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 754 12.579 -10.812 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 754 11.185 -10.239 -3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 754 12.520 -12.953 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 754 11.036 -12.665 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 754 10.835 -11.642 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 754 10.759 -14.592 -3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 754 9.747 -15.464 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 754 9.537 -12.770 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 754 9.058 -14.437 -6.890 1.00 0.00 H new ATOM 657 N THR A 755 15.415 -8.036 -5.367 1.00 0.00 N ATOM 658 CA THR A 755 16.826 -7.739 -5.262 1.00 0.00 C ATOM 659 C THR A 755 17.191 -6.454 -6.003 1.00 0.00 C ATOM 660 O THR A 755 18.269 -5.904 -5.771 1.00 0.00 O ATOM 661 CB THR A 755 17.705 -8.887 -5.781 1.00 0.00 C ATOM 662 OG1 THR A 755 17.704 -8.900 -7.214 1.00 0.00 O ATOM 663 CG2 THR A 755 17.220 -10.233 -5.259 1.00 0.00 C ATOM 0 H THR A 755 14.996 -7.758 -6.254 1.00 0.00 H new ATOM 0 HA THR A 755 17.022 -7.606 -4.198 1.00 0.00 H new ATOM 0 HB THR A 755 18.719 -8.721 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.268 -9.634 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 755 17.862 -11.025 -5.644 1.00 0.00 H new ATOM 0 HG22 THR A 755 17.255 -10.235 -4.170 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.195 -10.404 -5.590 1.00 0.00 H new ATOM 671 N GLU A 756 16.319 -5.964 -6.906 1.00 0.00 N ATOM 672 CA GLU A 756 16.611 -4.705 -7.578 1.00 0.00 C ATOM 673 C GLU A 756 16.763 -3.731 -6.459 1.00 0.00 C ATOM 674 O GLU A 756 17.478 -2.733 -6.522 1.00 0.00 O ATOM 675 CB GLU A 756 15.494 -4.258 -8.506 1.00 0.00 C ATOM 676 CG GLU A 756 14.226 -3.978 -7.770 1.00 0.00 C ATOM 677 CD GLU A 756 13.135 -3.408 -8.656 1.00 0.00 C ATOM 678 OE1 GLU A 756 12.433 -4.200 -9.318 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.986 -2.169 -8.692 1.00 0.00 O ATOM 0 H GLU A 756 15.441 -6.409 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 756 17.492 -4.793 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.806 -3.362 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 756 15.315 -5.030 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 756 13.868 -4.900 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 756 14.430 -3.278 -6.960 1.00 0.00 H new ATOM 686 N ALA A 757 16.026 -4.089 -5.424 1.00 0.00 N ATOM 687 CA ALA A 757 16.027 -3.394 -4.175 1.00 0.00 C ATOM 688 C ALA A 757 17.024 -4.044 -3.264 1.00 0.00 C ATOM 689 O ALA A 757 16.788 -5.113 -2.703 1.00 0.00 O ATOM 690 CB ALA A 757 14.693 -3.419 -3.548 1.00 0.00 C ATOM 0 H ALA A 757 15.398 -4.893 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 757 16.294 -2.352 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.726 -2.882 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 757 13.971 -2.941 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 757 14.394 -4.452 -3.370 1.00 0.00 H new ATOM 696 N PRO A 758 18.162 -3.407 -3.145 1.00 0.00 N ATOM 697 CA PRO A 758 19.253 -3.879 -2.312 1.00 0.00 C ATOM 698 C PRO A 758 18.867 -3.881 -0.851 1.00 0.00 C ATOM 699 O PRO A 758 19.074 -2.904 -0.130 1.00 0.00 O ATOM 700 CB PRO A 758 20.362 -2.864 -2.601 1.00 0.00 C ATOM 701 CG PRO A 758 19.621 -1.644 -3.054 1.00 0.00 C ATOM 702 CD PRO A 758 18.468 -2.153 -3.823 1.00 0.00 C ATOM 0 HA PRO A 758 19.547 -4.907 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.960 -2.662 -1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 758 21.045 -3.226 -3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 758 19.294 -1.044 -2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.254 -1.005 -3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.626 -1.462 -3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.718 -2.310 -4.872 1.00 0.00 H new ATOM 710 N GLY A 759 18.312 -4.999 -0.426 1.00 0.00 N ATOM 711 CA GLY A 759 17.865 -5.130 0.933 1.00 0.00 C ATOM 712 C GLY A 759 16.366 -4.992 1.016 1.00 0.00 C ATOM 713 O GLY A 759 15.813 -4.910 2.101 1.00 0.00 O ATOM 0 H GLY A 759 18.163 -5.824 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 759 18.169 -6.099 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.340 -4.369 1.552 1.00 0.00 H new ATOM 717 N TYR A 760 15.710 -4.977 -0.147 1.00 0.00 N ATOM 718 CA TYR A 760 14.264 -4.852 -0.224 1.00 0.00 C ATOM 719 C TYR A 760 13.569 -5.611 0.892 1.00 0.00 C ATOM 720 O TYR A 760 12.934 -5.016 1.750 1.00 0.00 O ATOM 721 CB TYR A 760 13.814 -5.401 -1.582 1.00 0.00 C ATOM 722 CG TYR A 760 12.344 -5.300 -1.864 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.623 -4.242 -1.396 1.00 0.00 C ATOM 724 CD2 TYR A 760 11.679 -6.270 -2.580 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.279 -4.136 -1.621 1.00 0.00 C ATOM 726 CE2 TYR A 760 10.321 -6.172 -2.822 1.00 0.00 C ATOM 727 CZ TYR A 760 9.627 -5.100 -2.334 1.00 0.00 C ATOM 728 OH TYR A 760 8.275 -4.986 -2.568 1.00 0.00 O ATOM 0 H TYR A 760 16.170 -5.051 -1.055 1.00 0.00 H new ATOM 0 HA TYR A 760 13.993 -3.802 -0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 760 14.354 -4.870 -2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 760 14.107 -6.449 -1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 760 12.126 -3.469 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 760 12.226 -7.121 -2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.732 -3.289 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 760 9.813 -6.936 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 760 7.992 -5.684 -3.195 1.00 0.00 H new ATOM 738 N TYR A 761 13.709 -6.914 0.888 1.00 0.00 N ATOM 739 CA TYR A 761 13.072 -7.750 1.892 1.00 0.00 C ATOM 740 C TYR A 761 13.651 -7.538 3.284 1.00 0.00 C ATOM 741 O TYR A 761 13.042 -7.919 4.284 1.00 0.00 O ATOM 742 CB TYR A 761 13.147 -9.205 1.465 1.00 0.00 C ATOM 743 CG TYR A 761 12.016 -9.540 0.534 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.777 -8.731 -0.562 1.00 0.00 C ATOM 745 CD2 TYR A 761 11.152 -10.598 0.778 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.705 -8.963 -1.401 1.00 0.00 C ATOM 747 CE2 TYR A 761 10.083 -10.850 -0.063 1.00 0.00 C ATOM 748 CZ TYR A 761 9.863 -10.028 -1.151 1.00 0.00 C ATOM 749 OH TYR A 761 8.792 -10.265 -1.982 1.00 0.00 O ATOM 0 H TYR A 761 14.260 -7.426 0.199 1.00 0.00 H new ATOM 0 HA TYR A 761 12.025 -7.456 1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 761 14.100 -9.397 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 761 13.106 -9.850 2.343 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.440 -7.903 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.316 -11.233 1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.527 -8.316 -2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.425 -11.684 0.130 1.00 0.00 H new ATOM 0 HH TYR A 761 8.301 -11.053 -1.667 1.00 0.00 H new ATOM 759 N GLU A 762 14.821 -6.931 3.342 1.00 0.00 N ATOM 760 CA GLU A 762 15.481 -6.658 4.611 1.00 0.00 C ATOM 761 C GLU A 762 14.791 -5.495 5.336 1.00 0.00 C ATOM 762 O GLU A 762 14.573 -5.539 6.547 1.00 0.00 O ATOM 763 CB GLU A 762 16.959 -6.355 4.361 1.00 0.00 C ATOM 764 CG GLU A 762 17.351 -4.929 4.679 1.00 0.00 C ATOM 765 CD GLU A 762 18.855 -4.730 4.702 1.00 0.00 C ATOM 766 OE1 GLU A 762 19.483 -5.073 5.726 1.00 0.00 O ATOM 767 OE2 GLU A 762 19.403 -4.231 3.697 1.00 0.00 O ATOM 0 H GLU A 762 15.339 -6.615 2.522 1.00 0.00 H new ATOM 0 HA GLU A 762 15.408 -7.536 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 762 17.566 -7.032 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 762 17.191 -6.562 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.911 -4.261 3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.936 -4.649 5.647 1.00 0.00 H new ATOM 774 N VAL A 763 14.452 -4.462 4.572 1.00 0.00 N ATOM 775 CA VAL A 763 13.776 -3.281 5.087 1.00 0.00 C ATOM 776 C VAL A 763 12.297 -3.500 5.025 1.00 0.00 C ATOM 777 O VAL A 763 11.568 -3.359 6.008 1.00 0.00 O ATOM 778 CB VAL A 763 14.128 -2.017 4.248 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.795 -2.367 2.958 1.00 0.00 C ATOM 780 CG2 VAL A 763 12.916 -1.216 3.875 1.00 0.00 C ATOM 0 H VAL A 763 14.641 -4.422 3.570 1.00 0.00 H new ATOM 0 HA VAL A 763 14.103 -3.120 6.114 1.00 0.00 H new ATOM 0 HB VAL A 763 14.790 -1.440 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 763 15.022 -1.455 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.719 -2.908 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 763 14.131 -2.995 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.220 -0.347 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.240 -1.833 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.406 -0.885 4.780 1.00 0.00 H new ATOM 790 N ILE A 764 11.881 -3.847 3.841 1.00 0.00 N ATOM 791 CA ILE A 764 10.506 -4.063 3.551 1.00 0.00 C ATOM 792 C ILE A 764 9.999 -5.364 4.131 1.00 0.00 C ATOM 793 O ILE A 764 10.094 -6.418 3.506 1.00 0.00 O ATOM 794 CB ILE A 764 10.291 -4.050 2.060 1.00 0.00 C ATOM 795 CG1 ILE A 764 10.951 -2.802 1.481 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.819 -4.067 1.760 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.121 -1.545 1.588 1.00 0.00 C ATOM 0 H ILE A 764 12.502 -3.988 3.044 1.00 0.00 H new ATOM 0 HA ILE A 764 9.941 -3.255 4.015 1.00 0.00 H new ATOM 0 HB ILE A 764 10.739 -4.934 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 764 11.900 -2.639 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.180 -2.982 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.668 -4.058 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.372 -4.968 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.348 -3.188 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.668 -0.709 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.182 -1.683 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 764 9.913 -1.334 2.637 1.00 0.00 H new ATOM 809 N ARG A 765 9.491 -5.284 5.344 1.00 0.00 N ATOM 810 CA ARG A 765 8.940 -6.446 6.010 1.00 0.00 C ATOM 811 C ARG A 765 7.806 -7.050 5.191 1.00 0.00 C ATOM 812 O ARG A 765 7.685 -8.272 5.096 1.00 0.00 O ATOM 813 CB ARG A 765 8.425 -6.066 7.387 1.00 0.00 C ATOM 814 CG ARG A 765 8.739 -7.081 8.468 1.00 0.00 C ATOM 815 CD ARG A 765 8.253 -8.468 8.100 1.00 0.00 C ATOM 816 NE ARG A 765 9.288 -9.255 7.433 1.00 0.00 N ATOM 817 CZ ARG A 765 9.092 -10.487 6.973 1.00 0.00 C ATOM 818 NH1 ARG A 765 7.906 -11.067 7.102 1.00 0.00 N ATOM 819 NH2 ARG A 765 10.083 -11.141 6.381 1.00 0.00 N ATOM 0 H ARG A 765 9.448 -4.423 5.890 1.00 0.00 H new ATOM 0 HA ARG A 765 9.733 -7.187 6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 765 8.854 -5.105 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.345 -5.930 7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 765 9.815 -7.107 8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 765 8.274 -6.770 9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 765 7.927 -8.988 9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 765 7.384 -8.386 7.447 1.00 0.00 H new ATOM 0 HE ARG A 765 10.211 -8.837 7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 765 7.141 -10.568 7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 765 7.759 -12.012 6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 765 10.996 -10.699 6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 765 9.932 -12.086 6.029 1.00 0.00 H new ATOM 833 N PHE A 766 6.975 -6.193 4.595 1.00 0.00 N ATOM 834 CA PHE A 766 5.842 -6.683 3.810 1.00 0.00 C ATOM 835 C PHE A 766 5.768 -6.091 2.398 1.00 0.00 C ATOM 836 O PHE A 766 4.914 -5.256 2.111 1.00 0.00 O ATOM 837 CB PHE A 766 4.518 -6.407 4.528 1.00 0.00 C ATOM 838 CG PHE A 766 4.613 -6.186 6.009 1.00 0.00 C ATOM 839 CD1 PHE A 766 5.157 -7.148 6.826 1.00 0.00 C ATOM 840 CD2 PHE A 766 4.131 -5.022 6.580 1.00 0.00 C ATOM 841 CE1 PHE A 766 5.225 -6.956 8.194 1.00 0.00 C ATOM 842 CE2 PHE A 766 4.198 -4.819 7.938 1.00 0.00 C ATOM 843 CZ PHE A 766 4.744 -5.785 8.747 1.00 0.00 C ATOM 0 H PHE A 766 7.062 -5.178 4.639 1.00 0.00 H new ATOM 0 HA PHE A 766 6.007 -7.756 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 766 4.058 -5.528 4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.846 -7.246 4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.535 -8.063 6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 766 3.695 -4.261 5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.653 -7.719 8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 766 3.822 -3.902 8.368 1.00 0.00 H new ATOM 0 HZ PHE A 766 4.797 -5.629 9.814 1.00 0.00 H new ATOM 853 N PRO A 767 6.670 -6.515 1.505 1.00 0.00 N ATOM 854 CA PRO A 767 6.687 -6.079 0.097 1.00 0.00 C ATOM 855 C PRO A 767 5.331 -6.184 -0.589 1.00 0.00 C ATOM 856 O PRO A 767 4.813 -7.280 -0.798 1.00 0.00 O ATOM 857 CB PRO A 767 7.667 -7.075 -0.510 1.00 0.00 C ATOM 858 CG PRO A 767 8.659 -7.210 0.572 1.00 0.00 C ATOM 859 CD PRO A 767 7.817 -7.393 1.799 1.00 0.00 C ATOM 0 HA PRO A 767 6.954 -5.028 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.190 -8.025 -0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.114 -6.701 -1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.319 -8.062 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.292 -6.326 0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.514 -8.431 1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.342 -7.091 2.705 1.00 0.00 H new ATOM 867 N MET A 768 4.762 -5.035 -0.937 1.00 0.00 N ATOM 868 CA MET A 768 3.481 -5.005 -1.627 1.00 0.00 C ATOM 869 C MET A 768 3.584 -4.157 -2.871 1.00 0.00 C ATOM 870 O MET A 768 4.380 -3.220 -2.942 1.00 0.00 O ATOM 871 CB MET A 768 2.373 -4.454 -0.728 1.00 0.00 C ATOM 872 CG MET A 768 0.959 -4.453 -1.325 1.00 0.00 C ATOM 873 SD MET A 768 0.577 -5.818 -2.430 1.00 0.00 S ATOM 874 CE MET A 768 0.321 -7.076 -1.219 1.00 0.00 C ATOM 0 H MET A 768 5.167 -4.117 -0.753 1.00 0.00 H new ATOM 0 HA MET A 768 3.226 -6.030 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 768 2.356 -5.037 0.193 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.631 -3.431 -0.453 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.239 -4.460 -0.506 1.00 0.00 H new ATOM 0 HG3 MET A 768 0.815 -3.519 -1.868 1.00 0.00 H new ATOM 0 HE1 MET A 768 1.021 -7.894 -1.390 1.00 0.00 H new ATOM 0 HE2 MET A 768 0.484 -6.662 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 768 -0.700 -7.450 -1.294 1.00 0.00 H new ATOM 884 N ASP A 769 2.771 -4.493 -3.844 1.00 0.00 N ATOM 885 CA ASP A 769 2.750 -3.783 -5.092 1.00 0.00 C ATOM 886 C ASP A 769 1.343 -3.761 -5.657 1.00 0.00 C ATOM 887 O ASP A 769 0.444 -4.387 -5.114 1.00 0.00 O ATOM 888 CB ASP A 769 3.704 -4.449 -6.073 1.00 0.00 C ATOM 889 CG ASP A 769 5.152 -4.081 -5.817 1.00 0.00 C ATOM 890 OD1 ASP A 769 5.714 -4.552 -4.808 1.00 0.00 O ATOM 891 OD2 ASP A 769 5.724 -3.322 -6.627 1.00 0.00 O ATOM 0 H ASP A 769 2.108 -5.266 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 769 3.071 -2.755 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.591 -5.531 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 769 3.434 -4.162 -7.089 1.00 0.00 H new ATOM 896 N LEU A 770 1.160 -3.004 -6.720 1.00 0.00 N ATOM 897 CA LEU A 770 -0.132 -2.906 -7.380 1.00 0.00 C ATOM 898 C LEU A 770 -0.438 -4.172 -8.153 1.00 0.00 C ATOM 899 O LEU A 770 -1.596 -4.481 -8.417 1.00 0.00 O ATOM 900 CB LEU A 770 -0.161 -1.679 -8.271 1.00 0.00 C ATOM 901 CG LEU A 770 0.580 -0.516 -7.681 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.282 0.224 -8.762 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.374 0.391 -6.961 1.00 0.00 C ATOM 0 H LEU A 770 1.895 -2.442 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.912 -2.796 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.274 -1.928 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.197 -1.391 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 770 1.315 -0.882 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.821 1.069 -8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 770 1.988 -0.441 -9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.553 0.588 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.174 1.232 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.122 0.762 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.868 -0.161 -6.161 1.00 0.00 H new ATOM 915 N LYS A 771 0.607 -4.888 -8.540 1.00 0.00 N ATOM 916 CA LYS A 771 0.436 -6.150 -9.207 1.00 0.00 C ATOM 917 C LYS A 771 0.029 -7.152 -8.162 1.00 0.00 C ATOM 918 O LYS A 771 -0.912 -7.916 -8.354 1.00 0.00 O ATOM 919 CB LYS A 771 1.716 -6.574 -9.897 1.00 0.00 C ATOM 920 CG LYS A 771 1.580 -7.837 -10.711 1.00 0.00 C ATOM 921 CD LYS A 771 1.529 -9.050 -9.826 1.00 0.00 C ATOM 922 CE LYS A 771 0.908 -10.222 -10.553 1.00 0.00 C ATOM 923 NZ LYS A 771 1.691 -10.609 -11.759 1.00 0.00 N ATOM 0 H LYS A 771 1.578 -4.609 -8.399 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.327 -6.075 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.051 -5.767 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.492 -6.719 -9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 771 0.675 -7.787 -11.317 1.00 0.00 H new ATOM 0 HG3 LYS A 771 2.420 -7.921 -11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 771 2.536 -9.311 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 771 0.952 -8.826 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.840 -11.074 -9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -0.110 -9.967 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 1.311 -11.495 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 1.621 -9.857 -12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 2.688 -10.746 -11.496 1.00 0.00 H new ATOM 937 N THR A 772 0.758 -7.156 -7.050 1.00 0.00 N ATOM 938 CA THR A 772 0.437 -8.053 -5.966 1.00 0.00 C ATOM 939 C THR A 772 -0.950 -7.689 -5.444 1.00 0.00 C ATOM 940 O THR A 772 -1.757 -8.557 -5.115 1.00 0.00 O ATOM 941 CB THR A 772 1.464 -7.991 -4.828 1.00 0.00 C ATOM 942 OG1 THR A 772 2.769 -8.314 -5.322 1.00 0.00 O ATOM 943 CG2 THR A 772 1.079 -8.957 -3.723 1.00 0.00 C ATOM 0 H THR A 772 1.564 -6.553 -6.885 1.00 0.00 H new ATOM 0 HA THR A 772 0.456 -9.075 -6.344 1.00 0.00 H new ATOM 0 HB THR A 772 1.477 -6.978 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 772 3.417 -8.270 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 772 1.815 -8.904 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.097 -8.690 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 772 1.048 -9.971 -4.121 1.00 0.00 H new ATOM 951 N MET A 773 -1.198 -6.381 -5.347 1.00 0.00 N ATOM 952 CA MET A 773 -2.507 -5.868 -4.956 1.00 0.00 C ATOM 953 C MET A 773 -3.527 -6.489 -5.903 1.00 0.00 C ATOM 954 O MET A 773 -4.397 -7.245 -5.493 1.00 0.00 O ATOM 955 CB MET A 773 -2.538 -4.340 -5.072 1.00 0.00 C ATOM 956 CG MET A 773 -2.192 -3.619 -3.783 1.00 0.00 C ATOM 957 SD MET A 773 -3.372 -3.953 -2.483 1.00 0.00 S ATOM 958 CE MET A 773 -4.821 -3.180 -3.171 1.00 0.00 C ATOM 0 H MET A 773 -0.504 -5.657 -5.535 1.00 0.00 H new ATOM 0 HA MET A 773 -2.730 -6.123 -3.920 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.839 -4.030 -5.849 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.532 -4.030 -5.395 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.198 -3.922 -3.455 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.153 -2.546 -3.969 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.105 -2.326 -2.556 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.606 -2.842 -4.185 1.00 0.00 H new ATOM 0 HE3 MET A 773 -5.640 -3.898 -3.194 1.00 0.00 H new ATOM 968 N SER A 774 -3.368 -6.194 -7.191 1.00 0.00 N ATOM 969 CA SER A 774 -4.250 -6.731 -8.225 1.00 0.00 C ATOM 970 C SER A 774 -4.280 -8.248 -8.200 1.00 0.00 C ATOM 971 O SER A 774 -5.245 -8.862 -8.640 1.00 0.00 O ATOM 972 CB SER A 774 -3.809 -6.252 -9.587 1.00 0.00 C ATOM 973 OG SER A 774 -2.651 -6.937 -10.031 1.00 0.00 O ATOM 0 H SER A 774 -2.632 -5.583 -7.545 1.00 0.00 H new ATOM 0 HA SER A 774 -5.257 -6.369 -8.020 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.617 -6.399 -10.304 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.607 -5.182 -9.549 1.00 0.00 H new ATOM 0 HG SER A 774 -2.141 -7.254 -9.256 1.00 0.00 H new ATOM 979 N GLU A 775 -3.203 -8.846 -7.718 1.00 0.00 N ATOM 980 CA GLU A 775 -3.127 -10.290 -7.602 1.00 0.00 C ATOM 981 C GLU A 775 -4.228 -10.741 -6.675 1.00 0.00 C ATOM 982 O GLU A 775 -5.068 -11.573 -7.022 1.00 0.00 O ATOM 983 CB GLU A 775 -1.769 -10.683 -7.036 1.00 0.00 C ATOM 984 CG GLU A 775 -0.970 -11.594 -7.935 1.00 0.00 C ATOM 985 CD GLU A 775 0.028 -12.443 -7.171 1.00 0.00 C ATOM 986 OE1 GLU A 775 1.147 -11.954 -6.911 1.00 0.00 O ATOM 987 OE2 GLU A 775 -0.311 -13.597 -6.833 1.00 0.00 O ATOM 0 H GLU A 775 -2.369 -8.352 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.245 -10.762 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.191 -9.779 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.916 -11.176 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.651 -12.246 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.439 -10.994 -8.674 1.00 0.00 H new ATOM 994 N ARG A 776 -4.227 -10.129 -5.503 1.00 0.00 N ATOM 995 CA ARG A 776 -5.217 -10.399 -4.491 1.00 0.00 C ATOM 996 C ARG A 776 -6.585 -10.098 -5.063 1.00 0.00 C ATOM 997 O ARG A 776 -7.510 -10.903 -5.002 1.00 0.00 O ATOM 998 CB ARG A 776 -4.930 -9.525 -3.295 1.00 0.00 C ATOM 999 CG ARG A 776 -3.746 -10.013 -2.475 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.887 -8.869 -1.963 1.00 0.00 C ATOM 1001 NE ARG A 776 -2.363 -9.139 -0.626 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.248 -9.826 -0.393 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -0.538 -10.307 -1.404 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -0.845 -10.033 0.854 1.00 0.00 N ATOM 0 H ARG A 776 -3.535 -9.430 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.188 -11.443 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.736 -8.507 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.814 -9.486 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.109 -10.598 -1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.135 -10.679 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.058 -8.701 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.476 -7.952 -1.944 1.00 0.00 H new ATOM 0 HE ARG A 776 -2.882 -8.780 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -0.846 -10.151 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 776 0.317 -10.833 -1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -1.390 -9.665 1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 776 0.010 -10.560 1.033 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.660 -8.924 -5.646 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.854 -8.415 -6.289 1.00 0.00 C ATOM 1020 C LEU A 777 -8.450 -9.448 -7.193 1.00 0.00 C ATOM 1021 O LEU A 777 -9.630 -9.765 -7.108 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.455 -7.180 -7.090 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.564 -6.279 -7.615 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.848 -7.005 -7.885 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.802 -5.170 -6.625 1.00 0.00 C ATOM 0 H LEU A 777 -5.872 -8.278 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.605 -8.162 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.800 -6.573 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.863 -7.512 -7.943 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.231 -5.883 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.593 -6.301 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.677 -7.780 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.208 -7.462 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.595 -4.519 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.097 -5.596 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.887 -4.592 -6.499 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.622 -9.969 -8.057 1.00 0.00 N ATOM 1038 CA LYS A 778 -8.065 -10.949 -8.994 1.00 0.00 C ATOM 1039 C LYS A 778 -8.778 -12.080 -8.285 1.00 0.00 C ATOM 1040 O LYS A 778 -9.873 -12.486 -8.672 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.895 -11.515 -9.751 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.904 -11.130 -11.202 1.00 0.00 C ATOM 1043 CD LYS A 778 -6.244 -9.780 -11.431 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.729 -9.901 -11.492 1.00 0.00 C ATOM 1045 NZ LYS A 778 -4.274 -10.543 -12.756 1.00 0.00 N ATOM 0 H LYS A 778 -6.634 -9.726 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.752 -10.463 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.969 -11.168 -9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.905 -12.602 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.385 -11.892 -11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.932 -11.098 -11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.613 -9.347 -12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.523 -9.097 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -4.282 -8.911 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -4.377 -10.484 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -3.257 -10.368 -12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.445 -11.568 -12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.801 -10.143 -13.558 1.00 0.00 H new ATOM 1059 N ASN A 779 -8.130 -12.595 -7.247 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.681 -13.682 -6.464 1.00 0.00 C ATOM 1061 C ASN A 779 -9.866 -13.210 -5.637 1.00 0.00 C ATOM 1062 O ASN A 779 -10.468 -13.993 -4.902 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.633 -14.211 -5.502 1.00 0.00 C ATOM 1064 CG ASN A 779 -6.211 -14.023 -5.963 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -5.475 -13.189 -5.230 1.00 0.00 O flip ATOM 1066 ND2 ASN A 779 -5.773 -14.619 -6.948 1.00 0.00 N flip ATOM 0 H ASN A 779 -7.216 -12.271 -6.930 1.00 0.00 H new ATOM 0 HA ASN A 779 -8.999 -14.459 -7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.758 -13.715 -4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -7.811 -15.274 -5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -6.379 -15.247 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -4.804 -14.484 -7.236 1.00 0.00 H new ATOM 1073 N ARG A 780 -10.170 -11.922 -5.746 1.00 0.00 N ATOM 1074 CA ARG A 780 -11.254 -11.312 -4.989 1.00 0.00 C ATOM 1075 C ARG A 780 -10.847 -11.268 -3.530 1.00 0.00 C ATOM 1076 O ARG A 780 -11.681 -11.110 -2.637 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.559 -12.093 -5.114 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.244 -11.970 -6.453 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.499 -12.737 -7.520 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.295 -13.828 -8.076 1.00 0.00 N ATOM 1081 CZ ARG A 780 -13.192 -14.251 -9.332 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -12.332 -13.675 -10.161 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -13.947 -15.253 -9.760 1.00 0.00 N ATOM 0 H ARG A 780 -9.674 -11.275 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.429 -10.313 -5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.356 -13.146 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -13.245 -11.753 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.265 -12.345 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.310 -10.919 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.212 -12.055 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.578 -13.140 -7.099 1.00 0.00 H new ATOM 0 HE ARG A 780 -13.968 -14.292 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -11.747 -12.905 -9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -12.255 -14.002 -11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.608 -15.701 -9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -13.867 -15.576 -10.724 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.546 -11.415 -3.308 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.985 -11.439 -1.977 1.00 0.00 C ATOM 1099 C TYR A 781 -9.486 -10.268 -1.149 1.00 0.00 C ATOM 1100 O TYR A 781 -9.752 -10.423 0.040 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.459 -11.429 -2.082 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.721 -11.087 -0.817 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.555 -9.771 -0.461 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -6.166 -12.066 -0.005 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.860 -9.412 0.662 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.467 -11.726 1.137 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.313 -10.394 1.466 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.609 -10.045 2.596 1.00 0.00 O ATOM 0 H TYR A 781 -8.856 -11.520 -4.052 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.305 -12.348 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -7.130 -12.412 -2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.171 -10.715 -2.853 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -6.984 -9.000 -1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -6.282 -13.107 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.740 -8.370 0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -5.045 -12.495 1.767 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.293 -10.855 3.048 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.627 -9.100 -1.778 1.00 0.00 N ATOM 1119 CA TYR A 782 -10.085 -7.918 -1.067 1.00 0.00 C ATOM 1120 C TYR A 782 -11.533 -8.020 -0.668 1.00 0.00 C ATOM 1121 O TYR A 782 -12.416 -7.436 -1.297 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.841 -6.665 -1.891 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.426 -6.553 -2.275 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.511 -6.157 -1.356 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -7.995 -6.889 -3.528 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.195 -6.095 -1.657 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.665 -6.809 -3.847 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.772 -6.414 -2.898 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.447 -6.365 -3.185 1.00 0.00 O ATOM 0 H TYR A 782 -9.431 -8.953 -2.768 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.502 -7.850 -0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.463 -6.687 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.137 -5.786 -1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.840 -5.886 -0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.707 -7.219 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.482 -5.790 -0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.328 -7.057 -4.843 1.00 0.00 H new ATOM 0 HH TYR A 782 -4.036 -5.616 -2.705 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.762 -8.774 0.388 1.00 0.00 N ATOM 1140 CA VAL A 783 -13.085 -8.926 0.928 1.00 0.00 C ATOM 1141 C VAL A 783 -13.330 -7.783 1.872 1.00 0.00 C ATOM 1142 O VAL A 783 -14.277 -7.770 2.659 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.238 -10.255 1.662 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -13.190 -11.378 0.665 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -12.155 -10.396 2.700 1.00 0.00 C ATOM 0 H VAL A 783 -11.039 -9.292 0.888 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.812 -8.921 0.116 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.198 -10.289 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -13.299 -12.330 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -14.001 -11.262 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -12.235 -11.358 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.271 -11.347 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.180 -10.364 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.230 -9.579 3.418 1.00 0.00 H new ATOM 1155 N SER A 784 -12.435 -6.818 1.763 1.00 0.00 N ATOM 1156 CA SER A 784 -12.453 -5.644 2.587 1.00 0.00 C ATOM 1157 C SER A 784 -11.515 -4.596 2.001 1.00 0.00 C ATOM 1158 O SER A 784 -10.346 -4.891 1.755 1.00 0.00 O ATOM 1159 CB SER A 784 -12.002 -6.039 3.976 1.00 0.00 C ATOM 1160 OG SER A 784 -13.105 -6.358 4.807 1.00 0.00 O ATOM 0 H SER A 784 -11.670 -6.837 1.089 1.00 0.00 H new ATOM 0 HA SER A 784 -13.456 -5.220 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.332 -6.897 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.433 -5.223 4.421 1.00 0.00 H new ATOM 0 HG SER A 784 -13.759 -6.881 4.297 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.014 -3.380 1.750 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.152 -2.334 1.200 1.00 0.00 C ATOM 1168 C LYS A 785 -9.949 -2.156 2.079 1.00 0.00 C ATOM 1169 O LYS A 785 -9.017 -1.494 1.686 1.00 0.00 O ATOM 1170 CB LYS A 785 -11.841 -0.979 1.083 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.504 -0.524 2.360 1.00 0.00 C ATOM 1172 CD LYS A 785 -13.967 -0.862 2.310 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.825 0.376 2.298 1.00 0.00 C ATOM 1174 NZ LYS A 785 -16.254 0.067 2.561 1.00 0.00 N ATOM 0 H LYS A 785 -12.982 -3.103 1.914 1.00 0.00 H new ATOM 0 HA LYS A 785 -10.881 -2.665 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -11.107 -0.233 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -12.590 -1.029 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -12.037 -1.008 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -12.372 0.550 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -14.173 -1.456 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.228 -1.477 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -14.461 1.076 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.733 0.871 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -16.849 0.834 2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -16.508 -0.826 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -16.407 -0.024 3.586 1.00 0.00 H new ATOM 1188 N LYS A 786 -9.994 -2.713 3.287 1.00 0.00 N ATOM 1189 CA LYS A 786 -8.874 -2.589 4.200 1.00 0.00 C ATOM 1190 C LYS A 786 -7.734 -3.483 3.751 1.00 0.00 C ATOM 1191 O LYS A 786 -6.572 -3.166 3.959 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.290 -2.910 5.637 1.00 0.00 C ATOM 1193 CG LYS A 786 -10.443 -2.058 6.143 1.00 0.00 C ATOM 1194 CD LYS A 786 -10.796 -2.401 7.582 1.00 0.00 C ATOM 1195 CE LYS A 786 -11.955 -1.559 8.089 1.00 0.00 C ATOM 1196 NZ LYS A 786 -11.657 -0.101 8.020 1.00 0.00 N ATOM 0 H LYS A 786 -10.785 -3.247 3.648 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.532 -1.554 4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -9.572 -3.961 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.431 -2.772 6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -10.176 -1.003 6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -11.315 -2.209 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -11.055 -3.457 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -9.925 -2.244 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -12.846 -1.775 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -12.180 -1.835 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -12.395 0.429 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -10.733 0.086 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -11.635 0.202 7.025 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.071 -4.625 3.179 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.065 -5.507 2.626 1.00 0.00 C ATOM 1212 C LEU A 787 -6.388 -4.743 1.546 1.00 0.00 C ATOM 1213 O LEU A 787 -5.168 -4.698 1.398 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.739 -6.700 1.982 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.083 -7.801 2.927 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.848 -8.878 2.197 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.814 -8.302 3.573 1.00 0.00 C ATOM 0 H LEU A 787 -9.030 -4.960 3.087 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.376 -5.844 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.651 -6.364 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.084 -7.096 1.206 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.736 -7.446 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.098 -9.681 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.765 -8.457 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.235 -9.275 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.053 -9.108 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.137 -8.674 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.335 -7.487 4.115 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.271 -4.147 0.805 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.967 -3.335 -0.310 1.00 0.00 C ATOM 1231 C PHE A 788 -6.267 -2.071 0.092 1.00 0.00 C ATOM 1232 O PHE A 788 -5.371 -1.588 -0.597 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.257 -3.037 -0.980 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.972 -2.606 -2.329 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.679 -1.324 -2.482 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.946 -3.451 -3.406 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.359 -0.813 -3.678 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.625 -2.953 -4.643 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.331 -1.625 -4.777 1.00 0.00 C ATOM 0 H PHE A 788 -8.273 -4.225 0.980 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.283 -3.854 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.894 -3.921 -0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.797 -2.261 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.699 -0.673 -1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.176 -4.499 -3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.124 0.237 -3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.605 -3.605 -5.504 1.00 0.00 H new ATOM 0 HZ PHE A 788 -7.078 -1.220 -5.746 1.00 0.00 H new ATOM 1249 N MET A 789 -6.673 -1.552 1.213 1.00 0.00 N ATOM 1250 CA MET A 789 -6.102 -0.349 1.718 1.00 0.00 C ATOM 1251 C MET A 789 -4.721 -0.661 2.218 1.00 0.00 C ATOM 1252 O MET A 789 -3.745 -0.218 1.661 1.00 0.00 O ATOM 1253 CB MET A 789 -6.963 0.196 2.825 1.00 0.00 C ATOM 1254 CG MET A 789 -8.119 1.029 2.314 1.00 0.00 C ATOM 1255 SD MET A 789 -8.290 2.541 3.244 1.00 0.00 S ATOM 1256 CE MET A 789 -7.712 3.690 2.017 1.00 0.00 C ATOM 0 H MET A 789 -7.407 -1.952 1.798 1.00 0.00 H new ATOM 0 HA MET A 789 -6.043 0.407 0.935 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.352 -0.632 3.418 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.350 0.804 3.490 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.964 1.263 1.261 1.00 0.00 H new ATOM 0 HG3 MET A 789 -9.042 0.453 2.380 1.00 0.00 H new ATOM 0 HE1 MET A 789 -7.123 4.471 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 789 -7.093 3.165 1.290 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.565 4.140 1.509 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.678 -1.500 3.234 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.438 -1.934 3.856 1.00 0.00 C ATOM 1268 C ALA A 790 -2.370 -2.320 2.850 1.00 0.00 C ATOM 1269 O ALA A 790 -1.243 -1.855 2.941 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.709 -3.141 4.727 1.00 0.00 C ATOM 0 H ALA A 790 -5.512 -1.906 3.658 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.069 -1.087 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -2.780 -3.468 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.431 -2.877 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.111 -3.948 4.115 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.727 -3.189 1.908 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.777 -3.673 0.915 1.00 0.00 C ATOM 1278 C ASP A 791 -1.366 -2.567 -0.054 1.00 0.00 C ATOM 1279 O ASP A 791 -0.185 -2.302 -0.224 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.340 -4.885 0.181 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.363 -6.128 1.049 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.281 -6.547 1.514 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.460 -6.680 1.268 1.00 0.00 O ATOM 0 H ASP A 791 -3.668 -3.571 1.813 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.873 -3.987 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.352 -4.663 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.741 -5.078 -0.709 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.307 -1.920 -0.715 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.919 -0.833 -1.599 1.00 0.00 C ATOM 1290 C LEU A 792 -1.133 0.161 -0.780 1.00 0.00 C ATOM 1291 O LEU A 792 -0.159 0.757 -1.240 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.134 -0.130 -2.205 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.212 -0.130 -3.705 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.316 0.799 -4.142 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.882 0.271 -4.289 1.00 0.00 C ATOM 0 H LEU A 792 -3.307 -2.115 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.329 -1.237 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -4.035 -0.602 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -3.141 0.904 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.442 -1.131 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.378 0.804 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.264 0.458 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.105 1.807 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.947 0.269 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.619 1.271 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.116 -0.436 -3.970 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.560 0.291 0.464 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.928 1.186 1.403 1.00 0.00 C ATOM 1309 C GLN A 793 0.397 0.590 1.800 1.00 0.00 C ATOM 1310 O GLN A 793 1.311 1.275 2.244 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.815 1.395 2.624 1.00 0.00 C ATOM 1312 CG GLN A 793 -2.973 2.330 2.353 1.00 0.00 C ATOM 1313 CD GLN A 793 -3.922 2.454 3.533 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -5.196 2.731 3.257 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -3.515 2.306 4.685 1.00 0.00 N flip ATOM 0 H GLN A 793 -2.354 -0.223 0.846 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.772 2.162 0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.202 0.431 2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.214 1.795 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.585 3.317 2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.526 1.973 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -2.532 2.095 4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -4.161 2.395 5.469 1.00 0.00 H new ATOM 1324 N ARG A 794 0.459 -0.716 1.625 1.00 0.00 N ATOM 1325 CA ARG A 794 1.638 -1.492 1.908 1.00 0.00 C ATOM 1326 C ARG A 794 2.682 -1.235 0.822 1.00 0.00 C ATOM 1327 O ARG A 794 3.875 -1.391 1.059 1.00 0.00 O ATOM 1328 CB ARG A 794 1.268 -2.970 1.983 1.00 0.00 C ATOM 1329 CG ARG A 794 2.417 -3.824 2.441 1.00 0.00 C ATOM 1330 CD ARG A 794 2.769 -3.589 3.888 1.00 0.00 C ATOM 1331 NE ARG A 794 4.138 -3.095 4.038 1.00 0.00 N ATOM 1332 CZ ARG A 794 4.535 -2.295 5.024 1.00 0.00 C ATOM 1333 NH1 ARG A 794 3.668 -1.890 5.944 1.00 0.00 N ATOM 1334 NH2 ARG A 794 5.798 -1.898 5.088 1.00 0.00 N ATOM 0 H ARG A 794 -0.323 -1.270 1.277 1.00 0.00 H new ATOM 0 HA ARG A 794 2.062 -1.199 2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.429 -3.098 2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 794 0.935 -3.309 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 794 2.165 -4.875 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.289 -3.618 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 794 2.073 -2.870 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 794 2.654 -4.518 4.446 1.00 0.00 H new ATOM 0 HE ARG A 794 4.830 -3.381 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 794 2.695 -2.192 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 794 3.975 -1.277 6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 794 6.466 -2.206 4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 794 6.102 -1.285 5.844 1.00 0.00 H new ATOM 1348 N VAL A 795 2.226 -0.824 -0.372 1.00 0.00 N ATOM 1349 CA VAL A 795 3.149 -0.520 -1.467 1.00 0.00 C ATOM 1350 C VAL A 795 3.703 0.890 -1.294 1.00 0.00 C ATOM 1351 O VAL A 795 4.899 1.126 -1.465 1.00 0.00 O ATOM 1352 CB VAL A 795 2.514 -0.676 -2.877 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.301 -1.563 -2.815 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.173 0.661 -3.508 1.00 0.00 C ATOM 0 H VAL A 795 1.239 -0.697 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 795 3.953 -1.254 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 795 3.261 -1.146 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.870 -1.660 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.589 -2.548 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.564 -1.125 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.732 0.497 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.461 1.191 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.080 1.256 -3.611 1.00 0.00 H new ATOM 1364 N PHE A 796 2.816 1.824 -0.954 1.00 0.00 N ATOM 1365 CA PHE A 796 3.225 3.210 -0.725 1.00 0.00 C ATOM 1366 C PHE A 796 4.118 3.271 0.501 1.00 0.00 C ATOM 1367 O PHE A 796 5.223 3.799 0.453 1.00 0.00 O ATOM 1368 CB PHE A 796 2.031 4.131 -0.487 1.00 0.00 C ATOM 1369 CG PHE A 796 0.792 3.758 -1.235 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.822 3.467 -2.579 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.408 3.684 -0.580 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.316 3.108 -3.251 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.548 3.324 -1.252 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.494 3.036 -2.593 1.00 0.00 C ATOM 0 H PHE A 796 1.818 1.650 -0.832 1.00 0.00 H new ATOM 0 HA PHE A 796 3.750 3.547 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.805 4.142 0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.313 5.147 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.759 3.523 -3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.457 3.911 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.272 2.883 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.489 3.267 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.392 2.752 -3.122 1.00 0.00 H new ATOM 1384 N THR A 797 3.617 2.709 1.601 1.00 0.00 N ATOM 1385 CA THR A 797 4.344 2.695 2.863 1.00 0.00 C ATOM 1386 C THR A 797 5.688 1.999 2.721 1.00 0.00 C ATOM 1387 O THR A 797 6.673 2.456 3.283 1.00 0.00 O ATOM 1388 CB THR A 797 3.532 2.022 3.989 1.00 0.00 C ATOM 1389 OG1 THR A 797 4.010 2.461 5.265 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.624 0.502 3.915 1.00 0.00 C ATOM 0 H THR A 797 2.704 2.256 1.639 1.00 0.00 H new ATOM 0 HA THR A 797 4.511 3.738 3.134 1.00 0.00 H new ATOM 0 HB THR A 797 2.489 2.310 3.861 1.00 0.00 H new ATOM 0 HG1 THR A 797 4.850 2.002 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 797 3.040 0.062 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.232 0.160 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.666 0.195 4.012 1.00 0.00 H new ATOM 1398 N ASN A 798 5.729 0.881 1.992 1.00 0.00 N ATOM 1399 CA ASN A 798 6.987 0.181 1.793 1.00 0.00 C ATOM 1400 C ASN A 798 7.871 1.035 0.914 1.00 0.00 C ATOM 1401 O ASN A 798 9.094 1.018 1.037 1.00 0.00 O ATOM 1402 CB ASN A 798 6.788 -1.203 1.175 1.00 0.00 C ATOM 1403 CG ASN A 798 6.879 -1.204 -0.341 1.00 0.00 C ATOM 1404 OD1 ASN A 798 5.873 -1.247 -1.033 1.00 0.00 O ATOM 1405 ND2 ASN A 798 8.098 -1.153 -0.868 1.00 0.00 N ATOM 0 H ASN A 798 4.921 0.453 1.541 1.00 0.00 H new ATOM 0 HA ASN A 798 7.456 0.019 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.538 -1.884 1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.814 -1.590 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 798 8.216 -1.149 -1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 798 8.916 -1.118 -0.259 1.00 0.00 H new ATOM 1412 N CYS A 799 7.245 1.810 0.031 1.00 0.00 N ATOM 1413 CA CYS A 799 8.006 2.671 -0.831 1.00 0.00 C ATOM 1414 C CYS A 799 8.533 3.837 -0.024 1.00 0.00 C ATOM 1415 O CYS A 799 9.592 4.377 -0.283 1.00 0.00 O ATOM 1416 CB CYS A 799 7.198 3.162 -2.007 1.00 0.00 C ATOM 1417 SG CYS A 799 7.966 4.562 -2.837 1.00 0.00 S ATOM 0 H CYS A 799 6.234 1.851 -0.095 1.00 0.00 H new ATOM 0 HA CYS A 799 8.836 2.096 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 799 7.069 2.348 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 799 6.203 3.448 -1.666 1.00 0.00 H new ATOM 0 HG CYS A 799 7.527 4.636 -4.058 1.00 0.00 H new ATOM 1423 N LYS A 800 7.750 4.200 0.955 1.00 0.00 N ATOM 1424 CA LYS A 800 8.044 5.285 1.866 1.00 0.00 C ATOM 1425 C LYS A 800 8.938 4.812 3.012 1.00 0.00 C ATOM 1426 O LYS A 800 9.603 5.598 3.686 1.00 0.00 O ATOM 1427 CB LYS A 800 6.715 5.762 2.365 1.00 0.00 C ATOM 1428 CG LYS A 800 5.973 6.564 1.319 1.00 0.00 C ATOM 1429 CD LYS A 800 5.074 7.596 1.943 1.00 0.00 C ATOM 1430 CE LYS A 800 3.815 6.971 2.489 1.00 0.00 C ATOM 1431 NZ LYS A 800 2.980 7.949 3.238 1.00 0.00 N ATOM 0 H LYS A 800 6.862 3.738 1.151 1.00 0.00 H new ATOM 0 HA LYS A 800 8.592 6.088 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.110 4.905 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.860 6.374 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.690 7.056 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 800 5.380 5.892 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 800 5.606 8.107 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.815 8.351 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 800 3.233 6.553 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 800 4.078 6.142 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 2.126 7.475 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 3.525 8.329 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 2.705 8.727 2.605 1.00 0.00 H new ATOM 1445 N GLU A 801 8.921 3.505 3.216 1.00 0.00 N ATOM 1446 CA GLU A 801 9.687 2.842 4.274 1.00 0.00 C ATOM 1447 C GLU A 801 11.164 2.759 3.955 1.00 0.00 C ATOM 1448 O GLU A 801 12.019 3.317 4.640 1.00 0.00 O ATOM 1449 CB GLU A 801 9.204 1.396 4.375 1.00 0.00 C ATOM 1450 CG GLU A 801 8.635 0.997 5.726 1.00 0.00 C ATOM 1451 CD GLU A 801 7.727 2.058 6.320 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.513 2.029 6.031 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.232 2.916 7.073 1.00 0.00 O ATOM 0 H GLU A 801 8.370 2.861 2.648 1.00 0.00 H new ATOM 0 HA GLU A 801 9.543 3.420 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.441 1.231 3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 801 10.037 0.734 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 801 8.077 0.067 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.455 0.800 6.416 1.00 0.00 H new ATOM 1460 N TYR A 802 11.414 2.050 2.880 1.00 0.00 N ATOM 1461 CA TYR A 802 12.740 1.770 2.385 1.00 0.00 C ATOM 1462 C TYR A 802 13.374 2.963 1.711 1.00 0.00 C ATOM 1463 O TYR A 802 14.436 3.447 2.100 1.00 0.00 O ATOM 1464 CB TYR A 802 12.580 0.661 1.350 1.00 0.00 C ATOM 1465 CG TYR A 802 13.848 0.170 0.705 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.113 0.577 1.116 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.754 -0.698 -0.355 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.247 0.114 0.479 1.00 0.00 C ATOM 1469 CE2 TYR A 802 14.870 -1.160 -0.999 1.00 0.00 C ATOM 1470 CZ TYR A 802 16.118 -0.754 -0.582 1.00 0.00 C ATOM 1471 OH TYR A 802 17.238 -1.215 -1.230 1.00 0.00 O ATOM 0 H TYR A 802 10.676 1.639 2.308 1.00 0.00 H new ATOM 0 HA TYR A 802 13.385 1.495 3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.088 -0.186 1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 802 11.912 1.017 0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.209 1.264 1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 802 12.779 -1.023 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.226 0.430 0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 802 14.772 -1.841 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 802 18.034 -1.004 -0.698 1.00 0.00 H new ATOM 1481 N ASN A 803 12.683 3.417 0.704 1.00 0.00 N ATOM 1482 CA ASN A 803 13.133 4.505 -0.138 1.00 0.00 C ATOM 1483 C ASN A 803 13.271 5.827 0.583 1.00 0.00 C ATOM 1484 O ASN A 803 12.755 6.017 1.685 1.00 0.00 O ATOM 1485 CB ASN A 803 12.144 4.668 -1.269 1.00 0.00 C ATOM 1486 CG ASN A 803 11.903 3.363 -2.003 1.00 0.00 C ATOM 1487 OD1 ASN A 803 12.797 2.522 -2.110 1.00 0.00 O ATOM 1488 ND2 ASN A 803 10.692 3.184 -2.511 1.00 0.00 N ATOM 0 H ASN A 803 11.774 3.039 0.435 1.00 0.00 H new ATOM 0 HA ASN A 803 14.130 4.242 -0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.199 5.042 -0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 803 12.515 5.416 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 803 10.472 2.324 -3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 803 9.980 3.906 -2.400 1.00 0.00 H new ATOM 1495 N PRO A 804 14.037 6.738 -0.039 1.00 0.00 N ATOM 1496 CA PRO A 804 14.232 8.098 0.436 1.00 0.00 C ATOM 1497 C PRO A 804 13.250 9.050 -0.247 1.00 0.00 C ATOM 1498 O PRO A 804 12.961 8.891 -1.432 1.00 0.00 O ATOM 1499 CB PRO A 804 15.637 8.393 -0.035 1.00 0.00 C ATOM 1500 CG PRO A 804 15.689 7.726 -1.371 1.00 0.00 C ATOM 1501 CD PRO A 804 14.859 6.475 -1.242 1.00 0.00 C ATOM 0 HA PRO A 804 14.080 8.214 1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.821 9.465 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.385 7.989 0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.293 8.379 -2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 804 16.716 7.487 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.241 6.309 -2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.482 5.589 -1.118 1.00 0.00 H new ATOM 1509 N PRO A 805 12.745 10.062 0.470 1.00 0.00 N ATOM 1510 CA PRO A 805 11.770 11.015 -0.075 1.00 0.00 C ATOM 1511 C PRO A 805 12.377 11.914 -1.150 1.00 0.00 C ATOM 1512 O PRO A 805 11.792 12.927 -1.531 1.00 0.00 O ATOM 1513 CB PRO A 805 11.349 11.842 1.147 1.00 0.00 C ATOM 1514 CG PRO A 805 11.864 11.088 2.330 1.00 0.00 C ATOM 1515 CD PRO A 805 13.095 10.383 1.851 1.00 0.00 C ATOM 0 HA PRO A 805 10.938 10.509 -0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.771 12.846 1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.266 11.953 1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 805 12.094 11.762 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 805 11.122 10.378 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 805 13.978 11.019 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 805 13.306 9.488 2.437 1.00 0.00 H new ATOM 1523 N GLU A 806 13.557 11.532 -1.635 1.00 0.00 N ATOM 1524 CA GLU A 806 14.257 12.280 -2.656 1.00 0.00 C ATOM 1525 C GLU A 806 14.224 11.527 -3.983 1.00 0.00 C ATOM 1526 O GLU A 806 14.205 12.130 -5.057 1.00 0.00 O ATOM 1527 CB GLU A 806 15.689 12.490 -2.194 1.00 0.00 C ATOM 1528 CG GLU A 806 16.681 12.019 -3.208 1.00 0.00 C ATOM 1529 CD GLU A 806 18.111 12.389 -2.868 1.00 0.00 C ATOM 1530 OE1 GLU A 806 18.543 13.498 -3.247 1.00 0.00 O ATOM 1531 OE2 GLU A 806 18.799 11.569 -2.225 1.00 0.00 O ATOM 0 H GLU A 806 14.048 10.693 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 806 13.774 13.245 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 806 15.853 13.548 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 806 15.849 11.958 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 806 16.606 10.936 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 806 16.425 12.442 -4.179 1.00 0.00 H new ATOM 1538 N SER A 807 14.220 10.202 -3.889 1.00 0.00 N ATOM 1539 CA SER A 807 14.192 9.335 -5.064 1.00 0.00 C ATOM 1540 C SER A 807 12.940 9.562 -5.892 1.00 0.00 C ATOM 1541 O SER A 807 12.203 10.527 -5.678 1.00 0.00 O ATOM 1542 CB SER A 807 14.265 7.890 -4.632 1.00 0.00 C ATOM 1543 OG SER A 807 15.603 7.504 -4.369 1.00 0.00 O ATOM 0 H SER A 807 14.236 9.699 -3.002 1.00 0.00 H new ATOM 0 HA SER A 807 15.054 9.578 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 807 13.658 7.743 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 807 13.845 7.253 -5.410 1.00 0.00 H new ATOM 0 HG SER A 807 15.640 6.537 -4.215 1.00 0.00 H new ATOM 1549 N GLU A 808 12.699 8.668 -6.836 1.00 0.00 N ATOM 1550 CA GLU A 808 11.536 8.775 -7.697 1.00 0.00 C ATOM 1551 C GLU A 808 10.348 8.029 -7.107 1.00 0.00 C ATOM 1552 O GLU A 808 9.211 8.495 -7.190 1.00 0.00 O ATOM 1553 CB GLU A 808 11.839 8.215 -9.087 1.00 0.00 C ATOM 1554 CG GLU A 808 13.318 8.153 -9.422 1.00 0.00 C ATOM 1555 CD GLU A 808 13.570 7.983 -10.907 1.00 0.00 C ATOM 1556 OE1 GLU A 808 13.629 6.824 -11.370 1.00 0.00 O ATOM 1557 OE2 GLU A 808 13.708 9.008 -11.608 1.00 0.00 O ATOM 0 H GLU A 808 13.293 7.861 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 808 11.287 9.833 -7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 808 11.418 7.212 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 808 11.334 8.830 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 808 13.804 9.065 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 808 13.775 7.324 -8.882 1.00 0.00 H new ATOM 1564 N TYR A 809 10.610 6.873 -6.502 1.00 0.00 N ATOM 1565 CA TYR A 809 9.531 6.067 -5.938 1.00 0.00 C ATOM 1566 C TYR A 809 8.872 6.679 -4.705 1.00 0.00 C ATOM 1567 O TYR A 809 7.650 6.799 -4.652 1.00 0.00 O ATOM 1568 CB TYR A 809 9.986 4.660 -5.587 1.00 0.00 C ATOM 1569 CG TYR A 809 11.440 4.513 -5.248 1.00 0.00 C ATOM 1570 CD1 TYR A 809 12.105 5.363 -4.393 1.00 0.00 C ATOM 1571 CD2 TYR A 809 12.146 3.492 -5.793 1.00 0.00 C ATOM 1572 CE1 TYR A 809 13.437 5.167 -4.109 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.446 3.296 -5.518 1.00 0.00 C ATOM 1574 CZ TYR A 809 14.103 4.130 -4.673 1.00 0.00 C ATOM 1575 OH TYR A 809 15.430 3.925 -4.388 1.00 0.00 O ATOM 0 H TYR A 809 11.544 6.478 -6.391 1.00 0.00 H new ATOM 0 HA TYR A 809 8.789 6.034 -6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 809 9.397 4.308 -4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.760 4.004 -6.428 1.00 0.00 H new ATOM 0 HD1 TYR A 809 11.577 6.190 -3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 809 11.647 2.814 -6.470 1.00 0.00 H new ATOM 0 HE1 TYR A 809 13.951 5.839 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 809 13.972 2.469 -5.972 1.00 0.00 H new ATOM 0 HH TYR A 809 15.669 2.997 -4.593 1.00 0.00 H new ATOM 1585 N TYR A 810 9.672 7.051 -3.710 1.00 0.00 N ATOM 1586 CA TYR A 810 9.139 7.579 -2.460 1.00 0.00 C ATOM 1587 C TYR A 810 8.037 8.594 -2.693 1.00 0.00 C ATOM 1588 O TYR A 810 6.913 8.405 -2.235 1.00 0.00 O ATOM 1589 CB TYR A 810 10.243 8.192 -1.609 1.00 0.00 C ATOM 1590 CG TYR A 810 9.882 8.270 -0.145 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.665 8.781 0.255 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.753 7.827 0.831 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.330 8.849 1.587 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.429 7.893 2.168 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.212 8.406 2.544 1.00 0.00 C ATOM 1596 OH TYR A 810 8.876 8.474 3.876 1.00 0.00 O ATOM 0 H TYR A 810 10.690 6.996 -3.746 1.00 0.00 H new ATOM 0 HA TYR A 810 8.707 6.735 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.152 7.602 -1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.465 9.194 -1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 810 7.965 9.133 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.710 7.420 0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.372 9.251 1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 810 11.127 7.544 2.915 1.00 0.00 H new ATOM 0 HH TYR A 810 8.970 7.587 4.283 1.00 0.00 H new ATOM 1606 N LYS A 811 8.352 9.674 -3.379 1.00 0.00 N ATOM 1607 CA LYS A 811 7.347 10.682 -3.652 1.00 0.00 C ATOM 1608 C LYS A 811 6.166 10.029 -4.324 1.00 0.00 C ATOM 1609 O LYS A 811 5.025 10.268 -3.964 1.00 0.00 O ATOM 1610 CB LYS A 811 7.906 11.767 -4.561 1.00 0.00 C ATOM 1611 CG LYS A 811 9.077 12.506 -3.964 1.00 0.00 C ATOM 1612 CD LYS A 811 8.707 13.934 -3.625 1.00 0.00 C ATOM 1613 CE LYS A 811 7.845 13.986 -2.380 1.00 0.00 C ATOM 1614 NZ LYS A 811 8.657 14.185 -1.148 1.00 0.00 N ATOM 0 H LYS A 811 9.280 9.875 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 811 7.042 11.140 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 811 8.213 11.317 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.115 12.481 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.415 11.992 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.911 12.500 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 811 9.612 14.522 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 811 8.173 14.384 -4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 811 7.122 14.797 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 811 7.276 13.060 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 8.190 13.717 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 9.603 13.775 -1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 8.746 15.202 -0.951 1.00 0.00 H new ATOM 1628 N CYS A 812 6.468 9.212 -5.317 1.00 0.00 N ATOM 1629 CA CYS A 812 5.450 8.487 -6.052 1.00 0.00 C ATOM 1630 C CYS A 812 4.548 7.708 -5.104 1.00 0.00 C ATOM 1631 O CYS A 812 3.392 7.450 -5.411 1.00 0.00 O ATOM 1632 CB CYS A 812 6.105 7.527 -7.035 1.00 0.00 C ATOM 1633 SG CYS A 812 6.600 8.287 -8.600 1.00 0.00 S ATOM 0 H CYS A 812 7.421 9.034 -5.635 1.00 0.00 H new ATOM 0 HA CYS A 812 4.842 9.210 -6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 812 6.984 7.087 -6.564 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.413 6.711 -7.244 1.00 0.00 H new ATOM 0 HG CYS A 812 7.852 8.631 -8.539 1.00 0.00 H new ATOM 1639 N ALA A 813 5.087 7.331 -3.953 1.00 0.00 N ATOM 1640 CA ALA A 813 4.319 6.591 -2.964 1.00 0.00 C ATOM 1641 C ALA A 813 3.318 7.522 -2.304 1.00 0.00 C ATOM 1642 O ALA A 813 2.135 7.227 -2.237 1.00 0.00 O ATOM 1643 CB ALA A 813 5.252 5.963 -1.940 1.00 0.00 C ATOM 0 H ALA A 813 6.051 7.525 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 813 3.771 5.784 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.667 5.411 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.938 5.281 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.821 6.746 -1.438 1.00 0.00 H new ATOM 1649 N ASN A 814 3.820 8.653 -1.839 1.00 0.00 N ATOM 1650 CA ASN A 814 3.015 9.683 -1.210 1.00 0.00 C ATOM 1651 C ASN A 814 1.967 10.191 -2.190 1.00 0.00 C ATOM 1652 O ASN A 814 0.792 10.376 -1.863 1.00 0.00 O ATOM 1653 CB ASN A 814 3.941 10.832 -0.841 1.00 0.00 C ATOM 1654 CG ASN A 814 3.354 11.752 0.210 1.00 0.00 C ATOM 1655 OD1 ASN A 814 2.574 11.326 1.062 1.00 0.00 O ATOM 1656 ND2 ASN A 814 3.725 13.027 0.154 1.00 0.00 N ATOM 0 H ASN A 814 4.812 8.884 -1.889 1.00 0.00 H new ATOM 0 HA ASN A 814 2.513 9.283 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.885 10.428 -0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.168 11.411 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 814 3.361 13.694 0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 814 4.374 13.338 -0.569 1.00 0.00 H new ATOM 1663 N ILE A 815 2.438 10.378 -3.406 1.00 0.00 N ATOM 1664 CA ILE A 815 1.645 10.881 -4.509 1.00 0.00 C ATOM 1665 C ILE A 815 0.545 9.912 -4.860 1.00 0.00 C ATOM 1666 O ILE A 815 -0.632 10.260 -4.863 1.00 0.00 O ATOM 1667 CB ILE A 815 2.542 11.122 -5.721 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.317 12.408 -5.511 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.739 11.162 -7.005 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.651 12.396 -6.178 1.00 0.00 C ATOM 0 H ILE A 815 3.406 10.180 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 815 1.186 11.823 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 815 3.243 10.293 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.733 13.245 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.452 12.575 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.408 11.335 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.223 10.212 -7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.007 11.968 -6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.159 13.342 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.250 11.578 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.520 12.259 -7.251 1.00 0.00 H new ATOM 1682 N LEU A 816 0.945 8.698 -5.180 1.00 0.00 N ATOM 1683 CA LEU A 816 -0.003 7.658 -5.488 1.00 0.00 C ATOM 1684 C LEU A 816 -0.970 7.546 -4.335 1.00 0.00 C ATOM 1685 O LEU A 816 -2.167 7.698 -4.495 1.00 0.00 O ATOM 1686 CB LEU A 816 0.721 6.337 -5.690 1.00 0.00 C ATOM 1687 CG LEU A 816 0.049 5.364 -6.628 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.843 4.100 -6.690 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.350 5.108 -6.178 1.00 0.00 C ATOM 0 H LEU A 816 1.923 8.412 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.539 7.899 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.722 6.545 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.840 5.856 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 816 0.005 5.788 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.357 3.398 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.847 4.319 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.905 3.660 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.829 4.405 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.338 4.687 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.908 6.045 -6.172 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.414 7.308 -3.166 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.187 7.191 -1.946 1.00 0.00 C ATOM 1703 C GLU A 817 -2.251 8.297 -1.871 1.00 0.00 C ATOM 1704 O GLU A 817 -3.305 8.132 -1.271 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.227 7.293 -0.765 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.822 6.839 0.558 1.00 0.00 C ATOM 1707 CD GLU A 817 -1.292 7.998 1.415 1.00 0.00 C ATOM 1708 OE1 GLU A 817 -2.455 8.423 1.256 1.00 0.00 O ATOM 1709 OE2 GLU A 817 -0.496 8.481 2.248 1.00 0.00 O ATOM 0 H GLU A 817 0.590 7.190 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.706 6.233 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.659 6.694 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.103 8.327 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.662 6.171 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -0.078 6.264 1.108 1.00 0.00 H new ATOM 1716 N LYS A 818 -1.950 9.432 -2.476 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.842 10.560 -2.527 1.00 0.00 C ATOM 1718 C LYS A 818 -3.902 10.373 -3.625 1.00 0.00 C ATOM 1719 O LYS A 818 -5.102 10.454 -3.355 1.00 0.00 O ATOM 1720 CB LYS A 818 -1.950 11.742 -2.738 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.404 12.664 -3.800 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.224 13.384 -4.421 1.00 0.00 C ATOM 1723 CE LYS A 818 -1.273 13.304 -5.933 1.00 0.00 C ATOM 1724 NZ LYS A 818 -2.478 13.978 -6.489 1.00 0.00 N ATOM 0 H LYS A 818 -1.062 9.591 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.427 10.688 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.871 12.295 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -0.949 11.388 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -2.942 12.107 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.103 13.390 -3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.225 14.428 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.294 12.944 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.376 13.763 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.268 12.258 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -2.430 13.974 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -3.332 13.472 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -2.515 14.960 -6.148 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.458 10.123 -4.860 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.378 9.875 -5.971 1.00 0.00 C ATOM 1740 C PHE A 819 -5.265 8.713 -5.570 1.00 0.00 C ATOM 1741 O PHE A 819 -6.494 8.797 -5.588 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.564 9.556 -7.235 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.283 8.798 -8.330 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.725 7.495 -8.135 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.469 9.376 -9.576 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.334 6.792 -9.137 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.090 8.674 -10.593 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.521 7.379 -10.374 1.00 0.00 C ATOM 0 H PHE A 819 -2.471 10.087 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 819 -4.998 10.745 -6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.201 10.495 -7.653 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.688 8.979 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.584 7.028 -7.171 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.126 10.384 -9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.668 5.780 -8.962 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.238 9.137 -11.557 1.00 0.00 H new ATOM 0 HZ PHE A 819 -6.003 6.827 -11.168 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.598 7.615 -5.242 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.243 6.420 -4.755 1.00 0.00 C ATOM 1760 C PHE A 820 -6.276 6.816 -3.731 1.00 0.00 C ATOM 1761 O PHE A 820 -7.413 6.384 -3.824 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.173 5.481 -4.209 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.448 4.813 -2.912 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -5.027 3.605 -2.936 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -4.059 5.334 -1.704 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -5.239 2.889 -1.811 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -4.282 4.627 -0.536 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.876 3.389 -0.599 1.00 0.00 C ATOM 0 H PHE A 820 -3.583 7.536 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.767 5.883 -5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -3.992 4.707 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.248 6.048 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -5.334 3.191 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -3.577 6.300 -1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -5.699 1.914 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -3.992 5.044 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.052 2.820 0.302 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.898 7.698 -2.801 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.836 8.156 -1.787 1.00 0.00 C ATOM 1780 C PHE A 821 -8.103 8.717 -2.402 1.00 0.00 C ATOM 1781 O PHE A 821 -9.190 8.517 -1.870 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.190 9.143 -0.828 1.00 0.00 C ATOM 1783 CG PHE A 821 -6.020 8.514 0.515 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.266 7.379 0.603 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.659 8.986 1.648 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.125 6.696 1.784 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.517 8.322 2.857 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.748 7.169 2.924 1.00 0.00 C ATOM 0 H PHE A 821 -4.963 8.100 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.126 7.283 -1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.222 9.459 -1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.807 10.038 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -4.767 7.009 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.270 9.874 1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.531 5.795 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -7.003 8.701 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.637 6.644 3.861 1.00 0.00 H new ATOM 1798 N SER A 822 -7.970 9.400 -3.525 1.00 0.00 N ATOM 1799 CA SER A 822 -9.131 9.956 -4.203 1.00 0.00 C ATOM 1800 C SER A 822 -9.954 8.845 -4.860 1.00 0.00 C ATOM 1801 O SER A 822 -11.153 8.992 -5.062 1.00 0.00 O ATOM 1802 CB SER A 822 -8.698 10.982 -5.252 1.00 0.00 C ATOM 1803 OG SER A 822 -9.814 11.499 -5.954 1.00 0.00 O ATOM 0 H SER A 822 -7.078 9.583 -3.985 1.00 0.00 H new ATOM 0 HA SER A 822 -9.753 10.456 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.161 11.797 -4.767 1.00 0.00 H new ATOM 0 HB3 SER A 822 -8.006 10.518 -5.955 1.00 0.00 H new ATOM 0 HG SER A 822 -9.509 12.153 -6.617 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.293 7.730 -5.175 1.00 0.00 N ATOM 1810 CA LYS A 823 -9.941 6.577 -5.819 1.00 0.00 C ATOM 1811 C LYS A 823 -10.675 5.697 -4.824 1.00 0.00 C ATOM 1812 O LYS A 823 -11.746 5.167 -5.114 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.884 5.746 -6.546 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.084 6.518 -7.567 1.00 0.00 C ATOM 1815 CD LYS A 823 -8.981 7.275 -8.519 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.328 8.544 -9.012 1.00 0.00 C ATOM 1817 NZ LYS A 823 -9.326 9.527 -9.519 1.00 0.00 N ATOM 0 H LYS A 823 -8.298 7.597 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.679 6.964 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.201 5.323 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.375 4.909 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.421 7.217 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.452 5.831 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -9.228 6.639 -9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.919 7.519 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.755 8.995 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -7.621 8.303 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.835 10.383 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.856 9.107 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -9.985 9.778 -8.755 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.097 5.542 -3.656 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.698 4.736 -2.616 1.00 0.00 C ATOM 1833 C ILE A 824 -11.865 5.514 -2.062 1.00 0.00 C ATOM 1834 O ILE A 824 -12.976 5.012 -1.939 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.704 4.454 -1.504 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.643 5.492 -1.514 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -9.090 3.091 -1.674 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.499 5.188 -0.621 1.00 0.00 C ATOM 0 H ILE A 824 -9.205 5.966 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 824 -11.018 3.779 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.229 4.477 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.275 5.612 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -9.079 6.446 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.381 2.908 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.873 2.333 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.571 3.043 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.766 5.992 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.853 5.098 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -7.036 4.250 -0.929 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.587 6.780 -1.786 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.582 7.693 -1.260 1.00 0.00 C ATOM 1852 C LYS A 825 -13.801 7.658 -2.151 1.00 0.00 C ATOM 1853 O LYS A 825 -14.936 7.499 -1.703 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.054 9.116 -1.247 1.00 0.00 C ATOM 1855 CG LYS A 825 -11.935 9.692 0.146 1.00 0.00 C ATOM 1856 CD LYS A 825 -11.380 11.093 0.125 1.00 0.00 C ATOM 1857 CE LYS A 825 -9.897 11.068 -0.170 1.00 0.00 C ATOM 1858 NZ LYS A 825 -9.458 12.266 -0.939 1.00 0.00 N ATOM 0 H LYS A 825 -10.667 7.199 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.827 7.387 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -11.076 9.139 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.715 9.748 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -12.915 9.696 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.289 9.054 0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.898 11.685 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.558 11.576 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -9.342 11.016 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -9.655 10.167 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -8.435 12.207 -1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -9.967 12.303 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -9.664 13.125 -0.391 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.518 7.820 -3.437 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.533 7.824 -4.470 1.00 0.00 C ATOM 1874 C GLU A 826 -15.322 6.535 -4.438 1.00 0.00 C ATOM 1875 O GLU A 826 -16.534 6.524 -4.655 1.00 0.00 O ATOM 1876 CB GLU A 826 -13.864 8.008 -5.841 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.721 6.728 -6.650 1.00 0.00 C ATOM 1878 CD GLU A 826 -14.986 6.353 -7.398 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -15.355 7.082 -8.342 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -15.605 5.327 -7.044 1.00 0.00 O ATOM 0 H GLU A 826 -12.570 7.953 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.222 8.650 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.444 8.726 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -12.875 8.442 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -12.905 6.845 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -13.445 5.912 -5.982 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.621 5.449 -4.166 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.247 4.145 -4.132 1.00 0.00 C ATOM 1889 C ALA A 827 -15.734 3.751 -2.739 1.00 0.00 C ATOM 1890 O ALA A 827 -15.958 2.572 -2.473 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.278 3.117 -4.666 1.00 0.00 C ATOM 0 H ALA A 827 -13.621 5.447 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.136 4.189 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.744 2.132 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -14.010 3.368 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.380 3.108 -4.048 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.920 4.733 -1.860 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.384 4.437 -0.511 1.00 0.00 C ATOM 1899 C GLY A 828 -15.465 3.473 0.209 1.00 0.00 C ATOM 1900 O GLY A 828 -15.905 2.704 1.060 1.00 0.00 O ATOM 0 H GLY A 828 -15.760 5.722 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.455 5.363 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.387 4.014 -0.558 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.186 3.543 -0.125 1.00 0.00 N ATOM 1905 CA LEU A 829 -13.175 2.671 0.443 1.00 0.00 C ATOM 1906 C LEU A 829 -12.748 3.171 1.810 1.00 0.00 C ATOM 1907 O LEU A 829 -13.505 3.051 2.769 1.00 0.00 O ATOM 1908 CB LEU A 829 -12.010 2.603 -0.543 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.394 1.996 -1.901 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.253 1.271 -2.543 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.569 1.043 -1.778 1.00 0.00 C ATOM 0 H LEU A 829 -13.820 4.212 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.569 1.666 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.618 3.608 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.206 2.012 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.674 2.840 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.575 0.860 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.427 1.963 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.925 0.460 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.810 0.634 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.309 0.230 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.433 1.579 -1.386 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.552 3.749 1.870 1.00 0.00 N ATOM 1924 CA ILE A 830 -10.982 4.312 3.082 1.00 0.00 C ATOM 1925 C ILE A 830 -11.869 4.126 4.331 1.00 0.00 C ATOM 1926 O ILE A 830 -12.146 2.989 4.718 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.669 5.776 2.791 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.655 5.948 1.289 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.314 6.142 3.334 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.904 7.152 0.821 1.00 0.00 C ATOM 0 H ILE A 830 -10.942 3.839 1.058 1.00 0.00 H new ATOM 0 HA ILE A 830 -10.071 3.772 3.340 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.417 6.416 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.215 5.060 0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.683 6.012 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -9.106 7.190 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.299 5.984 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.553 5.517 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -9.941 7.204 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.356 8.050 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.866 7.082 1.146 1.00 0.00 H new ATOM 1942 N ASP A 831 -12.268 5.221 4.987 1.00 0.00 N ATOM 1943 CA ASP A 831 -13.139 5.157 6.159 1.00 0.00 C ATOM 1944 C ASP A 831 -12.432 4.584 7.388 1.00 0.00 C ATOM 1945 O ASP A 831 -12.850 4.840 8.517 1.00 0.00 O ATOM 1946 CB ASP A 831 -14.403 4.346 5.855 1.00 0.00 C ATOM 1947 CG ASP A 831 -15.336 5.067 4.904 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -15.183 4.897 3.677 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -16.223 5.803 5.387 1.00 0.00 O ATOM 0 H ASP A 831 -11.997 6.168 4.721 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.418 6.184 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -14.120 3.385 5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -14.929 4.135 6.786 1.00 0.00 H new ATOM 1954 N LYS A 832 -11.369 3.811 7.178 1.00 0.00 N ATOM 1955 CA LYS A 832 -10.633 3.219 8.291 1.00 0.00 C ATOM 1956 C LYS A 832 -10.098 4.300 9.229 1.00 0.00 C ATOM 1957 O LYS A 832 -9.196 5.057 8.811 1.00 0.00 O ATOM 1958 CB LYS A 832 -9.482 2.344 7.785 1.00 0.00 C ATOM 1959 CG LYS A 832 -8.594 3.022 6.753 1.00 0.00 C ATOM 1960 CD LYS A 832 -7.202 2.406 6.721 1.00 0.00 C ATOM 1961 CE LYS A 832 -7.242 0.939 6.321 1.00 0.00 C ATOM 1962 NZ LYS A 832 -5.887 0.321 6.343 1.00 0.00 N ATOM 1963 OXT LYS A 832 -10.587 4.380 10.375 1.00 0.00 O ATOM 0 H LYS A 832 -11.001 3.582 6.255 1.00 0.00 H new ATOM 0 HA LYS A 832 -11.327 2.589 8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -8.869 2.042 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -9.896 1.434 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -9.052 2.939 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -8.517 4.085 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -6.577 2.957 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -6.739 2.502 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -7.900 0.396 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -7.667 0.846 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -5.686 -0.107 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -5.176 1.051 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -5.852 -0.413 7.079 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 26.556 -3.384 -9.477 1.00 0.00 N ATOM 1979 CA SER B 31 25.876 -4.588 -10.022 1.00 0.00 C ATOM 1980 C SER B 31 25.023 -5.261 -8.952 1.00 0.00 C ATOM 1981 O SER B 31 24.938 -6.488 -8.891 1.00 0.00 O ATOM 1982 CB SER B 31 26.911 -5.577 -10.561 1.00 0.00 C ATOM 1983 OG SER B 31 27.688 -4.993 -11.593 1.00 0.00 O ATOM 0 HA SER B 31 25.223 -4.272 -10.836 1.00 0.00 H new ATOM 0 HB2 SER B 31 27.563 -5.903 -9.751 1.00 0.00 H new ATOM 0 HB3 SER B 31 26.406 -6.465 -10.940 1.00 0.00 H new ATOM 0 HG SER B 31 27.723 -4.022 -11.466 1.00 0.00 H new ATOM 1991 N THR B 32 24.394 -4.450 -8.109 1.00 0.00 N ATOM 1992 CA THR B 32 23.548 -4.964 -7.039 1.00 0.00 C ATOM 1993 C THR B 32 22.073 -4.888 -7.418 1.00 0.00 C ATOM 1994 O THR B 32 21.317 -5.835 -7.200 1.00 0.00 O ATOM 1995 CB THR B 32 23.769 -4.189 -5.727 1.00 0.00 C ATOM 1996 OG1 THR B 32 23.506 -2.794 -5.929 1.00 0.00 O ATOM 1997 CG2 THR B 32 25.192 -4.373 -5.222 1.00 0.00 C ATOM 0 H THR B 32 24.454 -3.432 -8.146 1.00 0.00 H new ATOM 0 HA THR B 32 23.828 -6.007 -6.889 1.00 0.00 H new ATOM 0 HB THR B 32 23.081 -4.583 -4.979 1.00 0.00 H new ATOM 0 HG1 THR B 32 23.647 -2.309 -5.089 1.00 0.00 H new ATOM 0 HG21 THR B 32 25.324 -3.816 -4.294 1.00 0.00 H new ATOM 0 HG22 THR B 32 25.379 -5.431 -5.040 1.00 0.00 H new ATOM 0 HG23 THR B 32 25.894 -4.004 -5.970 1.00 0.00 H new ATOM 2005 N GLY B 33 21.670 -3.756 -7.986 1.00 0.00 N ATOM 2006 CA GLY B 33 20.286 -3.579 -8.385 1.00 0.00 C ATOM 2007 C GLY B 33 20.133 -2.628 -9.555 1.00 0.00 C ATOM 2008 O GLY B 33 20.374 -1.428 -9.423 1.00 0.00 O ATOM 0 H GLY B 33 22.277 -2.959 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY B 33 19.862 -4.547 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY B 33 19.713 -3.202 -7.538 1.00 0.00 H new ATOM 2012 N GLY B 34 19.731 -3.164 -10.704 1.00 0.00 N ATOM 2013 CA GLY B 34 19.548 -2.339 -11.884 1.00 0.00 C ATOM 2014 C GLY B 34 18.483 -1.281 -11.681 1.00 0.00 C ATOM 2015 O GLY B 34 18.628 -0.145 -12.133 1.00 0.00 O ATOM 0 H GLY B 34 19.529 -4.155 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY B 34 20.492 -1.858 -12.139 1.00 0.00 H new ATOM 0 HA3 GLY B 34 19.274 -2.971 -12.729 1.00 0.00 H new ATOM 2019 N VAL B 35 17.408 -1.659 -10.997 1.00 0.00 N ATOM 2020 CA VAL B 35 16.309 -0.742 -10.721 1.00 0.00 C ATOM 2021 C VAL B 35 16.149 -0.552 -9.215 1.00 0.00 C ATOM 2022 O VAL B 35 16.939 -1.082 -8.435 1.00 0.00 O ATOM 2023 CB VAL B 35 14.982 -1.261 -11.319 1.00 0.00 C ATOM 2024 CG1 VAL B 35 14.001 -0.116 -11.549 1.00 0.00 C ATOM 2025 CG2 VAL B 35 15.236 -2.012 -12.618 1.00 0.00 C ATOM 0 H VAL B 35 17.275 -2.598 -10.622 1.00 0.00 H new ATOM 0 HA VAL B 35 16.547 0.214 -11.188 1.00 0.00 H new ATOM 0 HB VAL B 35 14.537 -1.950 -10.601 1.00 0.00 H new ATOM 0 HG11 VAL B 35 13.076 -0.509 -11.970 1.00 0.00 H new ATOM 0 HG12 VAL B 35 13.787 0.376 -10.600 1.00 0.00 H new ATOM 0 HG13 VAL B 35 14.438 0.604 -12.241 1.00 0.00 H new ATOM 0 HG21 VAL B 35 14.289 -2.369 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL B 35 15.710 -1.344 -13.338 1.00 0.00 H new ATOM 0 HG23 VAL B 35 15.892 -2.861 -12.425 1.00 0.00 H new HETATM 2035 OH ALY B 36 10.383 1.128 -4.942 1.00 0.00 O HETATM 2036 CH ALY B 36 9.827 0.032 -4.861 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.352 -0.024 -4.456 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.464 -1.101 -5.132 1.00 0.00 N HETATM 2039 CE ALY B 36 11.769 -1.450 -4.579 1.00 0.00 C HETATM 2040 CD ALY B 36 12.816 -1.606 -5.664 1.00 0.00 C HETATM 2041 CG ALY B 36 14.017 -0.765 -5.368 1.00 0.00 C HETATM 2042 CB ALY B 36 14.947 -0.778 -6.544 1.00 0.00 C HETATM 2043 CA ALY B 36 14.839 0.483 -7.414 1.00 0.00 C HETATM 2044 N ALY B 36 15.131 0.211 -8.821 1.00 0.00 N HETATM 2045 C ALY B 36 15.774 1.531 -6.834 1.00 0.00 C HETATM 2046 O ALY B 36 15.931 1.583 -5.614 1.00 0.00 O HETATM 0 HH33 ALY B 36 8.229 0.418 -3.467 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.755 0.532 -5.179 1.00 0.00 H new HETATM 0 HH31 ALY B 36 8.020 -1.062 -4.433 1.00 0.00 H new HETATM 0 HZ ALY B 36 10.016 -1.766 -5.763 1.00 0.00 H new HETATM 0 HG3 ALY B 36 14.529 -1.144 -4.483 1.00 0.00 H new HETATM 0 HG2 ALY B 36 13.711 0.257 -5.146 1.00 0.00 H new HETATM 0 HE3 ALY B 36 11.688 -2.379 -4.015 1.00 0.00 H new HETATM 0 HE2 ALY B 36 12.085 -0.678 -3.877 1.00 0.00 H new HETATM 0 HD3 ALY B 36 12.394 -1.319 -6.627 1.00 0.00 H new HETATM 0 HD2 ALY B 36 13.110 -2.653 -5.744 1.00 0.00 H new HETATM 0 HCA ALY B 36 13.813 0.851 -7.398 1.00 0.00 H new HETATM 0 HB3 ALY B 36 14.735 -1.654 -7.157 1.00 0.00 H new HETATM 0 HB2 ALY B 36 15.972 -0.879 -6.187 1.00 0.00 H new HETATM 0 H2 ALY B 36 15.094 0.967 -9.505 1.00 0.00 H new ATOM 2061 N LYS B 37 16.367 2.379 -7.687 1.00 0.00 N ATOM 2062 CA LYS B 37 17.295 3.408 -7.205 1.00 0.00 C ATOM 2063 C LYS B 37 17.936 2.924 -5.905 1.00 0.00 C ATOM 2064 O LYS B 37 17.828 3.577 -4.868 1.00 0.00 O ATOM 2065 CB LYS B 37 16.562 4.741 -6.980 1.00 0.00 C ATOM 2066 CG LYS B 37 17.025 5.852 -7.908 1.00 0.00 C ATOM 2067 CD LYS B 37 16.305 7.160 -7.615 1.00 0.00 C ATOM 2068 CE LYS B 37 16.808 8.283 -8.507 1.00 0.00 C ATOM 2069 NZ LYS B 37 16.125 9.574 -8.212 1.00 0.00 N ATOM 0 H LYS B 37 16.223 2.373 -8.697 1.00 0.00 H new ATOM 0 HA LYS B 37 18.068 3.578 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS B 37 15.492 4.586 -7.118 1.00 0.00 H new ATOM 0 HB3 LYS B 37 16.708 5.057 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS B 37 18.100 5.995 -7.798 1.00 0.00 H new ATOM 0 HG3 LYS B 37 16.846 5.561 -8.943 1.00 0.00 H new ATOM 0 HD2 LYS B 37 15.233 7.028 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS B 37 16.451 7.431 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS B 37 17.883 8.401 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS B 37 16.647 8.017 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 15.912 10.066 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 15.240 9.389 -7.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 16.746 10.170 -7.628 1.00 0.00 H new ATOM 2083 N PRO B 38 18.623 1.760 -5.970 1.00 0.00 N ATOM 2084 CA PRO B 38 19.231 1.097 -4.832 1.00 0.00 C ATOM 2085 C PRO B 38 19.466 1.984 -3.619 1.00 0.00 C ATOM 2086 O PRO B 38 20.223 2.954 -3.671 1.00 0.00 O ATOM 2087 CB PRO B 38 20.540 0.616 -5.440 1.00 0.00 C ATOM 2088 CG PRO B 38 20.146 0.174 -6.808 1.00 0.00 C ATOM 2089 CD PRO B 38 18.942 1.008 -7.198 1.00 0.00 C ATOM 0 HA PRO B 38 18.591 0.319 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO B 38 21.283 1.412 -5.474 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.974 -0.201 -4.864 1.00 0.00 H new ATOM 0 HG2 PRO B 38 20.964 0.319 -7.514 1.00 0.00 H new ATOM 0 HG3 PRO B 38 19.902 -0.888 -6.818 1.00 0.00 H new ATOM 0 HD2 PRO B 38 19.170 1.676 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO B 38 18.107 0.382 -7.512 1.00 0.00 H new ATOM 2097 N HIS B 39 18.801 1.629 -2.527 1.00 0.00 N ATOM 2098 CA HIS B 39 18.920 2.357 -1.275 1.00 0.00 C ATOM 2099 C HIS B 39 19.248 1.389 -0.141 1.00 0.00 C ATOM 2100 O HIS B 39 19.339 0.181 -0.357 1.00 0.00 O ATOM 2101 CB HIS B 39 17.623 3.107 -0.962 1.00 0.00 C ATOM 2102 CG HIS B 39 17.842 4.320 -0.109 1.00 0.00 C ATOM 2103 ND1 HIS B 39 17.916 4.266 1.268 1.00 0.00 N ATOM 2104 CD2 HIS B 39 18.021 5.620 -0.441 1.00 0.00 C ATOM 2105 CE1 HIS B 39 18.130 5.480 1.744 1.00 0.00 C ATOM 2106 NE2 HIS B 39 18.199 6.318 0.729 1.00 0.00 N ATOM 0 H HIS B 39 18.167 0.831 -2.486 1.00 0.00 H new ATOM 0 HA HIS B 39 19.726 3.085 -1.372 1.00 0.00 H new ATOM 0 HB2 HIS B 39 17.148 3.407 -1.896 1.00 0.00 H new ATOM 0 HB3 HIS B 39 16.932 2.433 -0.456 1.00 0.00 H new ATOM 0 HD2 HIS B 39 18.023 6.032 -1.439 1.00 0.00 H new ATOM 0 HE1 HIS B 39 18.231 5.741 2.787 1.00 0.00 H new ATOM 0 HE2 HIS B 39 18.359 7.323 0.801 1.00 0.00 H new ATOM 2115 N ARG B 40 19.429 1.920 1.062 1.00 0.00 N ATOM 2116 CA ARG B 40 19.734 1.093 2.224 1.00 0.00 C ATOM 2117 C ARG B 40 19.008 1.613 3.459 1.00 0.00 C ATOM 2118 O ARG B 40 19.545 2.429 4.208 1.00 0.00 O ATOM 2119 CB ARG B 40 21.244 1.061 2.474 1.00 0.00 C ATOM 2120 CG ARG B 40 22.026 0.354 1.378 1.00 0.00 C ATOM 2121 CD ARG B 40 23.522 0.394 1.645 1.00 0.00 C ATOM 2122 NE ARG B 40 23.868 -0.229 2.920 1.00 0.00 N ATOM 2123 CZ ARG B 40 25.109 -0.295 3.397 1.00 0.00 C ATOM 2124 NH1 ARG B 40 26.117 0.221 2.706 1.00 0.00 N ATOM 2125 NH2 ARG B 40 25.342 -0.875 4.566 1.00 0.00 N ATOM 0 H ARG B 40 19.370 2.919 1.259 1.00 0.00 H new ATOM 0 HA ARG B 40 19.390 0.079 2.022 1.00 0.00 H new ATOM 0 HB2 ARG B 40 21.610 2.083 2.569 1.00 0.00 H new ATOM 0 HB3 ARG B 40 21.436 0.564 3.425 1.00 0.00 H new ATOM 0 HG2 ARG B 40 21.696 -0.682 1.305 1.00 0.00 H new ATOM 0 HG3 ARG B 40 21.814 0.824 0.418 1.00 0.00 H new ATOM 0 HD2 ARG B 40 24.048 -0.116 0.838 1.00 0.00 H new ATOM 0 HD3 ARG B 40 23.863 1.429 1.643 1.00 0.00 H new ATOM 0 HE ARG B 40 23.116 -0.636 3.476 1.00 0.00 H new ATOM 0 HH11 ARG B 40 25.942 0.670 1.807 1.00 0.00 H new ATOM 0 HH12 ARG B 40 27.067 0.169 3.074 1.00 0.00 H new ATOM 0 HH21 ARG B 40 24.570 -1.272 5.101 1.00 0.00 H new ATOM 0 HH22 ARG B 40 26.294 -0.925 4.930 1.00 0.00 H new ATOM 2139 N TYR B 41 17.781 1.136 3.670 1.00 0.00 N ATOM 2140 CA TYR B 41 16.988 1.569 4.814 1.00 0.00 C ATOM 2141 C TYR B 41 17.391 0.823 6.084 1.00 0.00 C ATOM 2142 O TYR B 41 18.298 1.252 6.800 1.00 0.00 O ATOM 2143 CB TYR B 41 15.486 1.393 4.540 1.00 0.00 C ATOM 2144 CG TYR B 41 14.610 1.981 5.631 1.00 0.00 C ATOM 2145 CD1 TYR B 41 14.811 3.283 6.076 1.00 0.00 C ATOM 2146 CD2 TYR B 41 13.593 1.240 6.221 1.00 0.00 C ATOM 2147 CE1 TYR B 41 14.025 3.828 7.073 1.00 0.00 C ATOM 2148 CE2 TYR B 41 12.804 1.779 7.220 1.00 0.00 C ATOM 2149 CZ TYR B 41 13.023 3.072 7.642 1.00 0.00 C ATOM 2150 OH TYR B 41 12.241 3.610 8.638 1.00 0.00 O ATOM 0 H TYR B 41 17.320 0.455 3.067 1.00 0.00 H new ATOM 0 HA TYR B 41 17.188 2.629 4.969 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.238 1.865 3.589 1.00 0.00 H new ATOM 0 HB3 TYR B 41 15.263 0.331 4.436 1.00 0.00 H new ATOM 0 HD1 TYR B 41 15.596 3.879 5.634 1.00 0.00 H new ATOM 0 HD2 TYR B 41 13.416 0.226 5.894 1.00 0.00 H new ATOM 0 HE1 TYR B 41 14.195 4.842 7.405 1.00 0.00 H new ATOM 0 HE2 TYR B 41 12.019 1.188 7.668 1.00 0.00 H new ATOM 0 HH TYR B 41 11.581 2.947 8.930 1.00 0.00 H new ATOM 2160 N LYS B 42 16.722 -0.291 6.363 1.00 0.00 N ATOM 2161 CA LYS B 42 17.024 -1.083 7.550 1.00 0.00 C ATOM 2162 C LYS B 42 18.336 -1.839 7.381 1.00 0.00 C ATOM 2163 O LYS B 42 18.456 -2.703 6.516 1.00 0.00 O ATOM 2164 CB LYS B 42 15.887 -2.066 7.839 1.00 0.00 C ATOM 2165 CG LYS B 42 14.636 -1.400 8.385 1.00 0.00 C ATOM 2166 CD LYS B 42 13.552 -2.418 8.700 1.00 0.00 C ATOM 2167 CE LYS B 42 12.306 -1.748 9.255 1.00 0.00 C ATOM 2168 NZ LYS B 42 11.230 -2.734 9.549 1.00 0.00 N ATOM 0 H LYS B 42 15.969 -0.665 5.785 1.00 0.00 H new ATOM 0 HA LYS B 42 17.126 -0.400 8.394 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.635 -2.598 6.922 1.00 0.00 H new ATOM 0 HB3 LYS B 42 16.234 -2.811 8.555 1.00 0.00 H new ATOM 0 HG2 LYS B 42 14.885 -0.842 9.287 1.00 0.00 H new ATOM 0 HG3 LYS B 42 14.260 -0.680 7.658 1.00 0.00 H new ATOM 0 HD2 LYS B 42 13.297 -2.972 7.796 1.00 0.00 H new ATOM 0 HD3 LYS B 42 13.930 -3.142 9.422 1.00 0.00 H new ATOM 0 HE2 LYS B 42 12.560 -1.206 10.166 1.00 0.00 H new ATOM 0 HE3 LYS B 42 11.939 -1.013 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 10.397 -2.237 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 10.969 -3.234 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 11.571 -3.421 10.252 1.00 0.00 H new ATOM 2182 N CYS B 43 19.319 -1.506 8.212 1.00 0.00 N ATOM 2183 CA CYS B 43 20.624 -2.158 8.151 1.00 0.00 C ATOM 2184 C CYS B 43 21.198 -2.361 9.550 1.00 0.00 C ATOM 2185 O CYS B 43 21.918 -1.461 10.031 1.00 0.00 O ATOM 2186 CB CYS B 43 21.592 -1.329 7.303 1.00 0.00 C ATOM 2187 SG CYS B 43 21.052 -1.079 5.596 1.00 0.00 S ATOM 2188 OXT CYS B 43 20.922 -3.419 10.153 1.00 0.00 O ATOM 0 H CYS B 43 19.238 -0.790 8.934 1.00 0.00 H new ATOM 0 HA CYS B 43 20.493 -3.136 7.688 1.00 0.00 H new ATOM 0 HB2 CYS B 43 21.730 -0.356 7.775 1.00 0.00 H new ATOM 0 HB3 CYS B 43 22.565 -1.821 7.296 1.00 0.00 H new ATOM 0 HG CYS B 43 19.906 -1.666 5.413 1.00 0.00 H new TER 2194 CYS B 43