USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 919 hydrogens (0 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 Set 1.1: A 13 LYS NZ :NH3+ -169:sc= 1.44 (180deg=0.592) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.473 K(o=1.9,f=-2.5) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -129:sc= 0.355 (180deg=-0.652) USER MOD Set 2.2: A 103 CYS SG : rot -66:sc= -1.05 USER MOD Set 3.1: A 43 SER OG : rot -114:sc= 1.57 USER MOD Set 3.2: A 45 SER OG : rot -81:sc= 0.306 USER MOD Set 3.3: A 46 ASN : amide:sc= -10! C(o=-8.2!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0807 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0857 USER MOD Single : A 18 THR OG1 : rot 89:sc= 0.161 USER MOD Single : A 20 SER OG : rot 180:sc= -0.02 USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= 0.636 (180deg=0.325) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0.00092) USER MOD Single : A 32 MET CE :methyl 177:sc= -0.114 (180deg=-0.132) USER MOD Single : A 33 ASN : amide:sc= -0.0346 K(o=-0.035,f=-6.6!) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0209) USER MOD Single : A 37 SER OG : rot -64:sc= 1.29 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 68:sc= 0.0953 USER MOD Single : A 53 SER OG : rot -160:sc=-0.00835 USER MOD Single : A 55 LYS NZ :NH3+ -130:sc= 1.37 (180deg=-2.06!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -21:sc= 0.526 USER MOD Single : A 60 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.21) USER MOD Single : A 66 HIS : no HE2:sc= -1.43 X(o=-1.4,f=-1.2) USER MOD Single : A 67 TYR OH : rot 40:sc= 0.0213 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 0.953 (180deg=0.868) USER MOD Single : A 71 SER OG : rot -135:sc= 0.791 USER MOD Single : A 74 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.28) USER MOD Single : A 77 TYR OH : rot 166:sc= 0.0104 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0256 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.27 F(o=-4.6!,f=-2.3) USER MOD Single : A 93 GLN : amide:sc= -1.03 K(o=-1,f=-2.3) USER MOD Single : A 94 HIS : no HD1:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 95 TYR OH : rot -44:sc= -0.0611 USER MOD Single : A 96 SER OG : rot 53:sc= 1.19 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.374 K(o=-0.37,f=-3!) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0.212 (180deg=0.163) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0477 USER MOD Single : A 110 CYS SG : rot 120:sc= -3.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.410 12.434 -15.336 1.00 0.00 N ATOM 2 CA GLY A 1 -29.226 11.012 -15.065 1.00 0.00 C ATOM 3 C GLY A 1 -29.366 10.151 -16.321 1.00 0.00 C ATOM 4 O GLY A 1 -29.556 10.660 -17.418 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.622 12.971 -14.921 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.434 12.591 -16.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.306 12.754 -14.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.240 10.854 -14.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.958 10.689 -14.324 1.00 0.00 H new ATOM 10 N SER A 2 -29.257 8.826 -16.070 1.00 0.00 N ATOM 11 CA SER A 2 -29.355 7.766 -17.077 1.00 0.00 C ATOM 12 C SER A 2 -28.208 7.848 -18.102 1.00 0.00 C ATOM 13 O SER A 2 -27.212 7.148 -17.998 1.00 0.00 O ATOM 14 CB SER A 2 -30.748 7.730 -17.786 1.00 0.00 C ATOM 15 OG SER A 2 -30.938 6.902 -19.006 1.00 0.00 O ATOM 0 H SER A 2 -29.094 8.463 -15.131 1.00 0.00 H new ATOM 0 HA SER A 2 -29.256 6.824 -16.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.478 7.395 -17.050 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.006 8.756 -18.047 1.00 0.00 H new ATOM 0 HG SER A 2 -31.862 6.990 -19.320 1.00 0.00 H new ATOM 21 N VAL A 3 -28.422 8.740 -19.094 1.00 0.00 N ATOM 22 CA VAL A 3 -27.464 8.972 -20.173 1.00 0.00 C ATOM 23 C VAL A 3 -26.140 9.576 -19.636 1.00 0.00 C ATOM 24 O VAL A 3 -25.076 9.401 -20.220 1.00 0.00 O ATOM 25 CB VAL A 3 -28.090 9.921 -21.223 1.00 0.00 C ATOM 26 CG1 VAL A 3 -27.183 10.102 -22.450 1.00 0.00 C ATOM 27 CG2 VAL A 3 -29.479 9.456 -21.689 1.00 0.00 C ATOM 0 H VAL A 3 -29.264 9.313 -19.160 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.229 8.013 -20.635 1.00 0.00 H new ATOM 0 HB VAL A 3 -28.199 10.879 -20.715 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.662 10.776 -23.160 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.228 10.524 -22.137 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.015 9.135 -22.924 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.870 10.159 -22.425 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.399 8.466 -22.139 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -30.154 9.413 -20.834 1.00 0.00 H new ATOM 37 N ALA A 4 -26.281 10.288 -18.494 1.00 0.00 N ATOM 38 CA ALA A 4 -25.161 10.951 -17.834 1.00 0.00 C ATOM 39 C ALA A 4 -24.069 9.926 -17.429 1.00 0.00 C ATOM 40 O ALA A 4 -24.374 8.791 -17.084 1.00 0.00 O ATOM 41 CB ALA A 4 -25.701 11.676 -16.594 1.00 0.00 C ATOM 0 H ALA A 4 -27.174 10.411 -18.016 1.00 0.00 H new ATOM 0 HA ALA A 4 -24.700 11.664 -18.518 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -24.882 12.181 -16.082 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -26.446 12.411 -16.898 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -26.159 10.952 -15.920 1.00 0.00 H new ATOM 47 N PRO A 5 -22.778 10.376 -17.472 1.00 0.00 N ATOM 48 CA PRO A 5 -21.643 9.518 -17.122 1.00 0.00 C ATOM 49 C PRO A 5 -21.591 9.207 -15.612 1.00 0.00 C ATOM 50 O PRO A 5 -21.505 10.099 -14.777 1.00 0.00 O ATOM 51 CB PRO A 5 -20.416 10.339 -17.545 1.00 0.00 C ATOM 52 CG PRO A 5 -20.886 11.796 -17.510 1.00 0.00 C ATOM 53 CD PRO A 5 -22.375 11.732 -17.851 1.00 0.00 C ATOM 0 HA PRO A 5 -21.704 8.547 -17.613 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -19.579 10.177 -16.866 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -20.076 10.057 -18.542 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -20.723 12.241 -16.528 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -20.341 12.405 -18.231 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -22.941 12.483 -17.300 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -22.548 11.916 -18.911 1.00 0.00 H new ATOM 61 N VAL A 6 -21.656 7.886 -15.341 1.00 0.00 N ATOM 62 CA VAL A 6 -21.632 7.369 -13.976 1.00 0.00 C ATOM 63 C VAL A 6 -20.182 7.083 -13.541 1.00 0.00 C ATOM 64 O VAL A 6 -19.329 6.692 -14.330 1.00 0.00 O ATOM 65 CB VAL A 6 -22.509 6.101 -13.893 1.00 0.00 C ATOM 66 CG1 VAL A 6 -21.986 4.945 -14.763 1.00 0.00 C ATOM 67 CG2 VAL A 6 -22.697 5.634 -12.441 1.00 0.00 C ATOM 0 H VAL A 6 -21.725 7.165 -16.059 1.00 0.00 H new ATOM 0 HA VAL A 6 -22.039 8.114 -13.292 1.00 0.00 H new ATOM 0 HB VAL A 6 -23.480 6.390 -14.295 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -22.647 4.084 -14.660 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -21.959 5.259 -15.807 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -20.981 4.672 -14.440 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -23.320 4.740 -12.424 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -21.725 5.408 -12.003 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -23.180 6.423 -11.865 1.00 0.00 H new ATOM 77 N GLU A 7 -19.984 7.315 -12.227 1.00 0.00 N ATOM 78 CA GLU A 7 -18.696 7.091 -11.579 1.00 0.00 C ATOM 79 C GLU A 7 -18.442 5.575 -11.409 1.00 0.00 C ATOM 80 O GLU A 7 -19.150 4.879 -10.691 1.00 0.00 O ATOM 81 CB GLU A 7 -18.732 7.851 -10.242 1.00 0.00 C ATOM 82 CG GLU A 7 -17.394 7.909 -9.481 1.00 0.00 C ATOM 83 CD GLU A 7 -17.108 6.683 -8.590 1.00 0.00 C ATOM 84 OE1 GLU A 7 -18.048 6.025 -8.142 1.00 0.00 O ATOM 85 OE2 GLU A 7 -15.936 6.413 -8.339 1.00 0.00 O ATOM 0 H GLU A 7 -20.711 7.659 -11.599 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.865 7.464 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.068 8.871 -10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.477 7.385 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.585 8.013 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.383 8.804 -8.859 1.00 0.00 H new ATOM 92 N THR A 8 -17.409 5.116 -12.148 1.00 0.00 N ATOM 93 CA THR A 8 -17.026 3.701 -12.138 1.00 0.00 C ATOM 94 C THR A 8 -16.169 3.324 -10.919 1.00 0.00 C ATOM 95 O THR A 8 -15.589 4.163 -10.246 1.00 0.00 O ATOM 96 CB THR A 8 -16.229 3.330 -13.424 1.00 0.00 C ATOM 97 OG1 THR A 8 -15.845 1.919 -13.570 1.00 0.00 O ATOM 98 CG2 THR A 8 -15.070 4.349 -13.663 1.00 0.00 C ATOM 0 H THR A 8 -16.834 5.704 -12.752 1.00 0.00 H new ATOM 0 HA THR A 8 -17.961 3.143 -12.093 1.00 0.00 H new ATOM 0 HB THR A 8 -16.936 3.430 -14.248 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.353 1.799 -14.409 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.524 4.074 -14.566 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.484 5.350 -13.780 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.391 4.335 -12.810 1.00 0.00 H new ATOM 106 N LEU A 9 -16.104 1.989 -10.722 1.00 0.00 N ATOM 107 CA LEU A 9 -15.345 1.403 -9.626 1.00 0.00 C ATOM 108 C LEU A 9 -13.856 1.201 -9.994 1.00 0.00 C ATOM 109 O LEU A 9 -13.156 0.443 -9.332 1.00 0.00 O ATOM 110 CB LEU A 9 -16.012 0.100 -9.135 1.00 0.00 C ATOM 111 CG LEU A 9 -16.052 -1.068 -10.145 1.00 0.00 C ATOM 112 CD1 LEU A 9 -15.934 -2.419 -9.426 1.00 0.00 C ATOM 113 CD2 LEU A 9 -17.327 -1.050 -11.007 1.00 0.00 C ATOM 0 H LEU A 9 -16.574 1.306 -11.316 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.356 2.109 -8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.487 -0.238 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.035 0.330 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.197 -0.936 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.965 -3.225 -10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.991 -2.460 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.762 -2.533 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.309 -1.890 -11.701 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.203 -1.130 -10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.374 -0.117 -11.568 1.00 0.00 H new ATOM 125 N GLU A 10 -13.392 1.906 -11.064 1.00 0.00 N ATOM 126 CA GLU A 10 -11.980 1.787 -11.444 1.00 0.00 C ATOM 127 C GLU A 10 -11.097 2.613 -10.485 1.00 0.00 C ATOM 128 O GLU A 10 -9.878 2.602 -10.590 1.00 0.00 O ATOM 129 CB GLU A 10 -11.690 2.160 -12.917 1.00 0.00 C ATOM 130 CG GLU A 10 -11.480 0.918 -13.806 1.00 0.00 C ATOM 131 CD GLU A 10 -10.187 0.158 -13.414 1.00 0.00 C ATOM 132 OE1 GLU A 10 -9.095 0.631 -13.735 1.00 0.00 O ATOM 133 OE2 GLU A 10 -10.286 -0.899 -12.790 1.00 0.00 O ATOM 0 H GLU A 10 -13.953 2.529 -11.645 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.730 0.730 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.519 2.749 -13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.802 2.790 -12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.338 0.252 -13.713 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.423 1.222 -14.851 1.00 0.00 H new ATOM 140 N VAL A 11 -11.764 3.323 -9.547 1.00 0.00 N ATOM 141 CA VAL A 11 -11.052 4.104 -8.540 1.00 0.00 C ATOM 142 C VAL A 11 -10.288 3.161 -7.574 1.00 0.00 C ATOM 143 O VAL A 11 -9.356 3.559 -6.890 1.00 0.00 O ATOM 144 CB VAL A 11 -12.057 4.998 -7.790 1.00 0.00 C ATOM 145 CG1 VAL A 11 -12.674 6.046 -8.725 1.00 0.00 C ATOM 146 CG2 VAL A 11 -13.171 4.193 -7.097 1.00 0.00 C ATOM 0 H VAL A 11 -12.781 3.364 -9.476 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.313 4.746 -9.019 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.487 5.504 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.379 6.662 -8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.886 6.678 -9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.196 5.544 -9.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.849 4.876 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.725 3.623 -7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.729 3.509 -6.372 1.00 0.00 H new ATOM 156 N GLU A 12 -10.760 1.896 -7.584 1.00 0.00 N ATOM 157 CA GLU A 12 -10.214 0.811 -6.792 1.00 0.00 C ATOM 158 C GLU A 12 -9.097 0.127 -7.595 1.00 0.00 C ATOM 159 O GLU A 12 -8.744 0.512 -8.701 1.00 0.00 O ATOM 160 CB GLU A 12 -11.346 -0.219 -6.573 1.00 0.00 C ATOM 161 CG GLU A 12 -12.655 0.357 -6.002 1.00 0.00 C ATOM 162 CD GLU A 12 -13.792 -0.689 -5.927 1.00 0.00 C ATOM 163 OE1 GLU A 12 -13.575 -1.860 -6.249 1.00 0.00 O ATOM 164 OE2 GLU A 12 -14.900 -0.312 -5.550 1.00 0.00 O ATOM 0 H GLU A 12 -11.550 1.611 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.824 1.182 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.565 -0.702 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.984 -0.995 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.467 0.753 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.978 1.194 -6.621 1.00 0.00 H new ATOM 171 N LYS A 13 -8.586 -0.925 -6.930 1.00 0.00 N ATOM 172 CA LYS A 13 -7.598 -1.843 -7.454 1.00 0.00 C ATOM 173 C LYS A 13 -6.242 -1.189 -7.684 1.00 0.00 C ATOM 174 O LYS A 13 -5.346 -1.459 -6.895 1.00 0.00 O ATOM 175 CB LYS A 13 -8.227 -2.655 -8.582 1.00 0.00 C ATOM 176 CG LYS A 13 -9.572 -3.244 -8.118 1.00 0.00 C ATOM 177 CD LYS A 13 -9.480 -4.236 -6.943 1.00 0.00 C ATOM 178 CE LYS A 13 -10.857 -4.730 -6.514 1.00 0.00 C ATOM 179 NZ LYS A 13 -11.611 -3.788 -5.694 1.00 0.00 N ATOM 0 H LYS A 13 -8.871 -1.155 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.311 -2.589 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.380 -2.022 -9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.554 -3.457 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.230 -2.424 -7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.041 -3.748 -8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.862 -5.086 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.986 -3.755 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.439 -4.963 -7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.738 -5.661 -5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.444 -4.265 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.008 -3.439 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.920 -2.987 -6.281 1.00 0.00 H new ATOM 193 N TRP A 14 -6.061 -0.347 -8.745 1.00 0.00 N ATOM 194 CA TRP A 14 -4.720 0.258 -8.847 1.00 0.00 C ATOM 195 C TRP A 14 -4.497 1.170 -7.635 1.00 0.00 C ATOM 196 O TRP A 14 -3.414 1.244 -7.082 1.00 0.00 O ATOM 197 CB TRP A 14 -4.311 0.846 -10.216 1.00 0.00 C ATOM 198 CG TRP A 14 -4.598 2.307 -10.556 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.367 2.712 -11.652 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.990 3.520 -10.030 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.243 4.052 -11.829 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.404 4.595 -10.864 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.144 3.790 -8.983 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -3.956 5.872 -10.611 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.713 5.091 -8.729 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.122 6.129 -9.545 1.00 0.00 C ATOM 0 H TRP A 14 -6.745 -0.099 -9.460 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.999 -0.558 -8.809 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.236 0.698 -10.320 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.792 0.238 -10.982 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.969 2.057 -12.265 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.702 4.586 -12.567 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.808 2.984 -8.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.262 6.682 -11.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.058 5.288 -7.893 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.789 7.137 -9.348 1.00 0.00 H new ATOM 217 N PHE A 15 -5.613 1.809 -7.239 1.00 0.00 N ATOM 218 CA PHE A 15 -5.627 2.665 -6.066 1.00 0.00 C ATOM 219 C PHE A 15 -6.553 2.001 -5.034 1.00 0.00 C ATOM 220 O PHE A 15 -7.649 2.469 -4.745 1.00 0.00 O ATOM 221 CB PHE A 15 -6.058 4.082 -6.469 1.00 0.00 C ATOM 222 CG PHE A 15 -5.701 5.078 -5.404 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.387 5.513 -5.295 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.652 5.564 -4.512 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.017 6.405 -4.302 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.285 6.466 -3.521 1.00 0.00 C ATOM 227 CZ PHE A 15 -4.967 6.889 -3.416 1.00 0.00 C ATOM 0 H PHE A 15 -6.509 1.741 -7.721 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.641 2.776 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.577 4.359 -7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.134 4.102 -6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.645 5.152 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.679 5.239 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.988 6.723 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.027 6.839 -2.831 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.683 7.592 -2.647 1.00 0.00 H new ATOM 237 N PHE A 16 -6.036 0.862 -4.502 1.00 0.00 N ATOM 238 CA PHE A 16 -6.798 0.079 -3.522 1.00 0.00 C ATOM 239 C PHE A 16 -6.521 0.579 -2.090 1.00 0.00 C ATOM 240 O PHE A 16 -6.032 -0.161 -1.247 1.00 0.00 O ATOM 241 CB PHE A 16 -6.459 -1.429 -3.677 1.00 0.00 C ATOM 242 CG PHE A 16 -7.549 -2.416 -3.305 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.896 -2.067 -3.148 1.00 0.00 C ATOM 244 CD2 PHE A 16 -7.196 -3.753 -3.141 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.852 -3.027 -2.847 1.00 0.00 C ATOM 246 CE2 PHE A 16 -8.156 -4.713 -2.850 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.484 -4.355 -2.702 1.00 0.00 C ATOM 0 H PHE A 16 -5.118 0.482 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.864 0.210 -3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.177 -1.609 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.582 -1.645 -3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.195 -1.036 -3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.162 -4.047 -3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.886 -2.738 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.864 -5.747 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.228 -5.104 -2.475 1.00 0.00 H new ATOM 257 N ARG A 17 -6.874 1.876 -1.894 1.00 0.00 N ATOM 258 CA ARG A 17 -6.739 2.632 -0.645 1.00 0.00 C ATOM 259 C ARG A 17 -5.474 2.285 0.150 1.00 0.00 C ATOM 260 O ARG A 17 -4.416 2.853 -0.063 1.00 0.00 O ATOM 261 CB ARG A 17 -8.011 2.509 0.223 1.00 0.00 C ATOM 262 CG ARG A 17 -9.143 3.416 -0.252 1.00 0.00 C ATOM 263 CD ARG A 17 -10.399 3.226 0.608 1.00 0.00 C ATOM 264 NE ARG A 17 -11.538 3.962 0.061 1.00 0.00 N ATOM 265 CZ ARG A 17 -11.787 5.262 0.325 1.00 0.00 C ATOM 266 NH1 ARG A 17 -10.998 5.965 1.128 1.00 0.00 N ATOM 267 NH2 ARG A 17 -12.843 5.847 -0.224 1.00 0.00 N ATOM 0 H ARG A 17 -7.278 2.438 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.624 3.676 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.353 1.474 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.765 2.754 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.822 4.457 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.375 3.198 -1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.644 2.166 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.200 3.564 1.625 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.181 3.465 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.185 5.524 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.204 6.946 1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.458 5.315 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.040 6.829 -0.031 1.00 0.00 H new ATOM 281 N THR A 18 -5.693 1.351 1.092 1.00 0.00 N ATOM 282 CA THR A 18 -4.677 0.855 1.996 1.00 0.00 C ATOM 283 C THR A 18 -5.195 -0.421 2.662 1.00 0.00 C ATOM 284 O THR A 18 -5.931 -0.400 3.642 1.00 0.00 O ATOM 285 CB THR A 18 -4.343 1.830 3.174 1.00 0.00 C ATOM 286 OG1 THR A 18 -3.894 1.213 4.428 1.00 0.00 O ATOM 287 CG2 THR A 18 -5.456 2.906 3.357 1.00 0.00 C ATOM 0 H THR A 18 -6.606 0.920 1.238 1.00 0.00 H new ATOM 0 HA THR A 18 -3.784 0.713 1.388 1.00 0.00 H new ATOM 0 HB THR A 18 -3.437 2.345 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.920 1.106 4.410 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.192 3.566 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.551 3.490 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.405 2.415 3.574 1.00 0.00 H new ATOM 295 N ILE A 19 -4.745 -1.522 2.058 1.00 0.00 N ATOM 296 CA ILE A 19 -5.039 -2.865 2.537 1.00 0.00 C ATOM 297 C ILE A 19 -3.756 -3.261 3.298 1.00 0.00 C ATOM 298 O ILE A 19 -2.947 -2.388 3.585 1.00 0.00 O ATOM 299 CB ILE A 19 -5.282 -3.666 1.244 1.00 0.00 C ATOM 300 CG1 ILE A 19 -6.133 -4.914 1.421 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.025 -3.924 0.417 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.277 -5.665 0.083 1.00 0.00 C ATOM 0 H ILE A 19 -4.164 -1.502 1.220 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.895 -3.008 3.197 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.891 -2.988 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.678 -5.568 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.118 -4.639 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.287 -4.493 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.581 -2.973 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.308 -4.490 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.889 -6.555 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.753 -5.014 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.291 -5.958 -0.278 1.00 0.00 H new ATOM 314 N SER A 20 -3.575 -4.552 3.647 1.00 0.00 N ATOM 315 CA SER A 20 -2.274 -4.886 4.249 1.00 0.00 C ATOM 316 C SER A 20 -1.360 -5.226 3.068 1.00 0.00 C ATOM 317 O SER A 20 -1.846 -5.526 1.989 1.00 0.00 O ATOM 318 CB SER A 20 -2.288 -6.125 5.172 1.00 0.00 C ATOM 319 OG SER A 20 -1.026 -6.855 5.479 1.00 0.00 O ATOM 0 H SER A 20 -4.244 -5.314 3.537 1.00 0.00 H new ATOM 0 HA SER A 20 -1.961 -4.043 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.718 -5.812 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.977 -6.846 4.732 1.00 0.00 H new ATOM 0 HG SER A 20 -1.220 -7.607 6.076 1.00 0.00 H new ATOM 325 N ARG A 21 -0.034 -5.201 3.300 1.00 0.00 N ATOM 326 CA ARG A 21 0.865 -5.546 2.197 1.00 0.00 C ATOM 327 C ARG A 21 0.514 -6.953 1.644 1.00 0.00 C ATOM 328 O ARG A 21 0.378 -7.155 0.447 1.00 0.00 O ATOM 329 CB ARG A 21 2.334 -5.466 2.648 1.00 0.00 C ATOM 330 CG ARG A 21 3.276 -5.088 1.490 1.00 0.00 C ATOM 331 CD ARG A 21 3.610 -3.587 1.425 1.00 0.00 C ATOM 332 NE ARG A 21 4.470 -3.186 2.540 1.00 0.00 N ATOM 333 CZ ARG A 21 5.804 -3.411 2.571 1.00 0.00 C ATOM 334 NH1 ARG A 21 6.423 -4.025 1.571 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.512 -3.010 3.618 1.00 0.00 N ATOM 0 H ARG A 21 0.413 -4.961 4.185 1.00 0.00 H new ATOM 0 HA ARG A 21 0.731 -4.824 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.428 -4.730 3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.638 -6.427 3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.203 -5.653 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.818 -5.390 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.107 -3.363 0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.688 -3.006 1.446 1.00 0.00 H new ATOM 0 HE ARG A 21 4.041 -2.712 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.892 -4.338 0.758 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.430 -4.184 1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.051 -2.535 4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.518 -3.177 3.648 1.00 0.00 H new ATOM 349 N LYS A 22 0.310 -7.873 2.612 1.00 0.00 N ATOM 350 CA LYS A 22 -0.045 -9.255 2.304 1.00 0.00 C ATOM 351 C LYS A 22 -1.393 -9.403 1.592 1.00 0.00 C ATOM 352 O LYS A 22 -1.575 -10.273 0.749 1.00 0.00 O ATOM 353 CB LYS A 22 -0.004 -10.106 3.574 1.00 0.00 C ATOM 354 CG LYS A 22 -1.226 -10.040 4.504 1.00 0.00 C ATOM 355 CD LYS A 22 -2.161 -11.213 4.251 1.00 0.00 C ATOM 356 CE LYS A 22 -3.311 -11.236 5.260 1.00 0.00 C ATOM 357 NZ LYS A 22 -4.426 -12.061 4.818 1.00 0.00 N ATOM 0 H LYS A 22 0.388 -7.673 3.609 1.00 0.00 H new ATOM 0 HA LYS A 22 0.703 -9.615 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.141 -11.145 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.874 -9.813 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.898 -10.048 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.760 -9.103 4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.563 -11.149 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.602 -12.146 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.944 -11.610 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.662 -10.218 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.962 -12.392 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.050 -11.501 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.064 -12.881 4.290 1.00 0.00 H new ATOM 371 N ASP A 23 -2.323 -8.502 1.979 1.00 0.00 N ATOM 372 CA ASP A 23 -3.652 -8.581 1.404 1.00 0.00 C ATOM 373 C ASP A 23 -3.693 -8.024 -0.011 1.00 0.00 C ATOM 374 O ASP A 23 -4.505 -8.403 -0.839 1.00 0.00 O ATOM 375 CB ASP A 23 -4.670 -7.807 2.253 1.00 0.00 C ATOM 376 CG ASP A 23 -5.110 -8.619 3.483 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.439 -9.795 3.320 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.140 -8.074 4.581 1.00 0.00 O ATOM 0 H ASP A 23 -2.175 -7.752 2.655 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.911 -9.640 1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.233 -6.862 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.542 -7.563 1.646 1.00 0.00 H new ATOM 383 N ALA A 24 -2.784 -7.089 -0.239 1.00 0.00 N ATOM 384 CA ALA A 24 -2.726 -6.487 -1.557 1.00 0.00 C ATOM 385 C ALA A 24 -2.163 -7.520 -2.550 1.00 0.00 C ATOM 386 O ALA A 24 -2.698 -7.778 -3.617 1.00 0.00 O ATOM 387 CB ALA A 24 -1.878 -5.224 -1.423 1.00 0.00 C ATOM 0 H ALA A 24 -2.105 -6.744 0.439 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.703 -6.200 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.803 -4.731 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.344 -4.547 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.881 -5.491 -1.074 1.00 0.00 H new ATOM 393 N GLU A 25 -1.079 -8.133 -2.062 1.00 0.00 N ATOM 394 CA GLU A 25 -0.336 -9.152 -2.773 1.00 0.00 C ATOM 395 C GLU A 25 -1.246 -10.357 -3.085 1.00 0.00 C ATOM 396 O GLU A 25 -1.061 -11.014 -4.097 1.00 0.00 O ATOM 397 CB GLU A 25 0.872 -9.565 -1.918 1.00 0.00 C ATOM 398 CG GLU A 25 1.967 -8.480 -1.873 1.00 0.00 C ATOM 399 CD GLU A 25 3.134 -8.907 -0.967 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.975 -9.685 -1.416 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.190 -8.457 0.176 1.00 0.00 O ATOM 0 H GLU A 25 -0.694 -7.922 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 25 0.022 -8.761 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.537 -9.780 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.296 -10.487 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.336 -8.290 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.542 -7.545 -1.507 1.00 0.00 H new ATOM 408 N ARG A 26 -2.258 -10.585 -2.204 1.00 0.00 N ATOM 409 CA ARG A 26 -3.163 -11.721 -2.401 1.00 0.00 C ATOM 410 C ARG A 26 -3.986 -11.528 -3.692 1.00 0.00 C ATOM 411 O ARG A 26 -4.369 -12.474 -4.367 1.00 0.00 O ATOM 412 CB ARG A 26 -4.135 -11.884 -1.200 1.00 0.00 C ATOM 413 CG ARG A 26 -5.490 -11.140 -1.283 1.00 0.00 C ATOM 414 CD ARG A 26 -6.187 -10.802 0.040 1.00 0.00 C ATOM 415 NE ARG A 26 -7.575 -10.460 -0.256 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.414 -9.926 0.654 1.00 0.00 C ATOM 417 NH1 ARG A 26 -8.019 -9.682 1.899 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.660 -9.636 0.303 1.00 0.00 N ATOM 0 H ARG A 26 -2.453 -10.013 -1.383 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.551 -12.620 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.340 -12.947 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.620 -11.549 -0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.331 -10.210 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.172 -11.746 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.141 -11.650 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.686 -9.969 0.533 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.927 -10.634 -1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.064 -9.899 2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.671 -9.277 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.977 -9.817 -0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.301 -9.232 0.986 1.00 0.00 H new ATOM 432 N GLN A 27 -4.217 -10.225 -3.972 1.00 0.00 N ATOM 433 CA GLN A 27 -5.028 -9.840 -5.131 1.00 0.00 C ATOM 434 C GLN A 27 -4.331 -10.077 -6.481 1.00 0.00 C ATOM 435 O GLN A 27 -4.961 -10.428 -7.472 1.00 0.00 O ATOM 436 CB GLN A 27 -5.431 -8.360 -5.057 1.00 0.00 C ATOM 437 CG GLN A 27 -6.296 -8.053 -3.833 1.00 0.00 C ATOM 438 CD GLN A 27 -7.781 -8.356 -4.088 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.530 -7.523 -4.579 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.158 -9.592 -3.721 1.00 0.00 N ATOM 0 H GLN A 27 -3.859 -9.445 -3.421 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.905 -10.485 -5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.533 -7.743 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.976 -8.089 -5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.946 -8.642 -2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.181 -7.004 -3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.476 -10.234 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.126 -9.888 -3.846 1.00 0.00 H new ATOM 449 N LEU A 28 -3.001 -9.857 -6.446 1.00 0.00 N ATOM 450 CA LEU A 28 -2.178 -9.970 -7.648 1.00 0.00 C ATOM 451 C LEU A 28 -1.727 -11.412 -7.894 1.00 0.00 C ATOM 452 O LEU A 28 -1.625 -11.857 -9.030 1.00 0.00 O ATOM 453 CB LEU A 28 -1.022 -8.975 -7.562 1.00 0.00 C ATOM 454 CG LEU A 28 -1.539 -7.587 -7.207 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.379 -6.757 -6.697 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.202 -6.921 -8.408 1.00 0.00 C ATOM 0 H LEU A 28 -2.486 -9.603 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.773 -9.710 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.305 -9.306 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.493 -8.940 -8.514 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.300 -7.670 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.732 -5.759 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.047 -7.232 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.384 -6.682 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.561 -5.932 -8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.478 -6.825 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.042 -7.529 -8.743 1.00 0.00 H new ATOM 468 N LEU A 29 -1.498 -12.110 -6.756 1.00 0.00 N ATOM 469 CA LEU A 29 -1.098 -13.509 -6.753 1.00 0.00 C ATOM 470 C LEU A 29 -2.257 -14.392 -7.262 1.00 0.00 C ATOM 471 O LEU A 29 -2.034 -15.479 -7.779 1.00 0.00 O ATOM 472 CB LEU A 29 -0.655 -13.896 -5.339 1.00 0.00 C ATOM 473 CG LEU A 29 0.716 -13.290 -4.979 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.894 -13.248 -3.460 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.854 -14.114 -5.607 1.00 0.00 C ATOM 0 H LEU A 29 -1.589 -11.706 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.257 -13.665 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.401 -13.558 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.604 -14.982 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 29 0.754 -12.275 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.866 -12.818 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.107 -12.636 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.835 -14.260 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.814 -13.670 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.811 -15.137 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.744 -14.119 -6.691 1.00 0.00 H new ATOM 487 N ALA A 30 -3.486 -13.851 -7.101 1.00 0.00 N ATOM 488 CA ALA A 30 -4.687 -14.542 -7.548 1.00 0.00 C ATOM 489 C ALA A 30 -4.669 -14.679 -9.088 1.00 0.00 C ATOM 490 O ALA A 30 -4.202 -13.794 -9.797 1.00 0.00 O ATOM 491 CB ALA A 30 -5.919 -13.728 -7.134 1.00 0.00 C ATOM 0 H ALA A 30 -3.658 -12.944 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.723 -15.533 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.822 -14.240 -7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.939 -13.624 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.873 -12.740 -7.592 1.00 0.00 H new ATOM 497 N PRO A 31 -5.230 -15.821 -9.583 1.00 0.00 N ATOM 498 CA PRO A 31 -5.299 -16.117 -11.017 1.00 0.00 C ATOM 499 C PRO A 31 -6.254 -15.215 -11.832 1.00 0.00 C ATOM 500 O PRO A 31 -6.467 -15.424 -13.019 1.00 0.00 O ATOM 501 CB PRO A 31 -5.742 -17.586 -11.073 1.00 0.00 C ATOM 502 CG PRO A 31 -6.465 -17.816 -9.748 1.00 0.00 C ATOM 503 CD PRO A 31 -5.771 -16.896 -8.758 1.00 0.00 C ATOM 0 HA PRO A 31 -4.333 -15.924 -11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.400 -17.770 -11.922 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.888 -18.255 -11.181 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.526 -17.579 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.395 -18.858 -9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.469 -16.513 -8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.982 -17.417 -8.216 1.00 0.00 H new ATOM 511 N MET A 32 -6.811 -14.214 -11.121 1.00 0.00 N ATOM 512 CA MET A 32 -7.719 -13.226 -11.660 1.00 0.00 C ATOM 513 C MET A 32 -7.063 -12.410 -12.802 1.00 0.00 C ATOM 514 O MET A 32 -7.636 -12.201 -13.865 1.00 0.00 O ATOM 515 CB MET A 32 -8.070 -12.339 -10.466 1.00 0.00 C ATOM 516 CG MET A 32 -9.010 -12.995 -9.446 1.00 0.00 C ATOM 517 SD MET A 32 -9.844 -11.758 -8.428 1.00 0.00 S ATOM 518 CE MET A 32 -8.446 -11.097 -7.504 1.00 0.00 C ATOM 0 H MET A 32 -6.625 -14.082 -10.127 1.00 0.00 H new ATOM 0 HA MET A 32 -8.602 -13.682 -12.108 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.149 -12.050 -9.960 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.533 -11.423 -10.833 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.752 -13.599 -9.968 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.442 -13.671 -8.807 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.785 -10.282 -6.865 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.012 -11.885 -6.888 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.694 -10.724 -8.199 1.00 0.00 H new ATOM 528 N ASN A 33 -5.820 -11.987 -12.480 1.00 0.00 N ATOM 529 CA ASN A 33 -4.957 -11.202 -13.366 1.00 0.00 C ATOM 530 C ASN A 33 -3.514 -11.736 -13.241 1.00 0.00 C ATOM 531 O ASN A 33 -3.285 -12.817 -12.713 1.00 0.00 O ATOM 532 CB ASN A 33 -5.021 -9.701 -13.007 1.00 0.00 C ATOM 533 CG ASN A 33 -6.419 -9.104 -13.212 1.00 0.00 C ATOM 534 OD1 ASN A 33 -7.369 -9.446 -12.524 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.477 -8.169 -14.172 1.00 0.00 N ATOM 0 H ASN A 33 -5.388 -12.190 -11.578 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.298 -11.303 -14.396 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.722 -9.567 -11.968 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.303 -9.154 -13.618 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.357 -7.692 -14.367 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.641 -7.935 -14.707 1.00 0.00 H new ATOM 542 N LYS A 34 -2.568 -10.920 -13.751 1.00 0.00 N ATOM 543 CA LYS A 34 -1.153 -11.275 -13.704 1.00 0.00 C ATOM 544 C LYS A 34 -0.288 -10.013 -13.811 1.00 0.00 C ATOM 545 O LYS A 34 -0.786 -8.912 -13.634 1.00 0.00 O ATOM 546 CB LYS A 34 -0.815 -12.254 -14.810 1.00 0.00 C ATOM 547 CG LYS A 34 -1.155 -11.740 -16.210 1.00 0.00 C ATOM 548 CD LYS A 34 -1.935 -12.836 -16.896 1.00 0.00 C ATOM 549 CE LYS A 34 -2.399 -12.495 -18.313 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.316 -11.361 -18.334 1.00 0.00 N ATOM 0 H LYS A 34 -2.765 -10.022 -14.193 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.944 -11.757 -12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.249 -12.485 -14.766 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.351 -13.186 -14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.742 -10.824 -16.154 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.248 -11.504 -16.767 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.317 -13.733 -16.936 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.808 -13.077 -16.290 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.531 -12.270 -18.933 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.888 -13.364 -18.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.657 -11.208 -19.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.124 -11.557 -17.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.821 -10.508 -18.003 1.00 0.00 H new ATOM 564 N ALA A 35 1.007 -10.238 -14.148 1.00 0.00 N ATOM 565 CA ALA A 35 2.000 -9.176 -14.313 1.00 0.00 C ATOM 566 C ALA A 35 1.404 -7.969 -15.063 1.00 0.00 C ATOM 567 O ALA A 35 0.989 -8.060 -16.212 1.00 0.00 O ATOM 568 CB ALA A 35 3.235 -9.720 -15.041 1.00 0.00 C ATOM 0 H ALA A 35 1.382 -11.172 -14.311 1.00 0.00 H new ATOM 0 HA ALA A 35 2.303 -8.830 -13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.968 -8.922 -15.159 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.672 -10.532 -14.459 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.944 -10.093 -16.023 1.00 0.00 H new ATOM 574 N GLY A 36 1.363 -6.853 -14.303 1.00 0.00 N ATOM 575 CA GLY A 36 0.819 -5.603 -14.799 1.00 0.00 C ATOM 576 C GLY A 36 -0.372 -5.114 -13.980 1.00 0.00 C ATOM 577 O GLY A 36 -0.613 -3.919 -13.862 1.00 0.00 O ATOM 0 H GLY A 36 1.705 -6.809 -13.343 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.599 -4.842 -14.788 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.513 -5.731 -15.837 1.00 0.00 H new ATOM 581 N SER A 37 -1.095 -6.102 -13.409 1.00 0.00 N ATOM 582 CA SER A 37 -2.137 -5.770 -12.444 1.00 0.00 C ATOM 583 C SER A 37 -1.312 -5.281 -11.239 1.00 0.00 C ATOM 584 O SER A 37 -0.332 -5.922 -10.859 1.00 0.00 O ATOM 585 CB SER A 37 -3.017 -6.987 -11.999 1.00 0.00 C ATOM 586 OG SER A 37 -2.396 -8.274 -11.606 1.00 0.00 O ATOM 0 H SER A 37 -0.975 -7.097 -13.597 1.00 0.00 H new ATOM 0 HA SER A 37 -2.849 -5.059 -12.863 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.621 -6.653 -11.155 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.704 -7.201 -12.818 1.00 0.00 H new ATOM 0 HG SER A 37 -1.927 -8.659 -12.375 1.00 0.00 H new ATOM 592 N PHE A 38 -1.715 -4.092 -10.737 1.00 0.00 N ATOM 593 CA PHE A 38 -1.011 -3.460 -9.626 1.00 0.00 C ATOM 594 C PHE A 38 -2.061 -2.948 -8.593 1.00 0.00 C ATOM 595 O PHE A 38 -3.269 -2.996 -8.802 1.00 0.00 O ATOM 596 CB PHE A 38 -0.304 -2.160 -10.142 1.00 0.00 C ATOM 597 CG PHE A 38 1.007 -2.228 -10.894 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.385 -3.255 -11.745 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.901 -1.172 -10.732 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.605 -3.216 -12.410 1.00 0.00 C ATOM 601 CE2 PHE A 38 3.143 -1.152 -11.342 1.00 0.00 C ATOM 602 CZ PHE A 38 3.498 -2.183 -12.196 1.00 0.00 C ATOM 0 H PHE A 38 -2.516 -3.565 -11.086 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.311 -4.180 -9.201 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.015 -1.646 -10.788 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.141 -1.520 -9.275 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.723 -4.096 -11.893 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.614 -0.339 -10.108 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.859 -4.004 -13.104 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.829 -0.340 -11.154 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.459 -2.180 -12.688 1.00 0.00 H new ATOM 612 N LEU A 39 -1.468 -2.429 -7.486 1.00 0.00 N ATOM 613 CA LEU A 39 -2.168 -1.813 -6.352 1.00 0.00 C ATOM 614 C LEU A 39 -1.162 -0.803 -5.806 1.00 0.00 C ATOM 615 O LEU A 39 0.025 -1.091 -5.825 1.00 0.00 O ATOM 616 CB LEU A 39 -2.463 -2.756 -5.166 1.00 0.00 C ATOM 617 CG LEU A 39 -2.662 -4.213 -5.534 1.00 0.00 C ATOM 618 CD1 LEU A 39 -2.153 -5.108 -4.433 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.089 -4.602 -5.745 1.00 0.00 C ATOM 0 H LEU A 39 -0.455 -2.433 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.127 -1.439 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.640 -2.687 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.358 -2.401 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.115 -4.333 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.303 -6.151 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.090 -4.924 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.697 -4.898 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.143 -5.659 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.654 -4.424 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.512 -4.007 -6.555 1.00 0.00 H new ATOM 631 N ILE A 40 -1.647 0.340 -5.287 1.00 0.00 N ATOM 632 CA ILE A 40 -0.680 1.312 -4.789 1.00 0.00 C ATOM 633 C ILE A 40 -1.245 1.551 -3.353 1.00 0.00 C ATOM 634 O ILE A 40 -1.671 2.622 -2.941 1.00 0.00 O ATOM 635 CB ILE A 40 -0.734 2.446 -5.856 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.587 3.186 -6.084 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.686 3.547 -5.422 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.760 3.566 -7.577 1.00 0.00 C ATOM 0 H ILE A 40 -2.631 0.595 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 40 0.383 1.097 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.032 1.917 -6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.614 4.086 -5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.419 2.558 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.709 4.329 -6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.687 3.134 -5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.347 3.970 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.706 4.090 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.757 2.662 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.061 4.214 -7.885 1.00 0.00 H new ATOM 650 N ARG A 41 -1.202 0.419 -2.611 1.00 0.00 N ATOM 651 CA ARG A 41 -1.794 0.382 -1.279 1.00 0.00 C ATOM 652 C ARG A 41 -0.967 1.259 -0.334 1.00 0.00 C ATOM 653 O ARG A 41 0.241 1.105 -0.221 1.00 0.00 O ATOM 654 CB ARG A 41 -1.896 -1.093 -0.839 1.00 0.00 C ATOM 655 CG ARG A 41 -0.693 -1.685 -0.075 1.00 0.00 C ATOM 656 CD ARG A 41 -0.808 -1.359 1.417 1.00 0.00 C ATOM 657 NE ARG A 41 0.214 -2.024 2.205 1.00 0.00 N ATOM 658 CZ ARG A 41 0.333 -1.798 3.531 1.00 0.00 C ATOM 659 NH1 ARG A 41 -0.466 -0.948 4.165 1.00 0.00 N ATOM 660 NH2 ARG A 41 1.275 -2.443 4.201 1.00 0.00 N ATOM 0 H ARG A 41 -0.771 -0.455 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.803 0.793 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.780 -1.198 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.063 -1.700 -1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.657 -2.765 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.237 -1.279 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.729 -0.281 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.793 -1.657 1.777 1.00 0.00 H new ATOM 0 HE ARG A 41 0.854 -2.674 1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.190 -0.448 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.355 -0.795 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.892 -3.094 3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.384 -2.289 5.203 1.00 0.00 H new ATOM 674 N GLU A 42 -1.691 2.192 0.323 1.00 0.00 N ATOM 675 CA GLU A 42 -1.013 3.125 1.210 1.00 0.00 C ATOM 676 C GLU A 42 -0.745 2.542 2.595 1.00 0.00 C ATOM 677 O GLU A 42 -1.307 1.543 3.026 1.00 0.00 O ATOM 678 CB GLU A 42 -1.710 4.504 1.284 1.00 0.00 C ATOM 679 CG GLU A 42 -2.787 4.747 2.349 1.00 0.00 C ATOM 680 CD GLU A 42 -3.078 6.251 2.485 1.00 0.00 C ATOM 681 OE1 GLU A 42 -2.210 6.980 2.964 1.00 0.00 O ATOM 682 OE2 GLU A 42 -4.170 6.673 2.107 1.00 0.00 O ATOM 0 H GLU A 42 -2.702 2.307 0.253 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.038 3.298 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.934 5.256 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.163 4.694 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.700 4.217 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.457 4.346 3.307 1.00 0.00 H new ATOM 689 N SER A 43 0.197 3.257 3.228 1.00 0.00 N ATOM 690 CA SER A 43 0.599 2.981 4.592 1.00 0.00 C ATOM 691 C SER A 43 -0.246 3.981 5.394 1.00 0.00 C ATOM 692 O SER A 43 0.106 5.139 5.513 1.00 0.00 O ATOM 693 CB SER A 43 2.122 3.275 4.696 1.00 0.00 C ATOM 694 OG SER A 43 2.815 3.154 6.002 1.00 0.00 O ATOM 0 H SER A 43 0.693 4.038 2.800 1.00 0.00 H new ATOM 0 HA SER A 43 0.449 1.959 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.629 2.609 3.998 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.281 4.292 4.338 1.00 0.00 H new ATOM 0 HG SER A 43 3.119 4.039 6.294 1.00 0.00 H new ATOM 700 N GLU A 44 -1.389 3.496 5.906 1.00 0.00 N ATOM 701 CA GLU A 44 -2.364 4.329 6.613 1.00 0.00 C ATOM 702 C GLU A 44 -1.797 5.268 7.720 1.00 0.00 C ATOM 703 O GLU A 44 -2.435 6.242 8.100 1.00 0.00 O ATOM 704 CB GLU A 44 -3.502 3.450 7.153 1.00 0.00 C ATOM 705 CG GLU A 44 -3.054 2.135 7.830 1.00 0.00 C ATOM 706 CD GLU A 44 -2.274 2.384 9.131 1.00 0.00 C ATOM 707 OE1 GLU A 44 -2.883 2.800 10.115 1.00 0.00 O ATOM 708 OE2 GLU A 44 -1.063 2.159 9.140 1.00 0.00 O ATOM 0 H GLU A 44 -1.659 2.515 5.839 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.738 5.026 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.079 4.032 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.173 3.206 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.930 1.523 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.431 1.567 7.139 1.00 0.00 H new ATOM 715 N SER A 45 -0.582 4.942 8.194 1.00 0.00 N ATOM 716 CA SER A 45 0.123 5.668 9.241 1.00 0.00 C ATOM 717 C SER A 45 0.629 7.063 8.813 1.00 0.00 C ATOM 718 O SER A 45 0.795 7.951 9.640 1.00 0.00 O ATOM 719 CB SER A 45 1.398 4.825 9.503 1.00 0.00 C ATOM 720 OG SER A 45 2.300 4.564 8.349 1.00 0.00 O ATOM 0 H SER A 45 -0.056 4.142 7.843 1.00 0.00 H new ATOM 0 HA SER A 45 -0.555 5.809 10.083 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.979 5.326 10.277 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.087 3.863 9.911 1.00 0.00 H new ATOM 0 HG SER A 45 1.947 3.818 7.820 1.00 0.00 H new ATOM 726 N ASN A 46 0.877 7.196 7.498 1.00 0.00 N ATOM 727 CA ASN A 46 1.421 8.413 6.892 1.00 0.00 C ATOM 728 C ASN A 46 0.481 9.010 5.830 1.00 0.00 C ATOM 729 O ASN A 46 -0.468 8.388 5.370 1.00 0.00 O ATOM 730 CB ASN A 46 2.732 8.046 6.168 1.00 0.00 C ATOM 731 CG ASN A 46 2.572 6.729 5.439 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.142 5.727 5.837 1.00 0.00 O ATOM 733 ND2 ASN A 46 1.784 6.794 4.361 1.00 0.00 N ATOM 0 H ASN A 46 0.702 6.451 6.824 1.00 0.00 H new ATOM 0 HA ASN A 46 1.562 9.142 7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.999 8.832 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.547 7.975 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.620 5.959 3.798 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.347 7.678 4.102 1.00 0.00 H new ATOM 740 N LYS A 47 0.830 10.271 5.500 1.00 0.00 N ATOM 741 CA LYS A 47 0.160 11.034 4.453 1.00 0.00 C ATOM 742 C LYS A 47 0.957 11.045 3.142 1.00 0.00 C ATOM 743 O LYS A 47 0.533 11.618 2.146 1.00 0.00 O ATOM 744 CB LYS A 47 -0.288 12.409 4.934 1.00 0.00 C ATOM 745 CG LYS A 47 0.887 13.318 5.240 1.00 0.00 C ATOM 746 CD LYS A 47 1.534 13.913 3.982 1.00 0.00 C ATOM 747 CE LYS A 47 2.203 15.270 4.217 1.00 0.00 C ATOM 748 NZ LYS A 47 2.727 15.856 2.986 1.00 0.00 N ATOM 0 H LYS A 47 1.586 10.780 5.959 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.766 10.512 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.915 12.872 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.902 12.298 5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.552 14.129 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.638 12.756 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.277 13.213 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.773 14.022 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.482 15.955 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.016 15.152 4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.169 16.773 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.436 15.217 2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.949 15.996 2.310 1.00 0.00 H new ATOM 762 N GLY A 48 2.143 10.402 3.230 1.00 0.00 N ATOM 763 CA GLY A 48 3.050 10.364 2.097 1.00 0.00 C ATOM 764 C GLY A 48 3.870 9.086 2.000 1.00 0.00 C ATOM 765 O GLY A 48 5.084 9.118 1.847 1.00 0.00 O ATOM 0 H GLY A 48 2.476 9.916 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.474 10.484 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.729 11.215 2.160 1.00 0.00 H new ATOM 769 N ALA A 49 3.135 7.966 2.101 1.00 0.00 N ATOM 770 CA ALA A 49 3.794 6.661 1.941 1.00 0.00 C ATOM 771 C ALA A 49 2.795 5.636 1.356 1.00 0.00 C ATOM 772 O ALA A 49 1.768 5.324 1.941 1.00 0.00 O ATOM 773 CB ALA A 49 4.542 6.185 3.204 1.00 0.00 C ATOM 0 H ALA A 49 2.132 7.934 2.284 1.00 0.00 H new ATOM 0 HA ALA A 49 4.600 6.772 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.003 5.216 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.315 6.909 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.838 6.093 4.031 1.00 0.00 H new ATOM 779 N PHE A 50 3.165 5.171 0.144 1.00 0.00 N ATOM 780 CA PHE A 50 2.407 4.221 -0.662 1.00 0.00 C ATOM 781 C PHE A 50 3.353 3.049 -1.000 1.00 0.00 C ATOM 782 O PHE A 50 4.571 3.194 -0.982 1.00 0.00 O ATOM 783 CB PHE A 50 1.703 4.889 -1.884 1.00 0.00 C ATOM 784 CG PHE A 50 0.702 5.957 -1.492 1.00 0.00 C ATOM 785 CD1 PHE A 50 1.101 7.147 -0.882 1.00 0.00 C ATOM 786 CD2 PHE A 50 -0.656 5.768 -1.734 1.00 0.00 C ATOM 787 CE1 PHE A 50 0.170 8.101 -0.491 1.00 0.00 C ATOM 788 CE2 PHE A 50 -1.589 6.727 -1.357 1.00 0.00 C ATOM 789 CZ PHE A 50 -1.177 7.890 -0.726 1.00 0.00 C ATOM 0 H PHE A 50 4.032 5.464 -0.306 1.00 0.00 H new ATOM 0 HA PHE A 50 1.560 3.823 -0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.459 5.331 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.194 4.120 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.152 7.329 -0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.989 4.864 -2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.498 9.007 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.638 6.565 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.904 8.628 -0.419 1.00 0.00 H new ATOM 799 N SER A 51 2.728 1.886 -1.288 1.00 0.00 N ATOM 800 CA SER A 51 3.471 0.665 -1.603 1.00 0.00 C ATOM 801 C SER A 51 2.883 0.088 -2.912 1.00 0.00 C ATOM 802 O SER A 51 1.704 -0.244 -2.962 1.00 0.00 O ATOM 803 CB SER A 51 3.215 -0.378 -0.461 1.00 0.00 C ATOM 804 OG SER A 51 2.939 0.102 0.918 1.00 0.00 O ATOM 0 H SER A 51 1.714 1.776 -1.307 1.00 0.00 H new ATOM 0 HA SER A 51 4.537 0.872 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.371 -0.997 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.087 -1.030 -0.412 1.00 0.00 H new ATOM 0 HG SER A 51 2.066 0.546 0.941 1.00 0.00 H new ATOM 810 N LEU A 52 3.749 -0.029 -3.941 1.00 0.00 N ATOM 811 CA LEU A 52 3.295 -0.519 -5.245 1.00 0.00 C ATOM 812 C LEU A 52 3.604 -2.010 -5.472 1.00 0.00 C ATOM 813 O LEU A 52 4.729 -2.415 -5.737 1.00 0.00 O ATOM 814 CB LEU A 52 3.919 0.385 -6.320 1.00 0.00 C ATOM 815 CG LEU A 52 3.328 0.245 -7.734 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.796 0.236 -7.709 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.844 1.367 -8.650 1.00 0.00 C ATOM 0 H LEU A 52 4.741 0.204 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 52 2.208 -0.465 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.813 1.422 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.987 0.175 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 52 3.658 -0.714 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.416 0.136 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.447 -0.603 -7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.434 1.169 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.415 1.251 -9.645 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.553 2.334 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.931 1.313 -8.715 1.00 0.00 H new ATOM 829 N SER A 53 2.497 -2.780 -5.371 1.00 0.00 N ATOM 830 CA SER A 53 2.481 -4.226 -5.538 1.00 0.00 C ATOM 831 C SER A 53 2.254 -4.533 -7.033 1.00 0.00 C ATOM 832 O SER A 53 1.386 -3.943 -7.659 1.00 0.00 O ATOM 833 CB SER A 53 1.316 -4.788 -4.657 1.00 0.00 C ATOM 834 OG SER A 53 1.131 -4.306 -3.262 1.00 0.00 O ATOM 0 H SER A 53 1.576 -2.391 -5.166 1.00 0.00 H new ATOM 0 HA SER A 53 3.418 -4.689 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.386 -4.595 -5.191 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.439 -5.870 -4.611 1.00 0.00 H new ATOM 0 HG SER A 53 0.594 -4.954 -2.761 1.00 0.00 H new ATOM 840 N VAL A 54 3.074 -5.470 -7.568 1.00 0.00 N ATOM 841 CA VAL A 54 2.949 -5.866 -8.996 1.00 0.00 C ATOM 842 C VAL A 54 3.226 -7.352 -9.097 1.00 0.00 C ATOM 843 O VAL A 54 4.100 -7.806 -8.398 1.00 0.00 O ATOM 844 CB VAL A 54 3.986 -5.186 -9.912 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.831 -5.617 -11.377 1.00 0.00 C ATOM 846 CG2 VAL A 54 4.016 -3.692 -9.634 1.00 0.00 C ATOM 0 H VAL A 54 3.809 -5.954 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 54 1.948 -5.575 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 54 4.991 -5.534 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.582 -5.113 -11.986 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.965 -6.696 -11.455 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.836 -5.348 -11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.750 -3.216 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.031 -3.266 -9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.288 -3.521 -8.592 1.00 0.00 H new ATOM 856 N LYS A 55 2.549 -8.101 -9.990 1.00 0.00 N ATOM 857 CA LYS A 55 2.854 -9.542 -10.008 1.00 0.00 C ATOM 858 C LYS A 55 4.160 -9.884 -10.783 1.00 0.00 C ATOM 859 O LYS A 55 4.133 -9.861 -12.007 1.00 0.00 O ATOM 860 CB LYS A 55 1.629 -10.142 -10.703 1.00 0.00 C ATOM 861 CG LYS A 55 1.741 -11.526 -11.345 1.00 0.00 C ATOM 862 CD LYS A 55 2.312 -12.632 -10.475 1.00 0.00 C ATOM 863 CE LYS A 55 1.360 -13.033 -9.358 1.00 0.00 C ATOM 864 NZ LYS A 55 0.176 -13.706 -9.888 1.00 0.00 N ATOM 0 H LYS A 55 1.848 -7.770 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 55 3.033 -9.933 -9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.823 -10.184 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.317 -9.444 -11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.748 -11.830 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.361 -11.439 -12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.531 -13.502 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.257 -12.302 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.874 -13.692 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.058 -12.148 -8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.679 -13.269 -9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.160 -13.616 -10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.204 -14.713 -9.629 1.00 0.00 H new ATOM 878 N ASP A 56 5.300 -10.200 -10.076 1.00 0.00 N ATOM 879 CA ASP A 56 6.451 -10.578 -10.934 1.00 0.00 C ATOM 880 C ASP A 56 6.322 -12.042 -11.381 1.00 0.00 C ATOM 881 O ASP A 56 6.132 -12.951 -10.582 1.00 0.00 O ATOM 882 CB ASP A 56 7.867 -10.403 -10.354 1.00 0.00 C ATOM 883 CG ASP A 56 8.926 -10.405 -11.479 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.091 -9.383 -12.142 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.565 -11.436 -11.681 1.00 0.00 O ATOM 0 H ASP A 56 5.432 -10.202 -9.065 1.00 0.00 H new ATOM 0 HA ASP A 56 6.377 -9.859 -11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.924 -9.468 -9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.078 -11.207 -9.649 1.00 0.00 H new ATOM 890 N ILE A 57 6.437 -12.175 -12.716 1.00 0.00 N ATOM 891 CA ILE A 57 6.392 -13.476 -13.371 1.00 0.00 C ATOM 892 C ILE A 57 7.762 -13.707 -14.018 1.00 0.00 C ATOM 893 O ILE A 57 8.026 -13.344 -15.156 1.00 0.00 O ATOM 894 CB ILE A 57 5.218 -13.546 -14.355 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.913 -13.305 -13.576 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.193 -14.907 -15.075 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.625 -13.558 -14.339 1.00 0.00 C ATOM 0 H ILE A 57 6.562 -11.389 -13.355 1.00 0.00 H new ATOM 0 HA ILE A 57 6.208 -14.282 -12.660 1.00 0.00 H new ATOM 0 HB ILE A 57 5.329 -12.779 -15.121 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.919 -13.942 -12.691 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.908 -12.273 -13.226 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.353 -14.936 -15.769 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.123 -15.044 -15.626 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.085 -15.705 -14.341 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.772 -13.356 -13.691 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.583 -12.903 -15.209 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.594 -14.597 -14.666 1.00 0.00 H new ATOM 909 N THR A 58 8.599 -14.328 -13.169 1.00 0.00 N ATOM 910 CA THR A 58 9.976 -14.670 -13.504 1.00 0.00 C ATOM 911 C THR A 58 9.961 -15.953 -14.352 1.00 0.00 C ATOM 912 O THR A 58 10.079 -15.936 -15.568 1.00 0.00 O ATOM 913 CB THR A 58 10.823 -14.805 -12.188 1.00 0.00 C ATOM 914 OG1 THR A 58 12.021 -15.638 -12.249 1.00 0.00 O ATOM 915 CG2 THR A 58 9.941 -15.066 -10.921 1.00 0.00 C ATOM 0 H THR A 58 8.328 -14.605 -12.225 1.00 0.00 H new ATOM 0 HA THR A 58 10.451 -13.886 -14.094 1.00 0.00 H new ATOM 0 HB THR A 58 11.254 -13.810 -12.081 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.461 -15.642 -11.374 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.581 -15.150 -10.043 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.246 -14.238 -10.785 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.381 -15.992 -11.052 1.00 0.00 H new ATOM 923 N THR A 59 9.785 -17.042 -13.593 1.00 0.00 N ATOM 924 CA THR A 59 9.677 -18.432 -14.025 1.00 0.00 C ATOM 925 C THR A 59 10.018 -19.363 -12.860 1.00 0.00 C ATOM 926 O THR A 59 9.793 -20.565 -12.936 1.00 0.00 O ATOM 927 CB THR A 59 10.375 -18.932 -15.341 1.00 0.00 C ATOM 928 OG1 THR A 59 10.195 -20.359 -15.648 1.00 0.00 O ATOM 929 CG2 THR A 59 11.863 -18.490 -15.494 1.00 0.00 C ATOM 0 H THR A 59 9.709 -16.962 -12.579 1.00 0.00 H new ATOM 0 HA THR A 59 8.633 -18.468 -14.335 1.00 0.00 H new ATOM 0 HB THR A 59 9.815 -18.399 -16.109 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.960 -20.843 -14.829 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.264 -18.880 -16.430 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.920 -17.402 -15.500 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.446 -18.880 -14.659 1.00 0.00 H new ATOM 937 N GLN A 60 10.564 -18.752 -11.781 1.00 0.00 N ATOM 938 CA GLN A 60 10.925 -19.528 -10.596 1.00 0.00 C ATOM 939 C GLN A 60 10.011 -19.177 -9.402 1.00 0.00 C ATOM 940 O GLN A 60 10.265 -19.598 -8.282 1.00 0.00 O ATOM 941 CB GLN A 60 12.408 -19.327 -10.261 1.00 0.00 C ATOM 942 CG GLN A 60 13.341 -19.704 -11.434 1.00 0.00 C ATOM 943 CD GLN A 60 14.501 -18.712 -11.615 1.00 0.00 C ATOM 944 OE1 GLN A 60 14.983 -18.099 -10.671 1.00 0.00 O ATOM 945 NE2 GLN A 60 14.910 -18.595 -12.887 1.00 0.00 N ATOM 0 H GLN A 60 10.755 -17.752 -11.717 1.00 0.00 H new ATOM 0 HA GLN A 60 10.773 -20.586 -10.811 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.577 -18.285 -9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.664 -19.930 -9.390 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.745 -20.702 -11.264 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.760 -19.748 -12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.458 -19.141 -13.620 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.673 -17.960 -13.121 1.00 0.00 H new ATOM 954 N GLY A 61 8.945 -18.392 -9.689 1.00 0.00 N ATOM 955 CA GLY A 61 8.033 -18.029 -8.611 1.00 0.00 C ATOM 956 C GLY A 61 7.118 -16.855 -8.974 1.00 0.00 C ATOM 957 O GLY A 61 7.567 -15.762 -9.293 1.00 0.00 O ATOM 0 H GLY A 61 8.714 -18.021 -10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.421 -18.893 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.611 -17.771 -7.724 1.00 0.00 H new ATOM 961 N GLU A 62 5.804 -17.148 -8.886 1.00 0.00 N ATOM 962 CA GLU A 62 4.769 -16.162 -9.156 1.00 0.00 C ATOM 963 C GLU A 62 4.648 -15.295 -7.875 1.00 0.00 C ATOM 964 O GLU A 62 3.924 -15.633 -6.948 1.00 0.00 O ATOM 965 CB GLU A 62 3.485 -16.978 -9.413 1.00 0.00 C ATOM 966 CG GLU A 62 2.542 -16.282 -10.386 1.00 0.00 C ATOM 967 CD GLU A 62 1.228 -17.059 -10.595 1.00 0.00 C ATOM 968 OE1 GLU A 62 1.278 -18.193 -11.075 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.171 -16.515 -10.280 1.00 0.00 O ATOM 0 H GLU A 62 5.446 -18.068 -8.628 1.00 0.00 H new ATOM 0 HA GLU A 62 4.969 -15.510 -10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.753 -17.958 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.969 -17.146 -8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.314 -15.283 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.043 -16.158 -11.346 1.00 0.00 H new ATOM 976 N VAL A 63 5.419 -14.186 -7.859 1.00 0.00 N ATOM 977 CA VAL A 63 5.461 -13.310 -6.687 1.00 0.00 C ATOM 978 C VAL A 63 4.673 -12.027 -6.985 1.00 0.00 C ATOM 979 O VAL A 63 3.792 -11.988 -7.833 1.00 0.00 O ATOM 980 CB VAL A 63 6.954 -12.997 -6.400 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.758 -14.266 -6.088 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.607 -12.214 -7.557 1.00 0.00 C ATOM 0 H VAL A 63 6.009 -13.887 -8.635 1.00 0.00 H new ATOM 0 HA VAL A 63 5.009 -13.783 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 63 6.971 -12.365 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.797 -14.000 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.338 -14.756 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.711 -14.945 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.651 -12.015 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.551 -12.803 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.081 -11.270 -7.700 1.00 0.00 H new ATOM 992 N VAL A 64 5.055 -10.992 -6.207 1.00 0.00 N ATOM 993 CA VAL A 64 4.547 -9.641 -6.351 1.00 0.00 C ATOM 994 C VAL A 64 5.832 -8.763 -6.454 1.00 0.00 C ATOM 995 O VAL A 64 6.912 -9.245 -6.763 1.00 0.00 O ATOM 996 CB VAL A 64 3.483 -9.259 -5.273 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.730 -7.942 -5.514 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.355 -10.266 -5.270 1.00 0.00 C ATOM 0 H VAL A 64 5.736 -11.089 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 64 3.939 -9.488 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 64 4.081 -9.202 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.018 -7.777 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.441 -7.117 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.196 -7.997 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.621 -9.988 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.879 -10.282 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.751 -11.256 -5.043 1.00 0.00 H new ATOM 1008 N LYS A 65 5.618 -7.466 -6.230 1.00 0.00 N ATOM 1009 CA LYS A 65 6.571 -6.351 -6.174 1.00 0.00 C ATOM 1010 C LYS A 65 6.176 -5.445 -5.029 1.00 0.00 C ATOM 1011 O LYS A 65 5.154 -5.637 -4.394 1.00 0.00 O ATOM 1012 CB LYS A 65 6.569 -5.442 -7.420 1.00 0.00 C ATOM 1013 CG LYS A 65 7.535 -5.842 -8.512 1.00 0.00 C ATOM 1014 CD LYS A 65 7.252 -7.152 -9.177 1.00 0.00 C ATOM 1015 CE LYS A 65 7.366 -7.036 -10.703 1.00 0.00 C ATOM 1016 NZ LYS A 65 8.706 -6.682 -11.159 1.00 0.00 N ATOM 0 H LYS A 65 4.668 -7.132 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 65 7.554 -6.813 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.562 -5.426 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.801 -4.424 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.538 -5.062 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.539 -5.879 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.951 -7.906 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.251 -7.490 -8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.075 -7.984 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.660 -6.285 -11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.649 -5.873 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.295 -6.427 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.131 -7.493 -11.652 1.00 0.00 H new ATOM 1030 N HIS A 66 7.070 -4.449 -4.865 1.00 0.00 N ATOM 1031 CA HIS A 66 6.952 -3.388 -3.885 1.00 0.00 C ATOM 1032 C HIS A 66 7.824 -2.172 -4.318 1.00 0.00 C ATOM 1033 O HIS A 66 9.013 -2.334 -4.561 1.00 0.00 O ATOM 1034 CB HIS A 66 7.554 -3.871 -2.558 1.00 0.00 C ATOM 1035 CG HIS A 66 6.719 -4.949 -1.918 1.00 0.00 C ATOM 1036 ND1 HIS A 66 7.180 -6.189 -1.654 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.379 -4.871 -1.508 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.149 -6.850 -1.098 1.00 0.00 C ATOM 1039 NE2 HIS A 66 5.053 -6.077 -0.998 1.00 0.00 N ATOM 0 H HIS A 66 7.913 -4.372 -5.435 1.00 0.00 H new ATOM 0 HA HIS A 66 5.900 -3.117 -3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.561 -4.249 -2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.645 -3.028 -1.873 1.00 0.00 H new ATOM 0 HD1 HIS A 66 8.116 -6.550 -1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.732 -4.010 -1.586 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.196 -7.878 -0.771 1.00 0.00 H new ATOM 1047 N TYR A 67 7.205 -0.970 -4.396 1.00 0.00 N ATOM 1048 CA TYR A 67 7.949 0.261 -4.716 1.00 0.00 C ATOM 1049 C TYR A 67 7.421 1.350 -3.773 1.00 0.00 C ATOM 1050 O TYR A 67 6.223 1.589 -3.692 1.00 0.00 O ATOM 1051 CB TYR A 67 7.870 0.741 -6.179 1.00 0.00 C ATOM 1052 CG TYR A 67 8.417 -0.265 -7.148 1.00 0.00 C ATOM 1053 CD1 TYR A 67 7.615 -1.288 -7.637 1.00 0.00 C ATOM 1054 CD2 TYR A 67 9.734 -0.172 -7.577 1.00 0.00 C ATOM 1055 CE1 TYR A 67 8.119 -2.207 -8.545 1.00 0.00 C ATOM 1056 CE2 TYR A 67 10.253 -1.082 -8.485 1.00 0.00 C ATOM 1057 CZ TYR A 67 9.448 -2.120 -8.973 1.00 0.00 C ATOM 1058 OH TYR A 67 9.930 -3.029 -9.906 1.00 0.00 O ATOM 0 H TYR A 67 6.206 -0.832 -4.243 1.00 0.00 H new ATOM 0 HA TYR A 67 9.008 0.043 -4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.831 0.955 -6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.422 1.675 -6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.590 -1.369 -7.307 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.363 0.620 -7.198 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.483 -2.993 -8.923 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.277 -0.991 -8.816 1.00 0.00 H new ATOM 0 HH TYR A 67 9.244 -3.195 -10.586 1.00 0.00 H new ATOM 1068 N LYS A 68 8.384 1.973 -3.059 1.00 0.00 N ATOM 1069 CA LYS A 68 8.056 3.016 -2.091 1.00 0.00 C ATOM 1070 C LYS A 68 7.984 4.431 -2.727 1.00 0.00 C ATOM 1071 O LYS A 68 8.948 5.071 -3.126 1.00 0.00 O ATOM 1072 CB LYS A 68 8.976 2.982 -0.857 1.00 0.00 C ATOM 1073 CG LYS A 68 10.390 2.459 -1.118 1.00 0.00 C ATOM 1074 CD LYS A 68 11.167 3.257 -2.168 1.00 0.00 C ATOM 1075 CE LYS A 68 11.605 4.642 -1.681 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.326 5.369 -2.719 1.00 0.00 N ATOM 0 H LYS A 68 9.380 1.768 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 68 7.049 2.789 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.047 3.990 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.510 2.360 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.949 2.470 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.328 1.419 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.049 2.689 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.547 3.372 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.730 5.215 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.240 4.536 -0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.445 6.361 -2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.260 4.935 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.787 5.330 -3.608 1.00 0.00 H new ATOM 1090 N ILE A 69 6.712 4.833 -2.725 1.00 0.00 N ATOM 1091 CA ILE A 69 6.117 6.073 -3.191 1.00 0.00 C ATOM 1092 C ILE A 69 5.715 7.018 -2.087 1.00 0.00 C ATOM 1093 O ILE A 69 4.849 6.748 -1.274 1.00 0.00 O ATOM 1094 CB ILE A 69 5.065 5.837 -4.260 1.00 0.00 C ATOM 1095 CG1 ILE A 69 4.436 4.466 -4.084 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.413 6.324 -5.652 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.252 4.263 -4.961 1.00 0.00 C ATOM 0 H ILE A 69 5.992 4.216 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 69 6.910 6.625 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 69 4.239 6.529 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.179 3.699 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.139 4.338 -3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.590 6.103 -6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.585 7.400 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.315 5.820 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.842 3.267 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.494 5.011 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.551 4.362 -6.005 1.00 0.00 H new ATOM 1109 N ARG A 70 6.420 8.151 -2.130 1.00 0.00 N ATOM 1110 CA ARG A 70 6.155 9.206 -1.183 1.00 0.00 C ATOM 1111 C ARG A 70 5.305 10.198 -1.933 1.00 0.00 C ATOM 1112 O ARG A 70 5.246 10.162 -3.151 1.00 0.00 O ATOM 1113 CB ARG A 70 7.460 9.832 -0.689 1.00 0.00 C ATOM 1114 CG ARG A 70 8.139 8.953 0.364 1.00 0.00 C ATOM 1115 CD ARG A 70 8.964 7.869 -0.307 1.00 0.00 C ATOM 1116 NE ARG A 70 9.334 6.830 0.646 1.00 0.00 N ATOM 1117 CZ ARG A 70 8.428 5.948 1.121 1.00 0.00 C ATOM 1118 NH1 ARG A 70 7.176 5.941 0.681 1.00 0.00 N ATOM 1119 NH2 ARG A 70 8.797 5.067 2.042 1.00 0.00 N ATOM 0 H ARG A 70 7.162 8.348 -2.801 1.00 0.00 H new ATOM 0 HA ARG A 70 5.647 8.844 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.136 9.980 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.256 10.816 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.778 9.565 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.387 8.500 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.396 7.430 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.863 8.307 -0.740 1.00 0.00 H new ATOM 0 HE ARG A 70 10.302 6.767 0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.881 6.611 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.508 5.266 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.758 5.060 2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.120 4.397 2.407 1.00 0.00 H new ATOM 1133 N SER A 71 4.637 11.039 -1.133 1.00 0.00 N ATOM 1134 CA SER A 71 3.777 12.072 -1.713 1.00 0.00 C ATOM 1135 C SER A 71 4.410 13.430 -1.402 1.00 0.00 C ATOM 1136 O SER A 71 4.557 13.813 -0.246 1.00 0.00 O ATOM 1137 CB SER A 71 2.329 12.055 -1.154 1.00 0.00 C ATOM 1138 OG SER A 71 2.015 12.873 0.046 1.00 0.00 O ATOM 0 H SER A 71 4.674 11.026 -0.114 1.00 0.00 H new ATOM 0 HA SER A 71 3.701 11.881 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.662 12.375 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.077 11.020 -0.923 1.00 0.00 H new ATOM 0 HG SER A 71 1.479 12.343 0.672 1.00 0.00 H new ATOM 1144 N LEU A 72 4.772 14.121 -2.499 1.00 0.00 N ATOM 1145 CA LEU A 72 5.439 15.401 -2.419 1.00 0.00 C ATOM 1146 C LEU A 72 4.488 16.513 -2.826 1.00 0.00 C ATOM 1147 O LEU A 72 3.737 16.419 -3.789 1.00 0.00 O ATOM 1148 CB LEU A 72 6.661 15.387 -3.353 1.00 0.00 C ATOM 1149 CG LEU A 72 7.393 14.056 -3.378 1.00 0.00 C ATOM 1150 CD1 LEU A 72 7.664 13.559 -1.949 1.00 0.00 C ATOM 1151 CD2 LEU A 72 6.695 13.056 -4.319 1.00 0.00 C ATOM 0 H LEU A 72 4.605 13.797 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 72 5.762 15.580 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.337 15.633 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.355 16.168 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 72 8.383 14.182 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.189 12.605 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.277 14.289 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.718 13.431 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.241 12.113 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.674 12.886 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.675 13.461 -5.331 1.00 0.00 H new ATOM 1163 N ASP A 73 4.604 17.571 -2.010 1.00 0.00 N ATOM 1164 CA ASP A 73 3.807 18.777 -2.232 1.00 0.00 C ATOM 1165 C ASP A 73 4.287 19.530 -3.491 1.00 0.00 C ATOM 1166 O ASP A 73 3.527 20.203 -4.175 1.00 0.00 O ATOM 1167 CB ASP A 73 3.884 19.698 -1.003 1.00 0.00 C ATOM 1168 CG ASP A 73 5.332 19.979 -0.555 1.00 0.00 C ATOM 1169 OD1 ASP A 73 5.871 19.184 0.216 1.00 0.00 O ATOM 1170 OD2 ASP A 73 5.897 20.983 -0.982 1.00 0.00 O ATOM 0 H ASP A 73 5.231 17.613 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 73 2.771 18.477 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.390 20.642 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.336 19.242 -0.179 1.00 0.00 H new ATOM 1175 N ASN A 74 5.600 19.337 -3.734 1.00 0.00 N ATOM 1176 CA ASN A 74 6.296 19.947 -4.854 1.00 0.00 C ATOM 1177 C ASN A 74 6.593 18.947 -5.992 1.00 0.00 C ATOM 1178 O ASN A 74 7.271 19.286 -6.954 1.00 0.00 O ATOM 1179 CB ASN A 74 7.611 20.533 -4.309 1.00 0.00 C ATOM 1180 CG ASN A 74 8.497 19.460 -3.648 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.448 19.230 -2.448 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.301 18.817 -4.507 1.00 0.00 N ATOM 0 H ASN A 74 6.196 18.750 -3.150 1.00 0.00 H new ATOM 0 HA ASN A 74 5.659 20.717 -5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.161 21.005 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.385 21.313 -3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.924 18.083 -4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.289 19.062 -5.497 1.00 0.00 H new ATOM 1189 N GLY A 75 6.076 17.710 -5.840 1.00 0.00 N ATOM 1190 CA GLY A 75 6.376 16.730 -6.885 1.00 0.00 C ATOM 1191 C GLY A 75 5.532 15.449 -6.889 1.00 0.00 C ATOM 1192 O GLY A 75 6.035 14.390 -7.230 1.00 0.00 O ATOM 0 H GLY A 75 5.495 17.389 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.259 17.218 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.425 16.447 -6.795 1.00 0.00 H new ATOM 1196 N GLY A 76 4.255 15.579 -6.483 1.00 0.00 N ATOM 1197 CA GLY A 76 3.281 14.493 -6.496 1.00 0.00 C ATOM 1198 C GLY A 76 3.679 13.179 -5.846 1.00 0.00 C ATOM 1199 O GLY A 76 3.359 12.948 -4.694 1.00 0.00 O ATOM 0 H GLY A 76 3.874 16.458 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.375 14.849 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.021 14.288 -7.535 1.00 0.00 H new ATOM 1203 N TYR A 77 4.348 12.319 -6.661 1.00 0.00 N ATOM 1204 CA TYR A 77 4.786 11.020 -6.160 1.00 0.00 C ATOM 1205 C TYR A 77 6.067 10.597 -6.854 1.00 0.00 C ATOM 1206 O TYR A 77 6.227 10.736 -8.061 1.00 0.00 O ATOM 1207 CB TYR A 77 3.771 9.884 -6.372 1.00 0.00 C ATOM 1208 CG TYR A 77 2.548 10.074 -5.536 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.512 10.834 -6.026 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.425 9.476 -4.297 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.323 10.989 -5.335 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.254 9.620 -3.574 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.175 10.342 -4.102 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.038 10.385 -3.428 1.00 0.00 O ATOM 0 H TYR A 77 4.583 12.508 -7.636 1.00 0.00 H new ATOM 0 HA TYR A 77 4.918 11.166 -5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.489 9.839 -7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.236 8.930 -6.125 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.630 11.326 -6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.242 8.897 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.474 11.596 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.171 9.172 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.042 9.709 -2.718 1.00 0.00 H new ATOM 1224 N TYR A 78 6.952 10.044 -5.993 1.00 0.00 N ATOM 1225 CA TYR A 78 8.223 9.536 -6.502 1.00 0.00 C ATOM 1226 C TYR A 78 8.464 8.110 -5.964 1.00 0.00 C ATOM 1227 O TYR A 78 8.464 7.886 -4.761 1.00 0.00 O ATOM 1228 CB TYR A 78 9.401 10.500 -6.199 1.00 0.00 C ATOM 1229 CG TYR A 78 10.066 10.342 -4.851 1.00 0.00 C ATOM 1230 CD1 TYR A 78 10.964 9.301 -4.650 1.00 0.00 C ATOM 1231 CD2 TYR A 78 9.808 11.210 -3.795 1.00 0.00 C ATOM 1232 CE1 TYR A 78 11.575 9.087 -3.431 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.425 11.013 -2.563 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.316 9.950 -2.366 1.00 0.00 C ATOM 1235 OH TYR A 78 11.909 9.727 -1.128 1.00 0.00 O ATOM 0 H TYR A 78 6.810 9.945 -4.988 1.00 0.00 H new ATOM 0 HA TYR A 78 8.168 9.481 -7.589 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.158 10.368 -6.972 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.036 11.524 -6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.191 8.639 -5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.128 12.038 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.251 8.255 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.214 11.689 -1.748 1.00 0.00 H new ATOM 0 HH TYR A 78 11.623 10.421 -0.498 1.00 0.00 H new ATOM 1245 N ILE A 79 8.643 7.164 -6.917 1.00 0.00 N ATOM 1246 CA ILE A 79 8.973 5.770 -6.553 1.00 0.00 C ATOM 1247 C ILE A 79 10.499 5.743 -6.358 1.00 0.00 C ATOM 1248 O ILE A 79 11.021 5.408 -5.301 1.00 0.00 O ATOM 1249 CB ILE A 79 8.407 4.700 -7.519 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.275 5.243 -8.941 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.130 3.977 -7.051 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.710 4.210 -9.898 1.00 0.00 C ATOM 0 H ILE A 79 8.566 7.336 -7.919 1.00 0.00 H new ATOM 0 HA ILE A 79 8.472 5.478 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 79 9.159 3.911 -7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.630 6.121 -8.934 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.253 5.569 -9.296 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.825 3.251 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.327 3.462 -6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.332 4.705 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.634 4.642 -10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.369 3.342 -9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.720 3.903 -9.560 1.00 0.00 H new ATOM 1264 N SER A 80 11.150 6.170 -7.457 1.00 0.00 N ATOM 1265 CA SER A 80 12.593 6.342 -7.520 1.00 0.00 C ATOM 1266 C SER A 80 12.719 7.877 -7.562 1.00 0.00 C ATOM 1267 O SER A 80 11.968 8.513 -8.288 1.00 0.00 O ATOM 1268 CB SER A 80 13.176 5.695 -8.818 1.00 0.00 C ATOM 1269 OG SER A 80 12.717 4.365 -9.292 1.00 0.00 O ATOM 0 H SER A 80 10.674 6.404 -8.328 1.00 0.00 H new ATOM 0 HA SER A 80 13.135 5.874 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.000 6.400 -9.631 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.255 5.628 -8.682 1.00 0.00 H new ATOM 0 HG SER A 80 13.192 4.129 -10.116 1.00 0.00 H new ATOM 1275 N PRO A 81 13.652 8.491 -6.785 1.00 0.00 N ATOM 1276 CA PRO A 81 13.762 9.953 -6.786 1.00 0.00 C ATOM 1277 C PRO A 81 14.135 10.583 -8.147 1.00 0.00 C ATOM 1278 O PRO A 81 13.925 11.767 -8.370 1.00 0.00 O ATOM 1279 CB PRO A 81 14.817 10.248 -5.706 1.00 0.00 C ATOM 1280 CG PRO A 81 14.984 8.951 -4.915 1.00 0.00 C ATOM 1281 CD PRO A 81 14.576 7.838 -5.865 1.00 0.00 C ATOM 0 HA PRO A 81 12.792 10.406 -6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.761 10.555 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.494 11.062 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.014 8.825 -4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.359 8.953 -4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.437 7.423 -6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.098 7.014 -5.335 1.00 0.00 H new ATOM 1289 N ARG A 82 14.649 9.710 -9.045 1.00 0.00 N ATOM 1290 CA ARG A 82 15.045 10.113 -10.394 1.00 0.00 C ATOM 1291 C ARG A 82 13.818 10.281 -11.327 1.00 0.00 C ATOM 1292 O ARG A 82 13.906 10.889 -12.386 1.00 0.00 O ATOM 1293 CB ARG A 82 16.120 9.139 -10.909 1.00 0.00 C ATOM 1294 CG ARG A 82 15.603 7.746 -11.305 1.00 0.00 C ATOM 1295 CD ARG A 82 15.436 7.621 -12.822 1.00 0.00 C ATOM 1296 NE ARG A 82 14.694 6.406 -13.145 1.00 0.00 N ATOM 1297 CZ ARG A 82 14.066 6.209 -14.328 1.00 0.00 C ATOM 1298 NH1 ARG A 82 14.150 7.092 -15.315 1.00 0.00 N ATOM 1299 NH2 ARG A 82 13.345 5.108 -14.507 1.00 0.00 N ATOM 0 H ARG A 82 14.795 8.720 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 82 15.496 11.105 -10.377 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.610 9.587 -11.774 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.881 9.021 -10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.297 6.984 -10.950 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.647 7.559 -10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.910 8.493 -13.211 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.414 7.598 -13.303 1.00 0.00 H new ATOM 0 HE ARG A 82 14.646 5.667 -12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.698 7.944 -15.192 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.667 6.919 -16.197 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.269 4.421 -13.757 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.868 4.950 -15.394 1.00 0.00 H new ATOM 1313 N ILE A 83 12.680 9.718 -10.859 1.00 0.00 N ATOM 1314 CA ILE A 83 11.393 9.775 -11.547 1.00 0.00 C ATOM 1315 C ILE A 83 10.257 10.080 -10.561 1.00 0.00 C ATOM 1316 O ILE A 83 9.806 9.274 -9.751 1.00 0.00 O ATOM 1317 CB ILE A 83 11.098 8.537 -12.356 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.498 7.293 -11.584 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.789 8.617 -13.717 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.710 6.144 -12.128 1.00 0.00 C ATOM 0 H ILE A 83 12.642 9.206 -9.978 1.00 0.00 H new ATOM 0 HA ILE A 83 11.461 10.595 -12.262 1.00 0.00 H new ATOM 0 HB ILE A 83 10.025 8.474 -12.538 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.567 7.106 -11.688 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.299 7.423 -10.520 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.568 7.717 -14.291 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.426 9.491 -14.258 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.866 8.700 -13.574 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.977 5.233 -11.591 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.645 6.341 -12.002 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.933 6.019 -13.188 1.00 0.00 H new ATOM 1332 N THR A 84 9.848 11.336 -10.775 1.00 0.00 N ATOM 1333 CA THR A 84 8.809 12.019 -10.043 1.00 0.00 C ATOM 1334 C THR A 84 7.669 12.312 -11.037 1.00 0.00 C ATOM 1335 O THR A 84 7.864 12.366 -12.246 1.00 0.00 O ATOM 1336 CB THR A 84 9.486 13.316 -9.522 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.928 13.325 -9.234 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.717 13.832 -8.300 1.00 0.00 C ATOM 0 H THR A 84 10.261 11.920 -11.502 1.00 0.00 H new ATOM 0 HA THR A 84 8.385 11.457 -9.211 1.00 0.00 H new ATOM 0 HB THR A 84 9.429 13.969 -10.393 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.193 14.214 -8.918 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.189 14.743 -7.931 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.686 14.046 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.728 13.074 -7.516 1.00 0.00 H new ATOM 1346 N PHE A 85 6.483 12.492 -10.433 1.00 0.00 N ATOM 1347 CA PHE A 85 5.248 12.708 -11.199 1.00 0.00 C ATOM 1348 C PHE A 85 4.343 13.681 -10.418 1.00 0.00 C ATOM 1349 O PHE A 85 4.513 13.825 -9.223 1.00 0.00 O ATOM 1350 CB PHE A 85 4.570 11.327 -11.347 1.00 0.00 C ATOM 1351 CG PHE A 85 5.425 10.352 -12.122 1.00 0.00 C ATOM 1352 CD1 PHE A 85 5.343 10.285 -13.510 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.319 9.508 -11.462 1.00 0.00 C ATOM 1354 CE1 PHE A 85 6.146 9.399 -14.222 1.00 0.00 C ATOM 1355 CE2 PHE A 85 7.120 8.622 -12.170 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.038 8.570 -13.553 1.00 0.00 C ATOM 0 H PHE A 85 6.355 12.492 -9.421 1.00 0.00 H new ATOM 0 HA PHE A 85 5.443 13.139 -12.181 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.362 10.919 -10.358 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.611 11.447 -11.851 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.652 10.925 -14.038 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.389 9.544 -10.385 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.076 9.356 -15.299 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.806 7.974 -11.644 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.665 7.888 -14.108 1.00 0.00 H new ATOM 1366 N PRO A 86 3.370 14.351 -11.109 1.00 0.00 N ATOM 1367 CA PRO A 86 2.452 15.299 -10.445 1.00 0.00 C ATOM 1368 C PRO A 86 1.402 14.606 -9.547 1.00 0.00 C ATOM 1369 O PRO A 86 0.776 15.226 -8.695 1.00 0.00 O ATOM 1370 CB PRO A 86 1.764 16.008 -11.625 1.00 0.00 C ATOM 1371 CG PRO A 86 1.870 15.021 -12.793 1.00 0.00 C ATOM 1372 CD PRO A 86 3.175 14.270 -12.554 1.00 0.00 C ATOM 0 HA PRO A 86 2.988 15.967 -9.771 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.724 16.238 -11.395 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.255 16.952 -11.860 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.020 14.339 -12.813 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.883 15.542 -13.750 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.107 13.235 -12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.004 14.727 -13.095 1.00 0.00 H new ATOM 1380 N THR A 87 1.277 13.288 -9.773 1.00 0.00 N ATOM 1381 CA THR A 87 0.396 12.407 -9.013 1.00 0.00 C ATOM 1382 C THR A 87 0.735 11.002 -9.486 1.00 0.00 C ATOM 1383 O THR A 87 1.450 10.824 -10.466 1.00 0.00 O ATOM 1384 CB THR A 87 -1.137 12.585 -9.193 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.033 11.637 -8.516 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.488 12.821 -10.666 1.00 0.00 C ATOM 0 H THR A 87 1.798 12.803 -10.504 1.00 0.00 H new ATOM 0 HA THR A 87 0.574 12.635 -7.962 1.00 0.00 H new ATOM 0 HB THR A 87 -1.357 13.486 -8.621 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.964 11.868 -8.715 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.566 12.943 -10.768 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.986 13.721 -11.020 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.162 11.967 -11.259 1.00 0.00 H new ATOM 1394 N LEU A 88 0.169 10.009 -8.772 1.00 0.00 N ATOM 1395 CA LEU A 88 0.440 8.662 -9.216 1.00 0.00 C ATOM 1396 C LEU A 88 -0.235 8.422 -10.577 1.00 0.00 C ATOM 1397 O LEU A 88 0.269 7.606 -11.315 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.094 7.562 -8.289 1.00 0.00 C ATOM 1399 CG LEU A 88 0.313 7.603 -6.822 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.618 6.682 -6.062 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.735 7.100 -6.600 1.00 0.00 C ATOM 0 H LEU A 88 -0.429 10.113 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 88 1.528 8.595 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.183 7.587 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.220 6.601 -8.696 1.00 0.00 H new ATOM 0 HG LEU A 88 0.259 8.638 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.353 6.688 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.646 7.025 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.526 5.669 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.977 7.149 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.814 6.068 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.433 7.722 -7.160 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.336 9.132 -10.956 1.00 0.00 N ATOM 1414 CA GLN A 89 -1.894 8.686 -12.259 1.00 0.00 C ATOM 1415 C GLN A 89 -0.914 8.763 -13.449 1.00 0.00 C ATOM 1416 O GLN A 89 -0.952 7.911 -14.319 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.314 9.153 -12.635 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.660 10.616 -12.418 1.00 0.00 C ATOM 1419 CD GLN A 89 -2.995 11.649 -13.349 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.332 11.138 -14.393 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -3.101 12.849 -13.144 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.796 9.899 -10.466 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.038 7.629 -12.036 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.474 8.924 -13.689 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.025 8.553 -12.067 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.740 10.724 -12.513 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.403 10.874 -11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.619 13.184 -12.331 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.672 13.516 -13.786 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.040 9.785 -13.435 1.00 0.00 N ATOM 1431 CA ALA A 90 0.915 9.944 -14.537 1.00 0.00 C ATOM 1432 C ALA A 90 1.994 8.842 -14.518 1.00 0.00 C ATOM 1433 O ALA A 90 2.579 8.480 -15.529 1.00 0.00 O ATOM 1434 CB ALA A 90 1.570 11.323 -14.419 1.00 0.00 C ATOM 0 H ALA A 90 0.023 10.489 -12.699 1.00 0.00 H new ATOM 0 HA ALA A 90 0.379 9.857 -15.482 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.284 11.458 -15.232 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.804 12.096 -14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.089 11.399 -13.464 1.00 0.00 H new ATOM 1440 N LEU A 91 2.202 8.335 -13.295 1.00 0.00 N ATOM 1441 CA LEU A 91 3.148 7.272 -13.016 1.00 0.00 C ATOM 1442 C LEU A 91 2.554 5.946 -13.533 1.00 0.00 C ATOM 1443 O LEU A 91 3.240 5.124 -14.120 1.00 0.00 O ATOM 1444 CB LEU A 91 3.392 7.380 -11.494 1.00 0.00 C ATOM 1445 CG LEU A 91 3.913 6.171 -10.707 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.442 6.646 -9.348 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.787 5.188 -10.403 1.00 0.00 C ATOM 0 H LEU A 91 1.705 8.664 -12.467 1.00 0.00 H new ATOM 0 HA LEU A 91 4.114 7.334 -13.518 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.098 8.196 -11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.450 7.681 -11.036 1.00 0.00 H new ATOM 0 HG LEU A 91 4.685 5.693 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.814 5.791 -8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.252 7.359 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.637 7.126 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.185 4.341 -9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.020 5.686 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.351 4.834 -11.337 1.00 0.00 H new ATOM 1459 N VAL A 92 1.229 5.823 -13.316 1.00 0.00 N ATOM 1460 CA VAL A 92 0.441 4.660 -13.684 1.00 0.00 C ATOM 1461 C VAL A 92 -0.092 4.763 -15.137 1.00 0.00 C ATOM 1462 O VAL A 92 -0.705 3.827 -15.628 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.677 4.556 -12.614 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.414 3.241 -12.570 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.143 4.628 -11.194 1.00 0.00 C ATOM 0 H VAL A 92 0.677 6.555 -12.869 1.00 0.00 H new ATOM 0 HA VAL A 92 1.036 3.747 -13.691 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.317 5.386 -12.914 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.173 3.275 -11.788 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.893 3.060 -13.532 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.710 2.436 -12.358 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.971 4.550 -10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.555 3.808 -11.026 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.371 5.578 -11.046 1.00 0.00 H new ATOM 1475 N GLN A 93 0.186 5.921 -15.800 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.253 6.150 -17.184 1.00 0.00 C ATOM 1477 C GLN A 93 0.889 5.681 -18.103 1.00 0.00 C ATOM 1478 O GLN A 93 0.749 4.863 -19.007 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.750 7.589 -17.487 1.00 0.00 C ATOM 1480 CG GLN A 93 0.263 8.637 -17.975 1.00 0.00 C ATOM 1481 CD GLN A 93 0.646 8.476 -19.461 1.00 0.00 C ATOM 1482 OE1 GLN A 93 0.111 7.651 -20.191 1.00 0.00 O ATOM 1483 NE2 GLN A 93 1.614 9.319 -19.849 1.00 0.00 N ATOM 0 H GLN A 93 0.708 6.697 -15.392 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.154 5.566 -17.371 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.536 7.515 -18.239 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.213 7.976 -16.579 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.153 9.633 -17.821 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.165 8.571 -17.366 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.012 9.980 -19.182 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.952 9.299 -20.811 1.00 0.00 H new ATOM 1492 N HIS A 94 2.049 6.265 -17.729 1.00 0.00 N ATOM 1493 CA HIS A 94 3.342 6.042 -18.349 1.00 0.00 C ATOM 1494 C HIS A 94 3.673 4.549 -18.274 1.00 0.00 C ATOM 1495 O HIS A 94 4.240 3.966 -19.189 1.00 0.00 O ATOM 1496 CB HIS A 94 4.342 6.903 -17.550 1.00 0.00 C ATOM 1497 CG HIS A 94 5.797 6.642 -17.881 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.778 6.773 -16.961 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.384 6.244 -19.095 1.00 0.00 C ATOM 1500 CE1 HIS A 94 7.924 6.461 -17.586 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.717 6.137 -18.878 1.00 0.00 N ATOM 0 H HIS A 94 2.095 6.928 -16.955 1.00 0.00 H new ATOM 0 HA HIS A 94 3.370 6.321 -19.402 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.124 7.955 -17.733 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.187 6.725 -16.486 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.869 6.058 -20.026 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.894 6.469 -17.111 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.426 5.864 -19.559 1.00 0.00 H new ATOM 1509 N TYR A 95 3.242 3.979 -17.126 1.00 0.00 N ATOM 1510 CA TYR A 95 3.482 2.569 -16.885 1.00 0.00 C ATOM 1511 C TYR A 95 2.527 1.666 -17.661 1.00 0.00 C ATOM 1512 O TYR A 95 2.870 0.530 -17.960 1.00 0.00 O ATOM 1513 CB TYR A 95 3.593 2.280 -15.389 1.00 0.00 C ATOM 1514 CG TYR A 95 4.859 2.838 -14.775 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.840 3.497 -15.518 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.077 2.669 -13.417 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.017 3.928 -14.945 1.00 0.00 C ATOM 1518 CE2 TYR A 95 6.257 3.095 -12.826 1.00 0.00 C ATOM 1519 CZ TYR A 95 7.267 3.678 -13.596 1.00 0.00 C ATOM 1520 OH TYR A 95 8.504 3.962 -13.033 1.00 0.00 O ATOM 0 H TYR A 95 2.743 4.469 -16.383 1.00 0.00 H new ATOM 0 HA TYR A 95 4.457 2.309 -17.298 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.729 2.704 -14.877 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.562 1.202 -15.229 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.672 3.674 -16.570 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.317 2.199 -12.810 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.745 4.459 -15.540 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.397 2.975 -11.762 1.00 0.00 H new ATOM 0 HH TYR A 95 9.215 3.652 -13.632 1.00 0.00 H new ATOM 1530 N SER A 96 1.334 2.199 -18.003 1.00 0.00 N ATOM 1531 CA SER A 96 0.422 1.362 -18.796 1.00 0.00 C ATOM 1532 C SER A 96 0.987 1.077 -20.207 1.00 0.00 C ATOM 1533 O SER A 96 0.503 0.196 -20.909 1.00 0.00 O ATOM 1534 CB SER A 96 -0.972 2.048 -18.915 1.00 0.00 C ATOM 1535 OG SER A 96 -1.722 2.461 -17.706 1.00 0.00 O ATOM 0 H SER A 96 1.001 3.133 -17.763 1.00 0.00 H new ATOM 0 HA SER A 96 0.317 0.409 -18.277 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.839 2.939 -19.529 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.616 1.369 -19.474 1.00 0.00 H new ATOM 0 HG SER A 96 -1.151 3.025 -17.144 1.00 0.00 H new ATOM 1541 N LYS A 97 2.032 1.857 -20.568 1.00 0.00 N ATOM 1542 CA LYS A 97 2.681 1.699 -21.865 1.00 0.00 C ATOM 1543 C LYS A 97 4.046 1.010 -21.790 1.00 0.00 C ATOM 1544 O LYS A 97 4.313 0.054 -22.506 1.00 0.00 O ATOM 1545 CB LYS A 97 2.853 3.109 -22.460 1.00 0.00 C ATOM 1546 CG LYS A 97 1.567 3.642 -23.086 1.00 0.00 C ATOM 1547 CD LYS A 97 1.310 2.916 -24.403 1.00 0.00 C ATOM 1548 CE LYS A 97 0.090 3.452 -25.155 1.00 0.00 C ATOM 1549 NZ LYS A 97 -0.106 2.785 -26.439 1.00 0.00 N ATOM 0 H LYS A 97 2.430 2.589 -19.980 1.00 0.00 H new ATOM 0 HA LYS A 97 2.055 1.056 -22.483 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.182 3.792 -21.677 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.639 3.087 -23.215 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.729 3.493 -22.406 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.650 4.715 -23.259 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.190 3.007 -25.039 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.169 1.854 -24.204 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.800 3.320 -24.540 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.208 4.523 -25.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.943 3.181 -26.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.731 2.932 -27.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.246 1.766 -26.283 1.00 0.00 H new ATOM 1563 N LYS A 98 4.884 1.570 -20.916 1.00 0.00 N ATOM 1564 CA LYS A 98 6.236 1.086 -20.696 1.00 0.00 C ATOM 1565 C LYS A 98 6.394 0.600 -19.248 1.00 0.00 C ATOM 1566 O LYS A 98 5.559 0.856 -18.401 1.00 0.00 O ATOM 1567 CB LYS A 98 7.140 2.262 -20.993 1.00 0.00 C ATOM 1568 CG LYS A 98 8.575 1.830 -21.270 1.00 0.00 C ATOM 1569 CD LYS A 98 9.356 3.030 -21.747 1.00 0.00 C ATOM 1570 CE LYS A 98 9.251 3.281 -23.255 1.00 0.00 C ATOM 1571 NZ LYS A 98 10.006 4.464 -23.657 1.00 0.00 N ATOM 0 H LYS A 98 4.637 2.376 -20.341 1.00 0.00 H new ATOM 0 HA LYS A 98 6.482 0.236 -21.333 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.754 2.806 -21.855 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.126 2.951 -20.148 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.027 1.419 -20.367 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.594 1.042 -22.023 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.004 3.915 -21.216 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.405 2.896 -21.483 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.622 2.411 -23.796 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.204 3.406 -23.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.912 4.603 -24.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.635 5.298 -23.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.009 4.334 -23.415 1.00 0.00 H new ATOM 1585 N GLY A 99 7.498 -0.136 -19.017 1.00 0.00 N ATOM 1586 CA GLY A 99 7.808 -0.618 -17.671 1.00 0.00 C ATOM 1587 C GLY A 99 8.548 0.481 -16.901 1.00 0.00 C ATOM 1588 O GLY A 99 8.267 0.802 -15.754 1.00 0.00 O ATOM 0 H GLY A 99 8.174 -0.402 -19.733 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.891 -0.890 -17.149 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.422 -1.517 -17.726 1.00 0.00 H new ATOM 1592 N ASP A 100 9.512 1.018 -17.671 1.00 0.00 N ATOM 1593 CA ASP A 100 10.427 2.105 -17.337 1.00 0.00 C ATOM 1594 C ASP A 100 10.940 2.056 -15.885 1.00 0.00 C ATOM 1595 O ASP A 100 10.684 2.920 -15.053 1.00 0.00 O ATOM 1596 CB ASP A 100 9.834 3.471 -17.723 1.00 0.00 C ATOM 1597 CG ASP A 100 10.945 4.527 -17.909 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.355 5.146 -16.925 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.393 4.712 -19.041 1.00 0.00 O ATOM 0 H ASP A 100 9.677 0.670 -18.615 1.00 0.00 H new ATOM 0 HA ASP A 100 11.320 1.959 -17.945 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.261 3.375 -18.646 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.140 3.801 -16.950 1.00 0.00 H new ATOM 1604 N GLY A 101 11.685 0.960 -15.667 1.00 0.00 N ATOM 1605 CA GLY A 101 12.325 0.747 -14.371 1.00 0.00 C ATOM 1606 C GLY A 101 11.719 -0.352 -13.501 1.00 0.00 C ATOM 1607 O GLY A 101 12.426 -0.950 -12.700 1.00 0.00 O ATOM 0 H GLY A 101 11.853 0.227 -16.357 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.376 0.512 -14.541 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.294 1.683 -13.814 1.00 0.00 H new ATOM 1611 N LEU A 102 10.402 -0.606 -13.682 1.00 0.00 N ATOM 1612 CA LEU A 102 9.797 -1.643 -12.840 1.00 0.00 C ATOM 1613 C LEU A 102 10.109 -3.070 -13.328 1.00 0.00 C ATOM 1614 O LEU A 102 9.977 -4.031 -12.582 1.00 0.00 O ATOM 1615 CB LEU A 102 8.270 -1.528 -12.755 1.00 0.00 C ATOM 1616 CG LEU A 102 7.738 -0.147 -12.366 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.250 -0.238 -12.060 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.465 0.480 -11.169 1.00 0.00 C ATOM 0 H LEU A 102 9.785 -0.144 -14.350 1.00 0.00 H new ATOM 0 HA LEU A 102 10.243 -1.474 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.847 -1.803 -13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.907 -2.256 -12.030 1.00 0.00 H new ATOM 0 HG LEU A 102 7.922 0.504 -13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.875 0.747 -11.783 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.718 -0.594 -12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.090 -0.932 -11.235 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.033 1.457 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.356 -0.166 -10.298 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.523 0.595 -11.405 1.00 0.00 H new ATOM 1630 N CYS A 103 10.483 -3.140 -14.626 1.00 0.00 N ATOM 1631 CA CYS A 103 10.794 -4.400 -15.311 1.00 0.00 C ATOM 1632 C CYS A 103 9.512 -5.183 -15.685 1.00 0.00 C ATOM 1633 O CYS A 103 9.568 -6.206 -16.354 1.00 0.00 O ATOM 1634 CB CYS A 103 11.809 -5.279 -14.549 1.00 0.00 C ATOM 1635 SG CYS A 103 11.120 -6.446 -13.341 1.00 0.00 S ATOM 0 H CYS A 103 10.576 -2.318 -15.223 1.00 0.00 H new ATOM 0 HA CYS A 103 11.289 -4.120 -16.241 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.387 -5.845 -15.280 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.507 -4.623 -14.030 1.00 0.00 H new ATOM 0 HG CYS A 103 10.582 -5.786 -12.359 1.00 0.00 H new ATOM 1641 N GLN A 104 8.370 -4.633 -15.211 1.00 0.00 N ATOM 1642 CA GLN A 104 7.041 -5.172 -15.422 1.00 0.00 C ATOM 1643 C GLN A 104 6.105 -3.965 -15.352 1.00 0.00 C ATOM 1644 O GLN A 104 5.843 -3.384 -14.305 1.00 0.00 O ATOM 1645 CB GLN A 104 6.638 -6.193 -14.331 1.00 0.00 C ATOM 1646 CG GLN A 104 7.511 -7.456 -14.220 1.00 0.00 C ATOM 1647 CD GLN A 104 7.437 -8.374 -15.446 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.839 -8.058 -16.466 1.00 0.00 O ATOM 1649 NE2 GLN A 104 8.082 -9.538 -15.260 1.00 0.00 N ATOM 0 H GLN A 104 8.367 -3.777 -14.657 1.00 0.00 H new ATOM 0 HA GLN A 104 6.994 -5.704 -16.372 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.648 -5.685 -13.367 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.610 -6.504 -14.517 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.548 -7.156 -14.065 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.207 -8.019 -13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.557 -9.722 -14.376 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.097 -10.237 -16.003 1.00 0.00 H new ATOM 1658 N LYS A 105 5.653 -3.634 -16.569 1.00 0.00 N ATOM 1659 CA LYS A 105 4.740 -2.540 -16.839 1.00 0.00 C ATOM 1660 C LYS A 105 3.350 -2.932 -16.350 1.00 0.00 C ATOM 1661 O LYS A 105 3.178 -3.994 -15.773 1.00 0.00 O ATOM 1662 CB LYS A 105 4.787 -2.333 -18.358 1.00 0.00 C ATOM 1663 CG LYS A 105 3.845 -3.230 -19.184 1.00 0.00 C ATOM 1664 CD LYS A 105 4.467 -3.641 -20.514 1.00 0.00 C ATOM 1665 CE LYS A 105 4.426 -2.444 -21.432 1.00 0.00 C ATOM 1666 NZ LYS A 105 4.909 -2.716 -22.781 1.00 0.00 N ATOM 0 H LYS A 105 5.927 -4.141 -17.410 1.00 0.00 H new ATOM 0 HA LYS A 105 5.006 -1.614 -16.328 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.547 -1.291 -18.572 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.809 -2.501 -18.698 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.597 -4.122 -18.609 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.910 -2.700 -19.369 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.494 -3.976 -20.368 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.919 -4.476 -20.950 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.401 -2.079 -21.491 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.025 -1.644 -20.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.963 -1.826 -23.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.854 -3.148 -22.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.255 -3.369 -23.259 1.00 0.00 H new ATOM 1680 N LEU A 106 2.382 -2.038 -16.633 1.00 0.00 N ATOM 1681 CA LEU A 106 1.001 -2.303 -16.222 1.00 0.00 C ATOM 1682 C LEU A 106 0.215 -2.884 -17.390 1.00 0.00 C ATOM 1683 O LEU A 106 0.591 -2.749 -18.548 1.00 0.00 O ATOM 1684 CB LEU A 106 0.199 -1.069 -15.757 1.00 0.00 C ATOM 1685 CG LEU A 106 0.927 -0.006 -14.928 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.032 0.724 -13.980 1.00 0.00 C ATOM 1687 CD2 LEU A 106 2.008 -0.598 -14.060 1.00 0.00 C ATOM 0 H LEU A 106 2.528 -1.158 -17.127 1.00 0.00 H new ATOM 0 HA LEU A 106 1.107 -2.982 -15.376 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.206 -0.581 -16.644 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.650 -1.424 -15.173 1.00 0.00 H new ATOM 0 HG LEU A 106 1.357 0.678 -15.660 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.520 1.470 -13.408 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.813 1.215 -14.560 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.485 0.006 -13.297 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.494 0.195 -13.492 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.568 -1.319 -13.371 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.745 -1.099 -14.688 1.00 0.00 H new ATOM 1699 N THR A 107 -0.899 -3.522 -17.003 1.00 0.00 N ATOM 1700 CA THR A 107 -1.782 -4.102 -18.002 1.00 0.00 C ATOM 1701 C THR A 107 -3.214 -3.818 -17.612 1.00 0.00 C ATOM 1702 O THR A 107 -3.879 -2.977 -18.201 1.00 0.00 O ATOM 1703 CB THR A 107 -1.504 -5.612 -18.238 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.915 -6.648 -17.271 1.00 0.00 O ATOM 1705 CG2 THR A 107 -0.003 -5.758 -18.606 1.00 0.00 C ATOM 0 H THR A 107 -1.196 -3.643 -16.035 1.00 0.00 H new ATOM 0 HA THR A 107 -1.586 -3.634 -18.966 1.00 0.00 H new ATOM 0 HB THR A 107 -2.212 -5.856 -19.030 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.650 -7.531 -17.605 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.229 -6.809 -18.779 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.207 -5.186 -19.510 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.611 -5.381 -17.788 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.627 -4.563 -16.569 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.993 -4.394 -16.093 1.00 0.00 C ATOM 1715 C LEU A 108 -4.989 -4.629 -14.585 1.00 0.00 C ATOM 1716 O LEU A 108 -4.574 -5.696 -14.169 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.910 -5.459 -16.716 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.815 -5.616 -18.240 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -6.300 -6.996 -18.676 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.574 -4.496 -18.955 1.00 0.00 C ATOM 0 H LEU A 108 -3.062 -5.250 -16.069 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.349 -3.398 -16.358 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.683 -6.421 -16.256 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.941 -5.218 -16.458 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.767 -5.532 -18.527 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.223 -7.083 -19.760 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.685 -7.763 -18.206 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.339 -7.129 -18.374 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.491 -4.631 -20.033 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.624 -4.526 -18.666 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.148 -3.532 -18.676 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.458 -3.650 -13.768 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.491 -3.810 -12.316 1.00 0.00 C ATOM 1734 C PRO A 109 -6.366 -5.011 -11.907 1.00 0.00 C ATOM 1735 O PRO A 109 -7.328 -5.362 -12.580 1.00 0.00 O ATOM 1736 CB PRO A 109 -6.005 -2.476 -11.761 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.492 -1.659 -12.962 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.028 -2.392 -14.228 1.00 0.00 C ATOM 0 HA PRO A 109 -4.506 -4.034 -11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.815 -2.639 -11.050 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -5.214 -1.948 -11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.578 -1.565 -12.948 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.084 -0.649 -12.931 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.862 -2.565 -14.908 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.290 -1.804 -14.773 1.00 0.00 H new ATOM 1746 N CYS A 110 -5.928 -5.637 -10.793 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.604 -6.813 -10.233 1.00 0.00 C ATOM 1748 C CYS A 110 -8.136 -6.621 -10.170 1.00 0.00 C ATOM 1749 O CYS A 110 -8.616 -5.617 -9.664 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.027 -7.100 -8.845 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.315 -5.797 -7.623 1.00 0.00 S ATOM 0 H CYS A 110 -5.106 -5.341 -10.267 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.426 -7.666 -10.888 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.457 -8.030 -8.473 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -4.953 -7.260 -8.939 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.998 -6.279 -6.627 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.870 -7.608 -10.727 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.327 -7.485 -10.750 1.00 0.00 C ATOM 1759 C VAL A 111 -10.902 -7.701 -9.340 1.00 0.00 C ATOM 1760 O VAL A 111 -10.331 -8.359 -8.478 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.971 -8.403 -11.809 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.551 -7.993 -13.226 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -10.661 -9.886 -11.581 1.00 0.00 C ATOM 0 H VAL A 111 -8.492 -8.458 -11.146 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.581 -6.470 -11.055 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.048 -8.276 -11.702 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.020 -8.658 -13.951 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.867 -6.967 -13.417 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.467 -8.062 -13.319 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.141 -10.482 -12.357 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.583 -10.042 -11.618 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.038 -10.191 -10.605 1.00 0.00 H new ATOM 1773 N ASN A 112 -12.085 -7.071 -9.187 1.00 0.00 N ATOM 1774 CA ASN A 112 -12.825 -7.113 -7.935 1.00 0.00 C ATOM 1775 C ASN A 112 -13.460 -8.492 -7.699 1.00 0.00 C ATOM 1776 O ASN A 112 -14.282 -8.978 -8.466 1.00 0.00 O ATOM 1777 CB ASN A 112 -13.888 -5.998 -7.946 1.00 0.00 C ATOM 1778 CG ASN A 112 -14.511 -5.821 -6.556 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -13.819 -5.698 -5.552 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -15.850 -5.835 -6.562 1.00 0.00 N ATOM 0 H ASN A 112 -12.538 -6.530 -9.923 1.00 0.00 H new ATOM 0 HA ASN A 112 -12.136 -6.945 -7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.434 -5.061 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -14.667 -6.240 -8.670 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -16.365 -5.739 -5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.355 -5.942 -7.442 1.00 0.00 H new ATOM 1787 N LEU A 113 -13.005 -9.056 -6.562 1.00 0.00 N ATOM 1788 CA LEU A 113 -13.455 -10.357 -6.087 1.00 0.00 C ATOM 1789 C LEU A 113 -13.162 -10.454 -4.576 1.00 0.00 C ATOM 1790 O LEU A 113 -12.513 -11.374 -4.094 1.00 0.00 O ATOM 1791 CB LEU A 113 -12.767 -11.473 -6.901 1.00 0.00 C ATOM 1792 CG LEU A 113 -13.599 -12.761 -7.049 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -12.917 -13.729 -8.024 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -13.854 -13.464 -5.707 1.00 0.00 C ATOM 0 H LEU A 113 -12.315 -8.613 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.529 -10.479 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.534 -11.090 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -11.819 -11.721 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.569 -12.462 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.517 -14.634 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -12.821 -13.254 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -11.927 -13.987 -7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.445 -14.365 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -12.902 -13.734 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.397 -12.792 -5.042 1.00 0.00 H new ATOM 1806 N ALA A 114 -13.679 -9.407 -3.890 1.00 0.00 N ATOM 1807 CA ALA A 114 -13.551 -9.233 -2.441 1.00 0.00 C ATOM 1808 C ALA A 114 -12.105 -8.849 -2.039 1.00 0.00 C ATOM 1809 O ALA A 114 -11.203 -9.674 -2.183 1.00 0.00 O ATOM 1810 CB ALA A 114 -14.068 -10.465 -1.679 1.00 0.00 C ATOM 1811 OXT ALA A 114 -11.893 -7.729 -1.572 1.00 0.00 O ATOM 0 H ALA A 114 -14.201 -8.656 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.186 -8.396 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.958 -10.302 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.120 -10.624 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.493 -11.343 -1.973 1.00 0.00 H new TER 1817 ALA A 114