USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1100 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 36 ALY H2 : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD NoAdj-H: B 36 ALY H : B 36 ALY N : B 35 VAL C :(H bumps) USER MOD Set 1.1: A 744 SER OG : rot -40:sc= -0.267 USER MOD Set 1.2: A 812 CYS SG : rot 97:sc= -0.085 USER MOD Set 2.1: A 803 ASN :FLIP amide:sc= -12.9! C(o=-15!,f=-13!) USER MOD Set 2.2: A 807 SER OG : rot -160:sc= -0.55 USER MOD Set 3.1: A 798 ASN : amide:sc= -7.62! C(o=-18!,f=-20!) USER MOD Set 3.2: A 799 CYS SG : rot -147:sc= -10.4! USER MOD Set 4.1: A 789 MET CE :methyl -146:sc= -10.5! (180deg=-11.7!) USER MOD Set 4.2: A 793 GLN :FLIP amide:sc= -3.67 F(o=-20!,f=-15) USER MOD Set 4.3: A 832 LYS NZ :NH3+ -127:sc= -0.79 (180deg=-0.178) USER MOD Set 5.1: A 785 LYS NZ :NH3+ -127:sc= -0.49 (180deg=-0.123) USER MOD Set 5.2: A 786 LYS NZ :NH3+ 155:sc= -0.2 (180deg=-0.409) USER MOD Set 6.1: A 773 MET CE :methyl -115:sc= -11.2! (180deg=-12.5!) USER MOD Set 6.2: A 782 TYR OH : rot -35:sc= -7.33! USER MOD Set 7.1: A 729 TYR OH : rot 180:sc= 0.151 USER MOD Set 7.2: A 733 LYS NZ :NH3+ -161:sc= 0.151 (180deg=0) USER MOD Set 8.1: A 719 SER OG : rot 160:sc=-0.000803 USER MOD Set 8.2: A 825 LYS NZ :NH3+ -161:sc= -0.595 (180deg=-0.906) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 717 HIS : no HD1:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 718 MET CE :methyl -164:sc= -0.0864 (180deg=-0.495) USER MOD Single : A 720 LYS NZ :NH3+ 163:sc= -0.33 (180deg=-0.935) USER MOD Single : A 727 GLN :FLIP amide:sc= -0.793 F(o=-3.2!,f=-0.79) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 734 SER OG : rot 180:sc= 0 USER MOD Single : A 737 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 738 GLN :FLIP amide:sc= -1.55 F(o=-5.6!,f=-1.6) USER MOD Single : A 740 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000666) USER MOD Single : A 741 SER OG : rot -25:sc= 0.645 USER MOD Single : A 742 HIS : no HD1:sc= -10.6! C(o=-11!,f=-20!) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 MET CE :methyl -111:sc= -4.41! (180deg=-9.63!) USER MOD Single : A 753 LYS NZ :NH3+ -164:sc= -0.0217 (180deg=-0.254) USER MOD Single : A 755 THR OG1 : rot 180:sc=-0.00775 USER MOD Single : A 760 TYR OH : rot 165:sc= -1.78! USER MOD Single : A 761 TYR OH : rot 180:sc= 0 USER MOD Single : A 768 MET CE :methyl 135:sc= -2.8 (180deg=-5.34!) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 772 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 774 SER OG : rot -24:sc= -0.288 USER MOD Single : A 778 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0837) USER MOD Single : A 779 ASN :FLIP amide:sc= -4! C(o=-7.4!,f=-4!) USER MOD Single : A 781 TYR OH : rot 180:sc= -1.06! USER MOD Single : A 784 SER OG : rot 47:sc= 0.0758 USER MOD Single : A 797 THR OG1 : rot -59:sc= 1.27 USER MOD Single : A 800 LYS NZ :NH3+ -160:sc= -2.94 (180deg=-3.41!) USER MOD Single : A 802 TYR OH : rot 62:sc= -0.439 USER MOD Single : A 809 TYR OH : rot -176:sc= -0.734 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 814 ASN :FLIP amide:sc= -0.14 F(o=-1.4!,f=-0.14) USER MOD Single : A 818 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 SER OG : rot 180:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ -174:sc= -2.6! (180deg=-2.92!) USER MOD Single : B 31 SER OG : rot 30:sc= 0.0556 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-4.6!) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 164:sc= -0.0648 (180deg=-0.395) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 715 -24.339 11.603 11.976 1.00 0.00 N ATOM 2 CA GLY A 715 -25.302 10.817 11.156 1.00 0.00 C ATOM 3 C GLY A 715 -25.398 11.324 9.730 1.00 0.00 C ATOM 4 O GLY A 715 -25.951 10.651 8.861 1.00 0.00 O ATOM 0 HA2 GLY A 715 -24.997 9.771 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -26.287 10.858 11.620 1.00 0.00 H new ATOM 10 N SER A 716 -24.855 12.514 9.490 1.00 0.00 N ATOM 11 CA SER A 716 -24.881 13.114 8.161 1.00 0.00 C ATOM 12 C SER A 716 -23.542 12.927 7.451 1.00 0.00 C ATOM 13 O SER A 716 -23.117 13.781 6.672 1.00 0.00 O ATOM 14 CB SER A 716 -25.217 14.603 8.258 1.00 0.00 C ATOM 15 OG SER A 716 -24.264 15.291 9.050 1.00 0.00 O ATOM 0 H SER A 716 -24.391 13.082 10.199 1.00 0.00 H new ATOM 0 HA SER A 716 -25.653 12.611 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 716 -25.246 15.038 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 716 -26.210 14.727 8.689 1.00 0.00 H new ATOM 0 HG SER A 716 -24.501 16.241 9.095 1.00 0.00 H new ATOM 21 N HIS A 717 -22.885 11.805 7.726 1.00 0.00 N ATOM 22 CA HIS A 717 -21.594 11.506 7.115 1.00 0.00 C ATOM 23 C HIS A 717 -21.691 10.286 6.204 1.00 0.00 C ATOM 24 O HIS A 717 -21.603 9.148 6.664 1.00 0.00 O ATOM 25 CB HIS A 717 -20.539 11.266 8.197 1.00 0.00 C ATOM 26 CG HIS A 717 -20.333 12.441 9.102 1.00 0.00 C ATOM 27 ND1 HIS A 717 -19.200 13.228 9.068 1.00 0.00 N ATOM 28 CD2 HIS A 717 -21.121 12.961 10.072 1.00 0.00 C ATOM 29 CE1 HIS A 717 -19.301 14.181 9.979 1.00 0.00 C ATOM 30 NE2 HIS A 717 -20.456 14.041 10.600 1.00 0.00 N ATOM 0 H HIS A 717 -23.225 11.088 8.367 1.00 0.00 H new ATOM 0 HA HIS A 717 -21.299 12.364 6.511 1.00 0.00 H new ATOM 0 HB2 HIS A 717 -20.833 10.404 8.795 1.00 0.00 H new ATOM 0 HB3 HIS A 717 -19.592 11.014 7.720 1.00 0.00 H new ATOM 0 HD2 HIS A 717 -22.091 12.595 10.374 1.00 0.00 H new ATOM 0 HE1 HIS A 717 -18.563 14.944 10.180 1.00 0.00 H new ATOM 0 HE2 HIS A 717 -20.800 14.639 11.352 1.00 0.00 H new ATOM 39 N MET A 718 -21.874 10.532 4.910 1.00 0.00 N ATOM 40 CA MET A 718 -21.982 9.453 3.934 1.00 0.00 C ATOM 41 C MET A 718 -20.980 9.645 2.799 1.00 0.00 C ATOM 42 O MET A 718 -20.781 10.759 2.316 1.00 0.00 O ATOM 43 CB MET A 718 -23.404 9.386 3.372 1.00 0.00 C ATOM 44 CG MET A 718 -24.472 9.214 4.439 1.00 0.00 C ATOM 45 SD MET A 718 -24.229 7.729 5.435 1.00 0.00 S ATOM 46 CE MET A 718 -24.378 6.454 4.188 1.00 0.00 C ATOM 0 H MET A 718 -21.951 11.469 4.513 1.00 0.00 H new ATOM 0 HA MET A 718 -21.755 8.514 4.439 1.00 0.00 H new ATOM 0 HB2 MET A 718 -23.607 10.298 2.810 1.00 0.00 H new ATOM 0 HB3 MET A 718 -23.469 8.557 2.668 1.00 0.00 H new ATOM 0 HG2 MET A 718 -24.472 10.088 5.091 1.00 0.00 H new ATOM 0 HG3 MET A 718 -25.452 9.171 3.963 1.00 0.00 H new ATOM 0 HE1 MET A 718 -24.536 5.490 4.671 1.00 0.00 H new ATOM 0 HE2 MET A 718 -25.224 6.677 3.538 1.00 0.00 H new ATOM 0 HE3 MET A 718 -23.465 6.417 3.594 1.00 0.00 H new ATOM 56 N SER A 719 -20.351 8.550 2.381 1.00 0.00 N ATOM 57 CA SER A 719 -19.366 8.598 1.305 1.00 0.00 C ATOM 58 C SER A 719 -19.367 7.299 0.504 1.00 0.00 C ATOM 59 O SER A 719 -18.406 7.000 -0.207 1.00 0.00 O ATOM 60 CB SER A 719 -17.972 8.859 1.876 1.00 0.00 C ATOM 61 OG SER A 719 -17.927 10.094 2.570 1.00 0.00 O ATOM 0 H SER A 719 -20.506 7.620 2.770 1.00 0.00 H new ATOM 0 HA SER A 719 -19.636 9.414 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 719 -17.695 8.049 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 719 -17.240 8.866 1.068 1.00 0.00 H new ATOM 0 HG SER A 719 -17.162 10.098 3.182 1.00 0.00 H new ATOM 67 N LYS A 720 -20.447 6.528 0.639 1.00 0.00 N ATOM 68 CA LYS A 720 -20.600 5.263 -0.064 1.00 0.00 C ATOM 69 C LYS A 720 -19.686 4.214 0.540 1.00 0.00 C ATOM 70 O LYS A 720 -18.695 4.545 1.191 1.00 0.00 O ATOM 71 CB LYS A 720 -20.314 5.420 -1.553 1.00 0.00 C ATOM 72 CG LYS A 720 -20.921 4.321 -2.411 1.00 0.00 C ATOM 73 CD LYS A 720 -20.485 4.440 -3.864 1.00 0.00 C ATOM 74 CE LYS A 720 -19.018 4.079 -4.038 1.00 0.00 C ATOM 75 NZ LYS A 720 -18.735 2.685 -3.599 1.00 0.00 N ATOM 0 H LYS A 720 -21.237 6.766 1.239 1.00 0.00 H new ATOM 0 HA LYS A 720 -21.635 4.939 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -20.697 6.384 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -19.235 5.435 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -20.624 3.348 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -22.008 4.371 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -21.098 3.785 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -20.654 5.459 -4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -18.737 4.194 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -18.403 4.772 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -17.821 2.377 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -18.699 2.649 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -19.487 2.054 -3.942 1.00 0.00 H new ATOM 89 N GLU A 721 -20.025 2.952 0.335 1.00 0.00 N ATOM 90 CA GLU A 721 -19.227 1.864 0.869 1.00 0.00 C ATOM 91 C GLU A 721 -19.644 0.527 0.261 1.00 0.00 C ATOM 92 O GLU A 721 -20.714 -0.002 0.564 1.00 0.00 O ATOM 93 CB GLU A 721 -19.356 1.810 2.393 1.00 0.00 C ATOM 94 CG GLU A 721 -18.525 0.714 3.038 1.00 0.00 C ATOM 95 CD GLU A 721 -18.671 0.683 4.547 1.00 0.00 C ATOM 96 OE1 GLU A 721 -19.573 -0.023 5.043 1.00 0.00 O ATOM 97 OE2 GLU A 721 -17.883 1.367 5.235 1.00 0.00 O ATOM 0 H GLU A 721 -20.845 2.657 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 721 -18.186 2.049 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -19.057 2.772 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -20.404 1.661 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -18.822 -0.251 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -17.476 0.860 2.781 1.00 0.00 H new ATOM 104 N PRO A 722 -18.789 -0.026 -0.610 1.00 0.00 N ATOM 105 CA PRO A 722 -19.017 -1.310 -1.285 1.00 0.00 C ATOM 106 C PRO A 722 -19.314 -2.433 -0.294 1.00 0.00 C ATOM 107 O PRO A 722 -20.286 -3.169 -0.448 1.00 0.00 O ATOM 108 CB PRO A 722 -17.677 -1.523 -1.982 1.00 0.00 C ATOM 109 CG PRO A 722 -17.257 -0.155 -2.282 1.00 0.00 C ATOM 110 CD PRO A 722 -17.506 0.549 -1.025 1.00 0.00 C ATOM 0 HA PRO A 722 -19.878 -1.309 -1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 722 -16.962 -2.036 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 722 -17.780 -2.123 -2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 722 -16.206 -0.109 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 722 -17.831 0.272 -3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 722 -16.720 0.368 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 722 -17.568 1.628 -1.166 1.00 0.00 H new ATOM 118 N ARG A 723 -18.459 -2.544 0.728 1.00 0.00 N ATOM 119 CA ARG A 723 -18.604 -3.550 1.784 1.00 0.00 C ATOM 120 C ARG A 723 -18.414 -4.976 1.275 1.00 0.00 C ATOM 121 O ARG A 723 -17.444 -5.642 1.635 1.00 0.00 O ATOM 122 CB ARG A 723 -19.960 -3.423 2.469 1.00 0.00 C ATOM 123 CG ARG A 723 -19.982 -4.089 3.830 1.00 0.00 C ATOM 124 CD ARG A 723 -19.115 -3.339 4.828 1.00 0.00 C ATOM 125 NE ARG A 723 -19.091 -3.994 6.133 1.00 0.00 N ATOM 126 CZ ARG A 723 -18.922 -3.346 7.282 1.00 0.00 C ATOM 127 NH1 ARG A 723 -18.773 -2.027 7.289 1.00 0.00 N ATOM 128 NH2 ARG A 723 -18.904 -4.017 8.425 1.00 0.00 N ATOM 0 H ARG A 723 -17.647 -1.938 0.846 1.00 0.00 H new ATOM 0 HA ARG A 723 -17.810 -3.354 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 723 -20.211 -2.368 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 723 -20.727 -3.869 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 723 -21.007 -4.134 4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 723 -19.630 -5.117 3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 723 -18.099 -3.264 4.441 1.00 0.00 H new ATOM 0 HD3 ARG A 723 -19.489 -2.321 4.940 1.00 0.00 H new ATOM 0 HE ARG A 723 -19.211 -5.006 6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 723 -18.788 -1.507 6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 723 -18.644 -1.533 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 723 -19.020 -5.030 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 723 -18.774 -3.520 9.306 1.00 0.00 H new ATOM 142 N ASP A 724 -19.353 -5.449 0.462 1.00 0.00 N ATOM 143 CA ASP A 724 -19.291 -6.800 -0.087 1.00 0.00 C ATOM 144 C ASP A 724 -17.892 -7.135 -0.607 1.00 0.00 C ATOM 145 O ASP A 724 -17.115 -6.244 -0.946 1.00 0.00 O ATOM 146 CB ASP A 724 -20.312 -6.957 -1.208 1.00 0.00 C ATOM 147 CG ASP A 724 -21.725 -7.124 -0.688 1.00 0.00 C ATOM 148 OD1 ASP A 724 -22.126 -8.276 -0.418 1.00 0.00 O ATOM 149 OD2 ASP A 724 -22.431 -6.103 -0.549 1.00 0.00 O ATOM 0 H ASP A 724 -20.170 -4.914 0.167 1.00 0.00 H new ATOM 0 HA ASP A 724 -19.524 -7.496 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -20.269 -6.084 -1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -20.048 -7.822 -1.817 1.00 0.00 H new ATOM 154 N PRO A 725 -17.566 -8.438 -0.682 1.00 0.00 N ATOM 155 CA PRO A 725 -16.268 -8.913 -1.137 1.00 0.00 C ATOM 156 C PRO A 725 -16.146 -8.867 -2.651 1.00 0.00 C ATOM 157 O PRO A 725 -15.044 -8.828 -3.192 1.00 0.00 O ATOM 158 CB PRO A 725 -16.201 -10.362 -0.625 1.00 0.00 C ATOM 159 CG PRO A 725 -17.478 -10.599 0.115 1.00 0.00 C ATOM 160 CD PRO A 725 -18.446 -9.553 -0.360 1.00 0.00 C ATOM 0 HA PRO A 725 -15.453 -8.292 -0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -16.094 -11.063 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -15.340 -10.505 0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -17.861 -11.600 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -17.323 -10.524 1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -19.012 -9.888 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -19.171 -9.290 0.411 1.00 0.00 H new ATOM 168 N ASP A 726 -17.292 -8.883 -3.326 1.00 0.00 N ATOM 169 CA ASP A 726 -17.328 -8.821 -4.778 1.00 0.00 C ATOM 170 C ASP A 726 -17.462 -7.370 -5.190 1.00 0.00 C ATOM 171 O ASP A 726 -16.878 -6.930 -6.181 1.00 0.00 O ATOM 172 CB ASP A 726 -18.492 -9.647 -5.328 1.00 0.00 C ATOM 173 CG ASP A 726 -18.313 -11.132 -5.081 1.00 0.00 C ATOM 174 OD1 ASP A 726 -18.634 -11.592 -3.965 1.00 0.00 O ATOM 175 OD2 ASP A 726 -17.847 -11.835 -6.002 1.00 0.00 O ATOM 0 H ASP A 726 -18.210 -8.939 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 726 -16.409 -9.240 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -19.421 -9.314 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -18.587 -9.468 -6.399 1.00 0.00 H new ATOM 180 N GLN A 727 -18.246 -6.633 -4.410 1.00 0.00 N ATOM 181 CA GLN A 727 -18.432 -5.216 -4.646 1.00 0.00 C ATOM 182 C GLN A 727 -17.082 -4.536 -4.539 1.00 0.00 C ATOM 183 O GLN A 727 -16.695 -3.757 -5.401 1.00 0.00 O ATOM 184 CB GLN A 727 -19.417 -4.636 -3.635 1.00 0.00 C ATOM 185 CG GLN A 727 -20.859 -4.977 -3.959 1.00 0.00 C ATOM 186 CD GLN A 727 -21.858 -4.169 -3.152 1.00 0.00 C ATOM 187 OE1 GLN A 727 -21.507 -2.926 -2.842 1.00 0.00 O flip ATOM 188 NE2 GLN A 727 -22.939 -4.654 -2.817 1.00 0.00 N flip ATOM 0 H GLN A 727 -18.761 -6.999 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.847 -5.050 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -19.174 -5.011 -2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -19.303 -3.552 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -21.036 -4.807 -5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -21.025 -6.038 -3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -23.170 -5.613 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -23.604 -4.096 -2.281 1.00 0.00 H new ATOM 197 N LEU A 728 -16.361 -4.880 -3.475 1.00 0.00 N ATOM 198 CA LEU A 728 -15.030 -4.353 -3.228 1.00 0.00 C ATOM 199 C LEU A 728 -14.060 -4.930 -4.234 1.00 0.00 C ATOM 200 O LEU A 728 -13.369 -4.198 -4.917 1.00 0.00 O ATOM 201 CB LEU A 728 -14.609 -4.697 -1.813 1.00 0.00 C ATOM 202 CG LEU A 728 -15.225 -3.792 -0.767 1.00 0.00 C ATOM 203 CD1 LEU A 728 -14.990 -4.338 0.626 1.00 0.00 C ATOM 204 CD2 LEU A 728 -14.662 -2.401 -0.915 1.00 0.00 C ATOM 0 H LEU A 728 -16.687 -5.532 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.033 -3.269 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -14.887 -5.729 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -13.523 -4.638 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 728 -16.304 -3.751 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -15.442 -3.670 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -15.440 -5.327 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -13.919 -4.410 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -15.104 -1.748 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -13.581 -2.430 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -14.894 -2.019 -1.909 1.00 0.00 H new ATOM 216 N TYR A 729 -14.044 -6.245 -4.357 1.00 0.00 N ATOM 217 CA TYR A 729 -13.155 -6.893 -5.303 1.00 0.00 C ATOM 218 C TYR A 729 -13.020 -6.067 -6.558 1.00 0.00 C ATOM 219 O TYR A 729 -11.940 -5.566 -6.850 1.00 0.00 O ATOM 220 CB TYR A 729 -13.707 -8.272 -5.652 1.00 0.00 C ATOM 221 CG TYR A 729 -13.442 -8.724 -7.065 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.156 -8.902 -7.471 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.463 -8.995 -7.967 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.840 -9.334 -8.734 1.00 0.00 C ATOM 225 CE2 TYR A 729 -14.173 -9.428 -9.252 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.854 -9.598 -9.632 1.00 0.00 C ATOM 227 OH TYR A 729 -12.553 -10.031 -10.903 1.00 0.00 O ATOM 0 H TYR A 729 -14.632 -6.881 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.170 -6.994 -4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.278 -9.003 -4.966 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -14.784 -8.269 -5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.356 -8.696 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.492 -8.867 -7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.808 -9.466 -9.023 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -14.971 -9.631 -9.951 1.00 0.00 H new ATOM 0 HH TYR A 729 -13.382 -10.171 -11.406 1.00 0.00 H new ATOM 237 N SER A 730 -14.106 -5.861 -7.268 1.00 0.00 N ATOM 238 CA SER A 730 -14.007 -5.101 -8.484 1.00 0.00 C ATOM 239 C SER A 730 -14.079 -3.601 -8.262 1.00 0.00 C ATOM 240 O SER A 730 -13.693 -2.830 -9.142 1.00 0.00 O ATOM 241 CB SER A 730 -14.934 -5.601 -9.562 1.00 0.00 C ATOM 242 OG SER A 730 -15.536 -4.533 -10.273 1.00 0.00 O ATOM 0 H SER A 730 -15.039 -6.199 -7.032 1.00 0.00 H new ATOM 0 HA SER A 730 -13.001 -5.277 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.379 -6.232 -10.255 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.709 -6.223 -9.115 1.00 0.00 H new ATOM 0 HG SER A 730 -16.129 -4.894 -10.965 1.00 0.00 H new ATOM 248 N THR A 731 -14.575 -3.168 -7.105 1.00 0.00 N ATOM 249 CA THR A 731 -14.588 -1.741 -6.824 1.00 0.00 C ATOM 250 C THR A 731 -13.152 -1.347 -6.819 1.00 0.00 C ATOM 251 O THR A 731 -12.676 -0.561 -7.634 1.00 0.00 O ATOM 252 CB THR A 731 -15.197 -1.405 -5.447 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.618 -1.270 -5.558 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.608 -0.118 -4.874 1.00 0.00 C ATOM 0 H THR A 731 -14.960 -3.764 -6.372 1.00 0.00 H new ATOM 0 HA THR A 731 -15.196 -1.217 -7.562 1.00 0.00 H new ATOM 0 HB THR A 731 -14.956 -2.224 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 731 -17.035 -2.156 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 731 -15.060 0.088 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.530 -0.232 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.813 0.710 -5.553 1.00 0.00 H new ATOM 262 N LEU A 732 -12.485 -1.986 -5.894 1.00 0.00 N ATOM 263 CA LEU A 732 -11.080 -1.863 -5.693 1.00 0.00 C ATOM 264 C LEU A 732 -10.345 -2.217 -6.976 1.00 0.00 C ATOM 265 O LEU A 732 -9.288 -1.668 -7.265 1.00 0.00 O ATOM 266 CB LEU A 732 -10.673 -2.816 -4.596 1.00 0.00 C ATOM 267 CG LEU A 732 -11.565 -2.887 -3.358 1.00 0.00 C ATOM 268 CD1 LEU A 732 -11.385 -4.224 -2.705 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.219 -1.796 -2.386 1.00 0.00 C ATOM 0 H LEU A 732 -12.930 -2.629 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.829 -0.839 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.612 -3.816 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -9.668 -2.546 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 732 -12.604 -2.755 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -12.018 -4.285 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -11.664 -5.011 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -10.342 -4.350 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -11.868 -1.867 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -10.180 -1.902 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.358 -0.826 -2.863 1.00 0.00 H new ATOM 281 N LYS A 733 -10.911 -3.150 -7.749 1.00 0.00 N ATOM 282 CA LYS A 733 -10.295 -3.554 -9.010 1.00 0.00 C ATOM 283 C LYS A 733 -10.085 -2.325 -9.860 1.00 0.00 C ATOM 284 O LYS A 733 -9.169 -2.261 -10.669 1.00 0.00 O ATOM 285 CB LYS A 733 -11.167 -4.576 -9.750 1.00 0.00 C ATOM 286 CG LYS A 733 -10.596 -5.051 -11.072 1.00 0.00 C ATOM 287 CD LYS A 733 -11.025 -6.473 -11.392 1.00 0.00 C ATOM 288 CE LYS A 733 -12.490 -6.552 -11.755 1.00 0.00 C ATOM 289 NZ LYS A 733 -12.745 -7.536 -12.842 1.00 0.00 N ATOM 0 H LYS A 733 -11.782 -3.632 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 733 -9.337 -4.032 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -11.320 -5.440 -9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -12.148 -4.135 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -10.923 -4.384 -11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.508 -4.998 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -10.425 -6.856 -12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -10.829 -7.113 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -13.067 -6.829 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -12.839 -5.568 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -13.668 -7.339 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -11.998 -7.460 -13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -12.747 -8.498 -12.446 1.00 0.00 H new ATOM 303 N SER A 734 -10.928 -1.331 -9.623 1.00 0.00 N ATOM 304 CA SER A 734 -10.858 -0.076 -10.356 1.00 0.00 C ATOM 305 C SER A 734 -9.888 0.859 -9.666 1.00 0.00 C ATOM 306 O SER A 734 -9.012 1.427 -10.317 1.00 0.00 O ATOM 307 CB SER A 734 -12.239 0.572 -10.467 1.00 0.00 C ATOM 308 OG SER A 734 -12.184 1.758 -11.242 1.00 0.00 O ATOM 0 H SER A 734 -11.671 -1.370 -8.926 1.00 0.00 H new ATOM 0 HA SER A 734 -10.505 -0.280 -11.367 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.939 -0.130 -10.920 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.618 0.802 -9.471 1.00 0.00 H new ATOM 0 HG SER A 734 -13.079 2.153 -11.300 1.00 0.00 H new ATOM 314 N ILE A 735 -10.046 1.040 -8.348 1.00 0.00 N ATOM 315 CA ILE A 735 -9.121 1.882 -7.621 1.00 0.00 C ATOM 316 C ILE A 735 -7.730 1.408 -7.954 1.00 0.00 C ATOM 317 O ILE A 735 -6.971 2.115 -8.593 1.00 0.00 O ATOM 318 CB ILE A 735 -9.351 1.862 -6.099 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.743 2.388 -5.817 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.316 2.744 -5.392 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.799 1.341 -5.855 1.00 0.00 C ATOM 0 H ILE A 735 -10.788 0.622 -7.787 1.00 0.00 H new ATOM 0 HA ILE A 735 -9.274 2.918 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.248 0.843 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.750 2.863 -4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -10.984 3.161 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.491 2.720 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.314 2.371 -5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.405 3.769 -5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.768 1.794 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.821 0.882 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.583 0.579 -5.106 1.00 0.00 H new ATOM 333 N LEU A 736 -7.438 0.168 -7.580 1.00 0.00 N ATOM 334 CA LEU A 736 -6.154 -0.442 -7.879 1.00 0.00 C ATOM 335 C LEU A 736 -5.747 -0.111 -9.296 1.00 0.00 C ATOM 336 O LEU A 736 -4.712 0.492 -9.532 1.00 0.00 O ATOM 337 CB LEU A 736 -6.244 -1.958 -7.727 1.00 0.00 C ATOM 338 CG LEU A 736 -5.198 -2.568 -6.826 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.437 -4.038 -6.765 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.803 -2.228 -7.285 1.00 0.00 C ATOM 0 H LEU A 736 -8.080 -0.436 -7.066 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.412 -0.052 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -7.230 -2.212 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -6.163 -2.413 -8.714 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.282 -2.152 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -4.692 -4.501 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.433 -4.228 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.361 -4.461 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.077 -2.684 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.650 -2.607 -8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.672 -1.146 -7.280 1.00 0.00 H new ATOM 352 N GLN A 737 -6.589 -0.521 -10.228 1.00 0.00 N ATOM 353 CA GLN A 737 -6.367 -0.271 -11.649 1.00 0.00 C ATOM 354 C GLN A 737 -5.929 1.169 -11.902 1.00 0.00 C ATOM 355 O GLN A 737 -5.104 1.440 -12.774 1.00 0.00 O ATOM 356 CB GLN A 737 -7.657 -0.563 -12.419 1.00 0.00 C ATOM 357 CG GLN A 737 -7.683 -1.926 -13.079 1.00 0.00 C ATOM 358 CD GLN A 737 -8.544 -1.958 -14.326 1.00 0.00 C ATOM 359 OE1 GLN A 737 -9.742 -2.235 -14.261 1.00 0.00 O ATOM 360 NE2 GLN A 737 -7.934 -1.675 -15.471 1.00 0.00 N ATOM 0 H GLN A 737 -7.446 -1.036 -10.026 1.00 0.00 H new ATOM 0 HA GLN A 737 -5.568 -0.927 -11.993 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -8.502 -0.485 -11.735 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -7.794 0.202 -13.183 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -6.665 -2.219 -13.338 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -8.055 -2.663 -12.367 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -6.939 -1.451 -15.477 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -8.461 -1.682 -16.345 1.00 0.00 H new ATOM 369 N GLN A 738 -6.476 2.076 -11.113 1.00 0.00 N ATOM 370 CA GLN A 738 -6.188 3.500 -11.237 1.00 0.00 C ATOM 371 C GLN A 738 -4.875 3.888 -10.551 1.00 0.00 C ATOM 372 O GLN A 738 -3.971 4.436 -11.183 1.00 0.00 O ATOM 373 CB GLN A 738 -7.351 4.294 -10.642 1.00 0.00 C ATOM 374 CG GLN A 738 -8.603 4.231 -11.497 1.00 0.00 C ATOM 375 CD GLN A 738 -9.834 4.759 -10.784 1.00 0.00 C ATOM 376 OE1 GLN A 738 -9.893 4.560 -9.473 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -10.729 5.331 -11.409 1.00 0.00 N flip ATOM 0 H GLN A 738 -7.133 1.850 -10.367 1.00 0.00 H new ATOM 0 HA GLN A 738 -6.072 3.734 -12.295 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -7.576 3.910 -9.647 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -7.051 5.335 -10.521 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -8.443 4.806 -12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.779 3.198 -11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -10.643 5.463 -12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -11.556 5.672 -10.919 1.00 0.00 H new ATOM 386 N VAL A 739 -4.785 3.603 -9.256 1.00 0.00 N ATOM 387 CA VAL A 739 -3.616 3.901 -8.466 1.00 0.00 C ATOM 388 C VAL A 739 -2.406 3.254 -9.104 1.00 0.00 C ATOM 389 O VAL A 739 -1.295 3.748 -9.004 1.00 0.00 O ATOM 390 CB VAL A 739 -3.778 3.351 -7.022 1.00 0.00 C ATOM 391 CG1 VAL A 739 -5.221 3.061 -6.672 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.920 2.128 -6.835 1.00 0.00 C ATOM 0 H VAL A 739 -5.534 3.154 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.490 4.983 -8.422 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.443 4.129 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.278 2.679 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.806 3.978 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.620 2.317 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -3.041 1.750 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -3.222 1.359 -7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.875 2.388 -7.003 1.00 0.00 H new ATOM 402 N LYS A 740 -2.663 2.132 -9.752 1.00 0.00 N ATOM 403 CA LYS A 740 -1.640 1.359 -10.417 1.00 0.00 C ATOM 404 C LYS A 740 -1.337 1.964 -11.767 1.00 0.00 C ATOM 405 O LYS A 740 -0.204 1.921 -12.238 1.00 0.00 O ATOM 406 CB LYS A 740 -2.117 -0.081 -10.549 1.00 0.00 C ATOM 407 CG LYS A 740 -1.356 -0.917 -11.564 1.00 0.00 C ATOM 408 CD LYS A 740 -2.317 -1.624 -12.508 1.00 0.00 C ATOM 409 CE LYS A 740 -3.037 -2.772 -11.817 1.00 0.00 C ATOM 410 NZ LYS A 740 -3.908 -3.530 -12.759 1.00 0.00 N ATOM 0 H LYS A 740 -3.598 1.732 -9.830 1.00 0.00 H new ATOM 0 HA LYS A 740 -0.719 1.370 -9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -2.043 -0.563 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -3.172 -0.075 -10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -0.681 -0.279 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -0.739 -1.652 -11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -3.049 -0.910 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -1.768 -2.004 -13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -2.304 -3.448 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -3.641 -2.381 -10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -4.394 -4.293 -12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -4.613 -2.888 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -3.326 -3.939 -13.517 1.00 0.00 H new ATOM 424 N SER A 741 -2.360 2.518 -12.396 1.00 0.00 N ATOM 425 CA SER A 741 -2.173 3.169 -13.672 1.00 0.00 C ATOM 426 C SER A 741 -1.582 4.544 -13.432 1.00 0.00 C ATOM 427 O SER A 741 -1.300 5.292 -14.369 1.00 0.00 O ATOM 428 CB SER A 741 -3.492 3.283 -14.427 1.00 0.00 C ATOM 429 OG SER A 741 -4.357 4.220 -13.811 1.00 0.00 O ATOM 0 H SER A 741 -3.318 2.528 -12.045 1.00 0.00 H new ATOM 0 HA SER A 741 -1.495 2.574 -14.284 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.299 3.584 -15.457 1.00 0.00 H new ATOM 0 HB3 SER A 741 -3.977 2.308 -14.466 1.00 0.00 H new ATOM 0 HG SER A 741 -4.128 4.302 -12.862 1.00 0.00 H new ATOM 435 N HIS A 742 -1.402 4.864 -12.154 1.00 0.00 N ATOM 436 CA HIS A 742 -0.847 6.142 -11.760 1.00 0.00 C ATOM 437 C HIS A 742 0.606 6.257 -12.217 1.00 0.00 C ATOM 438 O HIS A 742 1.360 5.289 -12.195 1.00 0.00 O ATOM 439 CB HIS A 742 -0.971 6.346 -10.235 1.00 0.00 C ATOM 440 CG HIS A 742 -0.615 7.728 -9.795 1.00 0.00 C ATOM 441 ND1 HIS A 742 0.381 8.475 -10.377 1.00 0.00 N ATOM 442 CD2 HIS A 742 -1.137 8.502 -8.829 1.00 0.00 C ATOM 443 CE1 HIS A 742 0.458 9.643 -9.788 1.00 0.00 C ATOM 444 NE2 HIS A 742 -0.456 9.692 -8.842 1.00 0.00 N ATOM 0 H HIS A 742 -1.636 4.248 -11.375 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.418 6.932 -12.248 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.993 6.126 -9.928 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.324 5.632 -9.726 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -1.945 8.236 -8.164 1.00 0.00 H new ATOM 0 HE1 HIS A 742 1.153 10.431 -10.036 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -0.629 10.483 -8.222 1.00 0.00 H new ATOM 453 N GLN A 743 0.964 7.447 -12.670 1.00 0.00 N ATOM 454 CA GLN A 743 2.307 7.749 -13.138 1.00 0.00 C ATOM 455 C GLN A 743 3.342 7.557 -12.039 1.00 0.00 C ATOM 456 O GLN A 743 4.545 7.572 -12.287 1.00 0.00 O ATOM 457 CB GLN A 743 2.315 9.182 -13.606 1.00 0.00 C ATOM 458 CG GLN A 743 3.484 9.507 -14.499 1.00 0.00 C ATOM 459 CD GLN A 743 3.568 10.980 -14.846 1.00 0.00 C ATOM 460 OE1 GLN A 743 2.997 11.431 -15.839 1.00 0.00 O ATOM 461 NE2 GLN A 743 4.285 11.741 -14.026 1.00 0.00 N ATOM 0 H GLN A 743 0.324 8.239 -12.724 1.00 0.00 H new ATOM 0 HA GLN A 743 2.570 7.068 -13.948 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.388 9.388 -14.142 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.335 9.841 -12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.407 9.201 -14.007 1.00 0.00 H new ATOM 0 HG3 GLN A 743 3.406 8.926 -15.418 1.00 0.00 H new ATOM 0 HE21 GLN A 743 4.742 11.326 -13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 743 4.378 12.740 -14.209 1.00 0.00 H new ATOM 470 N SER A 744 2.849 7.415 -10.827 1.00 0.00 N ATOM 471 CA SER A 744 3.689 7.201 -9.650 1.00 0.00 C ATOM 472 C SER A 744 3.574 5.769 -9.186 1.00 0.00 C ATOM 473 O SER A 744 4.049 5.400 -8.113 1.00 0.00 O ATOM 474 CB SER A 744 3.261 8.136 -8.519 1.00 0.00 C ATOM 475 OG SER A 744 3.922 9.385 -8.611 1.00 0.00 O ATOM 0 H SER A 744 1.850 7.444 -10.621 1.00 0.00 H new ATOM 0 HA SER A 744 4.724 7.413 -9.919 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.182 8.288 -8.558 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.483 7.674 -7.557 1.00 0.00 H new ATOM 0 HG SER A 744 4.858 9.242 -8.865 1.00 0.00 H new ATOM 481 N ALA A 745 2.934 4.973 -10.007 1.00 0.00 N ATOM 482 CA ALA A 745 2.705 3.587 -9.685 1.00 0.00 C ATOM 483 C ALA A 745 3.666 2.627 -10.385 1.00 0.00 C ATOM 484 O ALA A 745 3.623 1.437 -10.123 1.00 0.00 O ATOM 485 CB ALA A 745 1.271 3.242 -10.045 1.00 0.00 C ATOM 0 H ALA A 745 2.560 5.265 -10.910 1.00 0.00 H new ATOM 0 HA ALA A 745 2.887 3.464 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.078 2.196 -9.808 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.591 3.874 -9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.113 3.408 -11.111 1.00 0.00 H new ATOM 491 N TRP A 746 4.538 3.125 -11.257 1.00 0.00 N ATOM 492 CA TRP A 746 5.454 2.240 -11.985 1.00 0.00 C ATOM 493 C TRP A 746 6.389 1.425 -11.072 1.00 0.00 C ATOM 494 O TRP A 746 6.730 0.292 -11.415 1.00 0.00 O ATOM 495 CB TRP A 746 6.261 3.014 -13.030 1.00 0.00 C ATOM 496 CG TRP A 746 6.997 4.195 -12.482 1.00 0.00 C ATOM 497 CD1 TRP A 746 6.494 5.443 -12.278 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.366 4.239 -12.068 1.00 0.00 C ATOM 499 NE1 TRP A 746 7.465 6.267 -11.762 1.00 0.00 N ATOM 500 CE2 TRP A 746 8.625 5.550 -11.624 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.395 3.298 -12.028 1.00 0.00 C ATOM 502 CZ2 TRP A 746 9.873 5.941 -11.146 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.635 3.686 -11.554 1.00 0.00 C ATOM 504 CH2 TRP A 746 10.864 4.998 -11.119 1.00 0.00 C ATOM 0 H TRP A 746 4.633 4.116 -11.477 1.00 0.00 H new ATOM 0 HA TRP A 746 4.817 1.516 -12.492 1.00 0.00 H new ATOM 0 HB2 TRP A 746 6.978 2.337 -13.495 1.00 0.00 H new ATOM 0 HB3 TRP A 746 5.586 3.353 -13.816 1.00 0.00 H new ATOM 0 HD1 TRP A 746 5.478 5.742 -12.491 1.00 0.00 H new ATOM 0 HE1 TRP A 746 7.343 7.251 -11.521 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.226 2.285 -12.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 10.052 6.951 -10.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.439 2.966 -11.519 1.00 0.00 H new ATOM 0 HH2 TRP A 746 11.843 5.271 -10.755 1.00 0.00 H new ATOM 515 N PRO A 747 6.825 1.956 -9.908 1.00 0.00 N ATOM 516 CA PRO A 747 7.701 1.214 -8.993 1.00 0.00 C ATOM 517 C PRO A 747 6.920 0.167 -8.234 1.00 0.00 C ATOM 518 O PRO A 747 7.477 -0.794 -7.705 1.00 0.00 O ATOM 519 CB PRO A 747 8.203 2.275 -8.013 1.00 0.00 C ATOM 520 CG PRO A 747 7.658 3.579 -8.480 1.00 0.00 C ATOM 521 CD PRO A 747 6.492 3.277 -9.364 1.00 0.00 C ATOM 0 HA PRO A 747 8.502 0.698 -9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 747 7.867 2.056 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.293 2.297 -7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 747 7.351 4.193 -7.634 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.417 4.142 -9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.556 3.260 -8.806 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.379 4.022 -10.152 1.00 0.00 H new ATOM 529 N PHE A 748 5.613 0.369 -8.202 1.00 0.00 N ATOM 530 CA PHE A 748 4.717 -0.509 -7.480 1.00 0.00 C ATOM 531 C PHE A 748 3.898 -1.355 -8.447 1.00 0.00 C ATOM 532 O PHE A 748 3.307 -2.356 -8.066 1.00 0.00 O ATOM 533 CB PHE A 748 3.800 0.331 -6.581 1.00 0.00 C ATOM 534 CG PHE A 748 4.421 1.598 -6.072 1.00 0.00 C ATOM 535 CD1 PHE A 748 5.764 1.669 -5.839 1.00 0.00 C ATOM 536 CD2 PHE A 748 3.658 2.716 -5.830 1.00 0.00 C ATOM 537 CE1 PHE A 748 6.352 2.819 -5.375 1.00 0.00 C ATOM 538 CE2 PHE A 748 4.250 3.875 -5.358 1.00 0.00 C ATOM 539 CZ PHE A 748 5.592 3.919 -5.132 1.00 0.00 C ATOM 0 H PHE A 748 5.148 1.144 -8.675 1.00 0.00 H new ATOM 0 HA PHE A 748 5.302 -1.188 -6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 748 2.897 0.582 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 748 3.492 -0.276 -5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 748 6.378 0.800 -6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 748 2.593 2.690 -6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 748 7.418 2.850 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 748 3.644 4.749 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 748 6.050 4.824 -4.761 1.00 0.00 H new ATOM 549 N MET A 749 3.884 -0.942 -9.715 1.00 0.00 N ATOM 550 CA MET A 749 3.116 -1.629 -10.753 1.00 0.00 C ATOM 551 C MET A 749 3.322 -3.125 -10.705 1.00 0.00 C ATOM 552 O MET A 749 2.468 -3.900 -11.131 1.00 0.00 O ATOM 553 CB MET A 749 3.471 -1.092 -12.126 1.00 0.00 C ATOM 554 CG MET A 749 2.532 0.007 -12.512 1.00 0.00 C ATOM 555 SD MET A 749 3.042 0.954 -13.943 1.00 0.00 S ATOM 556 CE MET A 749 2.341 2.502 -13.417 1.00 0.00 C ATOM 0 H MET A 749 4.400 -0.128 -10.049 1.00 0.00 H new ATOM 0 HA MET A 749 2.061 -1.433 -10.560 1.00 0.00 H new ATOM 0 HB2 MET A 749 4.496 -0.720 -12.125 1.00 0.00 H new ATOM 0 HB3 MET A 749 3.424 -1.895 -12.862 1.00 0.00 H new ATOM 0 HG2 MET A 749 1.550 -0.424 -12.709 1.00 0.00 H new ATOM 0 HG3 MET A 749 2.419 0.685 -11.666 1.00 0.00 H new ATOM 0 HE1 MET A 749 1.497 2.756 -14.058 1.00 0.00 H new ATOM 0 HE2 MET A 749 2.000 2.415 -12.385 1.00 0.00 H new ATOM 0 HE3 MET A 749 3.096 3.285 -13.484 1.00 0.00 H new ATOM 566 N GLU A 750 4.469 -3.515 -10.190 1.00 0.00 N ATOM 567 CA GLU A 750 4.816 -4.912 -10.059 1.00 0.00 C ATOM 568 C GLU A 750 5.790 -5.106 -8.902 1.00 0.00 C ATOM 569 O GLU A 750 6.473 -4.167 -8.495 1.00 0.00 O ATOM 570 CB GLU A 750 5.427 -5.415 -11.356 1.00 0.00 C ATOM 571 CG GLU A 750 4.405 -5.905 -12.368 1.00 0.00 C ATOM 572 CD GLU A 750 5.049 -6.486 -13.611 1.00 0.00 C ATOM 573 OE1 GLU A 750 5.432 -5.701 -14.504 1.00 0.00 O ATOM 574 OE2 GLU A 750 5.169 -7.727 -13.693 1.00 0.00 O ATOM 0 H GLU A 750 5.185 -2.873 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 750 3.913 -5.485 -9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 750 6.013 -4.613 -11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 750 6.118 -6.227 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 750 3.773 -6.662 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 750 3.755 -5.077 -12.653 1.00 0.00 H new ATOM 581 N PRO A 751 5.871 -6.331 -8.362 1.00 0.00 N ATOM 582 CA PRO A 751 6.748 -6.652 -7.239 1.00 0.00 C ATOM 583 C PRO A 751 8.202 -6.703 -7.644 1.00 0.00 C ATOM 584 O PRO A 751 8.565 -7.305 -8.654 1.00 0.00 O ATOM 585 CB PRO A 751 6.268 -8.032 -6.781 1.00 0.00 C ATOM 586 CG PRO A 751 4.990 -8.248 -7.506 1.00 0.00 C ATOM 587 CD PRO A 751 5.133 -7.514 -8.793 1.00 0.00 C ATOM 0 HA PRO A 751 6.696 -5.894 -6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 751 6.997 -8.805 -7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 751 6.120 -8.061 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 751 4.811 -9.309 -7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 751 4.144 -7.871 -6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 751 5.680 -8.092 -9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 751 4.168 -7.260 -9.232 1.00 0.00 H new ATOM 595 N VAL A 752 9.026 -6.064 -6.840 1.00 0.00 N ATOM 596 CA VAL A 752 10.449 -6.016 -7.087 1.00 0.00 C ATOM 597 C VAL A 752 11.048 -7.414 -7.056 1.00 0.00 C ATOM 598 O VAL A 752 10.455 -8.372 -6.560 1.00 0.00 O ATOM 599 CB VAL A 752 11.158 -5.058 -6.092 1.00 0.00 C ATOM 600 CG1 VAL A 752 10.171 -4.401 -5.162 1.00 0.00 C ATOM 601 CG2 VAL A 752 12.241 -5.755 -5.309 1.00 0.00 C ATOM 0 H VAL A 752 8.729 -5.566 -6.001 1.00 0.00 H new ATOM 0 HA VAL A 752 10.610 -5.613 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 752 11.633 -4.281 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 752 10.701 -3.737 -4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 752 9.452 -3.824 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 752 9.645 -5.166 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 752 12.709 -5.046 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 752 11.807 -6.576 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 752 12.991 -6.147 -5.996 1.00 0.00 H new ATOM 611 N LYS A 753 12.236 -7.479 -7.596 1.00 0.00 N ATOM 612 CA LYS A 753 13.009 -8.687 -7.747 1.00 0.00 C ATOM 613 C LYS A 753 13.594 -9.146 -6.419 1.00 0.00 C ATOM 614 O LYS A 753 14.403 -10.073 -6.362 1.00 0.00 O ATOM 615 CB LYS A 753 14.129 -8.328 -8.710 1.00 0.00 C ATOM 616 CG LYS A 753 15.025 -9.453 -9.075 1.00 0.00 C ATOM 617 CD LYS A 753 14.450 -10.316 -10.184 1.00 0.00 C ATOM 618 CE LYS A 753 15.450 -11.362 -10.639 1.00 0.00 C ATOM 619 NZ LYS A 753 16.621 -10.749 -11.324 1.00 0.00 N ATOM 0 H LYS A 753 12.714 -6.655 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 753 12.389 -9.506 -8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 753 13.689 -7.923 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 753 14.729 -7.534 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 753 15.990 -9.057 -9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 753 15.205 -10.070 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 753 13.542 -10.806 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 753 14.168 -9.687 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 753 15.792 -11.936 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 753 14.960 -12.063 -11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 17.137 -11.482 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 16.292 -10.015 -11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 17.252 -10.322 -10.617 1.00 0.00 H new ATOM 633 N ARG A 754 13.160 -8.505 -5.349 1.00 0.00 N ATOM 634 CA ARG A 754 13.686 -8.783 -4.028 1.00 0.00 C ATOM 635 C ARG A 754 15.178 -8.477 -4.021 1.00 0.00 C ATOM 636 O ARG A 754 15.868 -8.681 -3.022 1.00 0.00 O ATOM 637 CB ARG A 754 13.415 -10.232 -3.610 1.00 0.00 C ATOM 638 CG ARG A 754 13.846 -10.552 -2.188 1.00 0.00 C ATOM 639 CD ARG A 754 13.384 -11.936 -1.763 1.00 0.00 C ATOM 640 NE ARG A 754 13.834 -12.272 -0.414 1.00 0.00 N ATOM 641 CZ ARG A 754 13.616 -13.450 0.164 1.00 0.00 C ATOM 642 NH1 ARG A 754 12.964 -14.403 -0.487 1.00 0.00 N ATOM 643 NH2 ARG A 754 14.052 -13.675 1.396 1.00 0.00 N ATOM 0 H ARG A 754 12.439 -7.784 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 754 13.181 -8.148 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 754 12.349 -10.436 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 754 13.934 -10.901 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 754 14.932 -10.491 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 754 13.437 -9.806 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 754 12.296 -11.984 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 754 13.763 -12.677 -2.467 1.00 0.00 H new ATOM 0 HE ARG A 754 14.344 -11.564 0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 754 12.627 -14.234 -1.435 1.00 0.00 H new ATOM 0 HH12 ARG A 754 12.799 -15.305 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 754 14.555 -12.945 1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 754 13.885 -14.578 1.839 1.00 0.00 H new ATOM 657 N THR A 755 15.670 -7.963 -5.156 1.00 0.00 N ATOM 658 CA THR A 755 17.074 -7.624 -5.285 1.00 0.00 C ATOM 659 C THR A 755 17.293 -6.337 -6.079 1.00 0.00 C ATOM 660 O THR A 755 18.341 -5.706 -5.933 1.00 0.00 O ATOM 661 CB THR A 755 17.898 -8.751 -5.916 1.00 0.00 C ATOM 662 OG1 THR A 755 17.465 -8.992 -7.261 1.00 0.00 O ATOM 663 CG2 THR A 755 17.790 -10.029 -5.101 1.00 0.00 C ATOM 0 H THR A 755 15.111 -7.777 -5.989 1.00 0.00 H new ATOM 0 HA THR A 755 17.422 -7.470 -4.264 1.00 0.00 H new ATOM 0 HB THR A 755 18.942 -8.438 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 755 18.001 -9.713 -7.653 1.00 0.00 H new ATOM 0 HG21 THR A 755 18.384 -10.812 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 755 18.160 -9.849 -4.092 1.00 0.00 H new ATOM 0 HG23 THR A 755 16.747 -10.344 -5.054 1.00 0.00 H new ATOM 671 N GLU A 756 16.329 -5.930 -6.922 1.00 0.00 N ATOM 672 CA GLU A 756 16.490 -4.663 -7.631 1.00 0.00 C ATOM 673 C GLU A 756 16.485 -3.669 -6.536 1.00 0.00 C ATOM 674 O GLU A 756 16.998 -2.553 -6.613 1.00 0.00 O ATOM 675 CB GLU A 756 15.350 -4.336 -8.576 1.00 0.00 C ATOM 676 CG GLU A 756 14.033 -4.862 -8.105 1.00 0.00 C ATOM 677 CD GLU A 756 12.881 -4.498 -9.023 1.00 0.00 C ATOM 678 OE1 GLU A 756 12.722 -5.166 -10.067 1.00 0.00 O ATOM 679 OE2 GLU A 756 12.138 -3.549 -8.700 1.00 0.00 O ATOM 0 H GLU A 756 15.467 -6.439 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 756 17.384 -4.684 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 756 15.282 -3.255 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 756 15.570 -4.751 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 756 14.092 -5.947 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 756 13.830 -4.474 -7.107 1.00 0.00 H new ATOM 686 N ALA A 757 15.850 -4.165 -5.504 1.00 0.00 N ATOM 687 CA ALA A 757 15.681 -3.509 -4.271 1.00 0.00 C ATOM 688 C ALA A 757 16.616 -4.167 -3.284 1.00 0.00 C ATOM 689 O ALA A 757 16.305 -5.172 -2.654 1.00 0.00 O ATOM 690 CB ALA A 757 14.253 -3.622 -3.891 1.00 0.00 C ATOM 0 H ALA A 757 15.420 -5.090 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 757 15.925 -2.447 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 757 14.090 -3.122 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 757 13.635 -3.154 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 757 13.983 -4.674 -3.800 1.00 0.00 H new ATOM 696 N PRO A 758 17.806 -3.605 -3.205 1.00 0.00 N ATOM 697 CA PRO A 758 18.884 -4.103 -2.360 1.00 0.00 C ATOM 698 C PRO A 758 18.526 -4.058 -0.887 1.00 0.00 C ATOM 699 O PRO A 758 18.455 -2.992 -0.278 1.00 0.00 O ATOM 700 CB PRO A 758 20.049 -3.168 -2.701 1.00 0.00 C ATOM 701 CG PRO A 758 19.400 -1.937 -3.246 1.00 0.00 C ATOM 702 CD PRO A 758 18.170 -2.390 -3.928 1.00 0.00 C ATOM 0 HA PRO A 758 19.114 -5.153 -2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 758 20.647 -2.943 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 758 20.718 -3.620 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 758 19.166 -1.233 -2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 758 20.063 -1.422 -3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 758 17.382 -1.639 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 758 18.348 -2.590 -4.985 1.00 0.00 H new ATOM 710 N GLY A 759 18.315 -5.237 -0.319 1.00 0.00 N ATOM 711 CA GLY A 759 17.928 -5.326 1.067 1.00 0.00 C ATOM 712 C GLY A 759 16.445 -5.088 1.215 1.00 0.00 C ATOM 713 O GLY A 759 15.943 -4.904 2.318 1.00 0.00 O ATOM 0 H GLY A 759 18.406 -6.133 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 759 18.186 -6.309 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 759 18.481 -4.592 1.654 1.00 0.00 H new ATOM 717 N TYR A 760 15.755 -5.095 0.074 1.00 0.00 N ATOM 718 CA TYR A 760 14.315 -4.876 0.016 1.00 0.00 C ATOM 719 C TYR A 760 13.575 -5.579 1.144 1.00 0.00 C ATOM 720 O TYR A 760 12.998 -4.936 2.010 1.00 0.00 O ATOM 721 CB TYR A 760 13.843 -5.387 -1.347 1.00 0.00 C ATOM 722 CG TYR A 760 12.368 -5.312 -1.635 1.00 0.00 C ATOM 723 CD1 TYR A 760 11.641 -4.218 -1.282 1.00 0.00 C ATOM 724 CD2 TYR A 760 11.712 -6.339 -2.280 1.00 0.00 C ATOM 725 CE1 TYR A 760 10.300 -4.135 -1.553 1.00 0.00 C ATOM 726 CE2 TYR A 760 10.363 -6.264 -2.559 1.00 0.00 C ATOM 727 CZ TYR A 760 9.663 -5.155 -2.191 1.00 0.00 C ATOM 728 OH TYR A 760 8.319 -5.059 -2.469 1.00 0.00 O ATOM 0 H TYR A 760 16.184 -5.254 -0.838 1.00 0.00 H new ATOM 0 HA TYR A 760 14.099 -3.815 0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 760 14.367 -4.824 -2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 760 14.154 -6.427 -1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 760 12.130 -3.398 -0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 760 12.265 -7.219 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 760 9.746 -3.256 -1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 760 9.866 -7.078 -3.065 1.00 0.00 H new ATOM 0 HH TYR A 760 8.071 -5.743 -3.126 1.00 0.00 H new ATOM 738 N TYR A 761 13.619 -6.893 1.139 1.00 0.00 N ATOM 739 CA TYR A 761 12.927 -7.688 2.146 1.00 0.00 C ATOM 740 C TYR A 761 13.432 -7.445 3.565 1.00 0.00 C ATOM 741 O TYR A 761 12.759 -7.800 4.532 1.00 0.00 O ATOM 742 CB TYR A 761 12.993 -9.168 1.787 1.00 0.00 C ATOM 743 CG TYR A 761 11.881 -9.549 0.851 1.00 0.00 C ATOM 744 CD1 TYR A 761 11.634 -8.767 -0.253 1.00 0.00 C ATOM 745 CD2 TYR A 761 11.048 -10.633 1.095 1.00 0.00 C ATOM 746 CE1 TYR A 761 10.594 -9.039 -1.109 1.00 0.00 C ATOM 747 CE2 TYR A 761 10.003 -10.929 0.236 1.00 0.00 C ATOM 748 CZ TYR A 761 9.778 -10.125 -0.866 1.00 0.00 C ATOM 749 OH TYR A 761 8.734 -10.405 -1.718 1.00 0.00 O ATOM 0 H TYR A 761 14.128 -7.442 0.447 1.00 0.00 H new ATOM 0 HA TYR A 761 11.887 -7.362 2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 761 13.954 -9.390 1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 761 12.930 -9.768 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 761 12.273 -7.919 -0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 761 11.217 -11.252 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 761 10.416 -8.407 -1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 761 9.368 -11.782 0.426 1.00 0.00 H new ATOM 0 HH TYR A 761 8.260 -11.203 -1.403 1.00 0.00 H new ATOM 759 N GLU A 762 14.606 -6.847 3.696 1.00 0.00 N ATOM 760 CA GLU A 762 15.166 -6.580 5.016 1.00 0.00 C ATOM 761 C GLU A 762 14.434 -5.413 5.668 1.00 0.00 C ATOM 762 O GLU A 762 14.050 -5.468 6.837 1.00 0.00 O ATOM 763 CB GLU A 762 16.664 -6.285 4.907 1.00 0.00 C ATOM 764 CG GLU A 762 17.053 -4.895 5.380 1.00 0.00 C ATOM 765 CD GLU A 762 18.522 -4.793 5.732 1.00 0.00 C ATOM 766 OE1 GLU A 762 19.338 -5.481 5.084 1.00 0.00 O ATOM 767 OE2 GLU A 762 18.857 -4.035 6.667 1.00 0.00 O ATOM 0 H GLU A 762 15.186 -6.539 2.915 1.00 0.00 H new ATOM 0 HA GLU A 762 15.036 -7.464 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 762 17.213 -7.024 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 762 16.973 -6.405 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 762 16.818 -4.170 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 762 16.454 -4.630 6.252 1.00 0.00 H new ATOM 774 N VAL A 763 14.254 -4.362 4.886 1.00 0.00 N ATOM 775 CA VAL A 763 13.574 -3.162 5.323 1.00 0.00 C ATOM 776 C VAL A 763 12.098 -3.375 5.184 1.00 0.00 C ATOM 777 O VAL A 763 11.319 -3.237 6.128 1.00 0.00 O ATOM 778 CB VAL A 763 13.990 -1.937 4.451 1.00 0.00 C ATOM 779 CG1 VAL A 763 14.708 -2.346 3.193 1.00 0.00 C ATOM 780 CG2 VAL A 763 12.812 -1.126 4.011 1.00 0.00 C ATOM 0 H VAL A 763 14.581 -4.321 3.921 1.00 0.00 H new ATOM 0 HA VAL A 763 13.844 -2.959 6.359 1.00 0.00 H new ATOM 0 HB VAL A 763 14.644 -1.353 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 763 14.976 -1.457 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 763 15.612 -2.897 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 763 14.057 -2.981 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 763 13.154 -0.285 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 763 12.142 -1.749 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 763 12.281 -0.752 4.886 1.00 0.00 H new ATOM 790 N ILE A 764 11.748 -3.716 3.975 1.00 0.00 N ATOM 791 CA ILE A 764 10.394 -3.938 3.603 1.00 0.00 C ATOM 792 C ILE A 764 9.852 -5.216 4.213 1.00 0.00 C ATOM 793 O ILE A 764 9.961 -6.297 3.636 1.00 0.00 O ATOM 794 CB ILE A 764 10.300 -3.963 2.088 1.00 0.00 C ATOM 795 CG1 ILE A 764 10.905 -2.668 1.561 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.873 -4.095 1.641 1.00 0.00 C ATOM 797 CD1 ILE A 764 10.044 -1.449 1.799 1.00 0.00 C ATOM 0 H ILE A 764 12.413 -3.848 3.213 1.00 0.00 H new ATOM 0 HA ILE A 764 9.778 -3.126 3.989 1.00 0.00 H new ATOM 0 HB ILE A 764 10.843 -4.823 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 764 11.875 -2.513 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 764 11.084 -2.771 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.833 -4.111 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 764 8.453 -5.021 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 764 8.295 -3.249 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 764 10.542 -0.567 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 764 9.082 -1.581 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 764 9.886 -1.319 2.870 1.00 0.00 H new ATOM 809 N ARG A 765 9.296 -5.074 5.403 1.00 0.00 N ATOM 810 CA ARG A 765 8.721 -6.181 6.132 1.00 0.00 C ATOM 811 C ARG A 765 7.607 -6.835 5.330 1.00 0.00 C ATOM 812 O ARG A 765 7.469 -8.059 5.328 1.00 0.00 O ATOM 813 CB ARG A 765 8.164 -5.647 7.445 1.00 0.00 C ATOM 814 CG ARG A 765 8.076 -6.648 8.575 1.00 0.00 C ATOM 815 CD ARG A 765 9.366 -7.356 8.803 1.00 0.00 C ATOM 816 NE ARG A 765 10.507 -6.449 8.864 1.00 0.00 N ATOM 817 CZ ARG A 765 11.738 -6.833 9.190 1.00 0.00 C ATOM 818 NH1 ARG A 765 11.984 -8.104 9.484 1.00 0.00 N ATOM 819 NH2 ARG A 765 12.723 -5.947 9.225 1.00 0.00 N ATOM 0 H ARG A 765 9.232 -4.180 5.890 1.00 0.00 H new ATOM 0 HA ARG A 765 9.488 -6.933 6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 765 8.786 -4.813 7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 765 7.167 -5.247 7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 765 7.779 -6.135 9.490 1.00 0.00 H new ATOM 0 HG3 ARG A 765 7.298 -7.378 8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 765 9.306 -7.920 9.734 1.00 0.00 H new ATOM 0 HD3 ARG A 765 9.525 -8.079 8.003 1.00 0.00 H new ATOM 0 HE ARG A 765 10.352 -5.465 8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 765 11.228 -8.788 9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 765 12.929 -8.396 9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 765 12.538 -4.969 9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 765 13.667 -6.243 9.475 1.00 0.00 H new ATOM 833 N PHE A 766 6.810 -6.013 4.641 1.00 0.00 N ATOM 834 CA PHE A 766 5.685 -6.535 3.870 1.00 0.00 C ATOM 835 C PHE A 766 5.623 -5.983 2.449 1.00 0.00 C ATOM 836 O PHE A 766 4.761 -5.170 2.123 1.00 0.00 O ATOM 837 CB PHE A 766 4.370 -6.226 4.581 1.00 0.00 C ATOM 838 CG PHE A 766 4.488 -6.044 6.063 1.00 0.00 C ATOM 839 CD1 PHE A 766 5.000 -7.051 6.838 1.00 0.00 C ATOM 840 CD2 PHE A 766 4.063 -4.882 6.680 1.00 0.00 C ATOM 841 CE1 PHE A 766 5.100 -6.914 8.198 1.00 0.00 C ATOM 842 CE2 PHE A 766 4.167 -4.733 8.045 1.00 0.00 C ATOM 843 CZ PHE A 766 4.690 -5.756 8.800 1.00 0.00 C ATOM 0 H PHE A 766 6.922 -5.000 4.603 1.00 0.00 H new ATOM 0 HA PHE A 766 5.839 -7.612 3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 766 3.944 -5.320 4.150 1.00 0.00 H new ATOM 0 HB3 PHE A 766 3.667 -7.035 4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.330 -7.967 6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 766 3.645 -4.083 6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 766 5.502 -7.720 8.794 1.00 0.00 H new ATOM 0 HE2 PHE A 766 3.840 -3.819 8.519 1.00 0.00 H new ATOM 0 HZ PHE A 766 4.777 -5.645 9.871 1.00 0.00 H new ATOM 853 N PRO A 767 6.546 -6.419 1.592 1.00 0.00 N ATOM 854 CA PRO A 767 6.594 -6.019 0.178 1.00 0.00 C ATOM 855 C PRO A 767 5.255 -6.109 -0.528 1.00 0.00 C ATOM 856 O PRO A 767 4.752 -7.199 -0.798 1.00 0.00 O ATOM 857 CB PRO A 767 7.564 -7.047 -0.384 1.00 0.00 C ATOM 858 CG PRO A 767 8.540 -7.153 0.716 1.00 0.00 C ATOM 859 CD PRO A 767 7.682 -7.295 1.932 1.00 0.00 C ATOM 0 HA PRO A 767 6.882 -4.976 0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 767 7.077 -7.999 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 767 8.026 -6.712 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 767 9.198 -8.012 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 767 9.176 -6.270 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 767 7.370 -8.326 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 767 8.195 -6.969 2.837 1.00 0.00 H new ATOM 867 N MET A 768 4.681 -4.951 -0.825 1.00 0.00 N ATOM 868 CA MET A 768 3.414 -4.900 -1.527 1.00 0.00 C ATOM 869 C MET A 768 3.554 -4.087 -2.789 1.00 0.00 C ATOM 870 O MET A 768 4.387 -3.185 -2.880 1.00 0.00 O ATOM 871 CB MET A 768 2.313 -4.294 -0.656 1.00 0.00 C ATOM 872 CG MET A 768 0.901 -4.304 -1.266 1.00 0.00 C ATOM 873 SD MET A 768 0.500 -5.735 -2.275 1.00 0.00 S ATOM 874 CE MET A 768 0.484 -6.965 -1.006 1.00 0.00 C ATOM 0 H MET A 768 5.074 -4.040 -0.590 1.00 0.00 H new ATOM 0 HA MET A 768 3.133 -5.924 -1.774 1.00 0.00 H new ATOM 0 HB2 MET A 768 2.284 -4.835 0.290 1.00 0.00 H new ATOM 0 HB3 MET A 768 2.583 -3.263 -0.426 1.00 0.00 H new ATOM 0 HG2 MET A 768 0.175 -4.238 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 768 0.782 -3.408 -1.875 1.00 0.00 H new ATOM 0 HE1 MET A 768 -0.390 -7.604 -1.130 1.00 0.00 H new ATOM 0 HE2 MET A 768 1.388 -7.570 -1.074 1.00 0.00 H new ATOM 0 HE3 MET A 768 0.444 -6.481 -0.030 1.00 0.00 H new ATOM 884 N ASP A 769 2.734 -4.413 -3.757 1.00 0.00 N ATOM 885 CA ASP A 769 2.744 -3.727 -5.016 1.00 0.00 C ATOM 886 C ASP A 769 1.345 -3.686 -5.590 1.00 0.00 C ATOM 887 O ASP A 769 0.435 -4.293 -5.048 1.00 0.00 O ATOM 888 CB ASP A 769 3.696 -4.426 -5.972 1.00 0.00 C ATOM 889 CG ASP A 769 5.149 -4.168 -5.626 1.00 0.00 C ATOM 890 OD1 ASP A 769 5.699 -4.912 -4.787 1.00 0.00 O ATOM 891 OD2 ASP A 769 5.735 -3.220 -6.188 1.00 0.00 O ATOM 0 H ASP A 769 2.043 -5.161 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 769 3.087 -2.703 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.505 -5.499 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 769 3.501 -4.086 -6.989 1.00 0.00 H new ATOM 896 N LEU A 770 1.178 -2.935 -6.658 1.00 0.00 N ATOM 897 CA LEU A 770 -0.111 -2.829 -7.323 1.00 0.00 C ATOM 898 C LEU A 770 -0.448 -4.108 -8.059 1.00 0.00 C ATOM 899 O LEU A 770 -1.617 -4.406 -8.278 1.00 0.00 O ATOM 900 CB LEU A 770 -0.119 -1.633 -8.253 1.00 0.00 C ATOM 901 CG LEU A 770 0.612 -0.454 -7.685 1.00 0.00 C ATOM 902 CD1 LEU A 770 1.283 0.282 -8.795 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.340 0.449 -6.958 1.00 0.00 C ATOM 0 H LEU A 770 1.921 -2.385 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 770 -0.883 -2.678 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.335 -1.914 -9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.150 -1.349 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 770 1.362 -0.799 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.817 1.142 -8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 770 1.988 -0.381 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 770 0.534 0.624 -9.510 1.00 0.00 H new ATOM 0 HD21 LEU A 770 0.205 1.301 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.104 0.804 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.814 -0.101 -6.145 1.00 0.00 H new ATOM 915 N LYS A 771 0.571 -4.844 -8.488 1.00 0.00 N ATOM 916 CA LYS A 771 0.323 -6.125 -9.127 1.00 0.00 C ATOM 917 C LYS A 771 0.024 -7.140 -8.051 1.00 0.00 C ATOM 918 O LYS A 771 -0.824 -8.005 -8.223 1.00 0.00 O ATOM 919 CB LYS A 771 1.488 -6.614 -9.962 1.00 0.00 C ATOM 920 CG LYS A 771 1.031 -7.500 -11.101 1.00 0.00 C ATOM 921 CD LYS A 771 0.940 -6.708 -12.387 1.00 0.00 C ATOM 922 CE LYS A 771 0.139 -7.451 -13.436 1.00 0.00 C ATOM 923 NZ LYS A 771 0.060 -6.695 -14.716 1.00 0.00 N ATOM 0 H LYS A 771 1.553 -4.582 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.518 -5.996 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.032 -5.759 -10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.183 -7.166 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 771 1.728 -8.329 -11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.059 -7.933 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 771 0.476 -5.742 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 771 1.943 -6.509 -12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.594 -8.425 -13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -0.868 -7.635 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -0.497 -7.238 -15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -0.398 -5.776 -14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 1.019 -6.542 -15.088 1.00 0.00 H new ATOM 937 N THR A 772 0.770 -7.054 -6.953 1.00 0.00 N ATOM 938 CA THR A 772 0.530 -7.927 -5.815 1.00 0.00 C ATOM 939 C THR A 772 -0.855 -7.597 -5.275 1.00 0.00 C ATOM 940 O THR A 772 -1.621 -8.476 -4.883 1.00 0.00 O ATOM 941 CB THR A 772 1.577 -7.757 -4.705 1.00 0.00 C ATOM 942 OG1 THR A 772 2.889 -8.014 -5.220 1.00 0.00 O ATOM 943 CG2 THR A 772 1.279 -8.708 -3.561 1.00 0.00 C ATOM 0 H THR A 772 1.538 -6.394 -6.830 1.00 0.00 H new ATOM 0 HA THR A 772 0.600 -8.964 -6.145 1.00 0.00 H new ATOM 0 HB THR A 772 1.535 -6.732 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 772 3.549 -7.901 -4.505 1.00 0.00 H new ATOM 0 HG21 THR A 772 2.027 -8.581 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 772 0.290 -8.492 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 772 1.306 -9.735 -3.925 1.00 0.00 H new ATOM 951 N MET A 773 -1.143 -6.297 -5.243 1.00 0.00 N ATOM 952 CA MET A 773 -2.456 -5.801 -4.855 1.00 0.00 C ATOM 953 C MET A 773 -3.462 -6.445 -5.799 1.00 0.00 C ATOM 954 O MET A 773 -4.312 -7.224 -5.393 1.00 0.00 O ATOM 955 CB MET A 773 -2.503 -4.276 -4.986 1.00 0.00 C ATOM 956 CG MET A 773 -2.163 -3.543 -3.705 1.00 0.00 C ATOM 957 SD MET A 773 -3.351 -3.869 -2.412 1.00 0.00 S ATOM 958 CE MET A 773 -4.800 -3.119 -3.127 1.00 0.00 C ATOM 0 H MET A 773 -0.475 -5.564 -5.484 1.00 0.00 H new ATOM 0 HA MET A 773 -2.680 -6.049 -3.818 1.00 0.00 H new ATOM 0 HB2 MET A 773 -1.808 -3.966 -5.767 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.500 -3.979 -5.310 1.00 0.00 H new ATOM 0 HG2 MET A 773 -1.170 -3.842 -3.369 1.00 0.00 H new ATOM 0 HG3 MET A 773 -2.124 -2.471 -3.900 1.00 0.00 H new ATOM 0 HE1 MET A 773 -5.108 -2.269 -2.518 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.572 -2.778 -4.137 1.00 0.00 H new ATOM 0 HE3 MET A 773 -5.607 -3.850 -3.164 1.00 0.00 H new ATOM 968 N SER A 774 -3.304 -6.143 -7.084 1.00 0.00 N ATOM 969 CA SER A 774 -4.167 -6.691 -8.124 1.00 0.00 C ATOM 970 C SER A 774 -4.160 -8.205 -8.102 1.00 0.00 C ATOM 971 O SER A 774 -5.096 -8.842 -8.560 1.00 0.00 O ATOM 972 CB SER A 774 -3.731 -6.196 -9.482 1.00 0.00 C ATOM 973 OG SER A 774 -2.573 -6.874 -9.936 1.00 0.00 O ATOM 0 H SER A 774 -2.579 -5.516 -7.432 1.00 0.00 H new ATOM 0 HA SER A 774 -5.184 -6.351 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 774 -4.540 -6.337 -10.198 1.00 0.00 H new ATOM 0 HB3 SER A 774 -3.531 -5.126 -9.433 1.00 0.00 H new ATOM 0 HG SER A 774 -2.077 -7.225 -9.167 1.00 0.00 H new ATOM 979 N GLU A 775 -3.081 -8.775 -7.594 1.00 0.00 N ATOM 980 CA GLU A 775 -2.964 -10.214 -7.478 1.00 0.00 C ATOM 981 C GLU A 775 -4.075 -10.692 -6.578 1.00 0.00 C ATOM 982 O GLU A 775 -4.892 -11.541 -6.946 1.00 0.00 O ATOM 983 CB GLU A 775 -1.606 -10.568 -6.888 1.00 0.00 C ATOM 984 CG GLU A 775 -0.766 -11.454 -7.776 1.00 0.00 C ATOM 985 CD GLU A 775 0.263 -12.254 -7.002 1.00 0.00 C ATOM 986 OE1 GLU A 775 1.321 -11.686 -6.658 1.00 0.00 O ATOM 987 OE2 GLU A 775 0.011 -13.449 -6.736 1.00 0.00 O ATOM 0 H GLU A 775 -2.270 -8.258 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 775 -3.044 -10.693 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -1.058 -9.648 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -1.756 -11.067 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.417 -12.138 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.258 -10.839 -8.519 1.00 0.00 H new ATOM 994 N ARG A 776 -4.115 -10.077 -5.410 1.00 0.00 N ATOM 995 CA ARG A 776 -5.123 -10.364 -4.420 1.00 0.00 C ATOM 996 C ARG A 776 -6.481 -10.087 -5.025 1.00 0.00 C ATOM 997 O ARG A 776 -7.387 -10.917 -5.003 1.00 0.00 O ATOM 998 CB ARG A 776 -4.881 -9.483 -3.218 1.00 0.00 C ATOM 999 CG ARG A 776 -3.703 -9.938 -2.374 1.00 0.00 C ATOM 1000 CD ARG A 776 -2.897 -8.767 -1.839 1.00 0.00 C ATOM 1001 NE ARG A 776 -2.726 -8.834 -0.391 1.00 0.00 N ATOM 1002 CZ ARG A 776 -1.685 -9.411 0.202 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -0.738 -9.988 -0.528 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -1.591 -9.416 1.524 1.00 0.00 N ATOM 0 H ARG A 776 -3.445 -9.363 -5.126 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.081 -11.407 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -4.707 -8.461 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -5.779 -9.467 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.066 -10.539 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.056 -10.580 -2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -1.918 -8.752 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.396 -7.834 -2.102 1.00 0.00 H new ATOM 0 HE ARG A 776 -3.445 -8.415 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -0.808 -9.989 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 776 0.060 -10.430 -0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -2.318 -8.977 2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 776 -0.792 -9.859 1.977 1.00 0.00 H new ATOM 1018 N LEU A 777 -6.570 -8.903 -5.590 1.00 0.00 N ATOM 1019 CA LEU A 777 -7.759 -8.411 -6.258 1.00 0.00 C ATOM 1020 C LEU A 777 -8.303 -9.448 -7.188 1.00 0.00 C ATOM 1021 O LEU A 777 -9.479 -9.792 -7.143 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.363 -7.165 -7.043 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.472 -6.273 -7.578 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -9.740 -7.015 -7.878 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.744 -5.175 -6.581 1.00 0.00 C ATOM 0 H LEU A 777 -5.798 -8.237 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 777 -8.533 -8.178 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -6.725 -6.556 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.754 -7.483 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 777 -8.126 -5.861 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.488 -6.318 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -9.545 -7.780 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.110 -7.486 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -9.538 -4.531 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -9.051 -5.614 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.839 -4.586 -6.432 1.00 0.00 H new ATOM 1037 N LYS A 778 -7.434 -9.947 -8.018 1.00 0.00 N ATOM 1038 CA LYS A 778 -7.816 -10.922 -8.984 1.00 0.00 C ATOM 1039 C LYS A 778 -8.552 -12.070 -8.323 1.00 0.00 C ATOM 1040 O LYS A 778 -9.623 -12.480 -8.764 1.00 0.00 O ATOM 1041 CB LYS A 778 -6.602 -11.468 -9.683 1.00 0.00 C ATOM 1042 CG LYS A 778 -6.517 -11.041 -11.120 1.00 0.00 C ATOM 1043 CD LYS A 778 -5.768 -9.726 -11.273 1.00 0.00 C ATOM 1044 CE LYS A 778 -4.255 -9.926 -11.218 1.00 0.00 C ATOM 1045 NZ LYS A 778 -3.735 -10.552 -12.464 1.00 0.00 N ATOM 0 H LYS A 778 -6.448 -9.688 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 778 -8.472 -10.437 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -5.706 -11.138 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.618 -12.557 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.015 -11.815 -11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.522 -10.937 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -6.039 -9.261 -12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -6.073 -9.040 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -3.767 -8.964 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -4.002 -10.553 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -2.696 -10.502 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -4.034 -11.547 -12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -4.111 -10.044 -13.290 1.00 0.00 H new ATOM 1059 N ASN A 779 -7.947 -12.592 -7.259 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.520 -13.698 -6.518 1.00 0.00 C ATOM 1061 C ASN A 779 -9.725 -13.250 -5.707 1.00 0.00 C ATOM 1062 O ASN A 779 -10.341 -14.051 -5.003 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.495 -14.251 -5.544 1.00 0.00 C ATOM 1064 CG ASN A 779 -6.062 -14.008 -5.944 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -5.392 -13.144 -5.182 1.00 0.00 O flip ATOM 1066 ND2 ASN A 779 -5.558 -14.589 -6.904 1.00 0.00 N flip ATOM 0 H ASN A 779 -7.054 -12.260 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 779 -8.823 -14.454 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.666 -13.806 -4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -7.653 -15.324 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -6.115 -15.241 -7.455 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -4.583 -14.418 -7.149 1.00 0.00 H new ATOM 1073 N ARG A 780 -10.034 -11.963 -5.796 1.00 0.00 N ATOM 1074 CA ARG A 780 -11.140 -11.371 -5.052 1.00 0.00 C ATOM 1075 C ARG A 780 -10.764 -11.330 -3.583 1.00 0.00 C ATOM 1076 O ARG A 780 -11.621 -11.214 -2.706 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.436 -12.164 -5.208 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.087 -12.051 -6.567 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.284 -12.780 -7.619 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.085 -13.757 -8.352 1.00 0.00 N ATOM 1081 CZ ARG A 780 -12.959 -15.073 -8.209 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -12.078 -15.569 -7.350 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -13.716 -15.894 -8.924 1.00 0.00 N ATOM 0 H ARG A 780 -9.527 -11.301 -6.384 1.00 0.00 H new ATOM 0 HA ARG A 780 -11.316 -10.371 -5.449 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.229 -13.215 -5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -13.145 -11.827 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.096 -12.462 -6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -13.182 -11.000 -6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -11.867 -12.057 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.443 -13.286 -7.145 1.00 0.00 H new ATOM 0 HE ARG A 780 -13.781 -13.410 -9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -11.495 -14.940 -6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -11.984 -16.579 -7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -14.396 -15.516 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -13.619 -16.903 -8.814 1.00 0.00 H new ATOM 1097 N TYR A 781 -9.464 -11.429 -3.335 1.00 0.00 N ATOM 1098 CA TYR A 781 -8.927 -11.450 -1.991 1.00 0.00 C ATOM 1099 C TYR A 781 -9.445 -10.285 -1.164 1.00 0.00 C ATOM 1100 O TYR A 781 -9.708 -10.443 0.025 1.00 0.00 O ATOM 1101 CB TYR A 781 -7.400 -11.429 -2.070 1.00 0.00 C ATOM 1102 CG TYR A 781 -6.682 -11.081 -0.791 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -6.540 -9.764 -0.424 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -6.120 -12.058 0.018 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -5.860 -9.401 0.708 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -5.438 -11.714 1.169 1.00 0.00 C ATOM 1107 CZ TYR A 781 -5.305 -10.383 1.509 1.00 0.00 C ATOM 1108 OH TYR A 781 -4.611 -10.034 2.646 1.00 0.00 O ATOM 0 H TYR A 781 -8.755 -11.497 -4.066 1.00 0.00 H new ATOM 0 HA TYR A 781 -9.256 -12.361 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -7.059 -12.410 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -7.104 -10.713 -2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -6.976 -8.995 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -6.217 -13.098 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -5.758 -8.359 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -5.012 -12.481 1.798 1.00 0.00 H new ATOM 0 HH TYR A 781 -4.288 -10.844 3.094 1.00 0.00 H new ATOM 1118 N TYR A 782 -9.597 -9.120 -1.794 1.00 0.00 N ATOM 1119 CA TYR A 782 -10.070 -7.941 -1.085 1.00 0.00 C ATOM 1120 C TYR A 782 -11.519 -8.060 -0.689 1.00 0.00 C ATOM 1121 O TYR A 782 -12.406 -7.464 -1.302 1.00 0.00 O ATOM 1122 CB TYR A 782 -9.830 -6.683 -1.907 1.00 0.00 C ATOM 1123 CG TYR A 782 -8.410 -6.549 -2.273 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -7.511 -6.151 -1.338 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -7.958 -6.866 -3.524 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -6.193 -6.067 -1.621 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -6.624 -6.766 -3.822 1.00 0.00 C ATOM 1128 CZ TYR A 782 -5.750 -6.367 -2.858 1.00 0.00 C ATOM 1129 OH TYR A 782 -4.423 -6.293 -3.125 1.00 0.00 O ATOM 0 H TYR A 782 -9.401 -8.972 -2.784 1.00 0.00 H new ATOM 0 HA TYR A 782 -9.493 -7.865 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.440 -6.714 -2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -10.146 -5.808 -1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -7.856 -5.896 -0.347 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -8.655 -7.196 -4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -5.495 -5.760 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.269 -7.002 -4.814 1.00 0.00 H new ATOM 0 HH TYR A 782 -4.029 -5.551 -2.620 1.00 0.00 H new ATOM 1139 N VAL A 783 -11.747 -8.845 0.349 1.00 0.00 N ATOM 1140 CA VAL A 783 -13.070 -9.021 0.884 1.00 0.00 C ATOM 1141 C VAL A 783 -13.336 -7.886 1.833 1.00 0.00 C ATOM 1142 O VAL A 783 -14.300 -7.877 2.599 1.00 0.00 O ATOM 1143 CB VAL A 783 -13.204 -10.356 1.614 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -13.111 -11.481 0.619 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -12.137 -10.474 2.673 1.00 0.00 C ATOM 0 H VAL A 783 -11.021 -9.371 0.836 1.00 0.00 H new ATOM 0 HA VAL A 783 -13.794 -9.025 0.069 1.00 0.00 H new ATOM 0 HB VAL A 783 -14.174 -10.410 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -13.206 -12.435 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -13.912 -11.385 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -12.147 -11.439 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -12.240 -11.429 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -11.154 -10.418 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -12.245 -9.661 3.391 1.00 0.00 H new ATOM 1155 N SER A 784 -12.437 -6.924 1.749 1.00 0.00 N ATOM 1156 CA SER A 784 -12.465 -5.750 2.574 1.00 0.00 C ATOM 1157 C SER A 784 -11.586 -4.676 1.949 1.00 0.00 C ATOM 1158 O SER A 784 -10.408 -4.915 1.688 1.00 0.00 O ATOM 1159 CB SER A 784 -11.954 -6.116 3.950 1.00 0.00 C ATOM 1160 OG SER A 784 -13.015 -6.249 4.879 1.00 0.00 O ATOM 0 H SER A 784 -11.657 -6.945 1.092 1.00 0.00 H new ATOM 0 HA SER A 784 -13.481 -5.365 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 784 -11.397 -7.051 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 784 -11.259 -5.351 4.297 1.00 0.00 H new ATOM 0 HG SER A 784 -13.728 -6.794 4.485 1.00 0.00 H new ATOM 1166 N LYS A 785 -12.154 -3.502 1.686 1.00 0.00 N ATOM 1167 CA LYS A 785 -11.382 -2.414 1.095 1.00 0.00 C ATOM 1168 C LYS A 785 -10.177 -2.111 1.960 1.00 0.00 C ATOM 1169 O LYS A 785 -9.282 -1.387 1.547 1.00 0.00 O ATOM 1170 CB LYS A 785 -12.227 -1.159 0.930 1.00 0.00 C ATOM 1171 CG LYS A 785 -12.355 -0.323 2.191 1.00 0.00 C ATOM 1172 CD LYS A 785 -13.812 -0.026 2.483 1.00 0.00 C ATOM 1173 CE LYS A 785 -14.609 -1.306 2.682 1.00 0.00 C ATOM 1174 NZ LYS A 785 -14.141 -2.073 3.870 1.00 0.00 N ATOM 0 H LYS A 785 -13.133 -3.282 1.870 1.00 0.00 H new ATOM 0 HA LYS A 785 -11.053 -2.732 0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -11.793 -0.543 0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -13.224 -1.447 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -11.910 -0.853 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -11.804 0.610 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -13.887 0.594 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -14.240 0.547 1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -15.665 -1.062 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -14.524 -1.929 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -13.930 -3.052 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -13.282 -1.630 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -14.884 -2.074 4.598 1.00 0.00 H new ATOM 1188 N LYS A 786 -10.182 -2.651 3.179 1.00 0.00 N ATOM 1189 CA LYS A 786 -9.080 -2.446 4.100 1.00 0.00 C ATOM 1190 C LYS A 786 -7.915 -3.354 3.731 1.00 0.00 C ATOM 1191 O LYS A 786 -6.764 -3.015 3.970 1.00 0.00 O ATOM 1192 CB LYS A 786 -9.529 -2.672 5.545 1.00 0.00 C ATOM 1193 CG LYS A 786 -10.667 -1.755 5.971 1.00 0.00 C ATOM 1194 CD LYS A 786 -11.226 -2.150 7.329 1.00 0.00 C ATOM 1195 CE LYS A 786 -12.402 -1.270 7.723 1.00 0.00 C ATOM 1196 NZ LYS A 786 -13.497 -1.325 6.717 1.00 0.00 N ATOM 0 H LYS A 786 -10.937 -3.231 3.544 1.00 0.00 H new ATOM 0 HA LYS A 786 -8.744 -1.412 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -9.843 -3.709 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -8.679 -2.519 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -10.311 -0.726 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -11.462 -1.790 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -11.542 -3.193 7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -10.443 -2.072 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -12.784 -1.587 8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -12.063 -0.240 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -14.401 -1.089 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -13.305 -0.642 5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -13.552 -2.283 6.316 1.00 0.00 H new ATOM 1210 N LEU A 787 -8.216 -4.529 3.192 1.00 0.00 N ATOM 1211 CA LEU A 787 -7.173 -5.418 2.707 1.00 0.00 C ATOM 1212 C LEU A 787 -6.450 -4.660 1.654 1.00 0.00 C ATOM 1213 O LEU A 787 -5.225 -4.560 1.595 1.00 0.00 O ATOM 1214 CB LEU A 787 -7.796 -6.628 2.032 1.00 0.00 C ATOM 1215 CG LEU A 787 -8.132 -7.754 2.947 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -8.874 -8.828 2.188 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -6.863 -8.250 3.595 1.00 0.00 C ATOM 0 H LEU A 787 -9.166 -4.884 3.081 1.00 0.00 H new ATOM 0 HA LEU A 787 -6.532 -5.743 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -8.705 -6.312 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -7.110 -6.993 1.268 1.00 0.00 H new ATOM 0 HG LEU A 787 -8.799 -7.425 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -9.117 -9.649 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -9.794 -8.413 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -8.248 -9.199 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -7.097 -9.075 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -6.172 -8.594 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -6.403 -7.440 4.161 1.00 0.00 H new ATOM 1229 N PHE A 788 -7.304 -4.141 0.826 1.00 0.00 N ATOM 1230 CA PHE A 788 -6.970 -3.339 -0.288 1.00 0.00 C ATOM 1231 C PHE A 788 -6.253 -2.090 0.129 1.00 0.00 C ATOM 1232 O PHE A 788 -5.252 -1.696 -0.469 1.00 0.00 O ATOM 1233 CB PHE A 788 -8.251 -3.026 -0.968 1.00 0.00 C ATOM 1234 CG PHE A 788 -7.958 -2.584 -2.309 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -7.668 -1.302 -2.452 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -7.927 -3.422 -3.391 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.344 -0.783 -3.645 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -7.600 -2.918 -4.622 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.311 -1.589 -4.748 1.00 0.00 C ATOM 0 H PHE A 788 -8.310 -4.280 0.925 1.00 0.00 H new ATOM 0 HA PHE A 788 -6.287 -3.863 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -8.893 -3.906 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -8.791 -2.252 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -7.693 -0.657 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -8.158 -4.471 -3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.110 0.268 -3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -7.571 -3.566 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 788 -7.058 -1.178 -5.714 1.00 0.00 H new ATOM 1249 N MET A 789 -6.768 -1.474 1.155 1.00 0.00 N ATOM 1250 CA MET A 789 -6.177 -0.279 1.665 1.00 0.00 C ATOM 1251 C MET A 789 -4.806 -0.596 2.189 1.00 0.00 C ATOM 1252 O MET A 789 -3.815 -0.165 1.644 1.00 0.00 O ATOM 1253 CB MET A 789 -7.037 0.269 2.762 1.00 0.00 C ATOM 1254 CG MET A 789 -8.106 1.181 2.229 1.00 0.00 C ATOM 1255 SD MET A 789 -8.165 2.726 3.122 1.00 0.00 S ATOM 1256 CE MET A 789 -7.429 3.770 1.882 1.00 0.00 C ATOM 0 H MET A 789 -7.601 -1.785 1.654 1.00 0.00 H new ATOM 0 HA MET A 789 -6.095 0.466 0.874 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.500 -0.554 3.307 1.00 0.00 H new ATOM 0 HB3 MET A 789 -6.416 0.813 3.473 1.00 0.00 H new ATOM 0 HG2 MET A 789 -7.922 1.378 1.173 1.00 0.00 H new ATOM 0 HG3 MET A 789 -9.074 0.685 2.297 1.00 0.00 H new ATOM 0 HE1 MET A 789 -6.838 4.548 2.365 1.00 0.00 H new ATOM 0 HE2 MET A 789 -6.784 3.172 1.239 1.00 0.00 H new ATOM 0 HE3 MET A 789 -8.214 4.230 1.282 1.00 0.00 H new ATOM 1266 N ALA A 790 -4.786 -1.419 3.216 1.00 0.00 N ATOM 1267 CA ALA A 790 -3.565 -1.850 3.874 1.00 0.00 C ATOM 1268 C ALA A 790 -2.461 -2.225 2.903 1.00 0.00 C ATOM 1269 O ALA A 790 -1.336 -1.767 3.042 1.00 0.00 O ATOM 1270 CB ALA A 790 -3.871 -3.058 4.727 1.00 0.00 C ATOM 0 H ALA A 790 -5.631 -1.816 3.626 1.00 0.00 H new ATOM 0 HA ALA A 790 -3.210 -1.007 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -2.961 -3.391 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -4.620 -2.795 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -4.253 -3.861 4.097 1.00 0.00 H new ATOM 1276 N ASP A 791 -2.788 -3.076 1.937 1.00 0.00 N ATOM 1277 CA ASP A 791 -1.805 -3.554 0.976 1.00 0.00 C ATOM 1278 C ASP A 791 -1.383 -2.455 0.000 1.00 0.00 C ATOM 1279 O ASP A 791 -0.201 -2.171 -0.135 1.00 0.00 O ATOM 1280 CB ASP A 791 -2.330 -4.787 0.246 1.00 0.00 C ATOM 1281 CG ASP A 791 -2.378 -6.010 1.140 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -1.312 -6.415 1.649 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.480 -6.565 1.330 1.00 0.00 O ATOM 0 H ASP A 791 -3.728 -3.448 1.800 1.00 0.00 H new ATOM 0 HA ASP A 791 -0.909 -3.842 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -3.329 -4.581 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -1.695 -4.994 -0.615 1.00 0.00 H new ATOM 1288 N LEU A 792 -2.313 -1.834 -0.702 1.00 0.00 N ATOM 1289 CA LEU A 792 -1.916 -0.752 -1.595 1.00 0.00 C ATOM 1290 C LEU A 792 -1.149 0.251 -0.771 1.00 0.00 C ATOM 1291 O LEU A 792 -0.167 0.846 -1.216 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.129 -0.059 -2.215 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.186 -0.048 -3.715 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.300 0.869 -4.158 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.856 0.384 -4.278 1.00 0.00 C ATOM 0 H LEU A 792 -3.311 -2.045 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 792 -1.315 -1.158 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -4.030 -0.544 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -3.153 0.972 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 792 -3.392 -1.050 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -4.348 0.883 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -5.248 0.510 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.109 1.877 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.906 0.389 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -1.618 1.386 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.081 -0.310 -3.954 1.00 0.00 H new ATOM 1307 N GLN A 793 -1.609 0.394 0.457 1.00 0.00 N ATOM 1308 CA GLN A 793 -0.998 1.290 1.406 1.00 0.00 C ATOM 1309 C GLN A 793 0.329 0.708 1.804 1.00 0.00 C ATOM 1310 O GLN A 793 1.263 1.411 2.180 1.00 0.00 O ATOM 1311 CB GLN A 793 -1.877 1.452 2.634 1.00 0.00 C ATOM 1312 CG GLN A 793 -3.039 2.386 2.419 1.00 0.00 C ATOM 1313 CD GLN A 793 -3.926 2.486 3.645 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -5.227 2.641 3.436 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -3.444 2.408 4.775 1.00 0.00 N flip ATOM 0 H GLN A 793 -2.418 -0.110 0.820 1.00 0.00 H new ATOM 0 HA GLN A 793 -0.868 2.273 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -2.256 0.474 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -1.270 1.823 3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -2.664 3.377 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -3.630 2.039 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -2.438 2.289 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -4.051 2.462 5.593 1.00 0.00 H new ATOM 1324 N ARG A 794 0.375 -0.607 1.708 1.00 0.00 N ATOM 1325 CA ARG A 794 1.550 -1.370 2.024 1.00 0.00 C ATOM 1326 C ARG A 794 2.618 -1.091 0.977 1.00 0.00 C ATOM 1327 O ARG A 794 3.808 -1.219 1.252 1.00 0.00 O ATOM 1328 CB ARG A 794 1.206 -2.851 2.094 1.00 0.00 C ATOM 1329 CG ARG A 794 2.349 -3.672 2.618 1.00 0.00 C ATOM 1330 CD ARG A 794 2.644 -3.374 4.069 1.00 0.00 C ATOM 1331 NE ARG A 794 3.935 -2.708 4.242 1.00 0.00 N ATOM 1332 CZ ARG A 794 4.262 -1.994 5.316 1.00 0.00 C ATOM 1333 NH1 ARG A 794 3.391 -1.836 6.305 1.00 0.00 N ATOM 1334 NH2 ARG A 794 5.459 -1.431 5.400 1.00 0.00 N ATOM 0 H ARG A 794 -0.416 -1.175 1.404 1.00 0.00 H new ATOM 0 HA ARG A 794 1.937 -1.078 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 794 0.336 -2.991 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 794 0.930 -3.206 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 794 2.116 -4.731 2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 794 3.239 -3.477 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 794 1.854 -2.744 4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 794 2.637 -4.303 4.638 1.00 0.00 H new ATOM 0 HE ARG A 794 4.625 -2.796 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 794 2.467 -2.263 6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 794 3.646 -1.288 7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 794 6.131 -1.545 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 794 5.709 -0.884 6.224 1.00 0.00 H new ATOM 1348 N VAL A 795 2.191 -0.701 -0.235 1.00 0.00 N ATOM 1349 CA VAL A 795 3.148 -0.361 -1.280 1.00 0.00 C ATOM 1350 C VAL A 795 3.678 1.041 -1.008 1.00 0.00 C ATOM 1351 O VAL A 795 4.863 1.214 -0.781 1.00 0.00 O ATOM 1352 CB VAL A 795 2.580 -0.494 -2.734 1.00 0.00 C ATOM 1353 CG1 VAL A 795 1.379 -1.408 -2.751 1.00 0.00 C ATOM 1354 CG2 VAL A 795 2.230 0.840 -3.386 1.00 0.00 C ATOM 0 H VAL A 795 1.211 -0.617 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 795 3.959 -1.088 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 795 3.386 -0.924 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.998 -1.489 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 795 1.668 -2.396 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 795 0.602 -1.000 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 795 1.844 0.664 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 795 1.473 1.349 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 795 3.123 1.462 -3.445 1.00 0.00 H new ATOM 1364 N PHE A 796 2.781 2.023 -0.947 1.00 0.00 N ATOM 1365 CA PHE A 796 3.183 3.410 -0.688 1.00 0.00 C ATOM 1366 C PHE A 796 4.070 3.485 0.545 1.00 0.00 C ATOM 1367 O PHE A 796 5.143 4.081 0.514 1.00 0.00 O ATOM 1368 CB PHE A 796 1.976 4.314 -0.461 1.00 0.00 C ATOM 1369 CG PHE A 796 0.749 3.917 -1.219 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.794 3.648 -2.567 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -0.449 3.791 -0.568 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.330 3.260 -3.249 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -1.573 3.404 -1.250 1.00 0.00 C ATOM 1374 CZ PHE A 796 -1.505 3.138 -2.596 1.00 0.00 C ATOM 0 H PHE A 796 1.778 1.889 -1.072 1.00 0.00 H new ATOM 0 HA PHE A 796 3.726 3.751 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 796 1.742 4.325 0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 796 2.245 5.333 -0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.730 3.744 -3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -0.509 3.998 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.275 3.052 -4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -2.514 3.308 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.391 2.831 -3.132 1.00 0.00 H new ATOM 1384 N THR A 797 3.607 2.870 1.632 1.00 0.00 N ATOM 1385 CA THR A 797 4.340 2.878 2.893 1.00 0.00 C ATOM 1386 C THR A 797 5.686 2.172 2.770 1.00 0.00 C ATOM 1387 O THR A 797 6.682 2.657 3.294 1.00 0.00 O ATOM 1388 CB THR A 797 3.524 2.242 4.039 1.00 0.00 C ATOM 1389 OG1 THR A 797 4.089 2.615 5.302 1.00 0.00 O ATOM 1390 CG2 THR A 797 3.493 0.724 3.933 1.00 0.00 C ATOM 0 H THR A 797 2.725 2.359 1.663 1.00 0.00 H new ATOM 0 HA THR A 797 4.517 3.926 3.135 1.00 0.00 H new ATOM 0 HB THR A 797 2.501 2.610 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 797 5.022 2.318 5.343 1.00 0.00 H new ATOM 0 HG21 THR A 797 2.909 0.314 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 797 3.037 0.435 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 797 4.510 0.335 3.980 1.00 0.00 H new ATOM 1398 N ASN A 798 5.715 1.019 2.100 1.00 0.00 N ATOM 1399 CA ASN A 798 6.965 0.296 1.918 1.00 0.00 C ATOM 1400 C ASN A 798 7.847 1.083 0.962 1.00 0.00 C ATOM 1401 O ASN A 798 9.072 0.998 1.000 1.00 0.00 O ATOM 1402 CB ASN A 798 6.711 -1.138 1.417 1.00 0.00 C ATOM 1403 CG ASN A 798 6.615 -1.272 -0.096 1.00 0.00 C ATOM 1404 OD1 ASN A 798 7.357 -0.642 -0.848 1.00 0.00 O ATOM 1405 ND2 ASN A 798 5.701 -2.119 -0.549 1.00 0.00 N ATOM 0 H ASN A 798 4.898 0.574 1.682 1.00 0.00 H new ATOM 0 HA ASN A 798 7.477 0.200 2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 798 7.514 -1.782 1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.786 -1.505 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 798 5.595 -2.266 -1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 798 5.104 -2.623 0.106 1.00 0.00 H new ATOM 1412 N CYS A 799 7.202 1.882 0.123 1.00 0.00 N ATOM 1413 CA CYS A 799 7.901 2.703 -0.832 1.00 0.00 C ATOM 1414 C CYS A 799 8.427 3.938 -0.120 1.00 0.00 C ATOM 1415 O CYS A 799 9.418 4.548 -0.515 1.00 0.00 O ATOM 1416 CB CYS A 799 6.975 3.014 -1.988 1.00 0.00 C ATOM 1417 SG CYS A 799 6.399 1.514 -2.803 1.00 0.00 S ATOM 0 H CYS A 799 6.187 1.973 0.092 1.00 0.00 H new ATOM 0 HA CYS A 799 8.764 2.188 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 799 6.119 3.583 -1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 799 7.494 3.644 -2.710 1.00 0.00 H new ATOM 0 HG CYS A 799 6.231 1.746 -4.071 1.00 0.00 H new ATOM 1423 N LYS A 800 7.716 4.281 0.939 1.00 0.00 N ATOM 1424 CA LYS A 800 8.041 5.385 1.821 1.00 0.00 C ATOM 1425 C LYS A 800 9.026 4.928 2.901 1.00 0.00 C ATOM 1426 O LYS A 800 9.777 5.714 3.472 1.00 0.00 O ATOM 1427 CB LYS A 800 6.757 5.830 2.472 1.00 0.00 C ATOM 1428 CG LYS A 800 5.917 6.743 1.621 1.00 0.00 C ATOM 1429 CD LYS A 800 4.467 6.678 2.046 1.00 0.00 C ATOM 1430 CE LYS A 800 3.591 7.416 1.066 1.00 0.00 C ATOM 1431 NZ LYS A 800 2.700 8.399 1.737 1.00 0.00 N ATOM 0 H LYS A 800 6.870 3.783 1.217 1.00 0.00 H new ATOM 0 HA LYS A 800 8.501 6.198 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 800 6.169 4.949 2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.994 6.339 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 800 6.282 7.767 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 800 6.008 6.459 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 800 4.149 5.638 2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.354 7.111 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 800 4.218 7.933 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 800 2.986 6.699 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.904 8.630 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.336 7.991 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 3.236 9.265 1.950 1.00 0.00 H new ATOM 1445 N GLU A 801 8.978 3.632 3.179 1.00 0.00 N ATOM 1446 CA GLU A 801 9.796 3.006 4.220 1.00 0.00 C ATOM 1447 C GLU A 801 11.254 2.869 3.838 1.00 0.00 C ATOM 1448 O GLU A 801 12.147 3.446 4.456 1.00 0.00 O ATOM 1449 CB GLU A 801 9.283 1.585 4.431 1.00 0.00 C ATOM 1450 CG GLU A 801 8.690 1.314 5.804 1.00 0.00 C ATOM 1451 CD GLU A 801 7.854 2.469 6.324 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.641 2.501 6.034 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.414 3.340 7.023 1.00 0.00 O ATOM 0 H GLU A 801 8.368 2.978 2.688 1.00 0.00 H new ATOM 0 HA GLU A 801 9.723 3.642 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.526 1.372 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 801 10.105 0.889 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 801 8.072 0.417 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.496 1.109 6.509 1.00 0.00 H new ATOM 1460 N TYR A 802 11.453 2.095 2.798 1.00 0.00 N ATOM 1461 CA TYR A 802 12.761 1.776 2.283 1.00 0.00 C ATOM 1462 C TYR A 802 13.385 2.956 1.586 1.00 0.00 C ATOM 1463 O TYR A 802 14.470 3.411 1.940 1.00 0.00 O ATOM 1464 CB TYR A 802 12.577 0.603 1.321 1.00 0.00 C ATOM 1465 CG TYR A 802 13.790 0.119 0.578 1.00 0.00 C ATOM 1466 CD1 TYR A 802 15.055 0.670 0.729 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.632 -0.926 -0.293 1.00 0.00 C ATOM 1468 CE1 TYR A 802 16.127 0.178 0.015 1.00 0.00 C ATOM 1469 CE2 TYR A 802 14.684 -1.425 -1.008 1.00 0.00 C ATOM 1470 CZ TYR A 802 15.936 -0.871 -0.854 1.00 0.00 C ATOM 1471 OH TYR A 802 16.996 -1.363 -1.569 1.00 0.00 O ATOM 0 H TYR A 802 10.692 1.660 2.275 1.00 0.00 H new ATOM 0 HA TYR A 802 13.439 1.514 3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 802 12.172 -0.236 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 802 11.823 0.885 0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 802 15.201 1.493 1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 802 12.653 -1.366 -0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 802 17.108 0.612 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 802 14.535 -2.249 -1.690 1.00 0.00 H new ATOM 0 HH TYR A 802 17.674 -1.710 -0.952 1.00 0.00 H new ATOM 1481 N ASN A 803 12.668 3.457 0.624 1.00 0.00 N ATOM 1482 CA ASN A 803 13.146 4.559 -0.189 1.00 0.00 C ATOM 1483 C ASN A 803 13.242 5.867 0.572 1.00 0.00 C ATOM 1484 O ASN A 803 12.707 6.008 1.671 1.00 0.00 O ATOM 1485 CB ASN A 803 12.200 4.783 -1.357 1.00 0.00 C ATOM 1486 CG ASN A 803 12.898 4.718 -2.696 1.00 0.00 C ATOM 1487 OD1 ASN A 803 12.207 5.162 -3.734 1.00 0.00 O flip ATOM 1488 ND2 ASN A 803 14.034 4.257 -2.800 1.00 0.00 N flip ATOM 0 H ASN A 803 11.738 3.122 0.374 1.00 0.00 H new ATOM 0 HA ASN A 803 14.146 4.277 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 803 11.410 4.033 -1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 803 11.721 5.756 -1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 803 14.528 3.927 -1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 803 14.482 4.205 -3.715 1.00 0.00 H new ATOM 1495 N PRO A 804 14.021 6.802 0.006 1.00 0.00 N ATOM 1496 CA PRO A 804 14.139 8.176 0.481 1.00 0.00 C ATOM 1497 C PRO A 804 13.226 9.077 -0.366 1.00 0.00 C ATOM 1498 O PRO A 804 13.096 8.844 -1.568 1.00 0.00 O ATOM 1499 CB PRO A 804 15.595 8.484 0.180 1.00 0.00 C ATOM 1500 CG PRO A 804 15.827 7.786 -1.119 1.00 0.00 C ATOM 1501 CD PRO A 804 14.967 6.549 -1.095 1.00 0.00 C ATOM 0 HA PRO A 804 13.863 8.325 1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 804 15.772 9.556 0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 804 16.256 8.111 0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 804 15.561 8.428 -1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 804 16.879 7.526 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.449 6.403 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 804 15.560 5.652 -0.915 1.00 0.00 H new ATOM 1509 N PRO A 805 12.562 10.095 0.220 1.00 0.00 N ATOM 1510 CA PRO A 805 11.664 10.989 -0.535 1.00 0.00 C ATOM 1511 C PRO A 805 12.367 11.712 -1.687 1.00 0.00 C ATOM 1512 O PRO A 805 11.818 12.653 -2.261 1.00 0.00 O ATOM 1513 CB PRO A 805 11.205 12.007 0.511 1.00 0.00 C ATOM 1514 CG PRO A 805 11.399 11.324 1.814 1.00 0.00 C ATOM 1515 CD PRO A 805 12.611 10.455 1.644 1.00 0.00 C ATOM 0 HA PRO A 805 10.854 10.429 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 805 11.791 12.924 0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 805 10.162 12.285 0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 805 11.546 12.047 2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 805 10.525 10.729 2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 805 13.528 10.988 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 805 12.569 9.574 2.285 1.00 0.00 H new ATOM 1523 N GLU A 806 13.579 11.273 -2.019 1.00 0.00 N ATOM 1524 CA GLU A 806 14.359 11.880 -3.068 1.00 0.00 C ATOM 1525 C GLU A 806 14.654 10.894 -4.200 1.00 0.00 C ATOM 1526 O GLU A 806 14.858 11.301 -5.345 1.00 0.00 O ATOM 1527 CB GLU A 806 15.651 12.364 -2.444 1.00 0.00 C ATOM 1528 CG GLU A 806 16.854 11.884 -3.189 1.00 0.00 C ATOM 1529 CD GLU A 806 18.150 12.491 -2.689 1.00 0.00 C ATOM 1530 OE1 GLU A 806 18.754 11.918 -1.757 1.00 0.00 O ATOM 1531 OE2 GLU A 806 18.561 13.542 -3.227 1.00 0.00 O ATOM 0 H GLU A 806 14.038 10.486 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 806 13.801 12.705 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 806 15.653 13.454 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 806 15.705 12.020 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 806 16.914 10.799 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 806 16.735 12.118 -4.247 1.00 0.00 H new ATOM 1538 N SER A 807 14.674 9.605 -3.871 1.00 0.00 N ATOM 1539 CA SER A 807 14.980 8.564 -4.863 1.00 0.00 C ATOM 1540 C SER A 807 14.153 8.723 -6.124 1.00 0.00 C ATOM 1541 O SER A 807 14.548 9.421 -7.058 1.00 0.00 O ATOM 1542 CB SER A 807 14.754 7.170 -4.290 1.00 0.00 C ATOM 1543 OG SER A 807 15.973 6.598 -3.848 1.00 0.00 O ATOM 0 H SER A 807 14.484 9.252 -2.933 1.00 0.00 H new ATOM 0 HA SER A 807 16.033 8.683 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 807 14.051 7.224 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 807 14.302 6.530 -5.048 1.00 0.00 H new ATOM 0 HG SER A 807 15.874 5.625 -3.785 1.00 0.00 H new ATOM 1549 N GLU A 808 13.008 8.064 -6.146 1.00 0.00 N ATOM 1550 CA GLU A 808 12.126 8.112 -7.291 1.00 0.00 C ATOM 1551 C GLU A 808 10.742 7.623 -6.927 1.00 0.00 C ATOM 1552 O GLU A 808 9.747 8.293 -7.207 1.00 0.00 O ATOM 1553 CB GLU A 808 12.674 7.249 -8.425 1.00 0.00 C ATOM 1554 CG GLU A 808 13.401 8.030 -9.504 1.00 0.00 C ATOM 1555 CD GLU A 808 12.536 9.107 -10.128 1.00 0.00 C ATOM 1556 OE1 GLU A 808 11.823 8.804 -11.107 1.00 0.00 O ATOM 1557 OE2 GLU A 808 12.573 10.256 -9.638 1.00 0.00 O ATOM 0 H GLU A 808 12.669 7.487 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 808 12.066 9.150 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 808 13.355 6.508 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 808 11.849 6.702 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 808 14.293 8.488 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 808 13.736 7.343 -10.281 1.00 0.00 H new ATOM 1564 N TYR A 809 10.669 6.453 -6.300 1.00 0.00 N ATOM 1565 CA TYR A 809 9.375 5.905 -5.956 1.00 0.00 C ATOM 1566 C TYR A 809 8.818 6.407 -4.634 1.00 0.00 C ATOM 1567 O TYR A 809 7.608 6.356 -4.424 1.00 0.00 O ATOM 1568 CB TYR A 809 9.332 4.391 -6.025 1.00 0.00 C ATOM 1569 CG TYR A 809 10.282 3.621 -5.160 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.530 3.294 -5.635 1.00 0.00 C ATOM 1571 CD2 TYR A 809 9.912 3.160 -3.904 1.00 0.00 C ATOM 1572 CE1 TYR A 809 12.393 2.542 -4.906 1.00 0.00 C ATOM 1573 CE2 TYR A 809 10.783 2.401 -3.144 1.00 0.00 C ATOM 1574 CZ TYR A 809 12.028 2.089 -3.653 1.00 0.00 C ATOM 1575 OH TYR A 809 12.905 1.330 -2.912 1.00 0.00 O ATOM 0 H TYR A 809 11.471 5.884 -6.028 1.00 0.00 H new ATOM 0 HA TYR A 809 8.713 6.288 -6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 809 8.320 4.074 -5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.510 4.099 -7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 809 11.831 3.644 -6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 809 8.932 3.397 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 809 13.366 2.297 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 809 10.492 2.056 -2.163 1.00 0.00 H new ATOM 0 HH TYR A 809 12.469 1.042 -2.083 1.00 0.00 H new ATOM 1585 N TYR A 810 9.674 6.878 -3.740 1.00 0.00 N ATOM 1586 CA TYR A 810 9.188 7.380 -2.461 1.00 0.00 C ATOM 1587 C TYR A 810 8.086 8.414 -2.678 1.00 0.00 C ATOM 1588 O TYR A 810 6.960 8.239 -2.216 1.00 0.00 O ATOM 1589 CB TYR A 810 10.314 8.000 -1.635 1.00 0.00 C ATOM 1590 CG TYR A 810 9.951 8.183 -0.174 1.00 0.00 C ATOM 1591 CD1 TYR A 810 8.747 8.728 0.190 1.00 0.00 C ATOM 1592 CD2 TYR A 810 10.816 7.816 0.829 1.00 0.00 C ATOM 1593 CE1 TYR A 810 8.408 8.905 1.510 1.00 0.00 C ATOM 1594 CE2 TYR A 810 10.496 7.986 2.159 1.00 0.00 C ATOM 1595 CZ TYR A 810 9.285 8.533 2.495 1.00 0.00 C ATOM 1596 OH TYR A 810 8.952 8.709 3.818 1.00 0.00 O ATOM 0 H TYR A 810 10.685 6.924 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 810 8.787 6.530 -1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 810 11.199 7.368 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 810 10.578 8.968 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 810 8.049 9.025 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 810 11.771 7.383 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 810 7.453 9.336 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 810 11.193 7.691 2.929 1.00 0.00 H new ATOM 0 HH TYR A 810 9.686 8.391 4.385 1.00 0.00 H new ATOM 1606 N LYS A 811 8.407 9.497 -3.370 1.00 0.00 N ATOM 1607 CA LYS A 811 7.411 10.528 -3.624 1.00 0.00 C ATOM 1608 C LYS A 811 6.240 9.919 -4.350 1.00 0.00 C ATOM 1609 O LYS A 811 5.099 10.189 -4.024 1.00 0.00 O ATOM 1610 CB LYS A 811 7.979 11.664 -4.460 1.00 0.00 C ATOM 1611 CG LYS A 811 9.471 11.840 -4.312 1.00 0.00 C ATOM 1612 CD LYS A 811 10.060 12.596 -5.486 1.00 0.00 C ATOM 1613 CE LYS A 811 10.355 11.659 -6.642 1.00 0.00 C ATOM 1614 NZ LYS A 811 10.319 12.363 -7.953 1.00 0.00 N ATOM 0 H LYS A 811 9.331 9.684 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 811 7.097 10.937 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 811 7.746 11.483 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.483 12.593 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.685 12.377 -3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.947 10.863 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 811 9.365 13.371 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 811 10.977 13.098 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 811 11.336 11.206 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 811 9.627 10.848 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 10.526 11.687 -8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 9.375 12.774 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 11.031 13.121 -7.960 1.00 0.00 H new ATOM 1628 N CYS A 812 6.544 9.104 -5.349 1.00 0.00 N ATOM 1629 CA CYS A 812 5.520 8.424 -6.124 1.00 0.00 C ATOM 1630 C CYS A 812 4.588 7.657 -5.204 1.00 0.00 C ATOM 1631 O CYS A 812 3.424 7.436 -5.519 1.00 0.00 O ATOM 1632 CB CYS A 812 6.173 7.462 -7.108 1.00 0.00 C ATOM 1633 SG CYS A 812 6.793 8.245 -8.616 1.00 0.00 S ATOM 0 H CYS A 812 7.499 8.897 -5.643 1.00 0.00 H new ATOM 0 HA CYS A 812 4.943 9.168 -6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 812 7.000 6.956 -6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.449 6.695 -7.382 1.00 0.00 H new ATOM 0 HG CYS A 812 8.067 8.475 -8.493 1.00 0.00 H new ATOM 1639 N ALA A 813 5.111 7.253 -4.061 1.00 0.00 N ATOM 1640 CA ALA A 813 4.329 6.517 -3.087 1.00 0.00 C ATOM 1641 C ALA A 813 3.318 7.444 -2.451 1.00 0.00 C ATOM 1642 O ALA A 813 2.139 7.132 -2.369 1.00 0.00 O ATOM 1643 CB ALA A 813 5.238 5.907 -2.039 1.00 0.00 C ATOM 0 H ALA A 813 6.078 7.423 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 813 3.798 5.706 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 813 4.639 5.357 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 813 5.941 5.227 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 813 5.788 6.698 -1.530 1.00 0.00 H new ATOM 1649 N ASN A 814 3.807 8.592 -2.016 1.00 0.00 N ATOM 1650 CA ASN A 814 2.994 9.615 -1.405 1.00 0.00 C ATOM 1651 C ASN A 814 2.003 10.166 -2.428 1.00 0.00 C ATOM 1652 O ASN A 814 0.820 10.364 -2.146 1.00 0.00 O ATOM 1653 CB ASN A 814 3.928 10.718 -0.939 1.00 0.00 C ATOM 1654 CG ASN A 814 3.311 11.648 0.093 1.00 0.00 C ATOM 1655 OD1 ASN A 814 2.001 11.850 0.015 1.00 0.00 O flip ATOM 1656 ND2 ASN A 814 4.011 12.182 0.954 1.00 0.00 N flip ATOM 0 H ASN A 814 4.795 8.838 -2.081 1.00 0.00 H new ATOM 0 HA ASN A 814 2.428 9.211 -0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 814 4.826 10.267 -0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 814 4.241 11.305 -1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 814 5.014 12.001 0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 814 3.587 12.805 1.641 1.00 0.00 H new ATOM 1663 N ILE A 815 2.519 10.372 -3.631 1.00 0.00 N ATOM 1664 CA ILE A 815 1.752 10.903 -4.744 1.00 0.00 C ATOM 1665 C ILE A 815 0.599 9.974 -5.055 1.00 0.00 C ATOM 1666 O ILE A 815 -0.566 10.355 -4.966 1.00 0.00 O ATOM 1667 CB ILE A 815 2.651 11.067 -5.977 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.451 12.353 -5.863 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.835 11.054 -7.250 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.852 12.226 -6.383 1.00 0.00 C ATOM 0 H ILE A 815 3.492 10.173 -3.862 1.00 0.00 H new ATOM 0 HA ILE A 815 1.357 11.882 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 815 3.341 10.224 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 815 2.937 13.143 -6.411 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.485 12.661 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.497 11.172 -8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.302 10.107 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.117 11.874 -7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.369 13.179 -6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.381 11.458 -5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 815 4.825 11.948 -7.437 1.00 0.00 H new ATOM 1682 N LEU A 816 0.944 8.755 -5.436 1.00 0.00 N ATOM 1683 CA LEU A 816 -0.034 7.734 -5.690 1.00 0.00 C ATOM 1684 C LEU A 816 -0.993 7.665 -4.521 1.00 0.00 C ATOM 1685 O LEU A 816 -2.196 7.796 -4.682 1.00 0.00 O ATOM 1686 CB LEU A 816 0.680 6.404 -5.855 1.00 0.00 C ATOM 1687 CG LEU A 816 -0.002 5.417 -6.767 1.00 0.00 C ATOM 1688 CD1 LEU A 816 0.767 4.133 -6.784 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -1.410 5.219 -6.320 1.00 0.00 C ATOM 0 H LEU A 816 1.909 8.455 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 816 -0.593 7.962 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 816 1.683 6.594 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.794 5.947 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 816 -0.027 5.800 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 816 0.272 3.421 -7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 816 1.779 4.319 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 816 0.812 3.722 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -1.904 4.505 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -1.417 4.836 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -1.940 6.171 -6.354 1.00 0.00 H new ATOM 1701 N GLU A 817 -0.428 7.486 -3.342 1.00 0.00 N ATOM 1702 CA GLU A 817 -1.202 7.398 -2.115 1.00 0.00 C ATOM 1703 C GLU A 817 -2.276 8.494 -2.052 1.00 0.00 C ATOM 1704 O GLU A 817 -3.321 8.318 -1.431 1.00 0.00 O ATOM 1705 CB GLU A 817 -0.262 7.522 -0.923 1.00 0.00 C ATOM 1706 CG GLU A 817 -0.911 7.126 0.391 1.00 0.00 C ATOM 1707 CD GLU A 817 0.050 7.164 1.562 1.00 0.00 C ATOM 1708 OE1 GLU A 817 0.789 6.176 1.757 1.00 0.00 O ATOM 1709 OE2 GLU A 817 0.061 8.181 2.286 1.00 0.00 O ATOM 0 H GLU A 817 0.579 7.397 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 817 -1.710 6.434 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 817 0.614 6.896 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 817 0.091 8.551 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -1.747 7.795 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -1.322 6.121 0.298 1.00 0.00 H new ATOM 1716 N LYS A 818 -2.004 9.636 -2.674 1.00 0.00 N ATOM 1717 CA LYS A 818 -2.962 10.740 -2.706 1.00 0.00 C ATOM 1718 C LYS A 818 -4.042 10.468 -3.752 1.00 0.00 C ATOM 1719 O LYS A 818 -5.232 10.427 -3.435 1.00 0.00 O ATOM 1720 CB LYS A 818 -2.243 12.042 -3.023 1.00 0.00 C ATOM 1721 CG LYS A 818 -1.295 12.501 -1.930 1.00 0.00 C ATOM 1722 CD LYS A 818 -0.104 13.242 -2.505 1.00 0.00 C ATOM 1723 CE LYS A 818 -0.457 14.683 -2.796 1.00 0.00 C ATOM 1724 NZ LYS A 818 -0.301 15.547 -1.592 1.00 0.00 N ATOM 0 H LYS A 818 -1.129 9.823 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.435 10.826 -1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.682 11.920 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -2.984 12.822 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -1.827 13.149 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -0.948 11.638 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 818 0.729 13.202 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 818 0.227 12.752 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 818 0.180 15.058 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.485 14.740 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -0.553 16.527 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -0.927 15.205 -0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 0.686 15.513 -1.266 1.00 0.00 H new ATOM 1738 N PHE A 819 -3.616 10.297 -5.005 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.535 9.989 -6.097 1.00 0.00 C ATOM 1740 C PHE A 819 -5.397 8.822 -5.656 1.00 0.00 C ATOM 1741 O PHE A 819 -6.623 8.901 -5.626 1.00 0.00 O ATOM 1742 CB PHE A 819 -3.717 9.630 -7.342 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.449 8.866 -8.424 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.813 7.538 -8.237 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -4.725 9.460 -9.645 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.431 6.824 -9.226 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -5.359 8.747 -10.648 1.00 0.00 C ATOM 1748 CZ PHE A 819 -5.711 7.425 -10.439 1.00 0.00 C ATOM 0 H PHE A 819 -2.638 10.367 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 819 -5.173 10.839 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.330 10.552 -7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -2.856 9.040 -7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.604 7.060 -7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -4.443 10.488 -9.816 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.700 5.791 -9.060 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -5.579 9.222 -11.593 1.00 0.00 H new ATOM 0 HZ PHE A 819 -6.203 6.865 -11.221 1.00 0.00 H new ATOM 1758 N PHE A 820 -4.711 7.735 -5.335 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.333 6.537 -4.825 1.00 0.00 C ATOM 1760 C PHE A 820 -6.341 6.922 -3.767 1.00 0.00 C ATOM 1761 O PHE A 820 -7.479 6.497 -3.836 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.239 5.603 -4.311 1.00 0.00 C ATOM 1763 CG PHE A 820 -4.477 4.939 -3.003 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -4.068 5.473 -1.806 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -5.052 3.727 -3.003 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -4.267 4.775 -0.628 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -5.242 3.022 -1.866 1.00 0.00 C ATOM 1768 CZ PHE A 820 -4.859 3.535 -0.667 1.00 0.00 C ATOM 0 H PHE A 820 -3.697 7.666 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 820 -5.878 5.999 -5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -4.077 4.828 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.313 6.174 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -3.589 6.441 -1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -5.373 3.301 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -3.959 5.201 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -5.701 2.045 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 820 -5.018 2.976 0.243 1.00 0.00 H new ATOM 1778 N PHE A 821 -5.939 7.796 -2.841 1.00 0.00 N ATOM 1779 CA PHE A 821 -6.838 8.237 -1.780 1.00 0.00 C ATOM 1780 C PHE A 821 -8.148 8.789 -2.312 1.00 0.00 C ATOM 1781 O PHE A 821 -9.189 8.613 -1.687 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.151 9.233 -0.859 1.00 0.00 C ATOM 1783 CG PHE A 821 -5.931 8.649 0.499 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -5.330 7.429 0.579 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.347 9.271 1.663 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -5.125 6.797 1.777 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.143 8.658 2.890 1.00 0.00 C ATOM 1788 CZ PHE A 821 -5.530 7.413 2.947 1.00 0.00 C ATOM 0 H PHE A 821 -5.006 8.207 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.091 7.352 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.195 9.531 -1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -6.758 10.135 -0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -5.005 6.945 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -6.831 10.235 1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -4.652 5.827 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.460 9.147 3.799 1.00 0.00 H new ATOM 0 HZ PHE A 821 -5.371 6.929 3.899 1.00 0.00 H new ATOM 1798 N SER A 822 -8.109 9.447 -3.457 1.00 0.00 N ATOM 1799 CA SER A 822 -9.331 9.983 -4.039 1.00 0.00 C ATOM 1800 C SER A 822 -10.110 8.877 -4.755 1.00 0.00 C ATOM 1801 O SER A 822 -11.321 8.981 -4.936 1.00 0.00 O ATOM 1802 CB SER A 822 -9.019 11.133 -4.997 1.00 0.00 C ATOM 1803 OG SER A 822 -8.410 12.215 -4.314 1.00 0.00 O ATOM 0 H SER A 822 -7.261 9.622 -3.996 1.00 0.00 H new ATOM 0 HA SER A 822 -9.951 10.376 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.358 10.781 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 822 -9.938 11.472 -5.475 1.00 0.00 H new ATOM 0 HG SER A 822 -8.219 12.937 -4.949 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.400 7.821 -5.157 1.00 0.00 N ATOM 1810 CA LYS A 823 -10.019 6.674 -5.828 1.00 0.00 C ATOM 1811 C LYS A 823 -10.811 5.876 -4.821 1.00 0.00 C ATOM 1812 O LYS A 823 -12.016 5.696 -4.957 1.00 0.00 O ATOM 1813 CB LYS A 823 -8.932 5.807 -6.462 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.068 6.557 -7.439 1.00 0.00 C ATOM 1815 CD LYS A 823 -8.887 7.261 -8.487 1.00 0.00 C ATOM 1816 CE LYS A 823 -8.406 8.673 -8.684 1.00 0.00 C ATOM 1817 NZ LYS A 823 -8.657 9.515 -7.486 1.00 0.00 N ATOM 0 H LYS A 823 -8.392 7.736 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.692 7.021 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.303 5.392 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.400 4.965 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.461 7.286 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.380 5.863 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -8.825 6.717 -9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -9.936 7.268 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -7.339 8.666 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -8.908 9.111 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -8.406 10.502 -7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -9.663 9.461 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -8.078 9.172 -6.693 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.115 5.391 -3.819 1.00 0.00 N ATOM 1832 CA ILE A 824 -10.748 4.669 -2.737 1.00 0.00 C ATOM 1833 C ILE A 824 -11.912 5.491 -2.217 1.00 0.00 C ATOM 1834 O ILE A 824 -13.026 5.002 -2.049 1.00 0.00 O ATOM 1835 CB ILE A 824 -9.769 4.451 -1.602 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -8.751 5.538 -1.613 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -9.107 3.104 -1.724 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -7.581 5.273 -0.737 1.00 0.00 C ATOM 0 H ILE A 824 -9.103 5.484 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 824 -11.089 3.702 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 824 -10.308 4.474 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -8.402 5.686 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -9.224 6.469 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -8.407 2.966 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -9.865 2.322 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -8.568 3.048 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -6.884 6.109 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -7.917 5.155 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -7.082 4.360 -1.062 1.00 0.00 H new ATOM 1850 N LYS A 825 -11.623 6.771 -2.007 1.00 0.00 N ATOM 1851 CA LYS A 825 -12.599 7.734 -1.511 1.00 0.00 C ATOM 1852 C LYS A 825 -13.849 7.670 -2.360 1.00 0.00 C ATOM 1853 O LYS A 825 -14.969 7.531 -1.868 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.035 9.155 -1.619 1.00 0.00 C ATOM 1855 CG LYS A 825 -11.686 9.812 -0.297 1.00 0.00 C ATOM 1856 CD LYS A 825 -12.881 10.504 0.320 1.00 0.00 C ATOM 1857 CE LYS A 825 -13.686 9.541 1.169 1.00 0.00 C ATOM 1858 NZ LYS A 825 -15.050 10.061 1.463 1.00 0.00 N ATOM 0 H LYS A 825 -10.700 7.171 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 825 -12.824 7.494 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -11.140 9.128 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -12.763 9.780 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.306 9.059 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -10.886 10.536 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.545 11.341 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -13.513 10.917 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.766 8.584 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.159 9.356 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.445 9.556 2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -14.996 11.078 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -15.664 9.913 0.636 1.00 0.00 H new ATOM 1872 N GLU A 826 -13.610 7.777 -3.656 1.00 0.00 N ATOM 1873 CA GLU A 826 -14.656 7.762 -4.658 1.00 0.00 C ATOM 1874 C GLU A 826 -15.423 6.455 -4.624 1.00 0.00 C ATOM 1875 O GLU A 826 -16.631 6.419 -4.858 1.00 0.00 O ATOM 1876 CB GLU A 826 -14.022 7.955 -6.042 1.00 0.00 C ATOM 1877 CG GLU A 826 -13.977 6.683 -6.866 1.00 0.00 C ATOM 1878 CD GLU A 826 -13.154 6.828 -8.131 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -13.627 7.499 -9.073 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -12.038 6.271 -8.181 1.00 0.00 O ATOM 0 H GLU A 826 -12.672 7.878 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.357 8.570 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.583 8.713 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -13.008 8.336 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -13.563 5.878 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -14.993 6.392 -7.131 1.00 0.00 H new ATOM 1887 N ALA A 827 -14.708 5.385 -4.328 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.299 4.068 -4.303 1.00 0.00 C ATOM 1889 C ALA A 827 -15.766 3.653 -2.912 1.00 0.00 C ATOM 1890 O ALA A 827 -15.942 2.469 -2.646 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.296 3.076 -4.843 1.00 0.00 C ATOM 0 H ALA A 827 -13.714 5.407 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.192 4.087 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.730 2.076 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -14.034 3.344 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.400 3.091 -4.223 1.00 0.00 H new ATOM 1897 N GLY A 828 -15.988 4.627 -2.037 1.00 0.00 N ATOM 1898 CA GLY A 828 -16.427 4.318 -0.687 1.00 0.00 C ATOM 1899 C GLY A 828 -15.511 3.322 -0.009 1.00 0.00 C ATOM 1900 O GLY A 828 -15.966 2.407 0.677 1.00 0.00 O ATOM 0 H GLY A 828 -15.873 5.621 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -16.465 5.235 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -17.440 3.917 -0.718 1.00 0.00 H new ATOM 1904 N LEU A 829 -14.217 3.518 -0.194 1.00 0.00 N ATOM 1905 CA LEU A 829 -13.207 2.634 0.359 1.00 0.00 C ATOM 1906 C LEU A 829 -12.770 3.116 1.729 1.00 0.00 C ATOM 1907 O LEU A 829 -13.514 2.970 2.696 1.00 0.00 O ATOM 1908 CB LEU A 829 -12.046 2.575 -0.629 1.00 0.00 C ATOM 1909 CG LEU A 829 -12.426 1.966 -1.984 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -11.282 1.248 -2.625 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -13.593 1.005 -1.857 1.00 0.00 C ATOM 0 H LEU A 829 -13.837 4.296 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 829 -13.607 1.630 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -11.663 3.583 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -11.236 1.991 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 829 -12.712 2.807 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -11.602 0.835 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -10.460 1.945 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -10.949 0.440 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -13.834 0.593 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -13.325 0.195 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -14.460 1.536 -1.463 1.00 0.00 H new ATOM 1923 N ILE A 830 -11.577 3.700 1.787 1.00 0.00 N ATOM 1924 CA ILE A 830 -11.012 4.250 2.999 1.00 0.00 C ATOM 1925 C ILE A 830 -11.878 4.005 4.248 1.00 0.00 C ATOM 1926 O ILE A 830 -12.031 2.857 4.668 1.00 0.00 O ATOM 1927 CB ILE A 830 -10.736 5.729 2.736 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.767 5.949 1.233 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -9.379 6.107 3.258 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -10.027 7.164 0.777 1.00 0.00 C ATOM 0 H ILE A 830 -10.970 3.802 0.974 1.00 0.00 H new ATOM 0 HA ILE A 830 -10.082 3.734 3.239 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.486 6.340 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -10.344 5.074 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -11.805 6.027 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -9.196 7.164 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -9.338 5.923 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -8.617 5.509 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -10.098 7.248 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -10.463 8.050 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.979 7.082 1.066 1.00 0.00 H new ATOM 1942 N ASP A 831 -12.421 5.060 4.857 1.00 0.00 N ATOM 1943 CA ASP A 831 -13.266 4.920 6.035 1.00 0.00 C ATOM 1944 C ASP A 831 -12.522 4.281 7.211 1.00 0.00 C ATOM 1945 O ASP A 831 -13.080 4.150 8.302 1.00 0.00 O ATOM 1946 CB ASP A 831 -14.518 4.102 5.704 1.00 0.00 C ATOM 1947 CG ASP A 831 -15.456 4.835 4.765 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -16.169 5.747 5.231 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -15.480 4.494 3.564 1.00 0.00 O ATOM 0 H ASP A 831 -12.287 6.023 4.549 1.00 0.00 H new ATOM 0 HA ASP A 831 -13.558 5.926 6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -14.221 3.156 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -15.046 3.862 6.627 1.00 0.00 H new ATOM 1954 N LYS A 832 -11.269 3.882 6.991 1.00 0.00 N ATOM 1955 CA LYS A 832 -10.466 3.263 8.040 1.00 0.00 C ATOM 1956 C LYS A 832 -10.417 4.142 9.289 1.00 0.00 C ATOM 1957 O LYS A 832 -11.138 3.827 10.259 1.00 0.00 O ATOM 1958 CB LYS A 832 -9.046 2.988 7.533 1.00 0.00 C ATOM 1959 CG LYS A 832 -8.428 4.157 6.782 1.00 0.00 C ATOM 1960 CD LYS A 832 -6.961 3.906 6.470 1.00 0.00 C ATOM 1961 CE LYS A 832 -6.359 5.049 5.670 1.00 0.00 C ATOM 1962 NZ LYS A 832 -4.884 4.911 5.527 1.00 0.00 N ATOM 1963 OXT LYS A 832 -9.664 5.138 9.285 1.00 0.00 O ATOM 0 H LYS A 832 -10.790 3.977 6.095 1.00 0.00 H new ATOM 0 HA LYS A 832 -10.937 2.317 8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 832 -8.410 2.735 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 832 -9.066 2.117 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 832 -8.975 4.325 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 832 -8.524 5.065 7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 832 -6.407 3.780 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 832 -6.861 2.976 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 832 -6.818 5.081 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 832 -6.589 5.995 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 832 -4.421 5.787 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 832 -4.552 4.116 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 832 -4.647 4.733 4.530 1.00 0.00 H new TER 1977 LYS A 832 ATOM 1978 N SER B 31 11.283 8.891 -19.789 1.00 0.00 N ATOM 1979 CA SER B 31 12.249 8.387 -18.779 1.00 0.00 C ATOM 1980 C SER B 31 11.565 7.445 -17.793 1.00 0.00 C ATOM 1981 O SER B 31 10.847 7.885 -16.895 1.00 0.00 O ATOM 1982 CB SER B 31 12.880 9.557 -18.022 1.00 0.00 C ATOM 1983 OG SER B 31 13.548 10.437 -18.909 1.00 0.00 O ATOM 0 HA SER B 31 13.029 7.834 -19.303 1.00 0.00 H new ATOM 0 HB2 SER B 31 12.108 10.101 -17.478 1.00 0.00 H new ATOM 0 HB3 SER B 31 13.584 9.178 -17.282 1.00 0.00 H new ATOM 0 HG SER B 31 13.107 10.416 -19.784 1.00 0.00 H new ATOM 1991 N THR B 32 11.793 6.147 -17.969 1.00 0.00 N ATOM 1992 CA THR B 32 11.202 5.141 -17.094 1.00 0.00 C ATOM 1993 C THR B 32 12.263 4.498 -16.208 1.00 0.00 C ATOM 1994 O THR B 32 13.458 4.731 -16.387 1.00 0.00 O ATOM 1995 CB THR B 32 10.490 4.042 -17.904 1.00 0.00 C ATOM 1996 OG1 THR B 32 11.433 3.360 -18.741 1.00 0.00 O ATOM 1997 CG2 THR B 32 9.382 4.633 -18.761 1.00 0.00 C ATOM 0 H THR B 32 12.383 5.768 -18.710 1.00 0.00 H new ATOM 0 HA THR B 32 10.470 5.652 -16.469 1.00 0.00 H new ATOM 0 HB THR B 32 10.048 3.335 -17.202 1.00 0.00 H new ATOM 0 HG1 THR B 32 10.972 2.662 -19.251 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.894 3.837 -19.324 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.651 5.126 -18.121 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.806 5.360 -19.454 1.00 0.00 H new ATOM 2005 N GLY B 33 11.819 3.688 -15.250 1.00 0.00 N ATOM 2006 CA GLY B 33 12.749 3.029 -14.351 1.00 0.00 C ATOM 2007 C GLY B 33 12.321 1.618 -13.994 1.00 0.00 C ATOM 2008 O GLY B 33 11.130 1.338 -13.856 1.00 0.00 O ATOM 0 H GLY B 33 10.835 3.477 -15.081 1.00 0.00 H new ATOM 0 HA2 GLY B 33 13.735 2.998 -14.814 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.844 3.617 -13.438 1.00 0.00 H new ATOM 2012 N GLY B 34 13.300 0.730 -13.848 1.00 0.00 N ATOM 2013 CA GLY B 34 13.013 -0.649 -13.502 1.00 0.00 C ATOM 2014 C GLY B 34 14.159 -1.301 -12.755 1.00 0.00 C ATOM 2015 O GLY B 34 14.493 -2.460 -13.002 1.00 0.00 O ATOM 0 H GLY B 34 14.291 0.943 -13.964 1.00 0.00 H new ATOM 0 HA2 GLY B 34 12.113 -0.688 -12.889 1.00 0.00 H new ATOM 0 HA3 GLY B 34 12.805 -1.214 -14.410 1.00 0.00 H new ATOM 2019 N VAL B 35 14.762 -0.550 -11.837 1.00 0.00 N ATOM 2020 CA VAL B 35 15.883 -1.050 -11.050 1.00 0.00 C ATOM 2021 C VAL B 35 15.595 -0.959 -9.556 1.00 0.00 C ATOM 2022 O VAL B 35 16.443 -1.298 -8.732 1.00 0.00 O ATOM 2023 CB VAL B 35 17.169 -0.259 -11.354 1.00 0.00 C ATOM 2024 CG1 VAL B 35 17.555 -0.411 -12.818 1.00 0.00 C ATOM 2025 CG2 VAL B 35 16.987 1.212 -10.993 1.00 0.00 C ATOM 0 H VAL B 35 14.491 0.409 -11.620 1.00 0.00 H new ATOM 0 HA VAL B 35 16.023 -2.095 -11.327 1.00 0.00 H new ATOM 0 HB VAL B 35 17.977 -0.664 -10.745 1.00 0.00 H new ATOM 0 HG11 VAL B 35 18.466 0.155 -13.015 1.00 0.00 H new ATOM 0 HG12 VAL B 35 17.726 -1.464 -13.042 1.00 0.00 H new ATOM 0 HG13 VAL B 35 16.750 -0.033 -13.448 1.00 0.00 H new ATOM 0 HG21 VAL B 35 17.905 1.757 -11.214 1.00 0.00 H new ATOM 0 HG22 VAL B 35 16.167 1.631 -11.576 1.00 0.00 H new ATOM 0 HG23 VAL B 35 16.759 1.300 -9.931 1.00 0.00 H new HETATM 2035 OH ALY B 36 10.300 0.826 -5.581 1.00 0.00 O HETATM 2036 CH ALY B 36 9.725 -0.141 -5.083 1.00 0.00 C HETATM 2037 CH3 ALY B 36 8.208 -0.093 -4.899 1.00 0.00 C HETATM 2038 NZ ALY B 36 10.366 -1.254 -4.754 1.00 0.00 N HETATM 2039 CE ALY B 36 11.659 -1.275 -4.081 1.00 0.00 C HETATM 2040 CD ALY B 36 12.794 -1.002 -5.048 1.00 0.00 C HETATM 2041 CG ALY B 36 12.724 -1.904 -6.252 1.00 0.00 C HETATM 2042 CB ALY B 36 13.951 -1.717 -7.114 1.00 0.00 C HETATM 2043 CA ALY B 36 13.985 -0.354 -7.824 1.00 0.00 C HETATM 2044 N ALY B 36 14.394 -0.503 -9.218 1.00 0.00 N HETATM 2045 C ALY B 36 14.905 0.620 -7.096 1.00 0.00 C HETATM 2046 O ALY B 36 15.126 0.495 -5.892 1.00 0.00 O HETATM 0 HH33 ALY B 36 7.947 0.742 -4.249 1.00 0.00 H new HETATM 0 HH32 ALY B 36 7.728 0.038 -5.869 1.00 0.00 H new HETATM 0 HH31 ALY B 36 7.867 -1.025 -4.448 1.00 0.00 H new HETATM 0 HZ ALY B 36 9.930 -2.146 -4.985 1.00 0.00 H new HETATM 0 HG3 ALY B 36 11.827 -1.683 -6.830 1.00 0.00 H new HETATM 0 HG2 ALY B 36 12.649 -2.944 -5.933 1.00 0.00 H new HETATM 0 HE3 ALY B 36 11.808 -2.246 -3.608 1.00 0.00 H new HETATM 0 HE2 ALY B 36 11.669 -0.528 -3.287 1.00 0.00 H new HETATM 0 HD3 ALY B 36 13.748 -1.145 -4.540 1.00 0.00 H new HETATM 0 HD2 ALY B 36 12.757 0.039 -5.369 1.00 0.00 H new HETATM 0 HCA ALY B 36 12.975 0.056 -7.806 1.00 0.00 H new HETATM 0 HB3 ALY B 36 13.988 -2.510 -7.861 1.00 0.00 H new HETATM 0 HB2 ALY B 36 14.842 -1.820 -6.495 1.00 0.00 H new ATOM 2061 N LYS B 37 15.423 1.598 -7.850 1.00 0.00 N ATOM 2062 CA LYS B 37 16.314 2.630 -7.314 1.00 0.00 C ATOM 2063 C LYS B 37 17.056 2.149 -6.073 1.00 0.00 C ATOM 2064 O LYS B 37 16.735 2.557 -4.956 1.00 0.00 O ATOM 2065 CB LYS B 37 15.518 3.895 -6.989 1.00 0.00 C ATOM 2066 CG LYS B 37 15.156 4.715 -8.216 1.00 0.00 C ATOM 2067 CD LYS B 37 16.013 5.970 -8.328 1.00 0.00 C ATOM 2068 CE LYS B 37 17.481 5.632 -8.549 1.00 0.00 C ATOM 2069 NZ LYS B 37 18.329 6.854 -8.617 1.00 0.00 N ATOM 0 H LYS B 37 15.235 1.694 -8.848 1.00 0.00 H new ATOM 0 HA LYS B 37 17.057 2.854 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS B 37 14.604 3.615 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS B 37 16.099 4.515 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS B 37 15.283 4.106 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS B 37 14.104 4.996 -8.169 1.00 0.00 H new ATOM 0 HD2 LYS B 37 15.653 6.584 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS B 37 15.909 6.564 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS B 37 17.832 4.992 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS B 37 17.587 5.065 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 19.321 6.580 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 18.011 7.454 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 18.248 7.383 -7.725 1.00 0.00 H new ATOM 2083 N PRO B 38 18.055 1.268 -6.254 1.00 0.00 N ATOM 2084 CA PRO B 38 18.836 0.725 -5.149 1.00 0.00 C ATOM 2085 C PRO B 38 19.330 1.792 -4.184 1.00 0.00 C ATOM 2086 O PRO B 38 20.342 2.450 -4.432 1.00 0.00 O ATOM 2087 CB PRO B 38 20.017 0.061 -5.860 1.00 0.00 C ATOM 2088 CG PRO B 38 19.452 -0.371 -7.159 1.00 0.00 C ATOM 2089 CD PRO B 38 18.502 0.719 -7.549 1.00 0.00 C ATOM 0 HA PRO B 38 18.245 0.051 -4.529 1.00 0.00 H new ATOM 0 HB2 PRO B 38 20.845 0.757 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO B 38 20.402 -0.785 -5.291 1.00 0.00 H new ATOM 0 HG2 PRO B 38 20.235 -0.499 -7.907 1.00 0.00 H new ATOM 0 HG3 PRO B 38 18.939 -1.328 -7.068 1.00 0.00 H new ATOM 0 HD2 PRO B 38 18.991 1.478 -8.159 1.00 0.00 H new ATOM 0 HD3 PRO B 38 17.665 0.333 -8.131 1.00 0.00 H new ATOM 2097 N HIS B 39 18.609 1.958 -3.083 1.00 0.00 N ATOM 2098 CA HIS B 39 18.984 2.931 -2.071 1.00 0.00 C ATOM 2099 C HIS B 39 19.565 2.222 -0.849 1.00 0.00 C ATOM 2100 O HIS B 39 19.198 1.087 -0.544 1.00 0.00 O ATOM 2101 CB HIS B 39 17.784 3.800 -1.684 1.00 0.00 C ATOM 2102 CG HIS B 39 18.008 4.582 -0.426 1.00 0.00 C ATOM 2103 ND1 HIS B 39 17.856 4.045 0.834 1.00 0.00 N ATOM 2104 CD2 HIS B 39 18.398 5.865 -0.239 1.00 0.00 C ATOM 2105 CE1 HIS B 39 18.140 4.963 1.740 1.00 0.00 C ATOM 2106 NE2 HIS B 39 18.473 6.075 1.115 1.00 0.00 N ATOM 0 H HIS B 39 17.762 1.431 -2.870 1.00 0.00 H new ATOM 0 HA HIS B 39 19.750 3.587 -2.484 1.00 0.00 H new ATOM 0 HB2 HIS B 39 17.564 4.489 -2.499 1.00 0.00 H new ATOM 0 HB3 HIS B 39 16.908 3.164 -1.559 1.00 0.00 H new ATOM 0 HD2 HIS B 39 18.611 6.589 -1.012 1.00 0.00 H new ATOM 0 HE1 HIS B 39 18.105 4.826 2.811 1.00 0.00 H new ATOM 0 HE2 HIS B 39 18.743 6.950 1.565 1.00 0.00 H new ATOM 2115 N ARG B 40 20.477 2.897 -0.156 1.00 0.00 N ATOM 2116 CA ARG B 40 21.133 2.326 1.016 1.00 0.00 C ATOM 2117 C ARG B 40 20.220 2.285 2.239 1.00 0.00 C ATOM 2118 O ARG B 40 20.218 3.206 3.057 1.00 0.00 O ATOM 2119 CB ARG B 40 22.400 3.119 1.343 1.00 0.00 C ATOM 2120 CG ARG B 40 23.486 2.990 0.288 1.00 0.00 C ATOM 2121 CD ARG B 40 24.737 3.760 0.677 1.00 0.00 C ATOM 2122 NE ARG B 40 24.486 5.195 0.782 1.00 0.00 N ATOM 2123 CZ ARG B 40 25.430 6.091 1.056 1.00 0.00 C ATOM 2124 NH1 ARG B 40 26.680 5.698 1.266 1.00 0.00 N ATOM 2125 NH2 ARG B 40 25.126 7.379 1.122 1.00 0.00 N ATOM 0 H ARG B 40 20.779 3.843 -0.387 1.00 0.00 H new ATOM 0 HA ARG B 40 21.389 1.296 0.769 1.00 0.00 H new ATOM 0 HB2 ARG B 40 22.140 4.171 1.459 1.00 0.00 H new ATOM 0 HB3 ARG B 40 22.794 2.780 2.301 1.00 0.00 H new ATOM 0 HG2 ARG B 40 23.734 1.938 0.147 1.00 0.00 H new ATOM 0 HG3 ARG B 40 23.112 3.360 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG B 40 25.111 3.387 1.630 1.00 0.00 H new ATOM 0 HD3 ARG B 40 25.517 3.582 -0.063 1.00 0.00 H new ATOM 0 HE ARG B 40 23.533 5.529 0.637 1.00 0.00 H new ATOM 0 HH11 ARG B 40 26.918 4.707 1.217 1.00 0.00 H new ATOM 0 HH12 ARG B 40 27.403 6.387 1.476 1.00 0.00 H new ATOM 0 HH21 ARG B 40 24.166 7.685 0.963 1.00 0.00 H new ATOM 0 HH22 ARG B 40 25.852 8.064 1.332 1.00 0.00 H new ATOM 2139 N TYR B 41 19.448 1.207 2.361 1.00 0.00 N ATOM 2140 CA TYR B 41 18.557 1.024 3.503 1.00 0.00 C ATOM 2141 C TYR B 41 18.661 -0.403 4.014 1.00 0.00 C ATOM 2142 O TYR B 41 17.687 -0.980 4.498 1.00 0.00 O ATOM 2143 CB TYR B 41 17.103 1.352 3.146 1.00 0.00 C ATOM 2144 CG TYR B 41 16.390 2.129 4.232 1.00 0.00 C ATOM 2145 CD1 TYR B 41 16.915 3.323 4.715 1.00 0.00 C ATOM 2146 CD2 TYR B 41 15.205 1.666 4.786 1.00 0.00 C ATOM 2147 CE1 TYR B 41 16.277 4.032 5.714 1.00 0.00 C ATOM 2148 CE2 TYR B 41 14.561 2.368 5.787 1.00 0.00 C ATOM 2149 CZ TYR B 41 15.101 3.549 6.247 1.00 0.00 C ATOM 2150 OH TYR B 41 14.464 4.250 7.245 1.00 0.00 O ATOM 0 H TYR B 41 19.422 0.447 1.682 1.00 0.00 H new ATOM 0 HA TYR B 41 18.868 1.716 4.286 1.00 0.00 H new ATOM 0 HB2 TYR B 41 17.083 1.928 2.221 1.00 0.00 H new ATOM 0 HB3 TYR B 41 16.563 0.425 2.956 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.838 3.702 4.302 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.778 0.740 4.428 1.00 0.00 H new ATOM 0 HE1 TYR B 41 16.697 4.959 6.075 1.00 0.00 H new ATOM 0 HE2 TYR B 41 13.639 1.993 6.207 1.00 0.00 H new ATOM 0 HH TYR B 41 13.649 3.775 7.509 1.00 0.00 H new ATOM 2160 N LYS B 42 19.860 -0.965 3.901 1.00 0.00 N ATOM 2161 CA LYS B 42 20.110 -2.329 4.337 1.00 0.00 C ATOM 2162 C LYS B 42 21.495 -2.462 4.963 1.00 0.00 C ATOM 2163 O LYS B 42 22.252 -1.494 5.035 1.00 0.00 O ATOM 2164 CB LYS B 42 19.961 -3.289 3.154 1.00 0.00 C ATOM 2165 CG LYS B 42 20.738 -2.869 1.912 1.00 0.00 C ATOM 2166 CD LYS B 42 22.204 -3.279 1.984 1.00 0.00 C ATOM 2167 CE LYS B 42 22.367 -4.791 1.990 1.00 0.00 C ATOM 2168 NZ LYS B 42 21.745 -5.421 0.792 1.00 0.00 N ATOM 0 H LYS B 42 20.675 -0.493 3.509 1.00 0.00 H new ATOM 0 HA LYS B 42 19.375 -2.587 5.100 1.00 0.00 H new ATOM 0 HB2 LYS B 42 20.294 -4.281 3.460 1.00 0.00 H new ATOM 0 HB3 LYS B 42 18.905 -3.372 2.898 1.00 0.00 H new ATOM 0 HG2 LYS B 42 20.280 -3.317 1.030 1.00 0.00 H new ATOM 0 HG3 LYS B 42 20.670 -1.788 1.792 1.00 0.00 H new ATOM 0 HD2 LYS B 42 22.741 -2.859 1.134 1.00 0.00 H new ATOM 0 HD3 LYS B 42 22.655 -2.861 2.884 1.00 0.00 H new ATOM 0 HE2 LYS B 42 23.427 -5.042 2.023 1.00 0.00 H new ATOM 0 HE3 LYS B 42 21.914 -5.201 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 22.100 -6.393 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 20.712 -5.441 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 21.988 -4.870 -0.056 1.00 0.00 H new ATOM 2182 N CYS B 43 21.819 -3.670 5.414 1.00 0.00 N ATOM 2183 CA CYS B 43 23.113 -3.936 6.034 1.00 0.00 C ATOM 2184 C CYS B 43 23.681 -5.269 5.555 1.00 0.00 C ATOM 2185 O CYS B 43 23.366 -6.305 6.179 1.00 0.00 O ATOM 2186 CB CYS B 43 22.983 -3.940 7.559 1.00 0.00 C ATOM 2187 SG CYS B 43 24.535 -4.256 8.431 1.00 0.00 S ATOM 2188 OXT CYS B 43 24.434 -5.267 4.558 1.00 0.00 O ATOM 0 H CYS B 43 21.203 -4.481 5.362 1.00 0.00 H new ATOM 0 HA CYS B 43 23.799 -3.142 5.739 1.00 0.00 H new ATOM 0 HB2 CYS B 43 22.587 -2.977 7.882 1.00 0.00 H new ATOM 0 HB3 CYS B 43 22.255 -4.698 7.849 1.00 0.00 H new ATOM 0 HG CYS B 43 24.324 -4.238 9.714 1.00 0.00 H new TER 2194 CYS B 43