USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 932 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 109 THR OG1 : rot 180:sc= -0.0301 USER MOD Set 1.2: A 114 HIS :FLIP no HE2:sc= -9.47! C(o=-11!,f=-9.5!) USER MOD Set 2.1: A 86 GLN : amide:sc= -0.729 X(o=-6.7,f=-6.8) USER MOD Set 2.2: A 87 MET CE :methyl -137:sc= -5.99! (180deg=-6.94!) USER MOD Set 3.1: A 7 GLN : amide:sc= 0.595 K(o=1.5,f=-3.8!) USER MOD Set 3.2: A 81 SER OG : rot 122:sc= 0.942 USER MOD Set 4.1: A 12 HIS : no HE2:sc= -2.13! C(o=-0.97!,f=-8.5!) USER MOD Set 4.2: A 72 SER OG : rot -146:sc= 1.16 USER MOD Set 5.1: A 37 THR OG1 : rot 150:sc= 0.00626 USER MOD Set 5.2: A 45 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.5!) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 1 HIS N :NH3+ 130:sc= 0.0779 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -127:sc= -0.892 (180deg=-3.31!) USER MOD Single : A 11 SER OG : rot -95:sc= -1.09! USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.0562) USER MOD Single : A 17 HIS : no HD1:sc= -10! C(o=-10!,f=-15!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 20 SER OG : rot 15:sc= 0.852 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 40:sc= 0.0121 USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.246 (180deg=-1.57!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 63:sc= 0.088 USER MOD Single : A 38 THR OG1 : rot -170:sc= -5.13! USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= -0.0385 (180deg=-0.582) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 145:sc= -2.98! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.288 K(o=-0.29,f=-3.6!) USER MOD Single : A 65 THR OG1 : rot -139:sc= -2.09! USER MOD Single : A 68 SER OG : rot -76:sc= -3.11! USER MOD Single : A 70 CYS SG : rot -90:sc= -0.594 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 101:sc= 0.0858! USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 148:sc= -3.47! USER MOD Single : A 111 SER OG : rot 180:sc= -0.232 USER MOD Single : A 117 LYS NZ :NH3+ 142:sc= -0.242 (180deg=-0.739) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 29.138 15.859 7.531 1.00 0.00 N ATOM 2 CA HIS A 1 28.414 14.651 8.023 1.00 0.00 C ATOM 3 C HIS A 1 26.940 14.982 8.272 1.00 0.00 C ATOM 4 O HIS A 1 26.537 16.128 8.250 1.00 0.00 O ATOM 5 CB HIS A 1 29.108 14.276 9.334 1.00 0.00 C ATOM 6 CG HIS A 1 30.253 13.344 9.048 1.00 0.00 C ATOM 7 ND1 HIS A 1 31.576 13.730 9.198 1.00 0.00 N ATOM 8 CD2 HIS A 1 30.291 12.037 8.626 1.00 0.00 C ATOM 9 CE1 HIS A 1 32.346 12.676 8.872 1.00 0.00 C ATOM 10 NE2 HIS A 1 31.613 11.618 8.516 1.00 0.00 N ATOM 0 H1 HIS A 1 30.003 15.998 8.092 1.00 0.00 H new ATOM 0 H2 HIS A 1 29.391 15.729 6.531 1.00 0.00 H new ATOM 0 H3 HIS A 1 28.525 16.694 7.627 1.00 0.00 H new ATOM 0 HA HIS A 1 28.439 13.834 7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 1 29.472 15.173 9.834 1.00 0.00 H new ATOM 0 HB3 HIS A 1 28.398 13.800 10.010 1.00 0.00 H new ATOM 0 HD2 HIS A 1 29.426 11.427 8.412 1.00 0.00 H new ATOM 0 HE1 HIS A 1 33.426 12.685 8.895 1.00 0.00 H new ATOM 0 HE2 HIS A 1 31.950 10.700 8.226 1.00 0.00 H new ATOM 18 N MET A 2 26.132 13.985 8.510 1.00 0.00 N ATOM 19 CA MET A 2 24.685 14.239 8.762 1.00 0.00 C ATOM 20 C MET A 2 24.058 14.974 7.574 1.00 0.00 C ATOM 21 O MET A 2 23.487 16.036 7.722 1.00 0.00 O ATOM 22 CB MET A 2 24.649 15.117 10.012 1.00 0.00 C ATOM 23 CG MET A 2 23.198 15.307 10.460 1.00 0.00 C ATOM 24 SD MET A 2 22.734 17.047 10.283 1.00 0.00 S ATOM 25 CE MET A 2 20.983 16.780 9.906 1.00 0.00 C ATOM 0 H MET A 2 26.412 13.005 8.541 1.00 0.00 H new ATOM 0 HA MET A 2 24.123 13.315 8.895 1.00 0.00 H new ATOM 0 HB2 MET A 2 25.230 14.655 10.810 1.00 0.00 H new ATOM 0 HB3 MET A 2 25.106 16.084 9.803 1.00 0.00 H new ATOM 0 HG2 MET A 2 22.537 14.681 9.861 1.00 0.00 H new ATOM 0 HG3 MET A 2 23.082 14.993 11.497 1.00 0.00 H new ATOM 0 HE1 MET A 2 20.492 17.742 9.756 1.00 0.00 H new ATOM 0 HE2 MET A 2 20.893 16.182 8.999 1.00 0.00 H new ATOM 0 HE3 MET A 2 20.508 16.256 10.735 1.00 0.00 H new ATOM 35 N ALA A 3 24.157 14.420 6.396 1.00 0.00 N ATOM 36 CA ALA A 3 23.563 15.093 5.205 1.00 0.00 C ATOM 37 C ALA A 3 22.405 14.261 4.648 1.00 0.00 C ATOM 38 O ALA A 3 21.252 14.628 4.761 1.00 0.00 O ATOM 39 CB ALA A 3 24.701 15.173 4.187 1.00 0.00 C ATOM 0 H ALA A 3 24.622 13.532 6.207 1.00 0.00 H new ATOM 0 HA ALA A 3 23.160 16.077 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 3 24.343 15.658 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 3 25.524 15.751 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 3 25.048 14.167 3.949 1.00 0.00 H new ATOM 45 N SER A 4 22.703 13.142 4.047 1.00 0.00 N ATOM 46 CA SER A 4 21.621 12.285 3.482 1.00 0.00 C ATOM 47 C SER A 4 21.833 10.826 3.894 1.00 0.00 C ATOM 48 O SER A 4 22.709 10.514 4.676 1.00 0.00 O ATOM 49 CB SER A 4 21.748 12.436 1.967 1.00 0.00 C ATOM 50 OG SER A 4 21.456 13.778 1.602 1.00 0.00 O ATOM 0 H SER A 4 23.650 12.783 3.922 1.00 0.00 H new ATOM 0 HA SER A 4 20.634 12.577 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.756 12.171 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.064 11.753 1.463 1.00 0.00 H new ATOM 0 HG SER A 4 21.538 13.878 0.631 1.00 0.00 H new ATOM 56 N ARG A 5 21.041 9.930 3.371 1.00 0.00 N ATOM 57 CA ARG A 5 21.202 8.492 3.731 1.00 0.00 C ATOM 58 C ARG A 5 20.889 7.607 2.525 1.00 0.00 C ATOM 59 O ARG A 5 20.630 8.087 1.439 1.00 0.00 O ATOM 60 CB ARG A 5 20.188 8.243 4.848 1.00 0.00 C ATOM 61 CG ARG A 5 18.844 8.866 4.469 1.00 0.00 C ATOM 62 CD ARG A 5 17.859 8.699 5.629 1.00 0.00 C ATOM 63 NE ARG A 5 16.796 9.711 5.378 1.00 0.00 N ATOM 64 CZ ARG A 5 17.036 10.975 5.595 1.00 0.00 C ATOM 65 NH1 ARG A 5 16.824 11.486 6.776 1.00 0.00 N ATOM 66 NH2 ARG A 5 17.491 11.728 4.631 1.00 0.00 N ATOM 0 H ARG A 5 20.290 10.131 2.711 1.00 0.00 H new ATOM 0 HA ARG A 5 22.220 8.260 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 5 20.070 7.172 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 5 20.549 8.672 5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 5 18.974 9.923 4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 5 18.450 8.389 3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.446 7.691 5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.347 8.868 6.589 1.00 0.00 H new ATOM 0 HE ARG A 5 15.881 9.416 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.470 10.897 7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.012 12.474 6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.659 11.328 3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.679 12.716 4.801 1.00 0.00 H new ATOM 80 N ASP A 6 20.903 6.317 2.710 1.00 0.00 N ATOM 81 CA ASP A 6 20.598 5.398 1.577 1.00 0.00 C ATOM 82 C ASP A 6 19.154 5.605 1.118 1.00 0.00 C ATOM 83 O ASP A 6 18.771 5.213 0.033 1.00 0.00 O ATOM 84 CB ASP A 6 20.785 3.992 2.147 1.00 0.00 C ATOM 85 CG ASP A 6 22.064 3.375 1.578 1.00 0.00 C ATOM 86 OD1 ASP A 6 22.081 3.081 0.394 1.00 0.00 O ATOM 87 OD2 ASP A 6 23.006 3.209 2.336 1.00 0.00 O ATOM 0 H ASP A 6 21.112 5.858 3.597 1.00 0.00 H new ATOM 0 HA ASP A 6 21.239 5.572 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.842 4.034 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.926 3.370 1.896 1.00 0.00 H new ATOM 92 N GLN A 7 18.353 6.222 1.942 1.00 0.00 N ATOM 93 CA GLN A 7 16.931 6.465 1.570 1.00 0.00 C ATOM 94 C GLN A 7 16.245 5.152 1.193 1.00 0.00 C ATOM 95 O GLN A 7 16.856 4.101 1.172 1.00 0.00 O ATOM 96 CB GLN A 7 16.981 7.406 0.369 1.00 0.00 C ATOM 97 CG GLN A 7 15.681 8.210 0.302 1.00 0.00 C ATOM 98 CD GLN A 7 15.913 9.489 -0.504 1.00 0.00 C ATOM 99 OE1 GLN A 7 15.218 9.750 -1.466 1.00 0.00 O ATOM 100 NE2 GLN A 7 16.867 10.305 -0.148 1.00 0.00 N ATOM 0 H GLN A 7 18.624 6.570 2.862 1.00 0.00 H new ATOM 0 HA GLN A 7 16.363 6.893 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.834 8.079 0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 7 17.117 6.835 -0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.895 7.613 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.342 8.458 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.450 10.086 0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.029 11.162 -0.677 1.00 0.00 H new ATOM 109 N VAL A 8 14.975 5.206 0.906 1.00 0.00 N ATOM 110 CA VAL A 8 14.237 3.963 0.541 1.00 0.00 C ATOM 111 C VAL A 8 13.091 4.289 -0.424 1.00 0.00 C ATOM 112 O VAL A 8 12.136 4.941 -0.060 1.00 0.00 O ATOM 113 CB VAL A 8 13.695 3.438 1.879 1.00 0.00 C ATOM 114 CG1 VAL A 8 13.127 4.601 2.694 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.586 2.405 1.642 1.00 0.00 C ATOM 0 H VAL A 8 14.414 6.058 0.908 1.00 0.00 H new ATOM 0 HA VAL A 8 14.866 3.231 0.035 1.00 0.00 H new ATOM 0 HB VAL A 8 14.513 2.965 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.743 4.227 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.914 5.331 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.319 5.075 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.214 2.044 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.770 2.868 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.985 1.568 1.069 1.00 0.00 H new ATOM 125 N LYS A 9 13.169 3.831 -1.649 1.00 0.00 N ATOM 126 CA LYS A 9 12.063 4.110 -2.614 1.00 0.00 C ATOM 127 C LYS A 9 11.052 2.968 -2.567 1.00 0.00 C ATOM 128 O LYS A 9 11.309 1.934 -1.982 1.00 0.00 O ATOM 129 CB LYS A 9 12.714 4.195 -3.994 1.00 0.00 C ATOM 130 CG LYS A 9 13.529 5.490 -4.093 1.00 0.00 C ATOM 131 CD LYS A 9 13.445 6.114 -5.503 1.00 0.00 C ATOM 132 CE LYS A 9 13.115 5.066 -6.580 1.00 0.00 C ATOM 133 NZ LYS A 9 14.178 4.024 -6.476 1.00 0.00 N ATOM 0 H LYS A 9 13.944 3.281 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 9 11.534 5.033 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.360 3.332 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.950 4.173 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.165 6.206 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.571 5.283 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.682 6.893 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.393 6.594 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.128 4.634 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.105 5.516 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.611 3.875 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.906 4.337 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.759 3.133 -6.142 1.00 0.00 H new ATOM 147 N ALA A 10 9.901 3.128 -3.165 1.00 0.00 N ATOM 148 CA ALA A 10 8.910 2.008 -3.112 1.00 0.00 C ATOM 149 C ALA A 10 7.549 2.392 -3.693 1.00 0.00 C ATOM 150 O ALA A 10 7.122 3.530 -3.640 1.00 0.00 O ATOM 151 CB ALA A 10 8.746 1.700 -1.621 1.00 0.00 C ATOM 0 H ALA A 10 9.607 3.961 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 10 9.264 1.163 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.032 0.886 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.709 1.407 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.380 2.587 -1.104 1.00 0.00 H new ATOM 157 N SER A 11 6.844 1.420 -4.204 1.00 0.00 N ATOM 158 CA SER A 11 5.484 1.682 -4.741 1.00 0.00 C ATOM 159 C SER A 11 4.484 0.985 -3.820 1.00 0.00 C ATOM 160 O SER A 11 4.877 0.231 -2.953 1.00 0.00 O ATOM 161 CB SER A 11 5.470 1.074 -6.143 1.00 0.00 C ATOM 162 OG SER A 11 5.465 -0.342 -6.040 1.00 0.00 O ATOM 0 H SER A 11 7.156 0.451 -4.272 1.00 0.00 H new ATOM 0 HA SER A 11 5.225 2.740 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.591 1.413 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.343 1.406 -6.705 1.00 0.00 H new ATOM 0 HG SER A 11 6.383 -0.678 -6.108 1.00 0.00 H new ATOM 168 N HIS A 12 3.208 1.217 -3.961 1.00 0.00 N ATOM 169 CA HIS A 12 2.272 0.522 -3.019 1.00 0.00 C ATOM 170 C HIS A 12 0.794 0.768 -3.353 1.00 0.00 C ATOM 171 O HIS A 12 0.441 1.664 -4.095 1.00 0.00 O ATOM 172 CB HIS A 12 2.601 1.117 -1.646 1.00 0.00 C ATOM 173 CG HIS A 12 2.002 2.493 -1.526 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.723 3.073 -0.298 1.00 0.00 N ATOM 175 CD2 HIS A 12 1.622 3.414 -2.470 1.00 0.00 C ATOM 176 CE1 HIS A 12 1.198 4.290 -0.534 1.00 0.00 C ATOM 177 NE2 HIS A 12 1.115 4.548 -1.842 1.00 0.00 N ATOM 0 H HIS A 12 2.781 1.830 -4.655 1.00 0.00 H new ATOM 0 HA HIS A 12 2.404 -0.559 -3.072 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.212 0.472 -0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.681 1.168 -1.512 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.886 2.654 0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.704 3.279 -3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.882 4.974 0.240 1.00 0.00 H new ATOM 185 N ILE A 13 -0.065 -0.025 -2.765 1.00 0.00 N ATOM 186 CA ILE A 13 -1.537 0.125 -2.974 1.00 0.00 C ATOM 187 C ILE A 13 -2.229 0.024 -1.610 1.00 0.00 C ATOM 188 O ILE A 13 -1.734 -0.622 -0.710 1.00 0.00 O ATOM 189 CB ILE A 13 -1.943 -1.046 -3.875 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.480 -0.769 -5.310 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.467 -1.220 -3.858 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.190 -1.727 -6.273 1.00 0.00 C ATOM 0 H ILE A 13 0.197 -0.785 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.812 1.078 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.475 -1.958 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.699 0.264 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.400 -0.896 -5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.745 -2.055 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.799 -1.421 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.941 -0.308 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.860 -1.529 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.948 -2.756 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.268 -1.578 -6.205 1.00 0.00 H new ATOM 204 N LEU A 14 -3.359 0.654 -1.438 1.00 0.00 N ATOM 205 CA LEU A 14 -4.049 0.579 -0.116 1.00 0.00 C ATOM 206 C LEU A 14 -5.347 -0.226 -0.216 1.00 0.00 C ATOM 207 O LEU A 14 -6.136 -0.045 -1.121 1.00 0.00 O ATOM 208 CB LEU A 14 -4.359 2.030 0.254 1.00 0.00 C ATOM 209 CG LEU A 14 -5.245 2.059 1.502 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.372 1.885 2.746 1.00 0.00 C ATOM 211 CD2 LEU A 14 -5.987 3.399 1.572 1.00 0.00 C ATOM 0 H LEU A 14 -3.832 1.213 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.430 0.081 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.433 2.575 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.862 2.528 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.973 1.249 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.000 1.905 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.849 0.930 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.645 2.695 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.618 3.420 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.264 4.213 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.607 3.518 0.684 1.00 0.00 H new ATOM 223 N ILE A 15 -5.580 -1.099 0.727 1.00 0.00 N ATOM 224 CA ILE A 15 -6.834 -1.906 0.715 1.00 0.00 C ATOM 225 C ILE A 15 -7.667 -1.553 1.957 1.00 0.00 C ATOM 226 O ILE A 15 -7.422 -2.050 3.038 1.00 0.00 O ATOM 227 CB ILE A 15 -6.369 -3.367 0.757 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.040 -3.831 -0.666 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.478 -4.252 1.338 1.00 0.00 C ATOM 230 CD1 ILE A 15 -5.830 -5.346 -0.681 1.00 0.00 C ATOM 0 H ILE A 15 -4.953 -1.289 1.509 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.458 -1.718 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.483 -3.446 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.850 -3.560 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.143 -3.327 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.140 -5.288 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.715 -3.921 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.368 -4.177 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.596 -5.671 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.005 -5.606 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.739 -5.843 -0.341 1.00 0.00 H new ATOM 242 N LYS A 16 -8.634 -0.688 1.813 1.00 0.00 N ATOM 243 CA LYS A 16 -9.467 -0.289 2.990 1.00 0.00 C ATOM 244 C LYS A 16 -10.011 -1.520 3.724 1.00 0.00 C ATOM 245 O LYS A 16 -9.836 -2.642 3.291 1.00 0.00 O ATOM 246 CB LYS A 16 -10.611 0.534 2.399 1.00 0.00 C ATOM 247 CG LYS A 16 -10.257 2.021 2.472 1.00 0.00 C ATOM 248 CD LYS A 16 -11.270 2.827 1.658 1.00 0.00 C ATOM 249 CE LYS A 16 -10.683 3.137 0.279 1.00 0.00 C ATOM 250 NZ LYS A 16 -9.773 4.301 0.489 1.00 0.00 N ATOM 0 H LYS A 16 -8.885 -0.239 0.932 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.889 0.272 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.788 0.241 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.533 0.341 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.259 2.356 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.251 2.186 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.198 2.265 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.516 3.753 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.139 2.280 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.469 3.377 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.191 5.150 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.641 4.459 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.852 4.106 0.047 1.00 0.00 H new ATOM 264 N HIS A 17 -10.673 -1.314 4.836 1.00 0.00 N ATOM 265 CA HIS A 17 -11.232 -2.470 5.602 1.00 0.00 C ATOM 266 C HIS A 17 -11.937 -1.993 6.878 1.00 0.00 C ATOM 267 O HIS A 17 -12.314 -0.845 7.003 1.00 0.00 O ATOM 268 CB HIS A 17 -10.027 -3.339 5.963 1.00 0.00 C ATOM 269 CG HIS A 17 -8.981 -2.509 6.658 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.176 -1.172 6.973 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.721 -2.818 7.107 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.059 -0.733 7.580 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.141 -1.696 7.688 1.00 0.00 N ATOM 0 H HIS A 17 -10.850 -0.397 5.246 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.973 -3.014 5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.341 -4.159 6.609 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.608 -3.786 5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.251 -3.787 7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.921 0.277 7.937 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.214 -1.624 8.107 1.00 0.00 H new ATOM 281 N GLN A 18 -12.118 -2.877 7.826 1.00 0.00 N ATOM 282 CA GLN A 18 -12.800 -2.499 9.099 1.00 0.00 C ATOM 283 C GLN A 18 -11.941 -1.522 9.907 1.00 0.00 C ATOM 284 O GLN A 18 -12.373 -0.985 10.907 1.00 0.00 O ATOM 285 CB GLN A 18 -12.963 -3.815 9.859 1.00 0.00 C ATOM 286 CG GLN A 18 -14.415 -4.279 9.772 1.00 0.00 C ATOM 287 CD GLN A 18 -15.162 -3.853 11.037 1.00 0.00 C ATOM 288 OE1 GLN A 18 -15.291 -2.676 11.313 1.00 0.00 O ATOM 289 NE2 GLN A 18 -15.662 -4.765 11.825 1.00 0.00 N ATOM 0 H GLN A 18 -11.820 -3.851 7.771 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.753 -2.001 8.919 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.302 -4.574 9.439 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.675 -3.683 10.902 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.893 -3.849 8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.456 -5.362 9.660 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.554 -5.753 11.595 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.160 -4.490 12.671 1.00 0.00 H new ATOM 298 N GLY A 19 -10.729 -1.292 9.486 1.00 0.00 N ATOM 299 CA GLY A 19 -9.847 -0.351 10.233 1.00 0.00 C ATOM 300 C GLY A 19 -10.646 0.893 10.625 1.00 0.00 C ATOM 301 O GLY A 19 -11.209 0.970 11.699 1.00 0.00 O ATOM 0 H GLY A 19 -10.310 -1.714 8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.450 -0.837 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.993 -0.069 9.617 1.00 0.00 H new ATOM 305 N SER A 20 -10.702 1.866 9.758 1.00 0.00 N ATOM 306 CA SER A 20 -11.466 3.106 10.072 1.00 0.00 C ATOM 307 C SER A 20 -11.556 3.991 8.827 1.00 0.00 C ATOM 308 O SER A 20 -11.056 5.098 8.803 1.00 0.00 O ATOM 309 CB SER A 20 -10.664 3.802 11.171 1.00 0.00 C ATOM 310 OG SER A 20 -10.987 3.223 12.428 1.00 0.00 O ATOM 0 H SER A 20 -10.250 1.856 8.843 1.00 0.00 H new ATOM 0 HA SER A 20 -12.487 2.896 10.390 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.596 3.703 10.976 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.889 4.869 11.181 1.00 0.00 H new ATOM 0 HG SER A 20 -11.453 2.373 12.286 1.00 0.00 H new ATOM 316 N ARG A 21 -12.185 3.507 7.791 1.00 0.00 N ATOM 317 CA ARG A 21 -12.304 4.317 6.544 1.00 0.00 C ATOM 318 C ARG A 21 -13.502 3.841 5.718 1.00 0.00 C ATOM 319 O ARG A 21 -13.738 2.658 5.573 1.00 0.00 O ATOM 320 CB ARG A 21 -10.998 4.068 5.787 1.00 0.00 C ATOM 321 CG ARG A 21 -10.615 5.321 4.998 1.00 0.00 C ATOM 322 CD ARG A 21 -9.861 6.291 5.911 1.00 0.00 C ATOM 323 NE ARG A 21 -8.604 6.606 5.177 1.00 0.00 N ATOM 324 CZ ARG A 21 -7.717 7.402 5.711 1.00 0.00 C ATOM 325 NH1 ARG A 21 -7.454 7.323 6.986 1.00 0.00 N ATOM 326 NH2 ARG A 21 -7.093 8.275 4.969 1.00 0.00 N ATOM 0 H ARG A 21 -12.622 2.586 7.754 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.461 5.376 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.204 3.810 6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.114 3.221 5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.993 5.050 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.510 5.800 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.445 7.192 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.650 5.839 6.880 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.436 6.200 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.941 6.640 7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.761 7.945 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.298 8.336 3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.400 8.897 5.386 1.00 0.00 H new ATOM 340 N ARG A 22 -14.259 4.754 5.174 1.00 0.00 N ATOM 341 CA ARG A 22 -15.440 4.354 4.356 1.00 0.00 C ATOM 342 C ARG A 22 -15.009 4.079 2.913 1.00 0.00 C ATOM 343 O ARG A 22 -13.888 4.346 2.530 1.00 0.00 O ATOM 344 CB ARG A 22 -16.389 5.552 4.413 1.00 0.00 C ATOM 345 CG ARG A 22 -16.471 6.069 5.851 1.00 0.00 C ATOM 346 CD ARG A 22 -17.625 7.066 5.974 1.00 0.00 C ATOM 347 NE ARG A 22 -16.974 8.406 5.957 1.00 0.00 N ATOM 348 CZ ARG A 22 -16.668 8.997 7.080 1.00 0.00 C ATOM 349 NH1 ARG A 22 -17.479 8.922 8.100 1.00 0.00 N ATOM 350 NH2 ARG A 22 -15.549 9.661 7.182 1.00 0.00 N ATOM 0 H ARG A 22 -14.111 5.760 5.260 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.912 3.445 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.035 6.342 3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.379 5.262 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.621 5.237 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.532 6.548 6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.330 6.958 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.186 6.910 6.896 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.767 8.862 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.352 8.401 8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.239 9.384 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.915 9.718 6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.308 10.123 8.059 1.00 0.00 H new ATOM 364 N LYS A 23 -15.889 3.547 2.110 1.00 0.00 N ATOM 365 CA LYS A 23 -15.522 3.257 0.694 1.00 0.00 C ATOM 366 C LYS A 23 -16.107 4.324 -0.234 1.00 0.00 C ATOM 367 O LYS A 23 -17.154 4.882 0.027 1.00 0.00 O ATOM 368 CB LYS A 23 -16.138 1.890 0.397 1.00 0.00 C ATOM 369 CG LYS A 23 -15.108 1.012 -0.317 1.00 0.00 C ATOM 370 CD LYS A 23 -15.440 0.940 -1.809 1.00 0.00 C ATOM 371 CE LYS A 23 -14.770 -0.292 -2.422 1.00 0.00 C ATOM 372 NZ LYS A 23 -14.042 0.221 -3.616 1.00 0.00 N ATOM 0 H LYS A 23 -16.844 3.301 2.372 1.00 0.00 H new ATOM 0 HA LYS A 23 -14.443 3.260 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.458 1.414 1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.026 2.006 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.107 1.420 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.107 0.011 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.520 0.888 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.096 1.843 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.087 -0.763 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.507 -1.044 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.556 -0.566 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.719 0.658 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.342 0.930 -3.318 1.00 0.00 H new ATOM 386 N ALA A 24 -15.439 4.608 -1.319 1.00 0.00 N ATOM 387 CA ALA A 24 -15.955 5.638 -2.268 1.00 0.00 C ATOM 388 C ALA A 24 -15.894 7.027 -1.628 1.00 0.00 C ATOM 389 O ALA A 24 -16.521 7.285 -0.620 1.00 0.00 O ATOM 390 CB ALA A 24 -17.405 5.235 -2.541 1.00 0.00 C ATOM 0 H ALA A 24 -14.558 4.172 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.366 5.686 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.856 5.946 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.429 4.237 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.965 5.234 -1.606 1.00 0.00 H new ATOM 396 N SER A 25 -15.144 7.923 -2.209 1.00 0.00 N ATOM 397 CA SER A 25 -15.042 9.297 -1.637 1.00 0.00 C ATOM 398 C SER A 25 -14.415 10.249 -2.661 1.00 0.00 C ATOM 399 O SER A 25 -13.386 9.964 -3.241 1.00 0.00 O ATOM 400 CB SER A 25 -14.139 9.151 -0.413 1.00 0.00 C ATOM 401 OG SER A 25 -14.739 9.813 0.693 1.00 0.00 O ATOM 0 H SER A 25 -14.597 7.764 -3.055 1.00 0.00 H new ATOM 0 HA SER A 25 -16.016 9.710 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.987 8.097 -0.182 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.157 9.577 -0.618 1.00 0.00 H new ATOM 0 HG SER A 25 -15.705 9.651 0.686 1.00 0.00 H new ATOM 407 N TRP A 26 -15.028 11.379 -2.890 1.00 0.00 N ATOM 408 CA TRP A 26 -14.466 12.345 -3.878 1.00 0.00 C ATOM 409 C TRP A 26 -15.087 13.730 -3.679 1.00 0.00 C ATOM 410 O TRP A 26 -15.753 14.252 -4.551 1.00 0.00 O ATOM 411 CB TRP A 26 -14.848 11.778 -5.246 1.00 0.00 C ATOM 412 CG TRP A 26 -13.606 11.453 -6.014 1.00 0.00 C ATOM 413 CD1 TRP A 26 -12.946 10.274 -5.957 1.00 0.00 C ATOM 414 CD2 TRP A 26 -12.863 12.292 -6.947 1.00 0.00 C ATOM 415 NE1 TRP A 26 -11.848 10.334 -6.796 1.00 0.00 N ATOM 416 CE2 TRP A 26 -11.754 11.557 -7.428 1.00 0.00 C ATOM 417 CE3 TRP A 26 -13.043 13.605 -7.418 1.00 0.00 C ATOM 418 CZ2 TRP A 26 -10.854 12.105 -8.344 1.00 0.00 C ATOM 419 CZ3 TRP A 26 -12.139 14.160 -8.340 1.00 0.00 C ATOM 420 CH2 TRP A 26 -11.047 13.412 -8.801 1.00 0.00 C ATOM 0 H TRP A 26 -15.892 11.675 -2.436 1.00 0.00 H new ATOM 0 HA TRP A 26 -13.388 12.464 -3.771 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -15.458 10.883 -5.123 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -15.450 12.501 -5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -13.230 9.424 -5.354 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.188 9.568 -6.931 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -13.881 14.190 -7.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -10.015 11.524 -8.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.287 15.169 -8.695 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.355 13.845 -9.509 1.00 0.00 H new ATOM 431 N LYS A 27 -14.872 14.326 -2.537 1.00 0.00 N ATOM 432 CA LYS A 27 -15.446 15.679 -2.274 1.00 0.00 C ATOM 433 C LYS A 27 -16.974 15.642 -2.378 1.00 0.00 C ATOM 434 O LYS A 27 -17.671 15.655 -1.382 1.00 0.00 O ATOM 435 CB LYS A 27 -14.851 16.584 -3.355 1.00 0.00 C ATOM 436 CG LYS A 27 -13.324 16.513 -3.295 1.00 0.00 C ATOM 437 CD LYS A 27 -12.831 17.158 -1.997 1.00 0.00 C ATOM 438 CE LYS A 27 -11.329 16.914 -1.845 1.00 0.00 C ATOM 439 NZ LYS A 27 -10.750 17.251 -3.175 1.00 0.00 N ATOM 0 H LYS A 27 -14.322 13.934 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 27 -15.210 16.036 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -15.202 16.273 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.184 17.611 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.996 15.475 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.892 17.025 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.037 18.228 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.366 16.740 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.905 17.539 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.122 15.878 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.740 17.473 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.860 16.440 -3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.245 18.076 -3.570 1.00 0.00 H new ATOM 453 N ASP A 28 -17.504 15.599 -3.570 1.00 0.00 N ATOM 454 CA ASP A 28 -18.987 15.564 -3.718 1.00 0.00 C ATOM 455 C ASP A 28 -19.597 14.582 -2.708 1.00 0.00 C ATOM 456 O ASP A 28 -20.326 14.988 -1.825 1.00 0.00 O ATOM 457 CB ASP A 28 -19.237 15.106 -5.154 1.00 0.00 C ATOM 458 CG ASP A 28 -19.595 16.315 -6.021 1.00 0.00 C ATOM 459 OD1 ASP A 28 -20.468 17.067 -5.621 1.00 0.00 O ATOM 460 OD2 ASP A 28 -18.991 16.467 -7.069 1.00 0.00 O ATOM 0 H ASP A 28 -16.978 15.587 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 28 -19.446 16.533 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.349 14.612 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -20.046 14.376 -5.178 1.00 0.00 H new ATOM 465 N PRO A 29 -19.277 13.319 -2.859 1.00 0.00 N ATOM 466 CA PRO A 29 -19.807 12.295 -1.926 1.00 0.00 C ATOM 467 C PRO A 29 -19.037 12.338 -0.604 1.00 0.00 C ATOM 468 O PRO A 29 -17.855 12.616 -0.574 1.00 0.00 O ATOM 469 CB PRO A 29 -19.545 10.980 -2.648 1.00 0.00 C ATOM 470 CG PRO A 29 -18.391 11.256 -3.559 1.00 0.00 C ATOM 471 CD PRO A 29 -18.413 12.728 -3.891 1.00 0.00 C ATOM 0 HA PRO A 29 -20.859 12.443 -1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -19.308 10.184 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.422 10.658 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -17.451 10.986 -3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -18.468 10.658 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.411 13.157 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.809 12.905 -4.891 1.00 0.00 H new ATOM 479 N GLU A 30 -19.693 12.062 0.489 1.00 0.00 N ATOM 480 CA GLU A 30 -18.987 12.085 1.802 1.00 0.00 C ATOM 481 C GLU A 30 -18.618 10.662 2.226 1.00 0.00 C ATOM 482 O GLU A 30 -17.488 10.238 2.091 1.00 0.00 O ATOM 483 CB GLU A 30 -19.987 12.694 2.784 1.00 0.00 C ATOM 484 CG GLU A 30 -19.677 14.180 2.972 1.00 0.00 C ATOM 485 CD GLU A 30 -19.853 14.558 4.444 1.00 0.00 C ATOM 486 OE1 GLU A 30 -20.970 14.866 4.826 1.00 0.00 O ATOM 487 OE2 GLU A 30 -18.869 14.533 5.164 1.00 0.00 O ATOM 0 H GLU A 30 -20.684 11.822 0.531 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.060 12.657 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -21.003 12.568 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.934 12.176 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.657 14.393 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.339 14.782 2.350 1.00 0.00 H new ATOM 494 N GLY A 31 -19.563 9.922 2.735 1.00 0.00 N ATOM 495 CA GLY A 31 -19.265 8.527 3.165 1.00 0.00 C ATOM 496 C GLY A 31 -20.575 7.779 3.412 1.00 0.00 C ATOM 497 O GLY A 31 -21.643 8.359 3.410 1.00 0.00 O ATOM 0 H GLY A 31 -20.528 10.222 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -18.681 8.016 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -18.662 8.536 4.073 1.00 0.00 H new ATOM 501 N LYS A 32 -20.504 6.495 3.623 1.00 0.00 N ATOM 502 CA LYS A 32 -21.748 5.713 3.867 1.00 0.00 C ATOM 503 C LYS A 32 -21.408 4.336 4.440 1.00 0.00 C ATOM 504 O LYS A 32 -20.261 4.022 4.693 1.00 0.00 O ATOM 505 CB LYS A 32 -22.401 5.575 2.492 1.00 0.00 C ATOM 506 CG LYS A 32 -21.448 4.843 1.545 1.00 0.00 C ATOM 507 CD LYS A 32 -21.034 5.783 0.411 1.00 0.00 C ATOM 508 CE LYS A 32 -22.063 5.701 -0.719 1.00 0.00 C ATOM 509 NZ LYS A 32 -21.456 6.462 -1.847 1.00 0.00 N ATOM 0 H LYS A 32 -19.640 5.953 3.637 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.406 6.199 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -23.339 5.026 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.643 6.560 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.567 4.503 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.933 3.956 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.963 6.806 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -20.047 5.509 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -22.259 4.666 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.016 6.135 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.103 6.451 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.287 7.445 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.553 6.022 -2.117 1.00 0.00 H new ATOM 523 N ILE A 33 -22.398 3.511 4.644 1.00 0.00 N ATOM 524 CA ILE A 33 -22.138 2.153 5.199 1.00 0.00 C ATOM 525 C ILE A 33 -21.371 1.304 4.180 1.00 0.00 C ATOM 526 O ILE A 33 -20.159 1.226 4.213 1.00 0.00 O ATOM 527 CB ILE A 33 -23.525 1.566 5.461 1.00 0.00 C ATOM 528 CG1 ILE A 33 -24.247 2.419 6.508 1.00 0.00 C ATOM 529 CG2 ILE A 33 -23.389 0.132 5.976 1.00 0.00 C ATOM 530 CD1 ILE A 33 -23.383 2.529 7.766 1.00 0.00 C ATOM 0 H ILE A 33 -23.377 3.719 4.450 1.00 0.00 H new ATOM 0 HA ILE A 33 -21.531 2.181 6.104 1.00 0.00 H new ATOM 0 HB ILE A 33 -24.098 1.562 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -24.450 3.412 6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -25.210 1.972 6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -24.379 -0.283 6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -22.875 -0.475 5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -22.816 0.131 6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -23.899 3.136 8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -23.203 1.534 8.172 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -22.431 2.995 7.514 1.00 0.00 H new ATOM 542 N ILE A 34 -22.065 0.669 3.273 1.00 0.00 N ATOM 543 CA ILE A 34 -21.370 -0.169 2.253 1.00 0.00 C ATOM 544 C ILE A 34 -20.406 -1.147 2.935 1.00 0.00 C ATOM 545 O ILE A 34 -19.328 -0.778 3.358 1.00 0.00 O ATOM 546 CB ILE A 34 -20.605 0.831 1.382 1.00 0.00 C ATOM 547 CG1 ILE A 34 -21.563 1.463 0.370 1.00 0.00 C ATOM 548 CG2 ILE A 34 -19.480 0.113 0.631 1.00 0.00 C ATOM 549 CD1 ILE A 34 -20.771 2.328 -0.611 1.00 0.00 C ATOM 0 H ILE A 34 -23.082 0.694 3.195 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.063 -0.773 1.667 1.00 0.00 H new ATOM 0 HB ILE A 34 -20.178 1.606 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -22.104 0.685 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -22.307 2.069 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -18.940 0.830 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.794 -0.338 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.905 -0.665 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -21.453 2.778 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.250 3.114 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.044 1.709 -1.137 1.00 0.00 H new ATOM 561 N LEU A 35 -20.780 -2.394 3.036 1.00 0.00 N ATOM 562 CA LEU A 35 -19.879 -3.392 3.681 1.00 0.00 C ATOM 563 C LEU A 35 -18.444 -3.201 3.172 1.00 0.00 C ATOM 564 O LEU A 35 -18.218 -2.971 2.001 1.00 0.00 O ATOM 565 CB LEU A 35 -20.427 -4.755 3.253 1.00 0.00 C ATOM 566 CG LEU A 35 -21.487 -5.223 4.255 1.00 0.00 C ATOM 567 CD1 LEU A 35 -20.828 -5.515 5.605 1.00 0.00 C ATOM 568 CD2 LEU A 35 -22.543 -4.130 4.433 1.00 0.00 C ATOM 0 H LEU A 35 -21.669 -2.764 2.700 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.851 -3.291 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.861 -4.686 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.617 -5.483 3.199 1.00 0.00 H new ATOM 0 HG LEU A 35 -21.960 -6.130 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.585 -5.848 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.078 -6.296 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.351 -4.610 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.296 -4.465 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.068 -3.223 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -23.018 -3.923 3.474 1.00 0.00 H new ATOM 580 N THR A 36 -17.475 -3.287 4.044 1.00 0.00 N ATOM 581 CA THR A 36 -16.058 -3.100 3.608 1.00 0.00 C ATOM 582 C THR A 36 -15.351 -4.453 3.471 1.00 0.00 C ATOM 583 O THR A 36 -15.980 -5.492 3.432 1.00 0.00 O ATOM 584 CB THR A 36 -15.413 -2.267 4.716 1.00 0.00 C ATOM 585 OG1 THR A 36 -16.148 -2.432 5.921 1.00 0.00 O ATOM 586 CG2 THR A 36 -15.418 -0.792 4.313 1.00 0.00 C ATOM 0 H THR A 36 -17.602 -3.478 5.038 1.00 0.00 H new ATOM 0 HA THR A 36 -15.990 -2.614 2.635 1.00 0.00 H new ATOM 0 HB THR A 36 -14.386 -2.598 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.106 -3.369 6.204 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.958 -0.198 5.103 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.854 -0.665 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.445 -0.460 4.160 1.00 0.00 H new ATOM 594 N THR A 37 -14.046 -4.446 3.393 1.00 0.00 N ATOM 595 CA THR A 37 -13.297 -5.730 3.254 1.00 0.00 C ATOM 596 C THR A 37 -12.871 -6.245 4.636 1.00 0.00 C ATOM 597 O THR A 37 -12.069 -7.148 4.751 1.00 0.00 O ATOM 598 CB THR A 37 -12.087 -5.384 2.368 1.00 0.00 C ATOM 599 OG1 THR A 37 -11.810 -6.480 1.508 1.00 0.00 O ATOM 600 CG2 THR A 37 -10.848 -5.084 3.219 1.00 0.00 C ATOM 0 H THR A 37 -13.467 -3.607 3.420 1.00 0.00 H new ATOM 0 HA THR A 37 -13.894 -6.526 2.810 1.00 0.00 H new ATOM 0 HB THR A 37 -12.328 -4.495 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.420 -6.149 0.672 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.008 -4.843 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.053 -4.238 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.600 -5.958 3.821 1.00 0.00 H new ATOM 608 N THR A 38 -13.414 -5.674 5.676 1.00 0.00 N ATOM 609 CA THR A 38 -13.067 -6.109 7.064 1.00 0.00 C ATOM 610 C THR A 38 -11.554 -6.202 7.268 1.00 0.00 C ATOM 611 O THR A 38 -10.779 -6.114 6.338 1.00 0.00 O ATOM 612 CB THR A 38 -13.722 -7.477 7.248 1.00 0.00 C ATOM 613 OG1 THR A 38 -14.151 -7.977 5.989 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.928 -7.341 8.178 1.00 0.00 C ATOM 0 H THR A 38 -14.093 -4.914 5.625 1.00 0.00 H new ATOM 0 HA THR A 38 -13.424 -5.386 7.797 1.00 0.00 H new ATOM 0 HB THR A 38 -12.999 -8.167 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.707 -8.773 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.397 -8.316 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 38 -14.600 -6.961 9.146 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.648 -6.649 7.741 1.00 0.00 H new ATOM 622 N ARG A 39 -11.131 -6.377 8.492 1.00 0.00 N ATOM 623 CA ARG A 39 -9.667 -6.467 8.768 1.00 0.00 C ATOM 624 C ARG A 39 -9.171 -7.893 8.534 1.00 0.00 C ATOM 625 O ARG A 39 -8.193 -8.112 7.849 1.00 0.00 O ATOM 626 CB ARG A 39 -9.492 -6.049 10.233 1.00 0.00 C ATOM 627 CG ARG A 39 -10.186 -7.053 11.155 1.00 0.00 C ATOM 628 CD ARG A 39 -10.123 -6.553 12.600 1.00 0.00 C ATOM 629 NE ARG A 39 -8.697 -6.183 12.819 1.00 0.00 N ATOM 630 CZ ARG A 39 -7.930 -6.942 13.554 1.00 0.00 C ATOM 631 NH1 ARG A 39 -7.508 -8.087 13.090 1.00 0.00 N ATOM 632 NH2 ARG A 39 -7.587 -6.557 14.754 1.00 0.00 N ATOM 0 H ARG A 39 -11.734 -6.461 9.310 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.086 -5.824 8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.432 -5.992 10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.909 -5.054 10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.224 -7.184 10.850 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.705 -8.028 11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.780 -5.697 12.750 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.442 -7.326 13.299 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.319 -5.336 12.394 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.778 -8.388 12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.909 -8.680 13.664 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.918 -5.663 15.117 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.988 -7.150 15.328 1.00 0.00 H new ATOM 646 N GLU A 40 -9.850 -8.867 9.068 1.00 0.00 N ATOM 647 CA GLU A 40 -9.424 -10.274 8.837 1.00 0.00 C ATOM 648 C GLU A 40 -9.587 -10.570 7.355 1.00 0.00 C ATOM 649 O GLU A 40 -8.726 -11.133 6.709 1.00 0.00 O ATOM 650 CB GLU A 40 -10.391 -11.119 9.662 1.00 0.00 C ATOM 651 CG GLU A 40 -9.915 -12.573 9.680 1.00 0.00 C ATOM 652 CD GLU A 40 -11.123 -13.508 9.577 1.00 0.00 C ATOM 653 OE1 GLU A 40 -11.947 -13.480 10.476 1.00 0.00 O ATOM 654 OE2 GLU A 40 -11.202 -14.235 8.601 1.00 0.00 O ATOM 0 H GLU A 40 -10.678 -8.751 9.652 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.390 -10.473 9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.450 -10.733 10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.394 -11.059 9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.231 -12.753 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.363 -12.775 10.598 1.00 0.00 H new ATOM 661 N ALA A 41 -10.696 -10.158 6.819 1.00 0.00 N ATOM 662 CA ALA A 41 -10.959 -10.364 5.373 1.00 0.00 C ATOM 663 C ALA A 41 -10.001 -9.493 4.560 1.00 0.00 C ATOM 664 O ALA A 41 -9.666 -9.800 3.433 1.00 0.00 O ATOM 665 CB ALA A 41 -12.404 -9.903 5.186 1.00 0.00 C ATOM 0 H ALA A 41 -11.441 -9.681 7.327 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.815 -11.394 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.690 -10.019 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.062 -10.506 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.491 -8.855 5.472 1.00 0.00 H new ATOM 671 N ALA A 42 -9.551 -8.409 5.135 1.00 0.00 N ATOM 672 CA ALA A 42 -8.605 -7.516 4.409 1.00 0.00 C ATOM 673 C ALA A 42 -7.301 -8.261 4.139 1.00 0.00 C ATOM 674 O ALA A 42 -6.923 -8.485 3.006 1.00 0.00 O ATOM 675 CB ALA A 42 -8.364 -6.337 5.351 1.00 0.00 C ATOM 0 H ALA A 42 -9.799 -8.105 6.076 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.997 -7.188 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.675 -5.633 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.310 -5.836 5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.935 -6.699 6.285 1.00 0.00 H new ATOM 681 N VAL A 43 -6.615 -8.655 5.173 1.00 0.00 N ATOM 682 CA VAL A 43 -5.342 -9.399 4.975 1.00 0.00 C ATOM 683 C VAL A 43 -5.568 -10.526 3.969 1.00 0.00 C ATOM 684 O VAL A 43 -4.711 -10.837 3.166 1.00 0.00 O ATOM 685 CB VAL A 43 -4.981 -9.957 6.352 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.811 -10.932 6.218 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.581 -8.806 7.279 1.00 0.00 C ATOM 0 H VAL A 43 -6.880 -8.495 6.145 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.542 -8.771 4.584 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.842 -10.479 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.554 -11.329 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.094 -11.752 5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.949 -10.411 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.323 -9.203 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.720 -8.285 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.415 -8.110 7.376 1.00 0.00 H new ATOM 697 N GLU A 44 -6.727 -11.129 3.990 1.00 0.00 N ATOM 698 CA GLU A 44 -7.009 -12.218 3.015 1.00 0.00 C ATOM 699 C GLU A 44 -6.879 -11.655 1.602 1.00 0.00 C ATOM 700 O GLU A 44 -6.119 -12.146 0.791 1.00 0.00 O ATOM 701 CB GLU A 44 -8.447 -12.657 3.299 1.00 0.00 C ATOM 702 CG GLU A 44 -8.458 -14.127 3.721 1.00 0.00 C ATOM 703 CD GLU A 44 -8.349 -15.014 2.479 1.00 0.00 C ATOM 704 OE1 GLU A 44 -7.266 -15.090 1.923 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.350 -15.601 2.105 1.00 0.00 O ATOM 0 H GLU A 44 -7.486 -10.915 4.637 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.321 -13.059 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.879 -12.039 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.063 -12.518 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.628 -14.328 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.376 -14.354 4.264 1.00 0.00 H new ATOM 712 N GLN A 45 -7.595 -10.604 1.317 1.00 0.00 N ATOM 713 CA GLN A 45 -7.492 -9.978 -0.028 1.00 0.00 C ATOM 714 C GLN A 45 -6.019 -9.716 -0.324 1.00 0.00 C ATOM 715 O GLN A 45 -5.560 -9.822 -1.444 1.00 0.00 O ATOM 716 CB GLN A 45 -8.254 -8.658 0.095 1.00 0.00 C ATOM 717 CG GLN A 45 -8.776 -8.230 -1.278 1.00 0.00 C ATOM 718 CD GLN A 45 -8.957 -6.711 -1.302 1.00 0.00 C ATOM 719 OE1 GLN A 45 -9.267 -6.108 -0.293 1.00 0.00 O ATOM 720 NE2 GLN A 45 -8.777 -6.061 -2.420 1.00 0.00 N ATOM 0 H GLN A 45 -8.247 -10.152 1.958 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.895 -10.599 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.085 -8.771 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.600 -7.887 0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.077 -8.536 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.725 -8.724 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.517 -6.566 -3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.896 -5.048 -2.446 1.00 0.00 H new ATOM 729 N LEU A 46 -5.278 -9.385 0.696 1.00 0.00 N ATOM 730 CA LEU A 46 -3.824 -9.123 0.522 1.00 0.00 C ATOM 731 C LEU A 46 -3.101 -10.435 0.228 1.00 0.00 C ATOM 732 O LEU A 46 -2.179 -10.489 -0.563 1.00 0.00 O ATOM 733 CB LEU A 46 -3.370 -8.548 1.863 1.00 0.00 C ATOM 734 CG LEU A 46 -2.281 -7.502 1.628 1.00 0.00 C ATOM 735 CD1 LEU A 46 -1.217 -8.077 0.694 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.902 -6.258 0.990 1.00 0.00 C ATOM 0 H LEU A 46 -5.622 -9.284 1.651 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.611 -8.444 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.216 -8.097 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.991 -9.345 2.503 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.822 -7.233 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.440 -7.332 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.776 -8.965 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.675 -8.345 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.127 -5.510 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.360 -6.527 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.662 -5.849 1.655 1.00 0.00 H new ATOM 748 N LYS A 47 -3.522 -11.498 0.854 1.00 0.00 N ATOM 749 CA LYS A 47 -2.874 -12.815 0.606 1.00 0.00 C ATOM 750 C LYS A 47 -2.897 -13.111 -0.892 1.00 0.00 C ATOM 751 O LYS A 47 -1.873 -13.200 -1.546 1.00 0.00 O ATOM 752 CB LYS A 47 -3.735 -13.827 1.365 1.00 0.00 C ATOM 753 CG LYS A 47 -2.837 -14.743 2.197 1.00 0.00 C ATOM 754 CD LYS A 47 -2.449 -14.035 3.495 1.00 0.00 C ATOM 755 CE LYS A 47 -3.668 -13.952 4.415 1.00 0.00 C ATOM 756 NZ LYS A 47 -3.839 -15.330 4.953 1.00 0.00 N ATOM 0 H LYS A 47 -4.288 -11.511 1.528 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.835 -12.845 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.440 -13.306 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.323 -14.418 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.357 -15.675 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.943 -15.004 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.643 -14.576 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.075 -13.034 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.508 -13.232 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.554 -13.629 3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.775 -15.695 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.100 -15.949 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.762 -15.310 5.990 1.00 0.00 H new ATOM 770 N SER A 48 -4.069 -13.250 -1.442 1.00 0.00 N ATOM 771 CA SER A 48 -4.182 -13.523 -2.899 1.00 0.00 C ATOM 772 C SER A 48 -3.467 -12.425 -3.682 1.00 0.00 C ATOM 773 O SER A 48 -2.930 -12.660 -4.737 1.00 0.00 O ATOM 774 CB SER A 48 -5.682 -13.510 -3.195 1.00 0.00 C ATOM 775 OG SER A 48 -6.158 -14.848 -3.266 1.00 0.00 O ATOM 0 H SER A 48 -4.956 -13.186 -0.943 1.00 0.00 H new ATOM 0 HA SER A 48 -3.727 -14.472 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.213 -12.964 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.875 -12.993 -4.135 1.00 0.00 H new ATOM 0 HG SER A 48 -7.120 -14.844 -3.454 1.00 0.00 H new ATOM 781 N ILE A 49 -3.447 -11.226 -3.170 1.00 0.00 N ATOM 782 CA ILE A 49 -2.753 -10.126 -3.898 1.00 0.00 C ATOM 783 C ILE A 49 -1.346 -10.585 -4.295 1.00 0.00 C ATOM 784 O ILE A 49 -1.029 -10.695 -5.461 1.00 0.00 O ATOM 785 CB ILE A 49 -2.737 -8.938 -2.911 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.619 -7.818 -3.467 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.316 -8.393 -2.703 1.00 0.00 C ATOM 788 CD1 ILE A 49 -3.041 -7.319 -4.794 1.00 0.00 C ATOM 0 H ILE A 49 -3.878 -10.961 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.248 -9.839 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.112 -9.290 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.636 -8.182 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.676 -6.997 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.345 -7.558 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.679 -9.181 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.914 -8.052 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.671 -6.521 -5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.033 -6.938 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.008 -8.141 -5.508 1.00 0.00 H new ATOM 800 N ARG A 50 -0.507 -10.869 -3.340 1.00 0.00 N ATOM 801 CA ARG A 50 0.866 -11.334 -3.685 1.00 0.00 C ATOM 802 C ARG A 50 0.762 -12.394 -4.780 1.00 0.00 C ATOM 803 O ARG A 50 1.467 -12.359 -5.770 1.00 0.00 O ATOM 804 CB ARG A 50 1.427 -11.936 -2.394 1.00 0.00 C ATOM 805 CG ARG A 50 2.922 -12.218 -2.565 1.00 0.00 C ATOM 806 CD ARG A 50 3.315 -13.423 -1.706 1.00 0.00 C ATOM 807 NE ARG A 50 2.689 -14.596 -2.379 1.00 0.00 N ATOM 808 CZ ARG A 50 3.386 -15.680 -2.582 1.00 0.00 C ATOM 809 NH1 ARG A 50 4.336 -16.010 -1.752 1.00 0.00 N ATOM 810 NH2 ARG A 50 3.132 -16.433 -3.617 1.00 0.00 N ATOM 0 H ARG A 50 -0.709 -10.800 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 50 1.509 -10.535 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.269 -11.249 -1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.898 -12.858 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.148 -12.415 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.504 -11.344 -2.272 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.398 -13.532 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.952 -13.314 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 50 1.716 -14.551 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.534 -15.421 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.881 -16.858 -1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.389 -16.174 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.676 -17.281 -3.777 1.00 0.00 H new ATOM 824 N GLU A 51 -0.139 -13.322 -4.617 1.00 0.00 N ATOM 825 CA GLU A 51 -0.330 -14.377 -5.652 1.00 0.00 C ATOM 826 C GLU A 51 -0.805 -13.715 -6.944 1.00 0.00 C ATOM 827 O GLU A 51 -0.163 -13.771 -7.970 1.00 0.00 O ATOM 828 CB GLU A 51 -1.414 -15.281 -5.051 1.00 0.00 C ATOM 829 CG GLU A 51 -2.295 -15.889 -6.145 1.00 0.00 C ATOM 830 CD GLU A 51 -1.419 -16.424 -7.276 1.00 0.00 C ATOM 831 OE1 GLU A 51 -0.335 -16.902 -6.985 1.00 0.00 O ATOM 832 OE2 GLU A 51 -1.849 -16.348 -8.415 1.00 0.00 O ATOM 0 H GLU A 51 -0.755 -13.396 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 51 0.573 -14.937 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.947 -16.077 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.031 -14.705 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.902 -16.694 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.983 -15.137 -6.530 1.00 0.00 H new ATOM 839 N ASP A 52 -1.921 -13.072 -6.894 1.00 0.00 N ATOM 840 CA ASP A 52 -2.418 -12.381 -8.111 1.00 0.00 C ATOM 841 C ASP A 52 -1.266 -11.569 -8.704 1.00 0.00 C ATOM 842 O ASP A 52 -0.920 -11.714 -9.859 1.00 0.00 O ATOM 843 CB ASP A 52 -3.544 -11.463 -7.627 1.00 0.00 C ATOM 844 CG ASP A 52 -4.885 -12.188 -7.748 1.00 0.00 C ATOM 845 OD1 ASP A 52 -5.143 -13.054 -6.928 1.00 0.00 O ATOM 846 OD2 ASP A 52 -5.632 -11.864 -8.656 1.00 0.00 O ATOM 0 H ASP A 52 -2.515 -12.990 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.780 -13.064 -8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.369 -11.171 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.560 -10.547 -8.218 1.00 0.00 H new ATOM 851 N ILE A 53 -0.644 -10.741 -7.906 1.00 0.00 N ATOM 852 CA ILE A 53 0.513 -9.957 -8.417 1.00 0.00 C ATOM 853 C ILE A 53 1.546 -10.943 -8.954 1.00 0.00 C ATOM 854 O ILE A 53 2.307 -10.648 -9.854 1.00 0.00 O ATOM 855 CB ILE A 53 1.065 -9.200 -7.207 1.00 0.00 C ATOM 856 CG1 ILE A 53 -0.030 -8.308 -6.614 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.245 -8.331 -7.646 1.00 0.00 C ATOM 858 CD1 ILE A 53 -0.284 -7.121 -7.543 1.00 0.00 C ATOM 0 H ILE A 53 -0.887 -10.576 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 53 0.247 -9.264 -9.216 1.00 0.00 H new ATOM 0 HB ILE A 53 1.397 -9.915 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.947 -8.881 -6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.270 -7.953 -5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.639 -7.791 -6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.026 -8.964 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.911 -7.618 -8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.063 -6.488 -7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.633 -6.543 -7.654 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.603 -7.485 -8.520 1.00 0.00 H new ATOM 870 N VAL A 54 1.552 -12.128 -8.406 1.00 0.00 N ATOM 871 CA VAL A 54 2.499 -13.176 -8.871 1.00 0.00 C ATOM 872 C VAL A 54 1.967 -13.788 -10.173 1.00 0.00 C ATOM 873 O VAL A 54 2.539 -13.615 -11.230 1.00 0.00 O ATOM 874 CB VAL A 54 2.541 -14.205 -7.724 1.00 0.00 C ATOM 875 CG1 VAL A 54 2.785 -15.613 -8.269 1.00 0.00 C ATOM 876 CG2 VAL A 54 3.666 -13.843 -6.757 1.00 0.00 C ATOM 0 H VAL A 54 0.933 -12.416 -7.648 1.00 0.00 H new ATOM 0 HA VAL A 54 3.498 -12.798 -9.088 1.00 0.00 H new ATOM 0 HB VAL A 54 1.581 -14.187 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.811 -16.324 -7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.981 -15.882 -8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.737 -15.638 -8.799 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.696 -14.570 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.618 -13.851 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.487 -12.849 -6.347 1.00 0.00 H new ATOM 886 N SER A 55 0.867 -14.487 -10.106 1.00 0.00 N ATOM 887 CA SER A 55 0.289 -15.092 -11.343 1.00 0.00 C ATOM 888 C SER A 55 -0.818 -14.193 -11.899 1.00 0.00 C ATOM 889 O SER A 55 -1.584 -13.611 -11.158 1.00 0.00 O ATOM 890 CB SER A 55 -0.289 -16.438 -10.912 1.00 0.00 C ATOM 891 OG SER A 55 0.118 -16.724 -9.581 1.00 0.00 O ATOM 0 H SER A 55 0.343 -14.666 -9.250 1.00 0.00 H new ATOM 0 HA SER A 55 1.038 -15.208 -12.126 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.377 -16.415 -10.974 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.052 -17.225 -11.585 1.00 0.00 H new ATOM 0 HG SER A 55 -0.601 -17.198 -9.114 1.00 0.00 H new ATOM 897 N GLY A 56 -0.914 -14.076 -13.194 1.00 0.00 N ATOM 898 CA GLY A 56 -1.974 -13.220 -13.783 1.00 0.00 C ATOM 899 C GLY A 56 -1.369 -11.881 -14.185 1.00 0.00 C ATOM 900 O GLY A 56 -0.937 -11.109 -13.353 1.00 0.00 O ATOM 0 H GLY A 56 -0.303 -14.537 -13.868 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.413 -13.710 -14.652 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.778 -13.068 -13.063 1.00 0.00 H new ATOM 904 N LYS A 57 -1.334 -11.595 -15.455 1.00 0.00 N ATOM 905 CA LYS A 57 -0.761 -10.307 -15.918 1.00 0.00 C ATOM 906 C LYS A 57 -1.723 -9.155 -15.599 1.00 0.00 C ATOM 907 O LYS A 57 -2.067 -8.363 -16.453 1.00 0.00 O ATOM 908 CB LYS A 57 -0.622 -10.502 -17.422 1.00 0.00 C ATOM 909 CG LYS A 57 0.473 -9.588 -17.969 1.00 0.00 C ATOM 910 CD LYS A 57 1.503 -10.438 -18.715 1.00 0.00 C ATOM 911 CE LYS A 57 2.906 -9.871 -18.489 1.00 0.00 C ATOM 912 NZ LYS A 57 3.739 -10.468 -19.571 1.00 0.00 N ATOM 0 H LYS A 57 -1.681 -12.204 -16.196 1.00 0.00 H new ATOM 0 HA LYS A 57 0.185 -10.055 -15.438 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.382 -11.542 -17.641 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.569 -10.283 -17.914 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.043 -8.844 -18.639 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.952 -9.045 -17.154 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.457 -11.470 -18.366 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.274 -10.451 -19.781 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.906 -8.782 -18.545 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.287 -10.139 -17.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.718 -10.127 -19.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.725 -11.505 -19.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.356 -10.190 -20.497 1.00 0.00 H new ATOM 926 N ALA A 58 -2.162 -9.064 -14.371 1.00 0.00 N ATOM 927 CA ALA A 58 -3.103 -7.978 -13.981 1.00 0.00 C ATOM 928 C ALA A 58 -2.380 -6.633 -13.930 1.00 0.00 C ATOM 929 O ALA A 58 -2.994 -5.590 -13.837 1.00 0.00 O ATOM 930 CB ALA A 58 -3.559 -8.381 -12.589 1.00 0.00 C ATOM 0 H ALA A 58 -1.906 -9.702 -13.617 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.927 -7.861 -14.685 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.261 -7.640 -12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.047 -9.355 -12.634 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.696 -8.438 -11.926 1.00 0.00 H new ATOM 936 N ASN A 59 -1.078 -6.664 -13.981 1.00 0.00 N ATOM 937 CA ASN A 59 -0.265 -5.413 -13.930 1.00 0.00 C ATOM 938 C ASN A 59 -0.234 -4.865 -12.498 1.00 0.00 C ATOM 939 O ASN A 59 0.016 -5.595 -11.560 1.00 0.00 O ATOM 940 CB ASN A 59 -0.956 -4.441 -14.882 1.00 0.00 C ATOM 941 CG ASN A 59 0.015 -3.325 -15.275 1.00 0.00 C ATOM 942 OD1 ASN A 59 -0.135 -2.196 -14.854 1.00 0.00 O ATOM 943 ND2 ASN A 59 1.012 -3.598 -16.070 1.00 0.00 N ATOM 0 H ASN A 59 -0.530 -7.521 -14.057 1.00 0.00 H new ATOM 0 HA ASN A 59 0.772 -5.579 -14.223 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.297 -4.970 -15.772 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.839 -4.016 -14.405 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.666 -2.863 -16.338 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.138 -4.547 -16.423 1.00 0.00 H new ATOM 950 N PHE A 60 -0.475 -3.593 -12.313 1.00 0.00 N ATOM 951 CA PHE A 60 -0.441 -3.035 -10.930 1.00 0.00 C ATOM 952 C PHE A 60 -0.802 -1.547 -10.933 1.00 0.00 C ATOM 953 O PHE A 60 -1.352 -1.031 -9.981 1.00 0.00 O ATOM 954 CB PHE A 60 1.005 -3.229 -10.473 1.00 0.00 C ATOM 955 CG PHE A 60 1.159 -2.743 -9.053 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.125 -1.372 -8.773 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.339 -3.666 -8.018 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.272 -0.925 -7.456 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.485 -3.219 -6.700 1.00 0.00 C ATOM 960 CZ PHE A 60 1.452 -1.848 -6.419 1.00 0.00 C ATOM 0 H PHE A 60 -0.692 -2.923 -13.051 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.158 -3.526 -10.272 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.279 -4.282 -10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.681 -2.682 -11.130 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.985 -0.660 -9.573 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.365 -4.723 -8.236 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.247 0.133 -7.239 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.623 -3.931 -5.900 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.565 -1.502 -5.402 1.00 0.00 H new ATOM 970 N GLU A 61 -0.487 -0.852 -11.989 1.00 0.00 N ATOM 971 CA GLU A 61 -0.800 0.606 -12.046 1.00 0.00 C ATOM 972 C GLU A 61 -2.292 0.853 -11.806 1.00 0.00 C ATOM 973 O GLU A 61 -2.713 1.103 -10.695 1.00 0.00 O ATOM 974 CB GLU A 61 -0.405 1.043 -13.456 1.00 0.00 C ATOM 975 CG GLU A 61 1.109 1.254 -13.520 1.00 0.00 C ATOM 976 CD GLU A 61 1.406 2.640 -14.093 1.00 0.00 C ATOM 977 OE1 GLU A 61 0.929 3.609 -13.526 1.00 0.00 O ATOM 978 OE2 GLU A 61 2.107 2.710 -15.090 1.00 0.00 O ATOM 0 H GLU A 61 -0.026 -1.229 -12.817 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.266 1.165 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.708 0.287 -14.181 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.923 1.965 -13.721 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.543 1.160 -12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.568 0.485 -14.142 1.00 0.00 H new ATOM 985 N GLU A 62 -3.090 0.795 -12.840 1.00 0.00 N ATOM 986 CA GLU A 62 -4.554 1.036 -12.669 1.00 0.00 C ATOM 987 C GLU A 62 -5.054 0.365 -11.388 1.00 0.00 C ATOM 988 O GLU A 62 -5.920 0.877 -10.706 1.00 0.00 O ATOM 989 CB GLU A 62 -5.206 0.408 -13.901 1.00 0.00 C ATOM 990 CG GLU A 62 -4.978 -1.104 -13.885 1.00 0.00 C ATOM 991 CD GLU A 62 -5.565 -1.724 -15.155 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.476 -1.133 -15.712 1.00 0.00 O ATOM 993 OE2 GLU A 62 -5.096 -2.779 -15.548 1.00 0.00 O ATOM 0 H GLU A 62 -2.792 0.592 -13.794 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.792 2.096 -12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.274 0.625 -13.911 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.785 0.840 -14.809 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.912 -1.321 -13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.446 -1.543 -13.004 1.00 0.00 H new ATOM 1000 N VAL A 63 -4.509 -0.771 -11.046 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.953 -1.453 -9.798 1.00 0.00 C ATOM 1002 C VAL A 63 -4.695 -0.538 -8.604 1.00 0.00 C ATOM 1003 O VAL A 63 -5.474 -0.475 -7.675 1.00 0.00 O ATOM 1004 CB VAL A 63 -4.101 -2.718 -9.706 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.537 -3.541 -8.492 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -4.288 -3.550 -10.976 1.00 0.00 C ATOM 0 H VAL A 63 -3.781 -1.253 -11.573 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.017 -1.691 -9.803 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.052 -2.442 -9.601 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.929 -4.443 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.407 -2.949 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.586 -3.817 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.681 -4.453 -10.912 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.338 -3.825 -11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.979 -2.966 -11.843 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.611 0.188 -8.632 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.313 1.116 -7.508 1.00 0.00 C ATOM 1018 C ALA A 64 -4.257 2.316 -7.586 1.00 0.00 C ATOM 1019 O ALA A 64 -5.016 2.579 -6.676 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.862 1.550 -7.716 1.00 0.00 C ATOM 0 H ALA A 64 -2.921 0.178 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.449 0.654 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.571 2.238 -6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.213 0.674 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.766 2.048 -8.681 1.00 0.00 H new ATOM 1026 N THR A 65 -4.230 3.033 -8.676 1.00 0.00 N ATOM 1027 CA THR A 65 -5.143 4.203 -8.817 1.00 0.00 C ATOM 1028 C THR A 65 -6.544 3.815 -8.339 1.00 0.00 C ATOM 1029 O THR A 65 -7.304 4.639 -7.869 1.00 0.00 O ATOM 1030 CB THR A 65 -5.156 4.524 -10.312 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.598 3.435 -11.034 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.338 5.789 -10.577 1.00 0.00 C ATOM 0 H THR A 65 -3.617 2.860 -9.473 1.00 0.00 H new ATOM 0 HA THR A 65 -4.821 5.060 -8.226 1.00 0.00 H new ATOM 0 HB THR A 65 -6.183 4.688 -10.637 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.023 3.777 -11.750 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.350 6.013 -11.644 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.770 6.624 -10.025 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.310 5.632 -10.251 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.884 2.559 -8.451 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.229 2.102 -8.000 1.00 0.00 C ATOM 1042 C ARG A 66 -8.212 1.859 -6.490 1.00 0.00 C ATOM 1043 O ARG A 66 -8.799 2.596 -5.723 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.474 0.796 -8.759 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.772 0.911 -9.561 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.754 -0.173 -9.109 1.00 0.00 C ATOM 1047 NE ARG A 66 -12.090 0.315 -9.551 1.00 0.00 N ATOM 1048 CZ ARG A 66 -13.123 0.192 -8.763 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -13.173 -0.783 -7.897 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -14.109 1.043 -8.844 1.00 0.00 N ATOM 0 H ARG A 66 -6.286 1.828 -8.837 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.012 2.835 -8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.638 0.588 -9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.538 -0.038 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.213 1.898 -9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.564 0.806 -10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.515 -1.136 -9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.721 -0.311 -8.028 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.198 0.745 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.404 -1.450 -7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.981 -0.878 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.072 1.803 -9.523 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.917 0.948 -8.229 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.530 0.836 -6.059 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.453 0.545 -4.598 1.00 0.00 C ATOM 1066 C VAL A 67 -6.191 1.193 -4.021 1.00 0.00 C ATOM 1067 O VAL A 67 -5.310 0.525 -3.519 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.372 -0.981 -4.506 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.225 -1.486 -5.379 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.118 -1.398 -3.058 1.00 0.00 C ATOM 0 H VAL A 67 -7.020 0.185 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.303 0.935 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.313 -1.409 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.168 -2.573 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.400 -1.194 -6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.287 -1.052 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.061 -2.485 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.178 -0.966 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.933 -1.041 -2.428 1.00 0.00 H new ATOM 1080 N SER A 68 -6.092 2.493 -4.109 1.00 0.00 N ATOM 1081 CA SER A 68 -4.878 3.191 -3.591 1.00 0.00 C ATOM 1082 C SER A 68 -5.195 3.995 -2.329 1.00 0.00 C ATOM 1083 O SER A 68 -6.311 4.012 -1.848 1.00 0.00 O ATOM 1084 CB SER A 68 -4.477 4.135 -4.717 1.00 0.00 C ATOM 1085 OG SER A 68 -5.635 4.461 -5.470 1.00 0.00 O ATOM 0 H SER A 68 -6.800 3.103 -4.518 1.00 0.00 H new ATOM 0 HA SER A 68 -4.092 2.487 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.024 5.039 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.730 3.665 -5.357 1.00 0.00 H new ATOM 0 HG SER A 68 -5.879 3.702 -6.040 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.210 4.669 -1.798 1.00 0.00 N ATOM 1092 CA ASP A 69 -4.430 5.488 -0.572 1.00 0.00 C ATOM 1093 C ASP A 69 -4.983 6.863 -0.951 1.00 0.00 C ATOM 1094 O ASP A 69 -4.348 7.878 -0.747 1.00 0.00 O ATOM 1095 CB ASP A 69 -3.048 5.620 0.072 1.00 0.00 C ATOM 1096 CG ASP A 69 -3.165 6.414 1.374 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -4.198 6.315 2.014 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -2.219 7.106 1.709 1.00 0.00 O ATOM 0 H ASP A 69 -3.258 4.687 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.151 5.032 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.633 4.632 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.363 6.121 -0.612 1.00 0.00 H new ATOM 1103 N CYS A 70 -6.165 6.901 -1.502 1.00 0.00 N ATOM 1104 CA CYS A 70 -6.766 8.207 -1.897 1.00 0.00 C ATOM 1105 C CYS A 70 -5.768 9.014 -2.736 1.00 0.00 C ATOM 1106 O CYS A 70 -5.683 8.858 -3.943 1.00 0.00 O ATOM 1107 CB CYS A 70 -7.065 8.918 -0.578 1.00 0.00 C ATOM 1108 SG CYS A 70 -7.642 10.600 -0.916 1.00 0.00 S ATOM 0 H CYS A 70 -6.742 6.083 -1.696 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.663 8.086 -2.504 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.822 8.368 -0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.170 8.947 0.043 1.00 0.00 H new ATOM 0 HG CYS A 70 -6.625 11.409 -0.951 1.00 0.00 H new ATOM 1114 N SER A 71 -4.992 9.861 -2.111 1.00 0.00 N ATOM 1115 CA SER A 71 -3.989 10.643 -2.881 1.00 0.00 C ATOM 1116 C SER A 71 -3.266 9.688 -3.814 1.00 0.00 C ATOM 1117 O SER A 71 -3.063 9.959 -4.981 1.00 0.00 O ATOM 1118 CB SER A 71 -3.037 11.186 -1.825 1.00 0.00 C ATOM 1119 OG SER A 71 -2.115 12.082 -2.432 1.00 0.00 O ATOM 0 H SER A 71 -5.011 10.042 -1.107 1.00 0.00 H new ATOM 0 HA SER A 71 -4.418 11.445 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.598 11.699 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.502 10.366 -1.347 1.00 0.00 H new ATOM 0 HG SER A 71 -1.503 12.433 -1.751 1.00 0.00 H new ATOM 1125 N SER A 72 -2.903 8.552 -3.299 1.00 0.00 N ATOM 1126 CA SER A 72 -2.219 7.541 -4.144 1.00 0.00 C ATOM 1127 C SER A 72 -3.099 7.243 -5.357 1.00 0.00 C ATOM 1128 O SER A 72 -2.615 7.052 -6.448 1.00 0.00 O ATOM 1129 CB SER A 72 -2.061 6.310 -3.256 1.00 0.00 C ATOM 1130 OG SER A 72 -0.724 6.247 -2.777 1.00 0.00 O ATOM 0 H SER A 72 -3.050 8.279 -2.327 1.00 0.00 H new ATOM 0 HA SER A 72 -1.250 7.874 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.758 6.359 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.301 5.408 -3.819 1.00 0.00 H new ATOM 0 HG SER A 72 -0.451 5.310 -2.692 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.394 7.248 -5.199 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.258 7.015 -6.390 1.00 0.00 C ATOM 1138 C ALA A 73 -4.776 7.961 -7.481 1.00 0.00 C ATOM 1139 O ALA A 73 -4.790 7.652 -8.655 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.681 7.354 -5.951 1.00 0.00 C ATOM 0 H ALA A 73 -4.883 7.400 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.222 5.993 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.365 7.202 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.970 6.707 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.725 8.395 -5.631 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.297 9.103 -7.072 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.742 10.081 -8.045 1.00 0.00 C ATOM 1148 C LYS A 74 -2.304 9.654 -8.367 1.00 0.00 C ATOM 1149 O LYS A 74 -1.810 9.835 -9.462 1.00 0.00 O ATOM 1150 CB LYS A 74 -3.774 11.424 -7.310 1.00 0.00 C ATOM 1151 CG LYS A 74 -3.742 12.567 -8.327 1.00 0.00 C ATOM 1152 CD LYS A 74 -3.954 13.900 -7.604 1.00 0.00 C ATOM 1153 CE LYS A 74 -2.616 14.401 -7.056 1.00 0.00 C ATOM 1154 NZ LYS A 74 -2.373 15.694 -7.756 1.00 0.00 N ATOM 0 H LYS A 74 -4.267 9.402 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.293 10.141 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.673 11.494 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.922 11.501 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.787 12.574 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.518 12.421 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.376 14.635 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.669 13.775 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.659 14.539 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.816 13.688 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.472 16.100 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.331 15.531 -8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.147 16.355 -7.543 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.653 9.060 -7.401 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.255 8.565 -7.583 1.00 0.00 C ATOM 1170 C ARG A 75 -0.217 7.063 -7.268 1.00 0.00 C ATOM 1171 O ARG A 75 0.445 6.627 -6.348 1.00 0.00 O ATOM 1172 CB ARG A 75 0.564 9.343 -6.553 1.00 0.00 C ATOM 1173 CG ARG A 75 2.027 9.394 -6.985 1.00 0.00 C ATOM 1174 CD ARG A 75 2.902 8.751 -5.906 1.00 0.00 C ATOM 1175 NE ARG A 75 2.986 9.773 -4.825 1.00 0.00 N ATOM 1176 CZ ARG A 75 2.140 9.743 -3.832 1.00 0.00 C ATOM 1177 NH1 ARG A 75 2.334 8.924 -2.836 1.00 0.00 N ATOM 1178 NH2 ARG A 75 1.102 10.534 -3.834 1.00 0.00 N ATOM 0 H ARG A 75 -2.041 8.893 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 75 0.124 8.705 -8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.170 10.354 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.481 8.868 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.156 8.870 -7.932 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.333 10.427 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.461 7.824 -5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.890 8.503 -6.294 1.00 0.00 H new ATOM 0 HE ARG A 75 3.705 10.496 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.147 8.307 -2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.673 8.900 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.952 11.176 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.441 10.510 -3.057 1.00 0.00 H new ATOM 1192 N GLY A 76 -0.956 6.277 -8.005 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.006 4.812 -7.733 1.00 0.00 C ATOM 1194 C GLY A 76 0.344 4.180 -8.034 1.00 0.00 C ATOM 1195 O GLY A 76 0.593 3.036 -7.710 1.00 0.00 O ATOM 0 H GLY A 76 -1.530 6.589 -8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.275 4.636 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.779 4.347 -8.345 1.00 0.00 H new ATOM 1199 N GLY A 77 1.218 4.912 -8.651 1.00 0.00 N ATOM 1200 CA GLY A 77 2.553 4.345 -8.971 1.00 0.00 C ATOM 1201 C GLY A 77 3.323 4.083 -7.674 1.00 0.00 C ATOM 1202 O GLY A 77 3.117 3.086 -6.993 1.00 0.00 O ATOM 0 H GLY A 77 1.069 5.876 -8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.440 3.418 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.111 5.035 -9.604 1.00 0.00 H new ATOM 1206 N ASP A 78 4.215 4.965 -7.324 1.00 0.00 N ATOM 1207 CA ASP A 78 4.999 4.753 -6.080 1.00 0.00 C ATOM 1208 C ASP A 78 5.430 6.085 -5.466 1.00 0.00 C ATOM 1209 O ASP A 78 5.742 7.032 -6.159 1.00 0.00 O ATOM 1210 CB ASP A 78 6.220 3.952 -6.533 1.00 0.00 C ATOM 1211 CG ASP A 78 7.168 4.865 -7.312 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.681 5.661 -8.097 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.366 4.751 -7.111 1.00 0.00 O ATOM 0 H ASP A 78 4.433 5.817 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 78 4.420 4.239 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.733 3.530 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.908 3.115 -7.158 1.00 0.00 H new ATOM 1218 N LEU A 79 5.454 6.157 -4.163 1.00 0.00 N ATOM 1219 CA LEU A 79 5.873 7.425 -3.495 1.00 0.00 C ATOM 1220 C LEU A 79 7.144 7.955 -4.157 1.00 0.00 C ATOM 1221 O LEU A 79 7.435 9.135 -4.139 1.00 0.00 O ATOM 1222 CB LEU A 79 6.161 7.065 -2.025 1.00 0.00 C ATOM 1223 CG LEU A 79 6.897 5.725 -1.903 1.00 0.00 C ATOM 1224 CD1 LEU A 79 8.324 5.866 -2.431 1.00 0.00 C ATOM 1225 CD2 LEU A 79 6.940 5.303 -0.431 1.00 0.00 C ATOM 0 H LEU A 79 5.203 5.396 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 79 5.103 8.193 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.761 7.852 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.223 7.017 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 79 6.371 4.971 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.841 4.911 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.296 6.167 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.854 6.621 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.463 4.351 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.465 6.061 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.923 5.196 -0.053 1.00 0.00 H new ATOM 1237 N GLY A 80 7.910 7.067 -4.710 1.00 0.00 N ATOM 1238 CA GLY A 80 9.189 7.441 -5.354 1.00 0.00 C ATOM 1239 C GLY A 80 10.316 7.144 -4.373 1.00 0.00 C ATOM 1240 O GLY A 80 11.005 6.145 -4.478 1.00 0.00 O ATOM 0 H GLY A 80 7.696 6.070 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.329 6.878 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.186 8.498 -5.622 1.00 0.00 H new ATOM 1244 N SER A 81 10.492 8.000 -3.407 1.00 0.00 N ATOM 1245 CA SER A 81 11.575 7.783 -2.404 1.00 0.00 C ATOM 1246 C SER A 81 11.242 8.430 -1.053 1.00 0.00 C ATOM 1247 O SER A 81 10.432 9.331 -0.962 1.00 0.00 O ATOM 1248 CB SER A 81 12.806 8.439 -3.016 1.00 0.00 C ATOM 1249 OG SER A 81 12.772 9.838 -2.766 1.00 0.00 O ATOM 0 H SER A 81 9.933 8.842 -3.267 1.00 0.00 H new ATOM 0 HA SER A 81 11.718 6.722 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.711 8.005 -2.592 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.835 8.251 -4.089 1.00 0.00 H new ATOM 0 HG SER A 81 13.580 10.103 -2.278 1.00 0.00 H new ATOM 1255 N PHE A 82 11.881 7.974 -0.006 1.00 0.00 N ATOM 1256 CA PHE A 82 11.636 8.548 1.351 1.00 0.00 C ATOM 1257 C PHE A 82 12.618 7.937 2.353 1.00 0.00 C ATOM 1258 O PHE A 82 13.663 7.438 1.984 1.00 0.00 O ATOM 1259 CB PHE A 82 10.202 8.162 1.710 1.00 0.00 C ATOM 1260 CG PHE A 82 10.049 6.663 1.641 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.784 6.055 0.414 1.00 0.00 C ATOM 1262 CD2 PHE A 82 10.168 5.882 2.797 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.641 4.665 0.337 1.00 0.00 C ATOM 1264 CE2 PHE A 82 10.022 4.490 2.716 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.760 3.887 1.485 1.00 0.00 C ATOM 0 H PHE A 82 12.569 7.221 -0.034 1.00 0.00 H new ATOM 0 HA PHE A 82 11.775 9.629 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.959 8.517 2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.503 8.641 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.689 6.657 -0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.372 6.351 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.438 4.195 -0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.112 3.885 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 82 9.649 2.814 1.423 1.00 0.00 H new ATOM 1275 N GLY A 83 12.294 7.965 3.615 1.00 0.00 N ATOM 1276 CA GLY A 83 13.216 7.377 4.626 1.00 0.00 C ATOM 1277 C GLY A 83 13.160 8.200 5.915 1.00 0.00 C ATOM 1278 O GLY A 83 13.676 9.298 5.986 1.00 0.00 O ATOM 0 H GLY A 83 11.435 8.368 3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.936 6.344 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.234 7.360 4.238 1.00 0.00 H new ATOM 1282 N ARG A 84 12.538 7.677 6.938 1.00 0.00 N ATOM 1283 CA ARG A 84 12.450 8.426 8.227 1.00 0.00 C ATOM 1284 C ARG A 84 11.821 9.805 8.007 1.00 0.00 C ATOM 1285 O ARG A 84 12.490 10.751 7.642 1.00 0.00 O ATOM 1286 CB ARG A 84 13.897 8.571 8.700 1.00 0.00 C ATOM 1287 CG ARG A 84 14.400 7.230 9.241 1.00 0.00 C ATOM 1288 CD ARG A 84 15.225 6.522 8.164 1.00 0.00 C ATOM 1289 NE ARG A 84 16.399 5.955 8.886 1.00 0.00 N ATOM 1290 CZ ARG A 84 16.221 5.093 9.851 1.00 0.00 C ATOM 1291 NH1 ARG A 84 15.484 4.034 9.653 1.00 0.00 N ATOM 1292 NH2 ARG A 84 16.785 5.287 11.012 1.00 0.00 N ATOM 0 H ARG A 84 12.086 6.762 6.937 1.00 0.00 H new ATOM 0 HA ARG A 84 11.828 7.909 8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.528 8.901 7.875 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.961 9.334 9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.007 7.390 10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.557 6.606 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.646 5.738 7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.539 7.218 7.386 1.00 0.00 H new ATOM 0 HE ARG A 84 17.343 6.241 8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.047 3.879 8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.345 3.361 10.407 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.365 6.112 11.166 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.646 4.614 11.765 1.00 0.00 H new ATOM 1306 N GLY A 85 10.541 9.929 8.232 1.00 0.00 N ATOM 1307 CA GLY A 85 9.876 11.250 8.040 1.00 0.00 C ATOM 1308 C GLY A 85 8.669 11.089 7.114 1.00 0.00 C ATOM 1309 O GLY A 85 7.697 11.812 7.210 1.00 0.00 O ATOM 0 H GLY A 85 9.928 9.174 8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.558 11.651 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.581 11.964 7.614 1.00 0.00 H new ATOM 1313 N GLN A 86 8.725 10.147 6.215 1.00 0.00 N ATOM 1314 CA GLN A 86 7.583 9.936 5.278 1.00 0.00 C ATOM 1315 C GLN A 86 6.617 8.902 5.840 1.00 0.00 C ATOM 1316 O GLN A 86 5.586 9.216 6.402 1.00 0.00 O ATOM 1317 CB GLN A 86 8.212 9.356 4.013 1.00 0.00 C ATOM 1318 CG GLN A 86 8.526 10.453 3.003 1.00 0.00 C ATOM 1319 CD GLN A 86 7.310 11.363 2.825 1.00 0.00 C ATOM 1320 OE1 GLN A 86 6.325 10.972 2.232 1.00 0.00 O ATOM 1321 NE2 GLN A 86 7.337 12.571 3.319 1.00 0.00 N ATOM 0 H GLN A 86 9.513 9.512 6.087 1.00 0.00 H new ATOM 0 HA GLN A 86 7.035 10.863 5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.127 8.822 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.533 8.629 3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.381 11.037 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.802 10.010 2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.164 12.900 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.531 13.186 3.207 1.00 0.00 H new ATOM 1330 N MET A 87 6.959 7.662 5.660 1.00 0.00 N ATOM 1331 CA MET A 87 6.106 6.553 6.132 1.00 0.00 C ATOM 1332 C MET A 87 6.391 6.264 7.607 1.00 0.00 C ATOM 1333 O MET A 87 7.481 6.490 8.096 1.00 0.00 O ATOM 1334 CB MET A 87 6.535 5.398 5.233 1.00 0.00 C ATOM 1335 CG MET A 87 5.374 4.991 4.317 1.00 0.00 C ATOM 1336 SD MET A 87 4.654 6.463 3.541 1.00 0.00 S ATOM 1337 CE MET A 87 6.110 6.972 2.591 1.00 0.00 C ATOM 0 H MET A 87 7.817 7.368 5.193 1.00 0.00 H new ATOM 0 HA MET A 87 5.036 6.753 6.076 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.397 5.693 4.634 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.845 4.548 5.841 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.729 4.302 3.551 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.613 4.464 4.892 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.236 8.052 2.669 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.995 6.474 2.987 1.00 0.00 H new ATOM 0 HE3 MET A 87 5.976 6.697 1.545 1.00 0.00 H new ATOM 1347 N GLN A 88 5.412 5.786 8.323 1.00 0.00 N ATOM 1348 CA GLN A 88 5.612 5.504 9.772 1.00 0.00 C ATOM 1349 C GLN A 88 6.759 4.508 9.991 1.00 0.00 C ATOM 1350 O GLN A 88 7.647 4.372 9.174 1.00 0.00 O ATOM 1351 CB GLN A 88 4.281 4.922 10.247 1.00 0.00 C ATOM 1352 CG GLN A 88 3.770 5.732 11.440 1.00 0.00 C ATOM 1353 CD GLN A 88 2.518 5.067 12.014 1.00 0.00 C ATOM 1354 OE1 GLN A 88 1.419 5.547 11.821 1.00 0.00 O ATOM 1355 NE2 GLN A 88 2.638 3.972 12.716 1.00 0.00 N ATOM 0 H GLN A 88 4.479 5.578 7.966 1.00 0.00 H new ATOM 0 HA GLN A 88 5.887 6.401 10.326 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.551 4.946 9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.409 3.877 10.530 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.543 5.797 12.206 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.542 6.752 11.129 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.561 3.569 12.878 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.809 3.520 13.102 1.00 0.00 H new ATOM 1364 N LYS A 89 6.753 3.837 11.112 1.00 0.00 N ATOM 1365 CA LYS A 89 7.846 2.867 11.433 1.00 0.00 C ATOM 1366 C LYS A 89 7.690 1.527 10.693 1.00 0.00 C ATOM 1367 O LYS A 89 8.627 1.062 10.075 1.00 0.00 O ATOM 1368 CB LYS A 89 7.734 2.650 12.940 1.00 0.00 C ATOM 1369 CG LYS A 89 8.484 3.764 13.669 1.00 0.00 C ATOM 1370 CD LYS A 89 7.478 4.677 14.371 1.00 0.00 C ATOM 1371 CE LYS A 89 6.595 3.841 15.300 1.00 0.00 C ATOM 1372 NZ LYS A 89 6.345 4.714 16.479 1.00 0.00 N ATOM 0 H LYS A 89 6.031 3.919 11.828 1.00 0.00 H new ATOM 0 HA LYS A 89 8.815 3.257 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.686 2.644 13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.149 1.679 13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.174 3.337 14.397 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.082 4.339 12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.002 5.443 14.942 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.863 5.193 13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.662 3.560 14.811 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.093 2.916 15.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.745 4.210 17.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.251 4.959 16.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.864 5.583 16.171 1.00 0.00 H new ATOM 1386 N PRO A 90 6.528 0.927 10.795 1.00 0.00 N ATOM 1387 CA PRO A 90 6.295 -0.388 10.140 1.00 0.00 C ATOM 1388 C PRO A 90 6.460 -0.303 8.621 1.00 0.00 C ATOM 1389 O PRO A 90 7.177 -1.090 8.035 1.00 0.00 O ATOM 1390 CB PRO A 90 4.864 -0.744 10.546 1.00 0.00 C ATOM 1391 CG PRO A 90 4.236 0.567 10.877 1.00 0.00 C ATOM 1392 CD PRO A 90 5.328 1.394 11.498 1.00 0.00 C ATOM 0 HA PRO A 90 7.015 -1.146 10.448 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.334 -1.245 9.736 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.850 -1.419 11.402 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.840 1.049 9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.401 0.439 11.566 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.162 2.461 11.350 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.399 1.229 12.573 1.00 0.00 H new ATOM 1400 N PHE A 91 5.825 0.630 7.964 1.00 0.00 N ATOM 1401 CA PHE A 91 6.006 0.699 6.487 1.00 0.00 C ATOM 1402 C PHE A 91 7.493 0.757 6.165 1.00 0.00 C ATOM 1403 O PHE A 91 8.018 -0.066 5.447 1.00 0.00 O ATOM 1404 CB PHE A 91 5.318 1.984 6.010 1.00 0.00 C ATOM 1405 CG PHE A 91 5.554 2.137 4.516 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.851 2.352 4.020 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.483 2.028 3.619 1.00 0.00 C ATOM 1408 CE1 PHE A 91 7.070 2.456 2.655 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.712 2.142 2.239 1.00 0.00 C ATOM 1410 CZ PHE A 91 6.008 2.354 1.762 1.00 0.00 C ATOM 0 H PHE A 91 5.205 1.329 8.373 1.00 0.00 H new ATOM 0 HA PHE A 91 5.578 -0.174 5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.250 1.941 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.715 2.846 6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.681 2.437 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.483 1.857 3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.071 2.617 2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.887 2.066 1.546 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.185 2.439 0.700 1.00 0.00 H new ATOM 1420 N GLU A 92 8.172 1.746 6.671 1.00 0.00 N ATOM 1421 CA GLU A 92 9.625 1.871 6.377 1.00 0.00 C ATOM 1422 C GLU A 92 10.289 0.504 6.507 1.00 0.00 C ATOM 1423 O GLU A 92 10.877 -0.008 5.575 1.00 0.00 O ATOM 1424 CB GLU A 92 10.164 2.840 7.428 1.00 0.00 C ATOM 1425 CG GLU A 92 11.437 3.507 6.904 1.00 0.00 C ATOM 1426 CD GLU A 92 12.620 3.114 7.790 1.00 0.00 C ATOM 1427 OE1 GLU A 92 12.961 1.943 7.802 1.00 0.00 O ATOM 1428 OE2 GLU A 92 13.163 3.991 8.442 1.00 0.00 O ATOM 0 H GLU A 92 7.785 2.472 7.274 1.00 0.00 H new ATOM 0 HA GLU A 92 9.821 2.231 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.414 3.596 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.375 2.307 8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.623 3.202 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.317 4.590 6.899 1.00 0.00 H new ATOM 1435 N GLU A 93 10.179 -0.099 7.653 1.00 0.00 N ATOM 1436 CA GLU A 93 10.783 -1.445 7.845 1.00 0.00 C ATOM 1437 C GLU A 93 10.283 -2.379 6.736 1.00 0.00 C ATOM 1438 O GLU A 93 10.900 -3.376 6.420 1.00 0.00 O ATOM 1439 CB GLU A 93 10.299 -1.888 9.238 1.00 0.00 C ATOM 1440 CG GLU A 93 9.984 -3.389 9.256 1.00 0.00 C ATOM 1441 CD GLU A 93 9.398 -3.774 10.616 1.00 0.00 C ATOM 1442 OE1 GLU A 93 9.330 -2.911 11.475 1.00 0.00 O ATOM 1443 OE2 GLU A 93 9.029 -4.926 10.775 1.00 0.00 O ATOM 0 H GLU A 93 9.697 0.281 8.467 1.00 0.00 H new ATOM 0 HA GLU A 93 11.872 -1.453 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.064 -1.664 9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.410 -1.322 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.278 -3.632 8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.890 -3.963 9.063 1.00 0.00 H new ATOM 1450 N ALA A 94 9.171 -2.049 6.140 1.00 0.00 N ATOM 1451 CA ALA A 94 8.624 -2.896 5.043 1.00 0.00 C ATOM 1452 C ALA A 94 9.441 -2.685 3.774 1.00 0.00 C ATOM 1453 O ALA A 94 9.979 -3.613 3.203 1.00 0.00 O ATOM 1454 CB ALA A 94 7.193 -2.401 4.835 1.00 0.00 C ATOM 0 H ALA A 94 8.615 -1.225 6.367 1.00 0.00 H new ATOM 0 HA ALA A 94 8.658 -3.959 5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.721 -2.978 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.627 -2.525 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.209 -1.347 4.558 1.00 0.00 H new ATOM 1460 N THR A 95 9.540 -1.466 3.333 1.00 0.00 N ATOM 1461 CA THR A 95 10.326 -1.187 2.104 1.00 0.00 C ATOM 1462 C THR A 95 11.805 -1.435 2.384 1.00 0.00 C ATOM 1463 O THR A 95 12.563 -1.805 1.510 1.00 0.00 O ATOM 1464 CB THR A 95 10.084 0.287 1.792 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.687 0.538 1.739 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.720 0.622 0.444 1.00 0.00 C ATOM 0 H THR A 95 9.111 -0.651 3.770 1.00 0.00 H new ATOM 0 HA THR A 95 10.034 -1.824 1.269 1.00 0.00 H new ATOM 0 HB THR A 95 10.529 0.907 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.397 0.952 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.551 1.674 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.792 0.428 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.271 0.004 -0.334 1.00 0.00 H new ATOM 1474 N TYR A 96 12.217 -1.239 3.606 1.00 0.00 N ATOM 1475 CA TYR A 96 13.643 -1.469 3.957 1.00 0.00 C ATOM 1476 C TYR A 96 13.905 -2.971 4.067 1.00 0.00 C ATOM 1477 O TYR A 96 15.017 -3.436 3.911 1.00 0.00 O ATOM 1478 CB TYR A 96 13.825 -0.797 5.316 1.00 0.00 C ATOM 1479 CG TYR A 96 14.325 0.614 5.119 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.669 0.843 4.799 1.00 0.00 C ATOM 1481 CD2 TYR A 96 13.445 1.693 5.258 1.00 0.00 C ATOM 1482 CE1 TYR A 96 16.132 2.152 4.619 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.908 3.001 5.078 1.00 0.00 C ATOM 1484 CZ TYR A 96 15.251 3.231 4.759 1.00 0.00 C ATOM 1485 OH TYR A 96 15.707 4.521 4.582 1.00 0.00 O ATOM 0 H TYR A 96 11.625 -0.929 4.377 1.00 0.00 H new ATOM 0 HA TYR A 96 14.330 -1.070 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.879 -0.786 5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.533 -1.363 5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 96 16.348 0.010 4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 96 12.408 1.516 5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 96 17.168 2.329 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 96 13.229 3.834 5.185 1.00 0.00 H new ATOM 0 HH TYR A 96 16.447 4.521 3.940 1.00 0.00 H new ATOM 1495 N ALA A 97 12.879 -3.730 4.341 1.00 0.00 N ATOM 1496 CA ALA A 97 13.048 -5.205 4.469 1.00 0.00 C ATOM 1497 C ALA A 97 12.899 -5.879 3.102 1.00 0.00 C ATOM 1498 O ALA A 97 13.492 -6.906 2.838 1.00 0.00 O ATOM 1499 CB ALA A 97 11.923 -5.645 5.407 1.00 0.00 C ATOM 0 H ALA A 97 11.928 -3.390 4.482 1.00 0.00 H new ATOM 0 HA ALA A 97 14.033 -5.478 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.974 -6.724 5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.032 -5.141 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.960 -5.385 4.967 1.00 0.00 H new ATOM 1505 N LEU A 98 12.107 -5.313 2.231 1.00 0.00 N ATOM 1506 CA LEU A 98 11.919 -5.927 0.885 1.00 0.00 C ATOM 1507 C LEU A 98 13.026 -5.472 -0.069 1.00 0.00 C ATOM 1508 O LEU A 98 13.415 -4.321 -0.079 1.00 0.00 O ATOM 1509 CB LEU A 98 10.562 -5.416 0.401 1.00 0.00 C ATOM 1510 CG LEU A 98 9.781 -6.562 -0.240 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.465 -6.754 0.510 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.488 -6.225 -1.703 1.00 0.00 C ATOM 0 H LEU A 98 11.583 -4.453 2.393 1.00 0.00 H new ATOM 0 HA LEU A 98 11.959 -7.016 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.999 -5.002 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.702 -4.610 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 98 10.369 -7.478 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.904 -7.571 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.672 -6.991 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.878 -5.837 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.931 -7.043 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.898 -5.310 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.427 -6.082 -2.238 1.00 0.00 H new ATOM 1524 N LYS A 99 13.530 -6.365 -0.876 1.00 0.00 N ATOM 1525 CA LYS A 99 14.605 -5.983 -1.836 1.00 0.00 C ATOM 1526 C LYS A 99 14.049 -5.980 -3.265 1.00 0.00 C ATOM 1527 O LYS A 99 13.715 -4.946 -3.808 1.00 0.00 O ATOM 1528 CB LYS A 99 15.684 -7.055 -1.672 1.00 0.00 C ATOM 1529 CG LYS A 99 16.790 -6.529 -0.754 1.00 0.00 C ATOM 1530 CD LYS A 99 16.973 -7.488 0.424 1.00 0.00 C ATOM 1531 CE LYS A 99 17.293 -8.888 -0.104 1.00 0.00 C ATOM 1532 NZ LYS A 99 18.616 -9.230 0.487 1.00 0.00 N ATOM 0 H LYS A 99 13.244 -7.343 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 99 15.000 -4.985 -1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.249 -7.962 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.099 -7.320 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.724 -6.435 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.533 -5.534 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.778 -7.138 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.067 -7.514 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.530 -9.606 0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.333 -8.899 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.903 -10.178 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.324 -8.533 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.546 -9.218 1.525 1.00 0.00 H new ATOM 1546 N VAL A 100 13.937 -7.130 -3.875 1.00 0.00 N ATOM 1547 CA VAL A 100 13.388 -7.188 -5.262 1.00 0.00 C ATOM 1548 C VAL A 100 12.893 -8.604 -5.574 1.00 0.00 C ATOM 1549 O VAL A 100 13.607 -9.416 -6.129 1.00 0.00 O ATOM 1550 CB VAL A 100 14.554 -6.804 -6.177 1.00 0.00 C ATOM 1551 CG1 VAL A 100 14.271 -7.279 -7.603 1.00 0.00 C ATOM 1552 CG2 VAL A 100 14.714 -5.284 -6.180 1.00 0.00 C ATOM 0 H VAL A 100 14.201 -8.030 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 100 12.538 -6.519 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 100 15.467 -7.274 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.104 -7.003 -8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.150 -8.362 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 100 13.357 -6.810 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 100 15.543 -5.007 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.797 -4.822 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 100 14.916 -4.937 -5.167 1.00 0.00 H new ATOM 1562 N GLY A 101 11.674 -8.901 -5.221 1.00 0.00 N ATOM 1563 CA GLY A 101 11.124 -10.260 -5.495 1.00 0.00 C ATOM 1564 C GLY A 101 10.197 -10.679 -4.351 1.00 0.00 C ATOM 1565 O GLY A 101 10.155 -11.829 -3.963 1.00 0.00 O ATOM 0 H GLY A 101 11.032 -8.261 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.577 -10.259 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.937 -10.978 -5.599 1.00 0.00 H new ATOM 1569 N ASP A 102 9.456 -9.753 -3.808 1.00 0.00 N ATOM 1570 CA ASP A 102 8.533 -10.097 -2.688 1.00 0.00 C ATOM 1571 C ASP A 102 7.224 -9.312 -2.810 1.00 0.00 C ATOM 1572 O ASP A 102 6.165 -9.792 -2.459 1.00 0.00 O ATOM 1573 CB ASP A 102 9.280 -9.690 -1.417 1.00 0.00 C ATOM 1574 CG ASP A 102 9.683 -10.945 -0.642 1.00 0.00 C ATOM 1575 OD1 ASP A 102 10.655 -11.572 -1.031 1.00 0.00 O ATOM 1576 OD2 ASP A 102 9.013 -11.258 0.329 1.00 0.00 O ATOM 0 H ASP A 102 9.449 -8.773 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 102 8.269 -11.154 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.165 -9.107 -1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.647 -9.054 -0.798 1.00 0.00 H new ATOM 1581 N ILE A 103 7.289 -8.106 -3.296 1.00 0.00 N ATOM 1582 CA ILE A 103 6.050 -7.292 -3.428 1.00 0.00 C ATOM 1583 C ILE A 103 5.420 -7.083 -2.050 1.00 0.00 C ATOM 1584 O ILE A 103 4.283 -6.669 -1.931 1.00 0.00 O ATOM 1585 CB ILE A 103 5.122 -8.110 -4.329 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.900 -8.594 -5.558 1.00 0.00 C ATOM 1587 CG2 ILE A 103 3.950 -7.235 -4.777 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.921 -9.086 -6.631 1.00 0.00 C ATOM 0 H ILE A 103 8.146 -7.648 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 103 6.244 -6.305 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 103 4.743 -8.971 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.512 -7.784 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.580 -9.398 -5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.287 -7.815 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.398 -6.891 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.328 -6.375 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.479 -9.429 -7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.328 -9.909 -6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.259 -8.270 -6.922 1.00 0.00 H new ATOM 1600 N SER A 104 6.155 -7.360 -1.006 1.00 0.00 N ATOM 1601 CA SER A 104 5.604 -7.172 0.366 1.00 0.00 C ATOM 1602 C SER A 104 4.340 -8.011 0.548 1.00 0.00 C ATOM 1603 O SER A 104 3.254 -7.604 0.185 1.00 0.00 O ATOM 1604 CB SER A 104 5.284 -5.681 0.459 1.00 0.00 C ATOM 1605 OG SER A 104 4.981 -5.351 1.807 1.00 0.00 O ATOM 0 H SER A 104 7.113 -7.708 -1.045 1.00 0.00 H new ATOM 0 HA SER A 104 6.302 -7.487 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.132 -5.092 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.440 -5.437 -0.186 1.00 0.00 H new ATOM 0 HG SER A 104 5.270 -4.433 1.992 1.00 0.00 H new ATOM 1611 N ASP A 105 4.474 -9.182 1.106 1.00 0.00 N ATOM 1612 CA ASP A 105 3.279 -10.052 1.308 1.00 0.00 C ATOM 1613 C ASP A 105 2.095 -9.224 1.815 1.00 0.00 C ATOM 1614 O ASP A 105 1.208 -8.872 1.065 1.00 0.00 O ATOM 1615 CB ASP A 105 3.690 -11.106 2.349 1.00 0.00 C ATOM 1616 CG ASP A 105 4.678 -10.511 3.359 1.00 0.00 C ATOM 1617 OD1 ASP A 105 4.226 -9.856 4.284 1.00 0.00 O ATOM 1618 OD2 ASP A 105 5.868 -10.720 3.190 1.00 0.00 O ATOM 0 H ASP A 105 5.357 -9.575 1.431 1.00 0.00 H new ATOM 0 HA ASP A 105 2.964 -10.520 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 105 2.806 -11.474 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.144 -11.961 1.849 1.00 0.00 H new ATOM 1623 N ILE A 106 2.069 -8.920 3.082 1.00 0.00 N ATOM 1624 CA ILE A 106 0.933 -8.126 3.641 1.00 0.00 C ATOM 1625 C ILE A 106 1.473 -6.895 4.381 1.00 0.00 C ATOM 1626 O ILE A 106 2.459 -6.973 5.087 1.00 0.00 O ATOM 1627 CB ILE A 106 0.215 -9.073 4.619 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.391 -10.531 4.170 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.279 -8.741 4.650 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.504 -11.442 5.010 1.00 0.00 C ATOM 0 H ILE A 106 2.785 -9.186 3.758 1.00 0.00 H new ATOM 0 HA ILE A 106 0.259 -7.766 2.864 1.00 0.00 H new ATOM 0 HB ILE A 106 0.647 -8.945 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.137 -10.629 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.433 -10.831 4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.787 -9.412 5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.416 -7.710 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.700 -8.864 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.376 -12.475 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.230 -11.353 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.546 -11.148 4.881 1.00 0.00 H new ATOM 1642 N VAL A 107 0.845 -5.759 4.221 1.00 0.00 N ATOM 1643 CA VAL A 107 1.342 -4.532 4.915 1.00 0.00 C ATOM 1644 C VAL A 107 0.208 -3.820 5.658 1.00 0.00 C ATOM 1645 O VAL A 107 -0.321 -2.830 5.195 1.00 0.00 O ATOM 1646 CB VAL A 107 1.880 -3.638 3.801 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.549 -2.407 4.412 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.902 -4.417 2.970 1.00 0.00 C ATOM 0 H VAL A 107 0.015 -5.627 3.644 1.00 0.00 H new ATOM 0 HA VAL A 107 2.100 -4.774 5.660 1.00 0.00 H new ATOM 0 HB VAL A 107 1.057 -3.322 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.933 -1.769 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.820 -1.852 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.372 -2.721 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.286 -3.779 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.725 -4.735 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.423 -5.293 2.533 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.156 -4.301 6.814 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.239 -3.630 7.589 1.00 0.00 C ATOM 1660 C ASP A 108 -0.641 -2.462 8.378 1.00 0.00 C ATOM 1661 O ASP A 108 0.104 -2.658 9.317 1.00 0.00 O ATOM 1662 CB ASP A 108 -1.787 -4.705 8.530 1.00 0.00 C ATOM 1663 CG ASP A 108 -0.650 -5.291 9.372 1.00 0.00 C ATOM 1664 OD1 ASP A 108 0.433 -5.465 8.839 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -0.884 -5.559 10.540 1.00 0.00 O ATOM 0 H ASP A 108 0.248 -5.127 7.255 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.027 -3.225 6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.549 -4.276 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.268 -5.495 7.953 1.00 0.00 H new ATOM 1670 N THR A 109 -0.943 -1.245 8.001 1.00 0.00 N ATOM 1671 CA THR A 109 -0.363 -0.084 8.732 1.00 0.00 C ATOM 1672 C THR A 109 -1.379 1.053 8.802 1.00 0.00 C ATOM 1673 O THR A 109 -2.555 0.862 8.563 1.00 0.00 O ATOM 1674 CB THR A 109 0.850 0.338 7.898 1.00 0.00 C ATOM 1675 OG1 THR A 109 0.741 -0.217 6.593 1.00 0.00 O ATOM 1676 CG2 THR A 109 2.133 -0.164 8.560 1.00 0.00 C ATOM 0 H THR A 109 -1.561 -1.009 7.225 1.00 0.00 H new ATOM 0 HA THR A 109 -0.091 -0.334 9.757 1.00 0.00 H new ATOM 0 HB THR A 109 0.882 1.426 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.516 0.053 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.993 0.139 7.963 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.217 0.262 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.105 -1.251 8.630 1.00 0.00 H new ATOM 1684 N ASP A 110 -0.933 2.238 9.121 1.00 0.00 N ATOM 1685 CA ASP A 110 -1.875 3.389 9.195 1.00 0.00 C ATOM 1686 C ASP A 110 -2.827 3.342 8.001 1.00 0.00 C ATOM 1687 O ASP A 110 -2.568 2.674 7.020 1.00 0.00 O ATOM 1688 CB ASP A 110 -0.989 4.633 9.127 1.00 0.00 C ATOM 1689 CG ASP A 110 -0.146 4.589 7.851 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -0.322 3.659 7.081 1.00 0.00 O ATOM 1691 OD2 ASP A 110 0.661 5.484 7.666 1.00 0.00 O ATOM 0 H ASP A 110 0.040 2.457 9.333 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.483 3.379 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.605 5.532 9.138 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.341 4.680 10.002 1.00 0.00 H new ATOM 1696 N SER A 111 -3.926 4.036 8.071 1.00 0.00 N ATOM 1697 CA SER A 111 -4.888 4.018 6.932 1.00 0.00 C ATOM 1698 C SER A 111 -5.523 2.632 6.793 1.00 0.00 C ATOM 1699 O SER A 111 -6.728 2.485 6.840 1.00 0.00 O ATOM 1700 CB SER A 111 -4.052 4.349 5.696 1.00 0.00 C ATOM 1701 OG SER A 111 -3.086 5.337 6.033 1.00 0.00 O ATOM 0 H SER A 111 -4.201 4.614 8.865 1.00 0.00 H new ATOM 0 HA SER A 111 -5.703 4.728 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.557 3.451 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.695 4.711 4.894 1.00 0.00 H new ATOM 0 HG SER A 111 -2.547 5.550 5.243 1.00 0.00 H new ATOM 1707 N GLY A 112 -4.723 1.615 6.621 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.284 0.245 6.478 1.00 0.00 C ATOM 1709 C GLY A 112 -4.168 -0.717 6.075 1.00 0.00 C ATOM 1710 O GLY A 112 -3.061 -0.639 6.569 1.00 0.00 O ATOM 0 H GLY A 112 -3.706 1.675 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.735 -0.076 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.074 0.239 5.727 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.444 -1.622 5.177 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.387 -2.577 4.746 1.00 0.00 C ATOM 1716 C VAL A 113 -2.977 -2.278 3.305 1.00 0.00 C ATOM 1717 O VAL A 113 -3.806 -2.103 2.435 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.016 -3.967 4.859 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.684 -4.129 6.226 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.063 -4.142 3.761 1.00 0.00 C ATOM 0 H VAL A 113 -5.351 -1.741 4.726 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.488 -2.502 5.357 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.237 -4.721 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.129 -5.121 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.938 -4.008 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.461 -3.373 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.512 -5.132 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.837 -3.383 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.588 -4.036 2.785 1.00 0.00 H new ATOM 1730 N HIS A 114 -1.701 -2.201 3.051 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.236 -1.893 1.669 1.00 0.00 C ATOM 1732 C HIS A 114 -0.347 -3.022 1.139 1.00 0.00 C ATOM 1733 O HIS A 114 -0.217 -4.069 1.744 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.414 -0.597 1.786 1.00 0.00 C ATOM 1735 CG HIS A 114 -0.931 0.274 2.901 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -0.983 0.087 4.260 1.00 0.00 N flip ATOM 1737 CD2 HIS A 114 -1.463 1.533 2.672 1.00 0.00 C flip ATOM 1738 CE1 HIS A 114 -1.536 1.211 4.867 1.00 0.00 C flip ATOM 1739 NE2 HIS A 114 -1.806 2.051 3.866 1.00 0.00 N flip ATOM 0 H HIS A 114 -0.960 -2.338 3.739 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.075 -1.787 0.982 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.633 -0.842 1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.455 -0.050 0.844 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -0.665 -0.749 4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.581 2.011 1.711 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.709 1.369 5.921 1.00 0.00 H new ATOM 1747 N ILE A 115 0.278 -2.797 0.016 1.00 0.00 N ATOM 1748 CA ILE A 115 1.188 -3.822 -0.576 1.00 0.00 C ATOM 1749 C ILE A 115 2.299 -3.098 -1.336 1.00 0.00 C ATOM 1750 O ILE A 115 2.063 -2.478 -2.353 1.00 0.00 O ATOM 1751 CB ILE A 115 0.329 -4.653 -1.533 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.633 -3.738 -2.293 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.471 -5.685 -0.739 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -1.065 -4.419 -3.593 1.00 0.00 C ATOM 0 H ILE A 115 0.197 -1.936 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 115 1.648 -4.462 0.177 1.00 0.00 H new ATOM 0 HB ILE A 115 0.978 -5.164 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.505 -3.518 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.150 -2.786 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.082 -6.276 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.214 -6.343 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.116 -5.174 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.750 -3.767 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.188 -4.616 -4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.565 -5.360 -3.362 1.00 0.00 H new ATOM 1766 N ILE A 116 3.501 -3.141 -0.833 1.00 0.00 N ATOM 1767 CA ILE A 116 4.618 -2.419 -1.508 1.00 0.00 C ATOM 1768 C ILE A 116 5.439 -3.346 -2.403 1.00 0.00 C ATOM 1769 O ILE A 116 5.535 -4.535 -2.177 1.00 0.00 O ATOM 1770 CB ILE A 116 5.486 -1.902 -0.366 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.779 -0.737 0.324 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.839 -1.435 -0.909 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.567 -1.082 1.797 1.00 0.00 C ATOM 0 H ILE A 116 3.759 -3.644 0.016 1.00 0.00 H new ATOM 0 HA ILE A 116 4.241 -1.628 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 116 5.649 -2.705 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.374 0.171 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.821 -0.540 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.453 -1.067 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.344 -2.270 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.684 -0.635 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.063 -0.254 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.955 -1.980 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.532 -1.258 2.272 1.00 0.00 H new ATOM 1785 N LYS A 117 6.053 -2.784 -3.404 1.00 0.00 N ATOM 1786 CA LYS A 117 6.905 -3.579 -4.329 1.00 0.00 C ATOM 1787 C LYS A 117 7.935 -2.643 -4.967 1.00 0.00 C ATOM 1788 O LYS A 117 7.591 -1.636 -5.556 1.00 0.00 O ATOM 1789 CB LYS A 117 5.959 -4.164 -5.387 1.00 0.00 C ATOM 1790 CG LYS A 117 4.859 -3.156 -5.736 1.00 0.00 C ATOM 1791 CD LYS A 117 4.822 -2.944 -7.251 1.00 0.00 C ATOM 1792 CE LYS A 117 4.493 -4.267 -7.945 1.00 0.00 C ATOM 1793 NZ LYS A 117 5.703 -4.589 -8.752 1.00 0.00 N ATOM 0 H LYS A 117 5.999 -1.789 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 117 7.445 -4.379 -3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.522 -4.423 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.512 -5.086 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.893 -3.520 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 117 5.045 -2.209 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.075 -2.192 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.784 -2.568 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.282 -5.052 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.610 -4.172 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 5.877 -5.614 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.553 -4.291 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.525 -4.087 -8.360 1.00 0.00 H new ATOM 1807 N ARG A 118 9.197 -2.947 -4.833 1.00 0.00 N ATOM 1808 CA ARG A 118 10.238 -2.053 -5.414 1.00 0.00 C ATOM 1809 C ARG A 118 10.494 -2.406 -6.883 1.00 0.00 C ATOM 1810 O ARG A 118 9.778 -1.977 -7.766 1.00 0.00 O ATOM 1811 CB ARG A 118 11.488 -2.298 -4.569 1.00 0.00 C ATOM 1812 CG ARG A 118 12.658 -1.502 -5.152 1.00 0.00 C ATOM 1813 CD ARG A 118 13.082 -0.412 -4.164 1.00 0.00 C ATOM 1814 NE ARG A 118 14.568 -0.377 -4.250 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.208 0.745 -4.065 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.856 1.547 -3.097 1.00 0.00 N ATOM 1817 NH2 ARG A 118 16.203 1.063 -4.846 1.00 0.00 N ATOM 0 H ARG A 118 9.551 -3.772 -4.349 1.00 0.00 H new ATOM 0 HA ARG A 118 9.935 -1.006 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.308 -1.998 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.728 -3.361 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.497 -2.167 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.368 -1.053 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.648 0.552 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.750 -0.644 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 118 15.087 -1.231 -4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.080 1.297 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.357 2.424 -2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.480 0.435 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.704 1.940 -4.702 1.00 0.00 H new ATOM 1831 N THR A 119 11.511 -3.179 -7.156 1.00 0.00 N ATOM 1832 CA THR A 119 11.807 -3.547 -8.568 1.00 0.00 C ATOM 1833 C THR A 119 11.283 -4.959 -8.867 1.00 0.00 C ATOM 1834 O THR A 119 10.093 -5.205 -8.820 1.00 0.00 O ATOM 1835 CB THR A 119 13.332 -3.482 -8.673 1.00 0.00 C ATOM 1836 OG1 THR A 119 13.795 -2.268 -8.097 1.00 0.00 O ATOM 1837 CG2 THR A 119 13.746 -3.545 -10.144 1.00 0.00 C ATOM 0 H THR A 119 12.148 -3.570 -6.462 1.00 0.00 H new ATOM 0 HA THR A 119 11.327 -2.885 -9.288 1.00 0.00 H new ATOM 0 HB THR A 119 13.770 -4.325 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.772 -2.227 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 119 14.832 -3.499 -10.219 1.00 0.00 H new ATOM 0 HG22 THR A 119 13.392 -4.478 -10.582 1.00 0.00 H new ATOM 0 HG23 THR A 119 13.309 -2.703 -10.681 1.00 0.00 H new ATOM 1845 N ALA A 120 12.150 -5.890 -9.171 1.00 0.00 N ATOM 1846 CA ALA A 120 11.682 -7.275 -9.465 1.00 0.00 C ATOM 1847 C ALA A 120 10.868 -7.297 -10.762 1.00 0.00 C ATOM 1848 O ALA A 120 10.478 -8.377 -11.176 1.00 0.00 O ATOM 1849 CB ALA A 120 10.806 -7.660 -8.271 1.00 0.00 C ATOM 1850 OXT ALA A 120 10.650 -6.234 -11.320 1.00 0.00 O ATOM 0 H ALA A 120 13.159 -5.751 -9.228 1.00 0.00 H new ATOM 0 HA ALA A 120 12.511 -7.970 -9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.422 -8.670 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.399 -7.622 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.972 -6.963 -8.192 1.00 0.00 H new TER 1856 ALA A 120