USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=28 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 86 GLN : amide:sc= -0.557 K(o=-6.1,f=-11!) USER MOD Set 1.2: A 87 MET CE :methyl -161:sc= -5.54! (180deg=-6.45!) USER MOD Set 2.1: A 12 HIS : no HD1:sc= -1.3! C(o=-1.4!,f=-3.9!) USER MOD Set 2.2: A 72 SER OG : rot 180:sc= -0.106 USER MOD Single : A 1 HIS : no HD1:sc= -0.74 X(o=-0.74,f=-0.6) USER MOD Single : A 1 HIS N :NH3+ -149:sc= 0.0277 (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= -0.409 USER MOD Single : A 7 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.66) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-6.2!) USER MOD Single : A 18 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= -0.243 USER MOD Single : A 23 LYS NZ :NH3+ -120:sc= -1.05 (180deg=-1.86!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 143:sc= -0.717 (180deg=-2.06!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -96:sc= -3.44! USER MOD Single : A 45 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.031) USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0.63) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.163 USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0233) USER MOD Single : A 59 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.045) USER MOD Single : A 65 THR OG1 : rot -83:sc= -0.956 USER MOD Single : A 68 SER OG : rot -86:sc= -3.14! USER MOD Single : A 70 CYS SG : rot 83:sc= 1.15 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 81 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00183 K(o=-0.0018,f=-1.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 121:sc= -0.389! USER MOD Single : A 96 TYR OH : rot 30:sc= -0.025 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 95:sc= 0.597 USER MOD Single : A 109 THR OG1 : rot 50:sc= -4.3! USER MOD Single : A 111 SER OG : rot -110:sc= -0.629 USER MOD Single : A 114 HIS : no HE2:sc= -15.4! C(o=-15!,f=-20!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= -2.03 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 30.321 15.892 2.232 1.00 0.00 N ATOM 2 CA HIS A 1 31.553 15.063 2.100 1.00 0.00 C ATOM 3 C HIS A 1 31.182 13.588 1.926 1.00 0.00 C ATOM 4 O HIS A 1 30.117 13.258 1.441 1.00 0.00 O ATOM 5 CB HIS A 1 32.312 15.272 3.410 1.00 0.00 C ATOM 6 CG HIS A 1 33.792 15.203 3.149 1.00 0.00 C ATOM 7 ND1 HIS A 1 34.694 14.791 4.117 1.00 0.00 N ATOM 8 CD2 HIS A 1 34.543 15.488 2.034 1.00 0.00 C ATOM 9 CE1 HIS A 1 35.924 14.840 3.572 1.00 0.00 C ATOM 10 NE2 HIS A 1 35.889 15.258 2.304 1.00 0.00 N ATOM 0 H1 HIS A 1 30.495 16.838 1.836 1.00 0.00 H new ATOM 0 H2 HIS A 1 29.540 15.439 1.715 1.00 0.00 H new ATOM 0 H3 HIS A 1 30.067 15.979 3.237 1.00 0.00 H new ATOM 0 HA HIS A 1 32.150 15.345 1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 1 32.053 16.238 3.843 1.00 0.00 H new ATOM 0 HB3 HIS A 1 32.024 14.511 4.135 1.00 0.00 H new ATOM 0 HD2 HIS A 1 34.149 15.837 1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 1 36.830 14.574 4.097 1.00 0.00 H new ATOM 0 HE2 HIS A 1 36.678 15.382 1.670 1.00 0.00 H new ATOM 18 N MET A 2 32.052 12.698 2.318 1.00 0.00 N ATOM 19 CA MET A 2 31.747 11.247 2.176 1.00 0.00 C ATOM 20 C MET A 2 30.893 10.768 3.352 1.00 0.00 C ATOM 21 O MET A 2 31.193 11.033 4.499 1.00 0.00 O ATOM 22 CB MET A 2 33.109 10.552 2.187 1.00 0.00 C ATOM 23 CG MET A 2 32.961 9.132 1.636 1.00 0.00 C ATOM 24 SD MET A 2 34.284 8.089 2.297 1.00 0.00 S ATOM 25 CE MET A 2 33.256 7.100 3.410 1.00 0.00 C ATOM 0 H MET A 2 32.960 12.913 2.730 1.00 0.00 H new ATOM 0 HA MET A 2 31.186 11.031 1.267 1.00 0.00 H new ATOM 0 HB2 MET A 2 33.822 11.115 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 2 33.505 10.520 3.202 1.00 0.00 H new ATOM 0 HG2 MET A 2 31.989 8.723 1.911 1.00 0.00 H new ATOM 0 HG3 MET A 2 33.004 9.146 0.547 1.00 0.00 H new ATOM 0 HE1 MET A 2 33.879 6.375 3.933 1.00 0.00 H new ATOM 0 HE2 MET A 2 32.773 7.754 4.136 1.00 0.00 H new ATOM 0 HE3 MET A 2 32.495 6.575 2.832 1.00 0.00 H new ATOM 35 N ALA A 3 29.830 10.065 3.075 1.00 0.00 N ATOM 36 CA ALA A 3 28.955 9.569 4.175 1.00 0.00 C ATOM 37 C ALA A 3 27.782 8.772 3.596 1.00 0.00 C ATOM 38 O ALA A 3 27.428 7.720 4.090 1.00 0.00 O ATOM 39 CB ALA A 3 28.451 10.829 4.880 1.00 0.00 C ATOM 0 H ALA A 3 29.529 9.812 2.134 1.00 0.00 H new ATOM 0 HA ALA A 3 29.485 8.905 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 3 27.797 10.547 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 3 29.299 11.394 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 3 27.896 11.445 4.172 1.00 0.00 H new ATOM 45 N SER A 4 27.176 9.267 2.551 1.00 0.00 N ATOM 46 CA SER A 4 26.027 8.539 1.941 1.00 0.00 C ATOM 47 C SER A 4 24.914 8.353 2.974 1.00 0.00 C ATOM 48 O SER A 4 25.117 8.536 4.158 1.00 0.00 O ATOM 49 CB SER A 4 26.594 7.183 1.522 1.00 0.00 C ATOM 50 OG SER A 4 27.989 7.311 1.280 1.00 0.00 O ATOM 0 H SER A 4 27.427 10.144 2.094 1.00 0.00 H new ATOM 0 HA SER A 4 25.596 9.080 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 4 26.415 6.444 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 4 26.089 6.826 0.624 1.00 0.00 H new ATOM 0 HG SER A 4 28.356 6.442 1.013 1.00 0.00 H new ATOM 56 N ARG A 5 23.741 7.987 2.537 1.00 0.00 N ATOM 57 CA ARG A 5 22.619 7.786 3.498 1.00 0.00 C ATOM 58 C ARG A 5 21.871 6.493 3.166 1.00 0.00 C ATOM 59 O ARG A 5 22.440 5.549 2.654 1.00 0.00 O ATOM 60 CB ARG A 5 21.709 8.999 3.306 1.00 0.00 C ATOM 61 CG ARG A 5 21.140 8.993 1.886 1.00 0.00 C ATOM 62 CD ARG A 5 22.053 9.807 0.966 1.00 0.00 C ATOM 63 NE ARG A 5 21.267 11.024 0.621 1.00 0.00 N ATOM 64 CZ ARG A 5 20.749 11.757 1.569 1.00 0.00 C ATOM 65 NH1 ARG A 5 21.469 12.083 2.607 1.00 0.00 N ATOM 66 NH2 ARG A 5 19.512 12.161 1.479 1.00 0.00 N ATOM 0 H ARG A 5 23.510 7.818 1.558 1.00 0.00 H new ATOM 0 HA ARG A 5 22.965 7.699 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 5 20.898 8.977 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 5 22.269 9.918 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 5 21.057 7.969 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 5 20.135 9.415 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 5 22.986 10.068 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 5 22.318 9.242 0.072 1.00 0.00 H new ATOM 0 HE ARG A 5 21.133 11.285 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 5 22.436 11.765 2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 5 21.065 12.656 3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.949 11.904 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.107 12.734 2.220 1.00 0.00 H new ATOM 80 N ASP A 6 20.600 6.443 3.450 1.00 0.00 N ATOM 81 CA ASP A 6 19.821 5.211 3.145 1.00 0.00 C ATOM 82 C ASP A 6 18.427 5.578 2.637 1.00 0.00 C ATOM 83 O ASP A 6 18.112 5.398 1.477 1.00 0.00 O ATOM 84 CB ASP A 6 19.729 4.455 4.472 1.00 0.00 C ATOM 85 CG ASP A 6 19.240 3.029 4.212 1.00 0.00 C ATOM 86 OD1 ASP A 6 19.908 2.318 3.479 1.00 0.00 O ATOM 87 OD2 ASP A 6 18.205 2.671 4.750 1.00 0.00 O ATOM 0 H ASP A 6 20.068 7.200 3.879 1.00 0.00 H new ATOM 0 HA ASP A 6 20.293 4.609 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.704 4.434 4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.045 4.968 5.149 1.00 0.00 H new ATOM 92 N GLN A 7 17.590 6.086 3.495 1.00 0.00 N ATOM 93 CA GLN A 7 16.214 6.457 3.060 1.00 0.00 C ATOM 94 C GLN A 7 15.541 5.248 2.409 1.00 0.00 C ATOM 95 O GLN A 7 16.182 4.262 2.107 1.00 0.00 O ATOM 96 CB GLN A 7 16.411 7.578 2.041 1.00 0.00 C ATOM 97 CG GLN A 7 15.205 8.518 2.074 1.00 0.00 C ATOM 98 CD GLN A 7 15.366 9.588 0.994 1.00 0.00 C ATOM 99 OE1 GLN A 7 15.461 9.277 -0.176 1.00 0.00 O ATOM 100 NE2 GLN A 7 15.403 10.845 1.339 1.00 0.00 N ATOM 0 H GLN A 7 17.797 6.261 4.478 1.00 0.00 H new ATOM 0 HA GLN A 7 15.580 6.773 3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.323 8.132 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.531 7.158 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.286 7.955 1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.121 8.985 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.323 11.107 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.512 11.566 0.626 1.00 0.00 H new ATOM 109 N VAL A 8 14.256 5.303 2.194 1.00 0.00 N ATOM 110 CA VAL A 8 13.572 4.135 1.567 1.00 0.00 C ATOM 111 C VAL A 8 12.523 4.592 0.547 1.00 0.00 C ATOM 112 O VAL A 8 11.423 4.963 0.899 1.00 0.00 O ATOM 113 CB VAL A 8 12.910 3.391 2.733 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.272 4.395 3.696 1.00 0.00 C ATOM 115 CG2 VAL A 8 11.828 2.451 2.198 1.00 0.00 C ATOM 0 H VAL A 8 13.655 6.095 2.422 1.00 0.00 H new ATOM 0 HA VAL A 8 14.270 3.502 1.020 1.00 0.00 H new ATOM 0 HB VAL A 8 13.669 2.813 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.804 3.860 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.040 5.064 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.518 4.978 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.360 1.924 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.074 3.030 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.278 1.728 1.518 1.00 0.00 H new ATOM 125 N LYS A 9 12.850 4.545 -0.719 1.00 0.00 N ATOM 126 CA LYS A 9 11.861 4.951 -1.759 1.00 0.00 C ATOM 127 C LYS A 9 10.908 3.787 -2.024 1.00 0.00 C ATOM 128 O LYS A 9 11.146 2.679 -1.587 1.00 0.00 O ATOM 129 CB LYS A 9 12.681 5.263 -3.010 1.00 0.00 C ATOM 130 CG LYS A 9 13.438 6.583 -2.808 1.00 0.00 C ATOM 131 CD LYS A 9 13.485 7.430 -4.101 1.00 0.00 C ATOM 132 CE LYS A 9 13.201 6.588 -5.353 1.00 0.00 C ATOM 133 NZ LYS A 9 14.078 7.165 -6.412 1.00 0.00 N ATOM 0 H LYS A 9 13.757 4.244 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 9 11.265 5.811 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.385 4.454 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.026 5.336 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.958 7.158 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.455 6.371 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.754 8.236 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.466 7.896 -4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.429 5.536 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.150 6.644 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.940 6.641 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.834 8.165 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.073 7.091 -6.117 1.00 0.00 H new ATOM 147 N ALA A 10 9.832 4.007 -2.731 1.00 0.00 N ATOM 148 CA ALA A 10 8.900 2.867 -2.991 1.00 0.00 C ATOM 149 C ALA A 10 7.586 3.323 -3.623 1.00 0.00 C ATOM 150 O ALA A 10 7.292 4.497 -3.729 1.00 0.00 O ATOM 151 CB ALA A 10 8.606 2.270 -1.611 1.00 0.00 C ATOM 0 H ALA A 10 9.560 4.904 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 10 9.351 2.160 -3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.926 1.425 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.537 1.932 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.146 3.028 -0.977 1.00 0.00 H new ATOM 157 N SER A 11 6.782 2.369 -4.002 1.00 0.00 N ATOM 158 CA SER A 11 5.450 2.666 -4.590 1.00 0.00 C ATOM 159 C SER A 11 4.428 1.820 -3.837 1.00 0.00 C ATOM 160 O SER A 11 4.798 1.072 -2.953 1.00 0.00 O ATOM 161 CB SER A 11 5.546 2.249 -6.058 1.00 0.00 C ATOM 162 OG SER A 11 5.487 0.832 -6.150 1.00 0.00 O ATOM 0 H SER A 11 6.999 1.375 -3.926 1.00 0.00 H new ATOM 0 HA SER A 11 5.155 3.713 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.732 2.696 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.477 2.614 -6.491 1.00 0.00 H new ATOM 0 HG SER A 11 5.547 0.562 -7.090 1.00 0.00 H new ATOM 168 N HIS A 12 3.160 1.905 -4.137 1.00 0.00 N ATOM 169 CA HIS A 12 2.216 1.053 -3.346 1.00 0.00 C ATOM 170 C HIS A 12 0.776 1.100 -3.872 1.00 0.00 C ATOM 171 O HIS A 12 0.469 1.746 -4.855 1.00 0.00 O ATOM 172 CB HIS A 12 2.278 1.633 -1.930 1.00 0.00 C ATOM 173 CG HIS A 12 1.480 2.907 -1.864 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.264 3.703 -2.977 1.00 0.00 N ATOM 175 CD2 HIS A 12 0.838 3.534 -0.824 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.522 4.755 -2.586 1.00 0.00 C ATOM 177 NE2 HIS A 12 0.234 4.701 -1.282 1.00 0.00 N ATOM 0 H HIS A 12 2.748 2.496 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 12 2.504 0.003 -3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.886 0.911 -1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.314 1.827 -1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.807 3.176 0.194 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.199 5.547 -3.246 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.311 5.371 -0.739 1.00 0.00 H new ATOM 185 N ILE A 13 -0.105 0.408 -3.190 1.00 0.00 N ATOM 186 CA ILE A 13 -1.547 0.376 -3.584 1.00 0.00 C ATOM 187 C ILE A 13 -2.400 0.151 -2.326 1.00 0.00 C ATOM 188 O ILE A 13 -1.880 -0.087 -1.255 1.00 0.00 O ATOM 189 CB ILE A 13 -1.671 -0.809 -4.558 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.426 -0.310 -5.986 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.071 -1.435 -4.473 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.913 -1.356 -6.994 1.00 0.00 C ATOM 0 H ILE A 13 0.120 -0.145 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.887 1.302 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.933 -1.565 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.949 0.633 -6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.364 -0.115 -6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.139 -2.271 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.249 -1.792 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.820 -0.687 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.736 -0.995 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.370 -2.289 -6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.980 -1.529 -6.852 1.00 0.00 H new ATOM 204 N LEU A 14 -3.701 0.213 -2.441 1.00 0.00 N ATOM 205 CA LEU A 14 -4.552 -0.010 -1.234 1.00 0.00 C ATOM 206 C LEU A 14 -5.862 -0.709 -1.597 1.00 0.00 C ATOM 207 O LEU A 14 -6.479 -0.418 -2.599 1.00 0.00 O ATOM 208 CB LEU A 14 -4.853 1.376 -0.676 1.00 0.00 C ATOM 209 CG LEU A 14 -5.765 1.228 0.542 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.930 1.345 1.817 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.845 2.316 0.511 1.00 0.00 C ATOM 0 H LEU A 14 -4.206 0.406 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.038 -0.647 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.928 1.879 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.334 1.992 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.250 0.252 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.578 1.240 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.174 0.560 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.442 2.319 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.494 2.209 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.373 3.298 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.437 2.215 -0.399 1.00 0.00 H new ATOM 223 N ILE A 15 -6.301 -1.613 -0.767 1.00 0.00 N ATOM 224 CA ILE A 15 -7.584 -2.319 -1.041 1.00 0.00 C ATOM 225 C ILE A 15 -8.679 -1.761 -0.122 1.00 0.00 C ATOM 226 O ILE A 15 -8.411 -0.994 0.781 1.00 0.00 O ATOM 227 CB ILE A 15 -7.294 -3.795 -0.737 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.753 -4.471 -1.999 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.576 -4.507 -0.291 1.00 0.00 C ATOM 230 CD1 ILE A 15 -6.736 -5.988 -1.801 1.00 0.00 C ATOM 0 H ILE A 15 -5.826 -1.894 0.091 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.935 -2.189 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.558 -3.856 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.374 -4.213 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.747 -4.111 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.356 -5.553 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.964 -4.028 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.321 -4.447 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.351 -6.468 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.097 -6.237 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.749 -6.341 -1.607 1.00 0.00 H new ATOM 242 N LYS A 16 -9.908 -2.139 -0.344 1.00 0.00 N ATOM 243 CA LYS A 16 -11.010 -1.626 0.521 1.00 0.00 C ATOM 244 C LYS A 16 -11.340 -2.640 1.620 1.00 0.00 C ATOM 245 O LYS A 16 -11.438 -3.827 1.376 1.00 0.00 O ATOM 246 CB LYS A 16 -12.204 -1.442 -0.417 1.00 0.00 C ATOM 247 CG LYS A 16 -11.851 -0.421 -1.500 1.00 0.00 C ATOM 248 CD LYS A 16 -12.985 -0.349 -2.525 1.00 0.00 C ATOM 249 CE LYS A 16 -12.540 -1.024 -3.824 1.00 0.00 C ATOM 250 NZ LYS A 16 -13.792 -1.205 -4.609 1.00 0.00 N ATOM 0 H LYS A 16 -10.197 -2.779 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.740 -0.696 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.471 -2.395 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.074 -1.104 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.690 0.559 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.920 -0.704 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.876 -0.841 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.252 0.690 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.821 -0.408 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.055 -1.980 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.570 -1.663 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.455 -1.801 -4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.227 -0.277 -4.787 1.00 0.00 H new ATOM 264 N HIS A 17 -11.512 -2.178 2.828 1.00 0.00 N ATOM 265 CA HIS A 17 -11.837 -3.107 3.949 1.00 0.00 C ATOM 266 C HIS A 17 -12.200 -2.306 5.203 1.00 0.00 C ATOM 267 O HIS A 17 -12.488 -1.128 5.134 1.00 0.00 O ATOM 268 CB HIS A 17 -10.565 -3.922 4.175 1.00 0.00 C ATOM 269 CG HIS A 17 -9.526 -3.088 4.859 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.558 -1.703 4.866 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.415 -3.445 5.570 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.489 -1.280 5.566 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.757 -2.304 6.018 1.00 0.00 N ATOM 0 H HIS A 17 -11.441 -1.194 3.088 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.689 -3.748 3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.791 -4.801 4.779 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -10.181 -4.282 3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.096 -4.460 5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.251 -0.241 5.741 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.901 -2.258 6.571 1.00 0.00 H new ATOM 281 N GLN A 18 -12.190 -2.933 6.347 1.00 0.00 N ATOM 282 CA GLN A 18 -12.536 -2.200 7.598 1.00 0.00 C ATOM 283 C GLN A 18 -11.584 -1.017 7.800 1.00 0.00 C ATOM 284 O GLN A 18 -11.847 0.084 7.360 1.00 0.00 O ATOM 285 CB GLN A 18 -12.365 -3.223 8.723 1.00 0.00 C ATOM 286 CG GLN A 18 -13.720 -3.853 9.056 1.00 0.00 C ATOM 287 CD GLN A 18 -14.407 -3.043 10.156 1.00 0.00 C ATOM 288 OE1 GLN A 18 -14.158 -1.863 10.305 1.00 0.00 O ATOM 289 NE2 GLN A 18 -15.269 -3.631 10.940 1.00 0.00 N ATOM 0 H GLN A 18 -11.958 -3.919 6.470 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.547 -1.794 7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.658 -3.996 8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.950 -2.740 9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.348 -3.881 8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.583 -4.884 9.382 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.479 -4.621 10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.733 -3.100 11.677 1.00 0.00 H new ATOM 298 N GLY A 19 -10.483 -1.236 8.465 1.00 0.00 N ATOM 299 CA GLY A 19 -9.521 -0.123 8.697 1.00 0.00 C ATOM 300 C GLY A 19 -10.161 0.911 9.624 1.00 0.00 C ATOM 301 O GLY A 19 -10.898 1.773 9.190 1.00 0.00 O ATOM 0 H GLY A 19 -10.209 -2.137 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.602 -0.507 9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.248 0.341 7.749 1.00 0.00 H new ATOM 305 N SER A 20 -9.894 0.829 10.897 1.00 0.00 N ATOM 306 CA SER A 20 -10.499 1.808 11.843 1.00 0.00 C ATOM 307 C SER A 20 -11.999 1.937 11.565 1.00 0.00 C ATOM 308 O SER A 20 -12.602 1.073 10.959 1.00 0.00 O ATOM 309 CB SER A 20 -9.783 3.128 11.561 1.00 0.00 C ATOM 310 OG SER A 20 -8.576 2.868 10.857 1.00 0.00 O ATOM 0 H SER A 20 -9.286 0.130 11.323 1.00 0.00 H new ATOM 0 HA SER A 20 -10.390 1.505 12.884 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.425 3.785 10.974 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.568 3.645 12.496 1.00 0.00 H new ATOM 0 HG SER A 20 -8.116 3.713 10.673 1.00 0.00 H new ATOM 316 N ARG A 21 -12.606 3.008 11.995 1.00 0.00 N ATOM 317 CA ARG A 21 -14.066 3.183 11.745 1.00 0.00 C ATOM 318 C ARG A 21 -14.287 4.086 10.528 1.00 0.00 C ATOM 319 O ARG A 21 -15.375 4.574 10.292 1.00 0.00 O ATOM 320 CB ARG A 21 -14.613 3.839 13.013 1.00 0.00 C ATOM 321 CG ARG A 21 -14.028 5.244 13.159 1.00 0.00 C ATOM 322 CD ARG A 21 -13.735 5.522 14.634 1.00 0.00 C ATOM 323 NE ARG A 21 -14.394 6.826 14.917 1.00 0.00 N ATOM 324 CZ ARG A 21 -13.676 7.910 15.020 1.00 0.00 C ATOM 325 NH1 ARG A 21 -13.089 8.199 16.148 1.00 0.00 N ATOM 326 NH2 ARG A 21 -13.545 8.705 13.994 1.00 0.00 N ATOM 0 H ARG A 21 -12.157 3.768 12.507 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.566 2.238 11.533 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.701 3.890 12.967 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.359 3.236 13.885 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.113 5.332 12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.728 5.984 12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.133 4.732 15.271 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.662 5.573 14.821 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.407 6.872 15.030 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.191 7.577 16.950 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.528 9.047 16.228 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.004 8.479 13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.984 9.553 14.074 1.00 0.00 H new ATOM 340 N ARG A 22 -13.261 4.308 9.751 1.00 0.00 N ATOM 341 CA ARG A 22 -13.405 5.174 8.544 1.00 0.00 C ATOM 342 C ARG A 22 -12.803 4.470 7.323 1.00 0.00 C ATOM 343 O ARG A 22 -12.234 3.401 7.433 1.00 0.00 O ATOM 344 CB ARG A 22 -12.624 6.448 8.872 1.00 0.00 C ATOM 345 CG ARG A 22 -11.235 6.076 9.394 1.00 0.00 C ATOM 346 CD ARG A 22 -10.243 7.189 9.047 1.00 0.00 C ATOM 347 NE ARG A 22 -10.774 8.405 9.725 1.00 0.00 N ATOM 348 CZ ARG A 22 -10.525 9.589 9.235 1.00 0.00 C ATOM 349 NH1 ARG A 22 -11.227 10.042 8.232 1.00 0.00 N ATOM 350 NH2 ARG A 22 -9.571 10.319 9.745 1.00 0.00 N ATOM 0 H ARG A 22 -12.327 3.926 9.900 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.447 5.390 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.535 7.071 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.160 7.033 9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.268 5.928 10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.910 5.134 8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.240 6.947 9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.176 7.336 7.969 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.333 8.312 10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.971 9.471 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.032 10.967 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.020 9.964 10.527 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.377 11.244 9.362 1.00 0.00 H new ATOM 364 N LYS A 23 -12.923 5.051 6.159 1.00 0.00 N ATOM 365 CA LYS A 23 -12.356 4.395 4.944 1.00 0.00 C ATOM 366 C LYS A 23 -11.855 5.441 3.941 1.00 0.00 C ATOM 367 O LYS A 23 -10.667 5.591 3.732 1.00 0.00 O ATOM 368 CB LYS A 23 -13.515 3.593 4.351 1.00 0.00 C ATOM 369 CG LYS A 23 -12.963 2.414 3.548 1.00 0.00 C ATOM 370 CD LYS A 23 -13.809 2.211 2.290 1.00 0.00 C ATOM 371 CE LYS A 23 -13.430 0.885 1.627 1.00 0.00 C ATOM 372 NZ LYS A 23 -14.712 0.333 1.110 1.00 0.00 N ATOM 0 H LYS A 23 -13.386 5.945 5.997 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.500 3.765 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.166 3.231 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.122 4.231 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.925 2.601 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.974 1.509 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.868 2.211 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.650 3.036 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.712 1.038 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.967 0.205 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.896 -0.590 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.488 0.986 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.649 0.217 0.078 1.00 0.00 H new ATOM 386 N ALA A 24 -12.746 6.162 3.313 1.00 0.00 N ATOM 387 CA ALA A 24 -12.308 7.187 2.321 1.00 0.00 C ATOM 388 C ALA A 24 -13.304 8.350 2.277 1.00 0.00 C ATOM 389 O ALA A 24 -14.440 8.223 2.688 1.00 0.00 O ATOM 390 CB ALA A 24 -12.286 6.451 0.980 1.00 0.00 C ATOM 0 H ALA A 24 -13.755 6.086 3.443 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.337 7.614 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.973 7.137 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.586 5.617 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.284 6.073 0.756 1.00 0.00 H new ATOM 396 N SER A 25 -12.886 9.484 1.780 1.00 0.00 N ATOM 397 CA SER A 25 -13.810 10.653 1.709 1.00 0.00 C ATOM 398 C SER A 25 -13.955 11.130 0.261 1.00 0.00 C ATOM 399 O SER A 25 -13.076 11.769 -0.283 1.00 0.00 O ATOM 400 CB SER A 25 -13.150 11.735 2.564 1.00 0.00 C ATOM 401 OG SER A 25 -12.314 11.123 3.537 1.00 0.00 O ATOM 0 H SER A 25 -11.946 9.651 1.421 1.00 0.00 H new ATOM 0 HA SER A 25 -14.811 10.406 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.564 12.405 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.912 12.342 3.053 1.00 0.00 H new ATOM 0 HG SER A 25 -11.889 11.815 4.085 1.00 0.00 H new ATOM 407 N TRP A 26 -15.060 10.829 -0.365 1.00 0.00 N ATOM 408 CA TRP A 26 -15.263 11.271 -1.774 1.00 0.00 C ATOM 409 C TRP A 26 -16.584 12.034 -1.899 1.00 0.00 C ATOM 410 O TRP A 26 -17.497 11.841 -1.121 1.00 0.00 O ATOM 411 CB TRP A 26 -15.307 9.981 -2.595 1.00 0.00 C ATOM 412 CG TRP A 26 -14.015 9.814 -3.330 1.00 0.00 C ATOM 413 CD1 TRP A 26 -12.920 9.185 -2.844 1.00 0.00 C ATOM 414 CD2 TRP A 26 -13.664 10.271 -4.669 1.00 0.00 C ATOM 415 NE1 TRP A 26 -11.920 9.226 -3.799 1.00 0.00 N ATOM 416 CE2 TRP A 26 -12.330 9.884 -4.941 1.00 0.00 C ATOM 417 CE3 TRP A 26 -14.365 10.975 -5.665 1.00 0.00 C ATOM 418 CZ2 TRP A 26 -11.714 10.186 -6.157 1.00 0.00 C ATOM 419 CZ3 TRP A 26 -13.748 11.280 -6.889 1.00 0.00 C ATOM 420 CH2 TRP A 26 -12.425 10.887 -7.134 1.00 0.00 C ATOM 0 H TRP A 26 -15.831 10.296 0.038 1.00 0.00 H new ATOM 0 HA TRP A 26 -14.474 11.941 -2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -15.479 9.126 -1.941 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -16.137 10.014 -3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -12.840 8.726 -1.870 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -10.993 8.820 -3.674 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -15.385 11.283 -5.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -10.695 9.880 -6.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.296 11.821 -7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -11.956 11.126 -8.077 1.00 0.00 H new ATOM 431 N LYS A 27 -16.691 12.900 -2.867 1.00 0.00 N ATOM 432 CA LYS A 27 -17.953 13.676 -3.036 1.00 0.00 C ATOM 433 C LYS A 27 -18.879 12.975 -4.034 1.00 0.00 C ATOM 434 O LYS A 27 -18.855 13.251 -5.217 1.00 0.00 O ATOM 435 CB LYS A 27 -17.509 15.035 -3.578 1.00 0.00 C ATOM 436 CG LYS A 27 -16.805 14.841 -4.922 1.00 0.00 C ATOM 437 CD LYS A 27 -15.403 15.449 -4.859 1.00 0.00 C ATOM 438 CE LYS A 27 -15.513 16.966 -4.686 1.00 0.00 C ATOM 439 NZ LYS A 27 -14.280 17.359 -3.949 1.00 0.00 N ATOM 0 H LYS A 27 -15.960 13.105 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 27 -18.509 13.769 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -18.372 15.690 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.837 15.519 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -16.742 13.779 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -17.382 15.313 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.844 15.017 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.852 15.215 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.574 17.470 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.410 17.236 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.282 18.387 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.252 16.869 -3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.443 17.096 -4.507 1.00 0.00 H new ATOM 453 N ASP A 28 -19.694 12.069 -3.566 1.00 0.00 N ATOM 454 CA ASP A 28 -20.623 11.350 -4.487 1.00 0.00 C ATOM 455 C ASP A 28 -21.298 10.188 -3.753 1.00 0.00 C ATOM 456 O ASP A 28 -22.510 10.104 -3.706 1.00 0.00 O ATOM 457 CB ASP A 28 -19.738 10.826 -5.621 1.00 0.00 C ATOM 458 CG ASP A 28 -20.197 11.428 -6.951 1.00 0.00 C ATOM 459 OD1 ASP A 28 -21.248 12.046 -6.969 1.00 0.00 O ATOM 460 OD2 ASP A 28 -19.488 11.258 -7.930 1.00 0.00 O ATOM 0 H ASP A 28 -19.757 11.795 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 28 -21.417 11.998 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.696 11.086 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -19.792 9.738 -5.665 1.00 0.00 H new ATOM 465 N PRO A 29 -20.484 9.326 -3.205 1.00 0.00 N ATOM 466 CA PRO A 29 -21.002 8.148 -2.466 1.00 0.00 C ATOM 467 C PRO A 29 -21.562 8.568 -1.102 1.00 0.00 C ATOM 468 O PRO A 29 -21.119 8.105 -0.070 1.00 0.00 O ATOM 469 CB PRO A 29 -19.770 7.264 -2.296 1.00 0.00 C ATOM 470 CG PRO A 29 -18.605 8.200 -2.364 1.00 0.00 C ATOM 471 CD PRO A 29 -19.017 9.366 -3.225 1.00 0.00 C ATOM 0 HA PRO A 29 -21.818 7.644 -2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -19.794 6.733 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -19.715 6.509 -3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -18.325 8.539 -1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -17.734 7.699 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.639 10.308 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.629 9.269 -4.239 1.00 0.00 H new ATOM 479 N GLU A 30 -22.536 9.437 -1.090 1.00 0.00 N ATOM 480 CA GLU A 30 -23.123 9.880 0.209 1.00 0.00 C ATOM 481 C GLU A 30 -24.106 8.827 0.730 1.00 0.00 C ATOM 482 O GLU A 30 -24.171 7.722 0.227 1.00 0.00 O ATOM 483 CB GLU A 30 -23.854 11.185 -0.107 1.00 0.00 C ATOM 484 CG GLU A 30 -24.799 10.970 -1.291 1.00 0.00 C ATOM 485 CD GLU A 30 -25.900 12.032 -1.265 1.00 0.00 C ATOM 486 OE1 GLU A 30 -25.657 13.122 -1.755 1.00 0.00 O ATOM 487 OE2 GLU A 30 -26.968 11.736 -0.752 1.00 0.00 O ATOM 0 H GLU A 30 -22.951 9.859 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 30 -22.364 10.016 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -24.417 11.519 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -23.134 11.969 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -24.245 11.029 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -25.239 9.974 -1.243 1.00 0.00 H new ATOM 494 N GLY A 31 -24.870 9.159 1.735 1.00 0.00 N ATOM 495 CA GLY A 31 -25.845 8.175 2.287 1.00 0.00 C ATOM 496 C GLY A 31 -25.122 7.222 3.241 1.00 0.00 C ATOM 497 O GLY A 31 -24.403 6.341 2.821 1.00 0.00 O ATOM 0 H GLY A 31 -24.861 10.068 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -26.645 8.696 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -26.309 7.613 1.477 1.00 0.00 H new ATOM 501 N LYS A 32 -25.309 7.399 4.522 1.00 0.00 N ATOM 502 CA LYS A 32 -24.634 6.510 5.516 1.00 0.00 C ATOM 503 C LYS A 32 -23.155 6.319 5.146 1.00 0.00 C ATOM 504 O LYS A 32 -22.654 6.926 4.220 1.00 0.00 O ATOM 505 CB LYS A 32 -25.431 5.191 5.475 1.00 0.00 C ATOM 506 CG LYS A 32 -24.687 4.106 4.686 1.00 0.00 C ATOM 507 CD LYS A 32 -25.566 2.855 4.600 1.00 0.00 C ATOM 508 CE LYS A 32 -24.792 1.725 3.918 1.00 0.00 C ATOM 509 NZ LYS A 32 -25.454 0.474 4.385 1.00 0.00 N ATOM 0 H LYS A 32 -25.903 8.124 4.926 1.00 0.00 H new ATOM 0 HA LYS A 32 -24.628 6.926 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -25.612 4.843 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -26.406 5.368 5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.448 4.466 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.742 3.868 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -25.874 2.546 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -26.475 3.075 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.836 1.814 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.738 1.743 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.476 -0.218 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.922 0.078 5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.426 0.687 4.686 1.00 0.00 H new ATOM 523 N ILE A 33 -22.448 5.495 5.870 1.00 0.00 N ATOM 524 CA ILE A 33 -21.002 5.289 5.557 1.00 0.00 C ATOM 525 C ILE A 33 -20.847 4.308 4.391 1.00 0.00 C ATOM 526 O ILE A 33 -21.816 3.803 3.858 1.00 0.00 O ATOM 527 CB ILE A 33 -20.361 4.737 6.847 1.00 0.00 C ATOM 528 CG1 ILE A 33 -20.489 3.207 6.904 1.00 0.00 C ATOM 529 CG2 ILE A 33 -21.042 5.347 8.075 1.00 0.00 C ATOM 530 CD1 ILE A 33 -21.961 2.800 6.825 1.00 0.00 C ATOM 0 H ILE A 33 -22.805 4.958 6.660 1.00 0.00 H new ATOM 0 HA ILE A 33 -20.516 6.215 5.251 1.00 0.00 H new ATOM 0 HB ILE A 33 -19.305 5.005 6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -19.934 2.757 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -20.049 2.832 7.828 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -20.582 4.951 8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -20.927 6.431 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -22.102 5.094 8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -22.041 1.714 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -22.504 3.236 7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -22.388 3.160 5.889 1.00 0.00 H new ATOM 542 N ILE A 34 -19.636 4.042 3.988 1.00 0.00 N ATOM 543 CA ILE A 34 -19.415 3.102 2.852 1.00 0.00 C ATOM 544 C ILE A 34 -19.114 1.696 3.376 1.00 0.00 C ATOM 545 O ILE A 34 -18.235 1.505 4.193 1.00 0.00 O ATOM 546 CB ILE A 34 -18.203 3.661 2.108 1.00 0.00 C ATOM 547 CG1 ILE A 34 -18.556 5.024 1.510 1.00 0.00 C ATOM 548 CG2 ILE A 34 -17.803 2.701 0.986 1.00 0.00 C ATOM 549 CD1 ILE A 34 -17.587 6.080 2.044 1.00 0.00 C ATOM 0 H ILE A 34 -18.788 4.435 4.396 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.291 3.021 2.209 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.371 3.773 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -18.501 4.981 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -19.581 5.292 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.938 3.101 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.551 1.730 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.634 2.588 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -17.837 7.052 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -17.664 6.129 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.568 5.813 1.764 1.00 0.00 H new ATOM 561 N LEU A 35 -19.831 0.710 2.910 1.00 0.00 N ATOM 562 CA LEU A 35 -19.574 -0.680 3.381 1.00 0.00 C ATOM 563 C LEU A 35 -18.074 -0.975 3.317 1.00 0.00 C ATOM 564 O LEU A 35 -17.327 -0.286 2.652 1.00 0.00 O ATOM 565 CB LEU A 35 -20.343 -1.577 2.409 1.00 0.00 C ATOM 566 CG LEU A 35 -21.768 -1.802 2.925 1.00 0.00 C ATOM 567 CD1 LEU A 35 -21.740 -2.802 4.083 1.00 0.00 C ATOM 568 CD2 LEU A 35 -22.357 -0.475 3.414 1.00 0.00 C ATOM 0 H LEU A 35 -20.581 0.806 2.226 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.891 -0.840 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.373 -1.117 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.831 -2.533 2.300 1.00 0.00 H new ATOM 0 HG LEU A 35 -22.385 -2.195 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -22.754 -2.962 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -21.326 -3.749 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -21.120 -2.408 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.370 -0.640 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -21.740 -0.078 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -22.380 0.238 2.590 1.00 0.00 H new ATOM 580 N THR A 36 -17.622 -1.988 4.003 1.00 0.00 N ATOM 581 CA THR A 36 -16.166 -2.307 3.972 1.00 0.00 C ATOM 582 C THR A 36 -15.934 -3.806 4.161 1.00 0.00 C ATOM 583 O THR A 36 -16.630 -4.467 4.906 1.00 0.00 O ATOM 584 CB THR A 36 -15.564 -1.524 5.138 1.00 0.00 C ATOM 585 OG1 THR A 36 -16.537 -1.383 6.164 1.00 0.00 O ATOM 586 CG2 THR A 36 -15.124 -0.143 4.653 1.00 0.00 C ATOM 0 H THR A 36 -18.193 -2.605 4.580 1.00 0.00 H new ATOM 0 HA THR A 36 -15.713 -2.040 3.017 1.00 0.00 H new ATOM 0 HB THR A 36 -14.700 -2.060 5.530 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.152 -0.882 6.913 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.695 0.415 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.377 -0.254 3.867 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.986 0.397 4.261 1.00 0.00 H new ATOM 594 N THR A 37 -14.949 -4.341 3.495 1.00 0.00 N ATOM 595 CA THR A 37 -14.650 -5.792 3.632 1.00 0.00 C ATOM 596 C THR A 37 -14.242 -6.092 5.086 1.00 0.00 C ATOM 597 O THR A 37 -15.057 -6.499 5.886 1.00 0.00 O ATOM 598 CB THR A 37 -13.509 -6.033 2.621 1.00 0.00 C ATOM 599 OG1 THR A 37 -14.062 -6.488 1.394 1.00 0.00 O ATOM 600 CG2 THR A 37 -12.514 -7.076 3.136 1.00 0.00 C ATOM 0 H THR A 37 -14.336 -3.832 2.859 1.00 0.00 H new ATOM 0 HA THR A 37 -15.495 -6.449 3.425 1.00 0.00 H new ATOM 0 HB THR A 37 -12.977 -5.092 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.342 -6.641 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.724 -7.221 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.077 -6.731 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.031 -8.021 3.304 1.00 0.00 H new ATOM 608 N THR A 38 -13.000 -5.865 5.432 1.00 0.00 N ATOM 609 CA THR A 38 -12.519 -6.100 6.835 1.00 0.00 C ATOM 610 C THR A 38 -10.995 -6.234 6.867 1.00 0.00 C ATOM 611 O THR A 38 -10.353 -6.457 5.860 1.00 0.00 O ATOM 612 CB THR A 38 -13.147 -7.403 7.345 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.555 -8.220 6.256 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.350 -7.086 8.238 1.00 0.00 C ATOM 0 H THR A 38 -12.284 -5.521 4.792 1.00 0.00 H new ATOM 0 HA THR A 38 -12.807 -5.257 7.463 1.00 0.00 H new ATOM 0 HB THR A 38 -12.401 -7.945 7.925 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.507 -8.075 6.077 1.00 0.00 H new ATOM 0 HG21 THR A 38 -14.792 -8.016 8.597 1.00 0.00 H new ATOM 0 HG22 THR A 38 -14.024 -6.487 9.088 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.092 -6.529 7.665 1.00 0.00 H new ATOM 622 N ARG A 39 -10.414 -6.106 8.028 1.00 0.00 N ATOM 623 CA ARG A 39 -8.928 -6.224 8.138 1.00 0.00 C ATOM 624 C ARG A 39 -8.483 -7.662 7.857 1.00 0.00 C ATOM 625 O ARG A 39 -7.550 -7.896 7.115 1.00 0.00 O ATOM 626 CB ARG A 39 -8.573 -5.801 9.570 1.00 0.00 C ATOM 627 CG ARG A 39 -9.488 -6.494 10.586 1.00 0.00 C ATOM 628 CD ARG A 39 -10.091 -5.442 11.522 1.00 0.00 C ATOM 629 NE ARG A 39 -11.055 -6.190 12.375 1.00 0.00 N ATOM 630 CZ ARG A 39 -10.661 -7.244 13.034 1.00 0.00 C ATOM 631 NH1 ARG A 39 -9.644 -7.161 13.847 1.00 0.00 N ATOM 632 NH2 ARG A 39 -11.285 -8.380 12.881 1.00 0.00 N ATOM 0 H ARG A 39 -10.901 -5.925 8.906 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.419 -5.594 7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.533 -6.051 9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.667 -4.719 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.281 -7.035 10.069 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.923 -7.228 11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.320 -4.963 12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.591 -4.654 10.959 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.024 -5.878 12.444 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.158 -6.272 13.967 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.335 -7.985 14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.081 -8.443 12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.977 -9.205 13.396 1.00 0.00 H new ATOM 646 N GLU A 40 -9.152 -8.626 8.421 1.00 0.00 N ATOM 647 CA GLU A 40 -8.773 -10.042 8.157 1.00 0.00 C ATOM 648 C GLU A 40 -9.039 -10.351 6.687 1.00 0.00 C ATOM 649 O GLU A 40 -8.192 -10.850 5.972 1.00 0.00 O ATOM 650 CB GLU A 40 -9.694 -10.870 9.051 1.00 0.00 C ATOM 651 CG GLU A 40 -9.268 -12.339 9.009 1.00 0.00 C ATOM 652 CD GLU A 40 -10.465 -13.229 9.349 1.00 0.00 C ATOM 653 OE1 GLU A 40 -11.575 -12.848 9.015 1.00 0.00 O ATOM 654 OE2 GLU A 40 -10.252 -14.276 9.937 1.00 0.00 O ATOM 0 H GLU A 40 -9.943 -8.497 9.052 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.723 -10.252 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.653 -10.499 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.727 -10.771 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.885 -12.589 8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.459 -12.514 9.718 1.00 0.00 H new ATOM 661 N ALA A 41 -10.218 -10.035 6.238 1.00 0.00 N ATOM 662 CA ALA A 41 -10.578 -10.276 4.814 1.00 0.00 C ATOM 663 C ALA A 41 -9.554 -9.608 3.895 1.00 0.00 C ATOM 664 O ALA A 41 -8.932 -10.246 3.070 1.00 0.00 O ATOM 665 CB ALA A 41 -11.943 -9.614 4.653 1.00 0.00 C ATOM 0 H ALA A 41 -10.957 -9.615 6.802 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.595 -11.335 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.291 -9.741 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.654 -10.076 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.861 -8.551 4.879 1.00 0.00 H new ATOM 671 N ALA A 42 -9.378 -8.324 4.039 1.00 0.00 N ATOM 672 CA ALA A 42 -8.395 -7.599 3.183 1.00 0.00 C ATOM 673 C ALA A 42 -7.122 -8.430 3.035 1.00 0.00 C ATOM 674 O ALA A 42 -6.783 -8.879 1.958 1.00 0.00 O ATOM 675 CB ALA A 42 -8.107 -6.296 3.927 1.00 0.00 C ATOM 0 H ALA A 42 -9.874 -7.743 4.715 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.773 -7.414 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.389 -5.704 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.032 -5.731 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.694 -6.522 4.910 1.00 0.00 H new ATOM 681 N VAL A 43 -6.421 -8.645 4.112 1.00 0.00 N ATOM 682 CA VAL A 43 -5.175 -9.458 4.034 1.00 0.00 C ATOM 683 C VAL A 43 -5.430 -10.692 3.167 1.00 0.00 C ATOM 684 O VAL A 43 -4.582 -11.118 2.413 1.00 0.00 O ATOM 685 CB VAL A 43 -4.867 -9.849 5.484 1.00 0.00 C ATOM 686 CG1 VAL A 43 -4.024 -11.127 5.519 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.093 -8.714 6.159 1.00 0.00 C ATOM 0 H VAL A 43 -6.655 -8.294 5.041 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.340 -8.921 3.585 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.804 -10.026 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.812 -11.395 6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.572 -11.938 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.087 -10.959 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.872 -8.988 7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.161 -8.540 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.695 -7.805 6.146 1.00 0.00 H new ATOM 697 N GLU A 44 -6.601 -11.256 3.258 1.00 0.00 N ATOM 698 CA GLU A 44 -6.921 -12.451 2.426 1.00 0.00 C ATOM 699 C GLU A 44 -6.993 -12.035 0.958 1.00 0.00 C ATOM 700 O GLU A 44 -6.414 -12.660 0.091 1.00 0.00 O ATOM 701 CB GLU A 44 -8.289 -12.923 2.920 1.00 0.00 C ATOM 702 CG GLU A 44 -8.208 -14.391 3.343 1.00 0.00 C ATOM 703 CD GLU A 44 -7.053 -14.578 4.329 1.00 0.00 C ATOM 704 OE1 GLU A 44 -6.837 -13.686 5.133 1.00 0.00 O ATOM 705 OE2 GLU A 44 -6.405 -15.610 4.263 1.00 0.00 O ATOM 0 H GLU A 44 -7.352 -10.942 3.873 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.172 -13.239 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.614 -12.310 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.032 -12.802 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.146 -14.699 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.059 -15.024 2.468 1.00 0.00 H new ATOM 712 N GLN A 45 -7.691 -10.971 0.680 1.00 0.00 N ATOM 713 CA GLN A 45 -7.795 -10.491 -0.726 1.00 0.00 C ATOM 714 C GLN A 45 -6.436 -9.962 -1.183 1.00 0.00 C ATOM 715 O GLN A 45 -6.008 -10.195 -2.296 1.00 0.00 O ATOM 716 CB GLN A 45 -8.827 -9.364 -0.688 1.00 0.00 C ATOM 717 CG GLN A 45 -10.000 -9.714 -1.606 1.00 0.00 C ATOM 718 CD GLN A 45 -10.958 -10.656 -0.874 1.00 0.00 C ATOM 719 OE1 GLN A 45 -11.294 -11.710 -1.376 1.00 0.00 O ATOM 720 NE2 GLN A 45 -11.416 -10.317 0.300 1.00 0.00 N ATOM 0 H GLN A 45 -8.196 -10.411 1.367 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.089 -11.279 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.182 -9.216 0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.370 -8.427 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.524 -8.807 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.634 -10.187 -2.517 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.134 -9.432 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.056 -10.937 0.796 1.00 0.00 H new ATOM 729 N LEU A 46 -5.749 -9.262 -0.323 1.00 0.00 N ATOM 730 CA LEU A 46 -4.410 -8.730 -0.699 1.00 0.00 C ATOM 731 C LEU A 46 -3.400 -9.877 -0.730 1.00 0.00 C ATOM 732 O LEU A 46 -2.563 -9.964 -1.606 1.00 0.00 O ATOM 733 CB LEU A 46 -4.051 -7.722 0.394 1.00 0.00 C ATOM 734 CG LEU A 46 -3.110 -6.662 -0.183 1.00 0.00 C ATOM 735 CD1 LEU A 46 -3.733 -5.276 -0.010 1.00 0.00 C ATOM 736 CD2 LEU A 46 -1.770 -6.715 0.555 1.00 0.00 C ATOM 0 H LEU A 46 -6.057 -9.036 0.623 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.406 -8.263 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.955 -7.251 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.574 -8.231 1.231 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.950 -6.857 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.062 -4.522 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.687 -5.238 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.894 -5.079 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.099 -5.960 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.931 -6.520 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.325 -7.702 0.431 1.00 0.00 H new ATOM 748 N LYS A 47 -3.489 -10.766 0.220 1.00 0.00 N ATOM 749 CA LYS A 47 -2.554 -11.926 0.257 1.00 0.00 C ATOM 750 C LYS A 47 -2.423 -12.518 -1.148 1.00 0.00 C ATOM 751 O LYS A 47 -1.336 -12.724 -1.654 1.00 0.00 O ATOM 752 CB LYS A 47 -3.217 -12.922 1.214 1.00 0.00 C ATOM 753 CG LYS A 47 -2.646 -14.323 0.989 1.00 0.00 C ATOM 754 CD LYS A 47 -2.455 -15.023 2.337 1.00 0.00 C ATOM 755 CE LYS A 47 -3.707 -14.831 3.199 1.00 0.00 C ATOM 756 NZ LYS A 47 -3.816 -16.079 4.005 1.00 0.00 N ATOM 0 H LYS A 47 -4.173 -10.739 0.976 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.549 -11.659 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.050 -12.614 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.295 -12.930 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.319 -14.904 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.693 -14.258 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.267 -16.086 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.583 -14.616 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.614 -13.954 3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.592 -14.682 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.817 -16.272 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.413 -16.874 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.294 -15.963 4.897 1.00 0.00 H new ATOM 770 N SER A 48 -3.530 -12.778 -1.782 1.00 0.00 N ATOM 771 CA SER A 48 -3.493 -13.342 -3.161 1.00 0.00 C ATOM 772 C SER A 48 -2.973 -12.286 -4.136 1.00 0.00 C ATOM 773 O SER A 48 -2.368 -12.602 -5.136 1.00 0.00 O ATOM 774 CB SER A 48 -4.944 -13.698 -3.479 1.00 0.00 C ATOM 775 OG SER A 48 -5.054 -15.105 -3.654 1.00 0.00 O ATOM 0 H SER A 48 -4.465 -12.624 -1.404 1.00 0.00 H new ATOM 0 HA SER A 48 -2.836 -14.208 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.597 -13.368 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.268 -13.181 -4.382 1.00 0.00 H new ATOM 0 HG SER A 48 -5.984 -15.338 -3.857 1.00 0.00 H new ATOM 781 N ILE A 49 -3.198 -11.033 -3.852 1.00 0.00 N ATOM 782 CA ILE A 49 -2.703 -9.968 -4.772 1.00 0.00 C ATOM 783 C ILE A 49 -1.199 -10.147 -4.993 1.00 0.00 C ATOM 784 O ILE A 49 -0.737 -10.284 -6.107 1.00 0.00 O ATOM 785 CB ILE A 49 -3.046 -8.640 -4.066 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.956 -7.815 -4.976 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.783 -7.825 -3.755 1.00 0.00 C ATOM 788 CD1 ILE A 49 -3.180 -7.403 -6.228 1.00 0.00 C ATOM 0 H ILE A 49 -3.700 -10.701 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.159 -10.000 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.544 -8.872 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.835 -8.396 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.313 -6.931 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.063 -6.896 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.129 -8.403 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.260 -7.596 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.826 -6.814 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.315 -6.806 -5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.845 -8.294 -6.758 1.00 0.00 H new ATOM 800 N ARG A 50 -0.437 -10.165 -3.939 1.00 0.00 N ATOM 801 CA ARG A 50 1.030 -10.358 -4.091 1.00 0.00 C ATOM 802 C ARG A 50 1.270 -11.619 -4.918 1.00 0.00 C ATOM 803 O ARG A 50 2.032 -11.625 -5.864 1.00 0.00 O ATOM 804 CB ARG A 50 1.555 -10.530 -2.665 1.00 0.00 C ATOM 805 CG ARG A 50 2.928 -11.204 -2.697 1.00 0.00 C ATOM 806 CD ARG A 50 2.778 -12.686 -2.343 1.00 0.00 C ATOM 807 NE ARG A 50 2.551 -12.709 -0.871 1.00 0.00 N ATOM 808 CZ ARG A 50 2.844 -13.778 -0.179 1.00 0.00 C ATOM 809 NH1 ARG A 50 2.133 -14.863 -0.322 1.00 0.00 N ATOM 810 NH2 ARG A 50 3.844 -13.759 0.658 1.00 0.00 N ATOM 0 H ARG A 50 -0.765 -10.055 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 50 1.528 -9.530 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.627 -9.559 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.858 -11.131 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.374 -11.099 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.601 -10.717 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.943 -13.137 -2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.671 -13.249 -2.614 1.00 0.00 H new ATOM 0 HE ARG A 50 2.166 -11.889 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.349 -14.877 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.362 -15.697 0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.397 -12.910 0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.073 -14.593 1.198 1.00 0.00 H new ATOM 824 N GLU A 51 0.596 -12.678 -4.570 1.00 0.00 N ATOM 825 CA GLU A 51 0.735 -13.953 -5.328 1.00 0.00 C ATOM 826 C GLU A 51 0.317 -13.720 -6.778 1.00 0.00 C ATOM 827 O GLU A 51 1.051 -13.973 -7.712 1.00 0.00 O ATOM 828 CB GLU A 51 -0.243 -14.893 -4.620 1.00 0.00 C ATOM 829 CG GLU A 51 -0.764 -15.963 -5.581 1.00 0.00 C ATOM 830 CD GLU A 51 0.397 -16.523 -6.407 1.00 0.00 C ATOM 831 OE1 GLU A 51 1.411 -16.857 -5.816 1.00 0.00 O ATOM 832 OE2 GLU A 51 0.251 -16.610 -7.615 1.00 0.00 O ATOM 0 H GLU A 51 -0.053 -12.716 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 51 1.750 -14.350 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.252 -15.369 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.079 -14.320 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.245 -16.765 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.520 -15.537 -6.240 1.00 0.00 H new ATOM 839 N ASP A 52 -0.864 -13.229 -6.959 1.00 0.00 N ATOM 840 CA ASP A 52 -1.349 -12.950 -8.339 1.00 0.00 C ATOM 841 C ASP A 52 -0.358 -12.013 -9.030 1.00 0.00 C ATOM 842 O ASP A 52 0.137 -12.296 -10.102 1.00 0.00 O ATOM 843 CB ASP A 52 -2.705 -12.265 -8.156 1.00 0.00 C ATOM 844 CG ASP A 52 -3.460 -12.258 -9.486 1.00 0.00 C ATOM 845 OD1 ASP A 52 -3.049 -11.528 -10.373 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.436 -12.982 -9.596 1.00 0.00 O ATOM 0 H ASP A 52 -1.523 -13.005 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.439 -13.848 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.288 -12.788 -7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.563 -11.244 -7.801 1.00 0.00 H new ATOM 851 N ILE A 53 -0.045 -10.909 -8.407 1.00 0.00 N ATOM 852 CA ILE A 53 0.936 -9.969 -9.013 1.00 0.00 C ATOM 853 C ILE A 53 2.277 -10.684 -9.161 1.00 0.00 C ATOM 854 O ILE A 53 3.089 -10.350 -10.001 1.00 0.00 O ATOM 855 CB ILE A 53 1.049 -8.810 -8.023 1.00 0.00 C ATOM 856 CG1 ILE A 53 -0.216 -7.950 -8.100 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.268 -7.956 -8.375 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.008 -6.642 -7.339 1.00 0.00 C ATOM 0 H ILE A 53 -0.426 -10.619 -7.506 1.00 0.00 H new ATOM 0 HA ILE A 53 0.635 -9.617 -10.000 1.00 0.00 H new ATOM 0 HB ILE A 53 1.161 -9.204 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.463 -7.740 -9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.062 -8.490 -7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.349 -7.129 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.168 -8.568 -8.322 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.156 -7.561 -9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.892 -6.030 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.234 -6.862 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.842 -6.100 -7.784 1.00 0.00 H new ATOM 870 N VAL A 54 2.503 -11.677 -8.348 1.00 0.00 N ATOM 871 CA VAL A 54 3.777 -12.439 -8.427 1.00 0.00 C ATOM 872 C VAL A 54 3.859 -13.156 -9.782 1.00 0.00 C ATOM 873 O VAL A 54 4.876 -13.140 -10.446 1.00 0.00 O ATOM 874 CB VAL A 54 3.702 -13.428 -7.242 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.939 -14.873 -7.702 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.755 -13.058 -6.199 1.00 0.00 C ATOM 0 H VAL A 54 1.855 -11.995 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 54 4.669 -11.816 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 54 2.703 -13.362 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.879 -15.542 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.180 -15.151 -8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.927 -14.953 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.701 -13.756 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.746 -13.107 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.570 -12.046 -5.838 1.00 0.00 H new ATOM 886 N SER A 55 2.795 -13.791 -10.186 1.00 0.00 N ATOM 887 CA SER A 55 2.806 -14.519 -11.485 1.00 0.00 C ATOM 888 C SER A 55 2.217 -13.661 -12.612 1.00 0.00 C ATOM 889 O SER A 55 1.729 -12.570 -12.398 1.00 0.00 O ATOM 890 CB SER A 55 1.931 -15.745 -11.246 1.00 0.00 C ATOM 891 OG SER A 55 2.561 -16.598 -10.298 1.00 0.00 O ATOM 0 H SER A 55 1.916 -13.837 -9.671 1.00 0.00 H new ATOM 0 HA SER A 55 3.819 -14.775 -11.794 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.950 -15.440 -10.882 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.771 -16.279 -12.182 1.00 0.00 H new ATOM 0 HG SER A 55 1.999 -17.385 -10.142 1.00 0.00 H new ATOM 897 N GLY A 56 2.256 -14.174 -13.812 1.00 0.00 N ATOM 898 CA GLY A 56 1.701 -13.441 -14.985 1.00 0.00 C ATOM 899 C GLY A 56 2.023 -11.957 -14.876 1.00 0.00 C ATOM 900 O GLY A 56 1.180 -11.129 -15.149 1.00 0.00 O ATOM 0 H GLY A 56 2.656 -15.086 -14.032 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.119 -13.845 -15.907 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.622 -13.584 -15.035 1.00 0.00 H new ATOM 904 N LYS A 57 3.246 -11.639 -14.511 1.00 0.00 N ATOM 905 CA LYS A 57 3.710 -10.224 -14.383 1.00 0.00 C ATOM 906 C LYS A 57 2.550 -9.224 -14.511 1.00 0.00 C ATOM 907 O LYS A 57 2.532 -8.365 -15.367 1.00 0.00 O ATOM 908 CB LYS A 57 4.709 -10.114 -15.526 1.00 0.00 C ATOM 909 CG LYS A 57 5.020 -8.651 -15.846 1.00 0.00 C ATOM 910 CD LYS A 57 4.501 -8.314 -17.246 1.00 0.00 C ATOM 911 CE LYS A 57 4.952 -6.902 -17.629 1.00 0.00 C ATOM 912 NZ LYS A 57 6.321 -7.075 -18.189 1.00 0.00 N ATOM 0 H LYS A 57 3.963 -12.330 -14.290 1.00 0.00 H new ATOM 0 HA LYS A 57 4.142 -9.987 -13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.629 -10.635 -15.261 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.308 -10.606 -16.412 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.554 -7.999 -15.107 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.095 -8.476 -15.793 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.878 -9.037 -17.969 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.413 -8.379 -17.268 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.279 -6.458 -18.362 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.960 -6.241 -16.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.892 -6.232 -17.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.767 -7.912 -17.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.261 -7.202 -19.219 1.00 0.00 H new ATOM 926 N ALA A 58 1.568 -9.353 -13.661 1.00 0.00 N ATOM 927 CA ALA A 58 0.394 -8.437 -13.718 1.00 0.00 C ATOM 928 C ALA A 58 0.842 -6.971 -13.729 1.00 0.00 C ATOM 929 O ALA A 58 2.012 -6.667 -13.606 1.00 0.00 O ATOM 930 CB ALA A 58 -0.383 -8.754 -12.448 1.00 0.00 C ATOM 0 H ALA A 58 1.529 -10.058 -12.925 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.200 -8.576 -14.621 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.272 -8.125 -12.399 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.680 -9.803 -12.455 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.246 -8.561 -11.579 1.00 0.00 H new ATOM 936 N ASN A 59 -0.085 -6.060 -13.878 1.00 0.00 N ATOM 937 CA ASN A 59 0.276 -4.612 -13.903 1.00 0.00 C ATOM 938 C ASN A 59 0.404 -4.066 -12.476 1.00 0.00 C ATOM 939 O ASN A 59 0.768 -4.775 -11.559 1.00 0.00 O ATOM 940 CB ASN A 59 -0.883 -3.933 -14.631 1.00 0.00 C ATOM 941 CG ASN A 59 -1.187 -4.686 -15.927 1.00 0.00 C ATOM 942 OD1 ASN A 59 -2.238 -5.281 -16.066 1.00 0.00 O ATOM 943 ND2 ASN A 59 -0.307 -4.685 -16.889 1.00 0.00 N ATOM 0 H ASN A 59 -1.080 -6.258 -13.984 1.00 0.00 H new ATOM 0 HA ASN A 59 1.233 -4.435 -14.394 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.766 -3.916 -13.993 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.629 -2.896 -14.852 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.501 -5.183 -17.758 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.575 -4.186 -16.773 1.00 0.00 H new ATOM 950 N PHE A 60 0.106 -2.807 -12.283 1.00 0.00 N ATOM 951 CA PHE A 60 0.212 -2.220 -10.915 1.00 0.00 C ATOM 952 C PHE A 60 -0.245 -0.757 -10.917 1.00 0.00 C ATOM 953 O PHE A 60 -0.992 -0.329 -10.060 1.00 0.00 O ATOM 954 CB PHE A 60 1.697 -2.312 -10.561 1.00 0.00 C ATOM 955 CG PHE A 60 1.895 -1.912 -9.118 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.825 -0.562 -8.752 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.146 -2.889 -8.147 1.00 0.00 C ATOM 958 CE1 PHE A 60 2.005 -0.189 -7.415 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.327 -2.515 -6.809 1.00 0.00 C ATOM 960 CZ PHE A 60 2.256 -1.165 -6.443 1.00 0.00 C ATOM 0 H PHE A 60 -0.205 -2.163 -13.010 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.418 -2.744 -10.196 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.058 -3.328 -10.721 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.279 -1.661 -11.213 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.632 0.191 -9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.200 -3.930 -8.429 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.950 0.852 -7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.521 -3.268 -6.060 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.395 -0.877 -5.411 1.00 0.00 H new ATOM 970 N GLU A 61 0.210 0.011 -11.864 1.00 0.00 N ATOM 971 CA GLU A 61 -0.183 1.454 -11.916 1.00 0.00 C ATOM 972 C GLU A 61 -1.710 1.611 -11.942 1.00 0.00 C ATOM 973 O GLU A 61 -2.339 1.727 -10.910 1.00 0.00 O ATOM 974 CB GLU A 61 0.449 2.019 -13.198 1.00 0.00 C ATOM 975 CG GLU A 61 0.403 0.983 -14.327 1.00 0.00 C ATOM 976 CD GLU A 61 1.801 0.402 -14.546 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.744 0.956 -14.005 1.00 0.00 O ATOM 978 OE2 GLU A 61 1.906 -0.587 -15.252 1.00 0.00 O ATOM 0 H GLU A 61 0.838 -0.294 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 61 0.164 1.989 -11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.081 2.921 -13.504 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.482 2.307 -13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.298 0.187 -14.076 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.043 1.446 -15.245 1.00 0.00 H new ATOM 985 N GLU A 62 -2.309 1.630 -13.107 1.00 0.00 N ATOM 986 CA GLU A 62 -3.794 1.792 -13.189 1.00 0.00 C ATOM 987 C GLU A 62 -4.479 1.011 -12.067 1.00 0.00 C ATOM 988 O GLU A 62 -5.494 1.424 -11.542 1.00 0.00 O ATOM 989 CB GLU A 62 -4.181 1.224 -14.555 1.00 0.00 C ATOM 990 CG GLU A 62 -4.824 2.325 -15.401 1.00 0.00 C ATOM 991 CD GLU A 62 -6.346 2.191 -15.339 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.888 2.308 -14.252 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.943 1.973 -16.380 1.00 0.00 O ATOM 0 H GLU A 62 -1.834 1.540 -14.005 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.100 2.832 -13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.299 0.830 -15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.875 0.393 -14.432 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.519 3.305 -15.034 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.483 2.251 -16.434 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.927 -0.105 -11.680 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.551 -0.885 -10.577 1.00 0.00 C ATOM 1002 C VAL A 63 -4.577 -0.030 -9.312 1.00 0.00 C ATOM 1003 O VAL A 63 -5.547 -0.005 -8.582 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.650 -2.105 -10.385 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.145 -2.926 -9.193 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.688 -2.969 -11.647 1.00 0.00 C ATOM 0 H VAL A 63 -3.078 -0.508 -12.076 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.577 -1.181 -10.797 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.628 -1.774 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.502 -3.795 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.120 -2.312 -8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.167 -3.256 -9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.046 -3.839 -11.512 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.711 -3.298 -11.832 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.335 -2.386 -12.498 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.515 0.683 -9.060 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.465 1.555 -7.853 1.00 0.00 C ATOM 1018 C ALA A 64 -4.518 2.657 -7.964 1.00 0.00 C ATOM 1019 O ALA A 64 -5.367 2.805 -7.111 1.00 0.00 O ATOM 1020 CB ALA A 64 -2.060 2.157 -7.860 1.00 0.00 C ATOM 0 H ALA A 64 -2.676 0.699 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.669 1.006 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.942 2.815 -6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.321 1.357 -7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.914 2.729 -8.776 1.00 0.00 H new ATOM 1026 N THR A 65 -4.467 3.428 -9.014 1.00 0.00 N ATOM 1027 CA THR A 65 -5.464 4.523 -9.188 1.00 0.00 C ATOM 1028 C THR A 65 -6.866 4.026 -8.812 1.00 0.00 C ATOM 1029 O THR A 65 -7.677 4.765 -8.293 1.00 0.00 O ATOM 1030 CB THR A 65 -5.402 4.889 -10.673 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.390 4.124 -11.313 1.00 0.00 O ATOM 1032 CG2 THR A 65 -5.086 6.376 -10.830 1.00 0.00 C ATOM 0 H THR A 65 -3.777 3.348 -9.761 1.00 0.00 H new ATOM 0 HA THR A 65 -5.250 5.381 -8.551 1.00 0.00 H new ATOM 0 HB THR A 65 -6.367 4.674 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.520 4.554 -11.177 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.043 6.629 -11.889 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.865 6.966 -10.347 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.124 6.595 -10.366 1.00 0.00 H new ATOM 1040 N ARG A 66 -7.156 2.778 -9.070 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.505 2.238 -8.725 1.00 0.00 C ATOM 1042 C ARG A 66 -8.509 1.702 -7.290 1.00 0.00 C ATOM 1043 O ARG A 66 -9.299 2.111 -6.462 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.745 1.101 -9.722 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.245 0.963 -9.993 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.524 -0.388 -10.656 1.00 0.00 C ATOM 1047 NE ARG A 66 -10.292 -0.159 -12.109 1.00 0.00 N ATOM 1048 CZ ARG A 66 -11.284 -0.252 -12.951 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -12.049 -1.310 -12.944 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -11.512 0.713 -13.799 1.00 0.00 N ATOM 0 H ARG A 66 -6.519 2.110 -9.504 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.281 3.001 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.214 1.302 -10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.350 0.166 -9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.802 1.044 -9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.584 1.773 -10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.862 -1.162 -10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.546 -0.717 -10.466 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.357 0.071 -12.446 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.871 -2.064 -12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.825 -1.383 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.915 1.540 -13.803 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.288 0.641 -14.458 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.621 0.797 -6.994 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.545 0.224 -5.618 1.00 0.00 C ATOM 1066 C VAL A 67 -6.485 0.980 -4.816 1.00 0.00 C ATOM 1067 O VAL A 67 -5.448 0.449 -4.480 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.126 -1.232 -5.827 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.697 -1.280 -6.370 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.185 -1.984 -4.496 1.00 0.00 C ATOM 0 H VAL A 67 -6.936 0.424 -7.652 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.484 0.300 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.805 -1.701 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.399 -2.318 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.651 -0.749 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.021 -0.807 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.886 -3.021 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.509 -1.513 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.202 -1.954 -4.106 1.00 0.00 H new ATOM 1080 N SER A 68 -6.724 2.227 -4.536 1.00 0.00 N ATOM 1081 CA SER A 68 -5.710 3.028 -3.787 1.00 0.00 C ATOM 1082 C SER A 68 -6.342 3.778 -2.609 1.00 0.00 C ATOM 1083 O SER A 68 -7.546 3.801 -2.443 1.00 0.00 O ATOM 1084 CB SER A 68 -5.204 4.023 -4.822 1.00 0.00 C ATOM 1085 OG SER A 68 -6.282 4.376 -5.675 1.00 0.00 O ATOM 0 H SER A 68 -7.574 2.730 -4.791 1.00 0.00 H new ATOM 0 HA SER A 68 -4.926 2.402 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.804 4.910 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.391 3.586 -5.401 1.00 0.00 H new ATOM 0 HG SER A 68 -6.356 3.718 -6.398 1.00 0.00 H new ATOM 1091 N ASP A 69 -5.528 4.406 -1.799 1.00 0.00 N ATOM 1092 CA ASP A 69 -6.063 5.177 -0.637 1.00 0.00 C ATOM 1093 C ASP A 69 -6.731 6.456 -1.126 1.00 0.00 C ATOM 1094 O ASP A 69 -6.252 7.546 -0.894 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.845 5.506 0.225 1.00 0.00 C ATOM 1096 CG ASP A 69 -5.291 6.311 1.448 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -6.477 6.572 1.560 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -4.439 6.654 2.250 1.00 0.00 O ATOM 0 H ASP A 69 -4.512 4.418 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.811 4.615 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.350 4.588 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.119 6.076 -0.354 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.834 6.323 -1.807 1.00 0.00 N ATOM 1104 CA CYS A 70 -8.549 7.518 -2.329 1.00 0.00 C ATOM 1105 C CYS A 70 -7.549 8.491 -2.967 1.00 0.00 C ATOM 1106 O CYS A 70 -7.242 8.405 -4.145 1.00 0.00 O ATOM 1107 CB CYS A 70 -9.221 8.156 -1.112 1.00 0.00 C ATOM 1108 SG CYS A 70 -9.958 9.739 -1.590 1.00 0.00 S ATOM 0 H CYS A 70 -8.274 5.429 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.277 7.258 -3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.988 7.490 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.490 8.308 -0.318 1.00 0.00 H new ATOM 0 HG CYS A 70 -11.121 9.530 -2.133 1.00 0.00 H new ATOM 1114 N SER A 71 -7.017 9.400 -2.194 1.00 0.00 N ATOM 1115 CA SER A 71 -6.016 10.347 -2.750 1.00 0.00 C ATOM 1116 C SER A 71 -5.033 9.554 -3.598 1.00 0.00 C ATOM 1117 O SER A 71 -4.737 9.895 -4.726 1.00 0.00 O ATOM 1118 CB SER A 71 -5.318 10.931 -1.528 1.00 0.00 C ATOM 1119 OG SER A 71 -4.398 11.933 -1.942 1.00 0.00 O ATOM 0 H SER A 71 -7.233 9.525 -1.205 1.00 0.00 H new ATOM 0 HA SER A 71 -6.450 11.128 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.053 11.357 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.795 10.144 -0.984 1.00 0.00 H new ATOM 0 HG SER A 71 -3.950 12.310 -1.156 1.00 0.00 H new ATOM 1125 N SER A 72 -4.550 8.474 -3.059 1.00 0.00 N ATOM 1126 CA SER A 72 -3.610 7.619 -3.828 1.00 0.00 C ATOM 1127 C SER A 72 -4.227 7.313 -5.189 1.00 0.00 C ATOM 1128 O SER A 72 -3.551 7.286 -6.190 1.00 0.00 O ATOM 1129 CB SER A 72 -3.450 6.347 -3.000 1.00 0.00 C ATOM 1130 OG SER A 72 -2.403 6.533 -2.058 1.00 0.00 O ATOM 0 H SER A 72 -4.766 8.146 -2.118 1.00 0.00 H new ATOM 0 HA SER A 72 -2.644 8.094 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.382 6.114 -2.485 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.225 5.501 -3.650 1.00 0.00 H new ATOM 0 HG SER A 72 -2.297 5.719 -1.522 1.00 0.00 H new ATOM 1136 N ALA A 73 -5.516 7.122 -5.252 1.00 0.00 N ATOM 1137 CA ALA A 73 -6.135 6.870 -6.582 1.00 0.00 C ATOM 1138 C ALA A 73 -5.629 7.953 -7.526 1.00 0.00 C ATOM 1139 O ALA A 73 -5.362 7.716 -8.684 1.00 0.00 O ATOM 1140 CB ALA A 73 -7.644 6.976 -6.368 1.00 0.00 C ATOM 0 H ALA A 73 -6.156 7.129 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.889 5.896 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.159 6.800 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.961 6.231 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.890 7.972 -6.001 1.00 0.00 H new ATOM 1146 N LYS A 74 -5.444 9.135 -7.008 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.891 10.236 -7.848 1.00 0.00 C ATOM 1148 C LYS A 74 -3.379 10.024 -7.965 1.00 0.00 C ATOM 1149 O LYS A 74 -2.759 10.345 -8.960 1.00 0.00 O ATOM 1150 CB LYS A 74 -5.200 11.522 -7.080 1.00 0.00 C ATOM 1151 CG LYS A 74 -4.877 12.733 -7.959 1.00 0.00 C ATOM 1152 CD LYS A 74 -5.066 14.017 -7.149 1.00 0.00 C ATOM 1153 CE LYS A 74 -3.752 14.378 -6.452 1.00 0.00 C ATOM 1154 NZ LYS A 74 -3.126 15.411 -7.323 1.00 0.00 N ATOM 0 H LYS A 74 -5.651 9.387 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.312 10.273 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.250 11.541 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.614 11.559 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.852 12.668 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.526 12.744 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.378 14.830 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.856 13.881 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.930 14.763 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.107 13.505 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.219 15.709 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.962 15.014 -8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.759 16.233 -7.397 1.00 0.00 H new ATOM 1168 N ARG A 75 -2.797 9.463 -6.938 1.00 0.00 N ATOM 1169 CA ARG A 75 -1.331 9.182 -6.928 1.00 0.00 C ATOM 1170 C ARG A 75 -1.112 7.670 -6.764 1.00 0.00 C ATOM 1171 O ARG A 75 -0.469 7.220 -5.837 1.00 0.00 O ATOM 1172 CB ARG A 75 -0.811 9.933 -5.700 1.00 0.00 C ATOM 1173 CG ARG A 75 0.638 10.355 -5.931 1.00 0.00 C ATOM 1174 CD ARG A 75 0.801 11.836 -5.579 1.00 0.00 C ATOM 1175 NE ARG A 75 1.202 12.499 -6.851 1.00 0.00 N ATOM 1176 CZ ARG A 75 1.464 13.778 -6.865 1.00 0.00 C ATOM 1177 NH1 ARG A 75 1.701 14.407 -5.746 1.00 0.00 N ATOM 1178 NH2 ARG A 75 1.490 14.429 -7.995 1.00 0.00 N ATOM 0 H ARG A 75 -3.286 9.182 -6.088 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.825 9.491 -7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.429 10.810 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.879 9.297 -4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.306 9.749 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.916 10.185 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.129 12.254 -5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.557 11.976 -4.807 1.00 0.00 H new ATOM 0 HE ARG A 75 1.272 11.954 -7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.681 13.899 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.906 15.406 -5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.305 13.939 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.695 15.428 -8.003 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.675 6.886 -7.646 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.545 5.404 -7.538 1.00 0.00 C ATOM 1194 C GLY A 76 -0.143 4.971 -7.942 1.00 0.00 C ATOM 1195 O GLY A 76 0.202 3.808 -7.875 1.00 0.00 O ATOM 0 H GLY A 76 -2.223 7.212 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.752 5.087 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.282 4.919 -8.178 1.00 0.00 H new ATOM 1199 N GLY A 77 0.670 5.892 -8.361 1.00 0.00 N ATOM 1200 CA GLY A 77 2.050 5.524 -8.767 1.00 0.00 C ATOM 1201 C GLY A 77 2.839 5.065 -7.540 1.00 0.00 C ATOM 1202 O GLY A 77 2.689 3.951 -7.053 1.00 0.00 O ATOM 0 H GLY A 77 0.441 6.883 -8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.021 4.729 -9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.544 6.378 -9.231 1.00 0.00 H new ATOM 1206 N ASP A 78 3.685 5.910 -7.033 1.00 0.00 N ATOM 1207 CA ASP A 78 4.487 5.512 -5.850 1.00 0.00 C ATOM 1208 C ASP A 78 4.735 6.700 -4.924 1.00 0.00 C ATOM 1209 O ASP A 78 4.466 7.837 -5.257 1.00 0.00 O ATOM 1210 CB ASP A 78 5.811 5.016 -6.433 1.00 0.00 C ATOM 1211 CG ASP A 78 6.599 6.206 -6.984 1.00 0.00 C ATOM 1212 OD1 ASP A 78 5.994 7.042 -7.636 1.00 0.00 O ATOM 1213 OD2 ASP A 78 7.794 6.262 -6.743 1.00 0.00 O ATOM 0 H ASP A 78 3.856 6.853 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 78 3.977 4.757 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.391 4.506 -5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.624 4.291 -7.225 1.00 0.00 H new ATOM 1218 N LEU A 79 5.275 6.433 -3.769 1.00 0.00 N ATOM 1219 CA LEU A 79 5.581 7.528 -2.809 1.00 0.00 C ATOM 1220 C LEU A 79 6.803 8.288 -3.317 1.00 0.00 C ATOM 1221 O LEU A 79 6.841 9.502 -3.346 1.00 0.00 O ATOM 1222 CB LEU A 79 5.912 6.838 -1.474 1.00 0.00 C ATOM 1223 CG LEU A 79 5.030 5.599 -1.263 1.00 0.00 C ATOM 1224 CD1 LEU A 79 5.822 4.337 -1.614 1.00 0.00 C ATOM 1225 CD2 LEU A 79 4.610 5.518 0.206 1.00 0.00 C ATOM 0 H LEU A 79 5.519 5.497 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 79 4.754 8.229 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.963 6.548 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.765 7.538 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 79 4.150 5.675 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.193 3.459 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.137 4.383 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.701 4.269 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.984 4.639 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.497 5.444 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.049 6.413 0.474 1.00 0.00 H new ATOM 1237 N GLY A 80 7.804 7.557 -3.714 1.00 0.00 N ATOM 1238 CA GLY A 80 9.050 8.177 -4.224 1.00 0.00 C ATOM 1239 C GLY A 80 10.145 7.956 -3.199 1.00 0.00 C ATOM 1240 O GLY A 80 11.000 7.119 -3.366 1.00 0.00 O ATOM 0 H GLY A 80 7.809 6.537 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.330 7.735 -5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.901 9.243 -4.397 1.00 0.00 H new ATOM 1244 N SER A 81 10.113 8.696 -2.130 1.00 0.00 N ATOM 1245 CA SER A 81 11.156 8.527 -1.083 1.00 0.00 C ATOM 1246 C SER A 81 10.665 9.030 0.273 1.00 0.00 C ATOM 1247 O SER A 81 10.052 10.073 0.384 1.00 0.00 O ATOM 1248 CB SER A 81 12.338 9.354 -1.567 1.00 0.00 C ATOM 1249 OG SER A 81 12.219 10.682 -1.077 1.00 0.00 O ATOM 0 H SER A 81 9.411 9.410 -1.935 1.00 0.00 H new ATOM 0 HA SER A 81 11.417 7.478 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.272 8.910 -1.222 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.371 9.359 -2.657 1.00 0.00 H new ATOM 0 HG SER A 81 12.981 11.215 -1.387 1.00 0.00 H new ATOM 1255 N PHE A 82 10.943 8.285 1.303 1.00 0.00 N ATOM 1256 CA PHE A 82 10.518 8.686 2.671 1.00 0.00 C ATOM 1257 C PHE A 82 11.457 8.033 3.689 1.00 0.00 C ATOM 1258 O PHE A 82 12.593 7.730 3.380 1.00 0.00 O ATOM 1259 CB PHE A 82 9.089 8.156 2.811 1.00 0.00 C ATOM 1260 CG PHE A 82 9.027 6.736 2.305 1.00 0.00 C ATOM 1261 CD1 PHE A 82 8.961 6.482 0.929 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.036 5.674 3.214 1.00 0.00 C ATOM 1263 CE1 PHE A 82 8.906 5.163 0.464 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.981 4.357 2.750 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.916 4.100 1.375 1.00 0.00 C ATOM 0 H PHE A 82 11.454 7.403 1.255 1.00 0.00 H new ATOM 0 HA PHE A 82 10.554 9.762 2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.776 8.196 3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.400 8.785 2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.953 7.303 0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.085 5.871 4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.856 4.965 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.989 3.537 3.452 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.874 3.082 1.017 1.00 0.00 H new ATOM 1275 N GLY A 83 11.011 7.802 4.893 1.00 0.00 N ATOM 1276 CA GLY A 83 11.910 7.162 5.890 1.00 0.00 C ATOM 1277 C GLY A 83 11.586 7.673 7.293 1.00 0.00 C ATOM 1278 O GLY A 83 11.796 8.826 7.614 1.00 0.00 O ATOM 0 H GLY A 83 10.073 8.026 5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.794 6.079 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.950 7.380 5.646 1.00 0.00 H new ATOM 1282 N ARG A 84 11.083 6.813 8.134 1.00 0.00 N ATOM 1283 CA ARG A 84 10.748 7.226 9.529 1.00 0.00 C ATOM 1284 C ARG A 84 9.658 8.304 9.526 1.00 0.00 C ATOM 1285 O ARG A 84 9.714 9.256 8.773 1.00 0.00 O ATOM 1286 CB ARG A 84 12.050 7.787 10.115 1.00 0.00 C ATOM 1287 CG ARG A 84 13.252 6.951 9.651 1.00 0.00 C ATOM 1288 CD ARG A 84 12.987 5.466 9.912 1.00 0.00 C ATOM 1289 NE ARG A 84 12.668 5.381 11.364 1.00 0.00 N ATOM 1290 CZ ARG A 84 13.632 5.280 12.238 1.00 0.00 C ATOM 1291 NH1 ARG A 84 14.373 6.318 12.517 1.00 0.00 N ATOM 1292 NH2 ARG A 84 13.860 4.140 12.833 1.00 0.00 N ATOM 0 H ARG A 84 10.888 5.836 7.915 1.00 0.00 H new ATOM 0 HA ARG A 84 10.366 6.390 10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.179 8.824 9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.996 7.785 11.204 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.432 7.116 8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.151 7.267 10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.160 5.100 9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.858 4.860 9.663 1.00 0.00 H new ATOM 0 HE ARG A 84 11.697 5.402 11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.199 7.209 12.052 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.126 6.238 13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.284 3.327 12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.614 4.063 13.516 1.00 0.00 H new ATOM 1306 N GLY A 85 8.670 8.163 10.371 1.00 0.00 N ATOM 1307 CA GLY A 85 7.579 9.180 10.429 1.00 0.00 C ATOM 1308 C GLY A 85 6.715 9.096 9.170 1.00 0.00 C ATOM 1309 O GLY A 85 5.531 8.829 9.235 1.00 0.00 O ATOM 0 H GLY A 85 8.572 7.386 11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.964 9.015 11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.006 10.179 10.520 1.00 0.00 H new ATOM 1313 N GLN A 86 7.300 9.330 8.030 1.00 0.00 N ATOM 1314 CA GLN A 86 6.526 9.274 6.752 1.00 0.00 C ATOM 1315 C GLN A 86 5.509 8.142 6.780 1.00 0.00 C ATOM 1316 O GLN A 86 4.324 8.341 6.959 1.00 0.00 O ATOM 1317 CB GLN A 86 7.556 8.954 5.673 1.00 0.00 C ATOM 1318 CG GLN A 86 8.125 10.237 5.083 1.00 0.00 C ATOM 1319 CD GLN A 86 6.988 11.100 4.530 1.00 0.00 C ATOM 1320 OE1 GLN A 86 5.982 10.585 4.085 1.00 0.00 O ATOM 1321 NE2 GLN A 86 7.106 12.400 4.539 1.00 0.00 N ATOM 0 H GLN A 86 8.288 9.560 7.924 1.00 0.00 H new ATOM 0 HA GLN A 86 5.991 10.208 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.361 8.353 6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.094 8.358 4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.674 10.788 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.834 10.001 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.951 12.833 4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.354 12.983 4.172 1.00 0.00 H new ATOM 1330 N MET A 87 5.987 6.953 6.565 1.00 0.00 N ATOM 1331 CA MET A 87 5.101 5.769 6.530 1.00 0.00 C ATOM 1332 C MET A 87 5.113 5.049 7.884 1.00 0.00 C ATOM 1333 O MET A 87 5.186 3.839 7.958 1.00 0.00 O ATOM 1334 CB MET A 87 5.723 4.915 5.429 1.00 0.00 C ATOM 1335 CG MET A 87 4.769 4.840 4.232 1.00 0.00 C ATOM 1336 SD MET A 87 4.192 6.503 3.798 1.00 0.00 S ATOM 1337 CE MET A 87 5.795 7.194 3.315 1.00 0.00 C ATOM 0 H MET A 87 6.975 6.751 6.409 1.00 0.00 H new ATOM 0 HA MET A 87 4.054 6.005 6.339 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.677 5.342 5.120 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.929 3.913 5.805 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.276 4.387 3.380 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.919 4.202 4.473 1.00 0.00 H new ATOM 0 HE1 MET A 87 5.742 8.283 3.333 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.562 6.856 4.012 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.047 6.860 2.309 1.00 0.00 H new ATOM 1347 N GLN A 88 5.029 5.796 8.951 1.00 0.00 N ATOM 1348 CA GLN A 88 5.018 5.182 10.312 1.00 0.00 C ATOM 1349 C GLN A 88 6.010 4.015 10.406 1.00 0.00 C ATOM 1350 O GLN A 88 6.944 3.914 9.636 1.00 0.00 O ATOM 1351 CB GLN A 88 3.584 4.692 10.502 1.00 0.00 C ATOM 1352 CG GLN A 88 2.628 5.885 10.456 1.00 0.00 C ATOM 1353 CD GLN A 88 1.182 5.386 10.427 1.00 0.00 C ATOM 1354 OE1 GLN A 88 0.937 4.207 10.263 1.00 0.00 O ATOM 1355 NE2 GLN A 88 0.208 6.241 10.579 1.00 0.00 N ATOM 0 H GLN A 88 4.967 6.814 8.939 1.00 0.00 H new ATOM 0 HA GLN A 88 5.320 5.892 11.081 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.327 3.976 9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.489 4.173 11.456 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.785 6.523 11.326 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.831 6.492 9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.415 7.230 10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.760 5.920 10.560 1.00 0.00 H new ATOM 1364 N LYS A 89 5.817 3.143 11.363 1.00 0.00 N ATOM 1365 CA LYS A 89 6.746 1.988 11.539 1.00 0.00 C ATOM 1366 C LYS A 89 6.325 0.745 10.724 1.00 0.00 C ATOM 1367 O LYS A 89 7.176 -0.037 10.348 1.00 0.00 O ATOM 1368 CB LYS A 89 6.698 1.677 13.035 1.00 0.00 C ATOM 1369 CG LYS A 89 7.950 0.894 13.433 1.00 0.00 C ATOM 1370 CD LYS A 89 7.739 0.250 14.805 1.00 0.00 C ATOM 1371 CE LYS A 89 8.298 1.170 15.892 1.00 0.00 C ATOM 1372 NZ LYS A 89 7.532 0.822 17.120 1.00 0.00 N ATOM 0 H LYS A 89 5.050 3.183 12.034 1.00 0.00 H new ATOM 0 HA LYS A 89 7.744 2.240 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.637 2.602 13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.804 1.098 13.269 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.163 0.127 12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.813 1.559 13.461 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.677 0.072 14.975 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.235 -0.720 14.844 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.367 1.009 16.034 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.166 2.219 15.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.859 1.412 17.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.519 0.991 16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.683 -0.181 17.351 1.00 0.00 H new ATOM 1386 N PRO A 90 5.043 0.569 10.482 1.00 0.00 N ATOM 1387 CA PRO A 90 4.595 -0.625 9.720 1.00 0.00 C ATOM 1388 C PRO A 90 4.999 -0.520 8.249 1.00 0.00 C ATOM 1389 O PRO A 90 5.806 -1.292 7.771 1.00 0.00 O ATOM 1390 CB PRO A 90 3.079 -0.617 9.883 1.00 0.00 C ATOM 1391 CG PRO A 90 2.729 0.806 10.164 1.00 0.00 C ATOM 1392 CD PRO A 90 3.910 1.423 10.865 1.00 0.00 C ATOM 0 HA PRO A 90 5.046 -1.549 10.080 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.583 -0.975 8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.766 -1.269 10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.509 1.338 9.239 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.836 0.867 10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.065 2.455 10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.769 1.437 11.946 1.00 0.00 H new ATOM 1400 N PHE A 91 4.457 0.416 7.517 1.00 0.00 N ATOM 1401 CA PHE A 91 4.847 0.518 6.084 1.00 0.00 C ATOM 1402 C PHE A 91 6.367 0.568 5.966 1.00 0.00 C ATOM 1403 O PHE A 91 6.975 -0.274 5.341 1.00 0.00 O ATOM 1404 CB PHE A 91 4.232 1.813 5.542 1.00 0.00 C ATOM 1405 CG PHE A 91 4.661 1.973 4.098 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.002 2.238 3.791 1.00 0.00 C ATOM 1407 CD2 PHE A 91 3.732 1.813 3.063 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.412 2.342 2.466 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.147 1.928 1.728 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.487 2.190 1.432 1.00 0.00 C ATOM 0 H PHE A 91 3.775 1.101 7.842 1.00 0.00 H new ATOM 0 HA PHE A 91 4.492 -0.343 5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.145 1.777 5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.562 2.667 6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.721 2.362 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.698 1.601 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.448 2.541 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.430 1.814 0.928 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.807 2.275 0.404 1.00 0.00 H new ATOM 1420 N GLU A 92 6.985 1.558 6.547 1.00 0.00 N ATOM 1421 CA GLU A 92 8.469 1.659 6.448 1.00 0.00 C ATOM 1422 C GLU A 92 9.080 0.283 6.673 1.00 0.00 C ATOM 1423 O GLU A 92 9.767 -0.252 5.827 1.00 0.00 O ATOM 1424 CB GLU A 92 8.886 2.628 7.555 1.00 0.00 C ATOM 1425 CG GLU A 92 9.603 3.832 6.935 1.00 0.00 C ATOM 1426 CD GLU A 92 8.704 5.067 7.022 1.00 0.00 C ATOM 1427 OE1 GLU A 92 7.691 4.994 7.698 1.00 0.00 O ATOM 1428 OE2 GLU A 92 9.044 6.066 6.410 1.00 0.00 O ATOM 0 H GLU A 92 6.531 2.298 7.083 1.00 0.00 H new ATOM 0 HA GLU A 92 8.803 2.011 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.010 2.960 8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.543 2.125 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.542 4.016 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.852 3.623 5.894 1.00 0.00 H new ATOM 1435 N GLU A 93 8.809 -0.303 7.801 1.00 0.00 N ATOM 1436 CA GLU A 93 9.345 -1.660 8.082 1.00 0.00 C ATOM 1437 C GLU A 93 9.072 -2.562 6.877 1.00 0.00 C ATOM 1438 O GLU A 93 9.811 -3.485 6.596 1.00 0.00 O ATOM 1439 CB GLU A 93 8.567 -2.123 9.320 1.00 0.00 C ATOM 1440 CG GLU A 93 8.685 -3.641 9.489 1.00 0.00 C ATOM 1441 CD GLU A 93 7.300 -4.232 9.759 1.00 0.00 C ATOM 1442 OE1 GLU A 93 6.324 -3.552 9.488 1.00 0.00 O ATOM 1443 OE2 GLU A 93 7.240 -5.355 10.231 1.00 0.00 O ATOM 0 H GLU A 93 8.238 0.100 8.543 1.00 0.00 H new ATOM 0 HA GLU A 93 10.421 -1.682 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.952 -1.621 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.518 -1.842 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.113 -4.086 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.359 -3.875 10.313 1.00 0.00 H new ATOM 1450 N ALA A 94 8.018 -2.291 6.157 1.00 0.00 N ATOM 1451 CA ALA A 94 7.692 -3.117 4.960 1.00 0.00 C ATOM 1452 C ALA A 94 8.758 -2.923 3.886 1.00 0.00 C ATOM 1453 O ALA A 94 9.434 -3.852 3.490 1.00 0.00 O ATOM 1454 CB ALA A 94 6.345 -2.589 4.466 1.00 0.00 C ATOM 0 H ALA A 94 7.366 -1.530 6.347 1.00 0.00 H new ATOM 0 HA ALA A 94 7.654 -4.181 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.036 -3.149 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.598 -2.708 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.439 -1.533 4.211 1.00 0.00 H new ATOM 1460 N THR A 95 8.919 -1.720 3.416 1.00 0.00 N ATOM 1461 CA THR A 95 9.947 -1.469 2.373 1.00 0.00 C ATOM 1462 C THR A 95 11.334 -1.667 2.981 1.00 0.00 C ATOM 1463 O THR A 95 12.281 -2.014 2.302 1.00 0.00 O ATOM 1464 CB THR A 95 9.748 -0.016 1.940 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.407 0.171 1.508 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.704 0.307 0.792 1.00 0.00 C ATOM 0 H THR A 95 8.385 -0.902 3.708 1.00 0.00 H new ATOM 0 HA THR A 95 9.857 -2.146 1.524 1.00 0.00 H new ATOM 0 HB THR A 95 9.953 0.646 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.979 0.859 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.564 1.342 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.732 0.164 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.499 -0.355 -0.050 1.00 0.00 H new ATOM 1474 N TYR A 96 11.454 -1.461 4.265 1.00 0.00 N ATOM 1475 CA TYR A 96 12.772 -1.650 4.931 1.00 0.00 C ATOM 1476 C TYR A 96 13.019 -3.145 5.144 1.00 0.00 C ATOM 1477 O TYR A 96 14.143 -3.596 5.242 1.00 0.00 O ATOM 1478 CB TYR A 96 12.646 -0.939 6.279 1.00 0.00 C ATOM 1479 CG TYR A 96 13.182 0.468 6.168 1.00 0.00 C ATOM 1480 CD1 TYR A 96 14.561 0.686 6.062 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.301 1.555 6.178 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.057 1.992 5.964 1.00 0.00 C ATOM 1483 CE2 TYR A 96 12.797 2.860 6.080 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.175 3.078 5.974 1.00 0.00 C ATOM 1485 OH TYR A 96 14.664 4.365 5.876 1.00 0.00 O ATOM 0 H TYR A 96 10.695 -1.170 4.881 1.00 0.00 H new ATOM 0 HA TYR A 96 13.600 -1.255 4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 96 11.602 -0.916 6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.196 -1.488 7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.242 -0.152 6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.237 1.387 6.261 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.120 2.161 5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.116 3.698 6.086 1.00 0.00 H new ATOM 0 HH TYR A 96 15.493 4.361 5.354 1.00 0.00 H new ATOM 1495 N ALA A 97 11.965 -3.911 5.220 1.00 0.00 N ATOM 1496 CA ALA A 97 12.114 -5.379 5.431 1.00 0.00 C ATOM 1497 C ALA A 97 12.270 -6.096 4.087 1.00 0.00 C ATOM 1498 O ALA A 97 13.088 -6.981 3.936 1.00 0.00 O ATOM 1499 CB ALA A 97 10.815 -5.804 6.118 1.00 0.00 C ATOM 0 H ALA A 97 11.003 -3.581 5.145 1.00 0.00 H new ATOM 0 HA ALA A 97 12.995 -5.627 6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.840 -6.876 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.710 -5.268 7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.969 -5.571 5.472 1.00 0.00 H new ATOM 1505 N LEU A 98 11.487 -5.725 3.111 1.00 0.00 N ATOM 1506 CA LEU A 98 11.588 -6.392 1.781 1.00 0.00 C ATOM 1507 C LEU A 98 12.678 -5.735 0.931 1.00 0.00 C ATOM 1508 O LEU A 98 12.754 -4.527 0.825 1.00 0.00 O ATOM 1509 CB LEU A 98 10.217 -6.195 1.133 1.00 0.00 C ATOM 1510 CG LEU A 98 9.978 -7.296 0.100 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.771 -8.136 0.517 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.706 -6.660 -1.265 1.00 0.00 C ATOM 0 H LEU A 98 10.783 -4.990 3.176 1.00 0.00 H new ATOM 0 HA LEU A 98 11.852 -7.446 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.437 -6.220 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.166 -5.216 0.656 1.00 0.00 H new ATOM 0 HG LEU A 98 10.860 -7.934 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.602 -8.921 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.961 -8.588 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.888 -7.499 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.535 -7.443 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.824 -6.023 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.565 -6.060 -1.564 1.00 0.00 H new ATOM 1524 N LYS A 99 13.515 -6.525 0.318 1.00 0.00 N ATOM 1525 CA LYS A 99 14.594 -5.954 -0.537 1.00 0.00 C ATOM 1526 C LYS A 99 14.285 -6.235 -2.009 1.00 0.00 C ATOM 1527 O LYS A 99 14.958 -7.014 -2.655 1.00 0.00 O ATOM 1528 CB LYS A 99 15.871 -6.677 -0.106 1.00 0.00 C ATOM 1529 CG LYS A 99 15.613 -8.184 -0.056 1.00 0.00 C ATOM 1530 CD LYS A 99 16.875 -8.933 -0.489 1.00 0.00 C ATOM 1531 CE LYS A 99 16.740 -10.414 -0.126 1.00 0.00 C ATOM 1532 NZ LYS A 99 17.787 -10.654 0.905 1.00 0.00 N ATOM 0 H LYS A 99 13.499 -7.543 0.372 1.00 0.00 H new ATOM 0 HA LYS A 99 14.689 -4.874 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.679 -6.459 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.191 -6.320 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.329 -8.482 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.781 -8.443 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.025 -8.823 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.750 -8.506 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.746 -10.636 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.892 -11.050 -0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.757 -11.649 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.723 -10.440 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.613 -10.040 1.726 1.00 0.00 H new ATOM 1546 N VAL A 100 13.262 -5.613 -2.535 1.00 0.00 N ATOM 1547 CA VAL A 100 12.883 -5.840 -3.962 1.00 0.00 C ATOM 1548 C VAL A 100 13.058 -7.314 -4.338 1.00 0.00 C ATOM 1549 O VAL A 100 13.298 -7.650 -5.481 1.00 0.00 O ATOM 1550 CB VAL A 100 13.820 -4.950 -4.783 1.00 0.00 C ATOM 1551 CG1 VAL A 100 15.261 -5.441 -4.643 1.00 0.00 C ATOM 1552 CG2 VAL A 100 13.408 -5.007 -6.256 1.00 0.00 C ATOM 0 H VAL A 100 12.668 -4.952 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 100 11.837 -5.595 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 100 13.753 -3.925 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.921 -4.803 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 100 15.558 -5.404 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.333 -6.467 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.073 -4.375 -6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.475 -6.035 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 100 12.383 -4.652 -6.361 1.00 0.00 H new ATOM 1562 N GLY A 101 12.926 -8.198 -3.386 1.00 0.00 N ATOM 1563 CA GLY A 101 13.070 -9.650 -3.688 1.00 0.00 C ATOM 1564 C GLY A 101 11.683 -10.290 -3.732 1.00 0.00 C ATOM 1565 O GLY A 101 11.510 -11.397 -4.203 1.00 0.00 O ATOM 0 H GLY A 101 12.724 -7.976 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.578 -9.787 -4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.684 -10.133 -2.928 1.00 0.00 H new ATOM 1569 N ASP A 102 10.691 -9.596 -3.244 1.00 0.00 N ATOM 1570 CA ASP A 102 9.308 -10.149 -3.252 1.00 0.00 C ATOM 1571 C ASP A 102 8.311 -9.041 -3.613 1.00 0.00 C ATOM 1572 O ASP A 102 8.605 -8.167 -4.404 1.00 0.00 O ATOM 1573 CB ASP A 102 9.079 -10.650 -1.825 1.00 0.00 C ATOM 1574 CG ASP A 102 10.089 -11.754 -1.505 1.00 0.00 C ATOM 1575 OD1 ASP A 102 11.265 -11.443 -1.400 1.00 0.00 O ATOM 1576 OD2 ASP A 102 9.670 -12.891 -1.370 1.00 0.00 O ATOM 0 H ASP A 102 10.780 -8.665 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 102 9.174 -10.946 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.186 -9.828 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.063 -11.030 -1.720 1.00 0.00 H new ATOM 1581 N ILE A 103 7.137 -9.063 -3.042 1.00 0.00 N ATOM 1582 CA ILE A 103 6.139 -8.001 -3.362 1.00 0.00 C ATOM 1583 C ILE A 103 5.501 -7.465 -2.076 1.00 0.00 C ATOM 1584 O ILE A 103 4.295 -7.397 -1.953 1.00 0.00 O ATOM 1585 CB ILE A 103 5.090 -8.688 -4.238 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.740 -9.139 -5.551 1.00 0.00 C ATOM 1587 CG2 ILE A 103 3.956 -7.705 -4.538 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.668 -9.690 -6.495 1.00 0.00 C ATOM 0 H ILE A 103 6.826 -9.766 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 103 6.594 -7.149 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 103 4.688 -9.556 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.255 -8.300 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.491 -9.904 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.207 -8.193 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.496 -7.384 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.356 -6.837 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.134 -10.010 -7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.173 -10.541 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.933 -8.913 -6.704 1.00 0.00 H new ATOM 1600 N SER A 104 6.309 -7.081 -1.123 1.00 0.00 N ATOM 1601 CA SER A 104 5.771 -6.542 0.165 1.00 0.00 C ATOM 1602 C SER A 104 4.509 -7.299 0.588 1.00 0.00 C ATOM 1603 O SER A 104 3.414 -6.990 0.160 1.00 0.00 O ATOM 1604 CB SER A 104 5.447 -5.076 -0.119 1.00 0.00 C ATOM 1605 OG SER A 104 6.401 -4.553 -1.034 1.00 0.00 O ATOM 0 H SER A 104 7.327 -7.117 -1.181 1.00 0.00 H new ATOM 0 HA SER A 104 6.487 -6.653 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.442 -4.987 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.462 -4.502 0.808 1.00 0.00 H new ATOM 0 HG SER A 104 6.047 -4.613 -1.946 1.00 0.00 H new ATOM 1611 N ASP A 105 4.653 -8.287 1.428 1.00 0.00 N ATOM 1612 CA ASP A 105 3.460 -9.061 1.880 1.00 0.00 C ATOM 1613 C ASP A 105 2.359 -8.110 2.357 1.00 0.00 C ATOM 1614 O ASP A 105 2.535 -6.908 2.387 1.00 0.00 O ATOM 1615 CB ASP A 105 3.962 -9.922 3.041 1.00 0.00 C ATOM 1616 CG ASP A 105 4.642 -11.178 2.492 1.00 0.00 C ATOM 1617 OD1 ASP A 105 5.463 -11.042 1.601 1.00 0.00 O ATOM 1618 OD2 ASP A 105 4.329 -12.255 2.973 1.00 0.00 O ATOM 0 H ASP A 105 5.543 -8.592 1.821 1.00 0.00 H new ATOM 0 HA ASP A 105 3.033 -9.664 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 105 4.664 -9.354 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.130 -10.200 3.687 1.00 0.00 H new ATOM 1623 N ILE A 106 1.225 -8.645 2.725 1.00 0.00 N ATOM 1624 CA ILE A 106 0.098 -7.786 3.202 1.00 0.00 C ATOM 1625 C ILE A 106 0.620 -6.613 4.040 1.00 0.00 C ATOM 1626 O ILE A 106 1.381 -6.789 4.971 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.783 -8.704 4.058 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.094 -9.548 5.002 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.600 -9.620 3.142 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.686 -10.775 5.484 1.00 0.00 C ATOM 0 H ILE A 106 1.029 -9.646 2.716 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.454 -7.353 2.368 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.459 -8.097 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.000 -9.863 4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.407 -8.947 5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.228 -10.274 3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.230 -9.015 2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.925 -10.224 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.058 -11.366 6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.579 -10.451 6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.976 -11.382 4.626 1.00 0.00 H new ATOM 1642 N VAL A 107 0.210 -5.416 3.713 1.00 0.00 N ATOM 1643 CA VAL A 107 0.672 -4.224 4.483 1.00 0.00 C ATOM 1644 C VAL A 107 -0.533 -3.515 5.113 1.00 0.00 C ATOM 1645 O VAL A 107 -0.862 -2.399 4.764 1.00 0.00 O ATOM 1646 CB VAL A 107 1.347 -3.325 3.448 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.155 -2.237 4.158 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.285 -4.167 2.579 1.00 0.00 C ATOM 0 H VAL A 107 -0.427 -5.212 2.943 1.00 0.00 H new ATOM 0 HA VAL A 107 1.350 -4.485 5.295 1.00 0.00 H new ATOM 0 HB VAL A 107 0.585 -2.860 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.635 -1.598 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.490 -1.637 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.917 -2.700 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.768 -3.528 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.044 -4.632 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.712 -4.942 2.070 1.00 0.00 H new ATOM 1658 N ASP A 108 -1.199 -4.163 6.033 1.00 0.00 N ATOM 1659 CA ASP A 108 -2.391 -3.537 6.681 1.00 0.00 C ATOM 1660 C ASP A 108 -1.968 -2.475 7.700 1.00 0.00 C ATOM 1661 O ASP A 108 -1.728 -2.767 8.855 1.00 0.00 O ATOM 1662 CB ASP A 108 -3.119 -4.690 7.374 1.00 0.00 C ATOM 1663 CG ASP A 108 -2.135 -5.477 8.242 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -1.415 -6.296 7.695 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -2.121 -5.250 9.441 1.00 0.00 O ATOM 0 H ASP A 108 -0.969 -5.100 6.364 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.025 -3.029 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.931 -4.302 7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.569 -5.348 6.630 1.00 0.00 H new ATOM 1670 N THR A 109 -1.890 -1.241 7.280 1.00 0.00 N ATOM 1671 CA THR A 109 -1.501 -0.150 8.221 1.00 0.00 C ATOM 1672 C THR A 109 -1.950 1.207 7.660 1.00 0.00 C ATOM 1673 O THR A 109 -3.120 1.537 7.698 1.00 0.00 O ATOM 1674 CB THR A 109 0.026 -0.228 8.343 1.00 0.00 C ATOM 1675 OG1 THR A 109 0.520 1.013 8.822 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.653 -0.531 6.981 1.00 0.00 C ATOM 0 H THR A 109 -2.079 -0.940 6.324 1.00 0.00 H new ATOM 0 HA THR A 109 -1.973 -0.259 9.198 1.00 0.00 H new ATOM 0 HB THR A 109 0.287 -1.027 9.037 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.014 1.282 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.737 -0.583 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.277 -1.485 6.611 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.393 0.259 6.277 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.043 1.993 7.136 1.00 0.00 N ATOM 1685 CA ASP A 110 -1.439 3.321 6.573 1.00 0.00 C ATOM 1686 C ASP A 110 -2.763 3.197 5.811 1.00 0.00 C ATOM 1687 O ASP A 110 -2.807 2.680 4.715 1.00 0.00 O ATOM 1688 CB ASP A 110 -0.305 3.696 5.618 1.00 0.00 C ATOM 1689 CG ASP A 110 -0.195 5.219 5.528 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -0.219 5.858 6.567 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -0.089 5.721 4.421 1.00 0.00 O ATOM 0 H ASP A 110 -0.049 1.774 7.074 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.587 4.073 7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.636 3.273 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.493 3.276 4.630 1.00 0.00 H new ATOM 1696 N SER A 111 -3.844 3.650 6.396 1.00 0.00 N ATOM 1697 CA SER A 111 -5.184 3.552 5.725 1.00 0.00 C ATOM 1698 C SER A 111 -5.723 2.119 5.800 1.00 0.00 C ATOM 1699 O SER A 111 -6.883 1.897 6.083 1.00 0.00 O ATOM 1700 CB SER A 111 -4.967 3.962 4.266 1.00 0.00 C ATOM 1701 OG SER A 111 -5.865 5.014 3.936 1.00 0.00 O ATOM 0 H SER A 111 -3.859 4.088 7.317 1.00 0.00 H new ATOM 0 HA SER A 111 -5.914 4.196 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.937 4.287 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.131 3.109 3.608 1.00 0.00 H new ATOM 0 HG SER A 111 -6.545 4.681 3.314 1.00 0.00 H new ATOM 1707 N GLY A 112 -4.894 1.148 5.545 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.357 -0.264 5.595 1.00 0.00 C ATOM 1709 C GLY A 112 -4.377 -1.138 4.812 1.00 0.00 C ATOM 1710 O GLY A 112 -3.227 -0.789 4.635 1.00 0.00 O ATOM 0 H GLY A 112 -3.911 1.273 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.420 -0.603 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.358 -0.347 5.171 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.820 -2.269 4.341 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.909 -3.162 3.569 1.00 0.00 C ATOM 1716 C VAL A 113 -3.249 -2.396 2.422 1.00 0.00 C ATOM 1717 O VAL A 113 -3.885 -1.640 1.712 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.803 -4.283 3.050 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -5.297 -5.119 4.231 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -6.003 -3.683 2.320 1.00 0.00 C ATOM 0 H VAL A 113 -5.773 -2.615 4.456 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.094 -3.550 4.179 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.237 -4.912 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.937 -5.922 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.443 -5.546 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.864 -4.486 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.642 -4.485 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.570 -3.056 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.655 -3.080 1.482 1.00 0.00 H new ATOM 1730 N HIS A 114 -1.967 -2.580 2.253 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.236 -1.859 1.173 1.00 0.00 C ATOM 1732 C HIS A 114 -0.203 -2.780 0.512 1.00 0.00 C ATOM 1733 O HIS A 114 0.134 -3.828 1.027 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.506 -0.729 1.901 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.288 0.548 1.818 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.354 1.302 0.659 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.010 1.238 2.757 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.091 2.395 0.928 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.514 2.406 2.194 1.00 0.00 N ATOM 0 H HIS A 114 -1.392 -3.203 2.821 1.00 0.00 H new ATOM 0 HA HIS A 114 -1.908 -1.507 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.354 -1.001 2.946 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.482 -0.586 1.462 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -0.923 1.071 -0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.164 0.923 3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.313 3.169 0.208 1.00 0.00 H new ATOM 1747 N ILE A 115 0.329 -2.371 -0.606 1.00 0.00 N ATOM 1748 CA ILE A 115 1.377 -3.186 -1.289 1.00 0.00 C ATOM 1749 C ILE A 115 2.558 -2.259 -1.582 1.00 0.00 C ATOM 1750 O ILE A 115 2.405 -1.056 -1.579 1.00 0.00 O ATOM 1751 CB ILE A 115 0.739 -3.743 -2.582 1.00 0.00 C ATOM 1752 CG1 ILE A 115 1.052 -2.832 -3.777 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.780 -3.857 -2.418 1.00 0.00 C ATOM 1754 CD1 ILE A 115 0.339 -3.362 -5.023 1.00 0.00 C ATOM 0 H ILE A 115 0.082 -1.502 -1.080 1.00 0.00 H new ATOM 0 HA ILE A 115 1.738 -4.020 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 115 1.160 -4.731 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.728 -1.813 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 115 2.128 -2.796 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.217 -4.251 -3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -1.007 -4.529 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.198 -2.872 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.561 -2.715 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.684 -4.373 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.737 -3.375 -4.849 1.00 0.00 H new ATOM 1766 N ILE A 116 3.731 -2.781 -1.810 1.00 0.00 N ATOM 1767 CA ILE A 116 4.883 -1.869 -2.066 1.00 0.00 C ATOM 1768 C ILE A 116 5.871 -2.465 -3.073 1.00 0.00 C ATOM 1769 O ILE A 116 5.901 -3.655 -3.315 1.00 0.00 O ATOM 1770 CB ILE A 116 5.548 -1.707 -0.695 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.827 -0.623 0.102 1.00 0.00 C ATOM 1772 CG2 ILE A 116 7.018 -1.306 -0.860 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.396 -1.193 1.452 1.00 0.00 C ATOM 0 H ILE A 116 3.941 -3.779 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 116 4.559 -0.922 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 116 5.490 -2.659 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.484 0.234 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.957 -0.267 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.477 -1.195 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.545 -2.078 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.079 -0.360 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.881 -0.422 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.725 -2.037 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.275 -1.528 2.003 1.00 0.00 H new ATOM 1785 N LYS A 117 6.695 -1.624 -3.637 1.00 0.00 N ATOM 1786 CA LYS A 117 7.719 -2.096 -4.614 1.00 0.00 C ATOM 1787 C LYS A 117 8.941 -1.174 -4.547 1.00 0.00 C ATOM 1788 O LYS A 117 8.821 0.002 -4.266 1.00 0.00 O ATOM 1789 CB LYS A 117 7.046 -2.009 -5.983 1.00 0.00 C ATOM 1790 CG LYS A 117 7.604 -3.107 -6.890 1.00 0.00 C ATOM 1791 CD LYS A 117 6.453 -3.810 -7.610 1.00 0.00 C ATOM 1792 CE LYS A 117 6.300 -3.226 -9.017 1.00 0.00 C ATOM 1793 NZ LYS A 117 7.075 -4.139 -9.902 1.00 0.00 N ATOM 0 H LYS A 117 6.703 -0.619 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 117 8.062 -3.110 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.967 -2.121 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.223 -1.029 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.293 -2.677 -7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.171 -3.827 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 117 6.646 -4.881 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.527 -3.683 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.252 -3.184 -9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.686 -2.208 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.017 -3.803 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.070 -4.154 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.680 -5.099 -9.841 1.00 0.00 H new ATOM 1807 N ARG A 118 10.116 -1.690 -4.787 1.00 0.00 N ATOM 1808 CA ARG A 118 11.329 -0.822 -4.716 1.00 0.00 C ATOM 1809 C ARG A 118 12.505 -1.472 -5.453 1.00 0.00 C ATOM 1810 O ARG A 118 12.509 -2.658 -5.714 1.00 0.00 O ATOM 1811 CB ARG A 118 11.631 -0.708 -3.222 1.00 0.00 C ATOM 1812 CG ARG A 118 12.804 0.249 -3.001 1.00 0.00 C ATOM 1813 CD ARG A 118 13.337 0.076 -1.577 1.00 0.00 C ATOM 1814 NE ARG A 118 14.562 0.919 -1.518 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.689 0.465 -1.991 1.00 0.00 C ATOM 1816 NH1 ARG A 118 16.301 -0.518 -1.389 1.00 0.00 N ATOM 1817 NH2 ARG A 118 16.203 0.992 -3.068 1.00 0.00 N ATOM 0 H ARG A 118 10.289 -2.666 -5.027 1.00 0.00 H new ATOM 0 HA ARG A 118 11.170 0.149 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.751 -0.347 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.869 -1.690 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.594 0.047 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.483 1.279 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.602 0.396 -0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.566 -0.968 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 118 14.520 1.852 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.898 -0.931 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 118 17.183 -0.873 -1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.723 1.759 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.085 0.637 -3.439 1.00 0.00 H new ATOM 1831 N THR A 119 13.507 -0.700 -5.782 1.00 0.00 N ATOM 1832 CA THR A 119 14.690 -1.266 -6.494 1.00 0.00 C ATOM 1833 C THR A 119 14.253 -2.002 -7.764 1.00 0.00 C ATOM 1834 O THR A 119 13.226 -1.708 -8.342 1.00 0.00 O ATOM 1835 CB THR A 119 15.328 -2.239 -5.497 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.782 -2.019 -4.203 1.00 0.00 O ATOM 1837 CG2 THR A 119 16.840 -2.014 -5.457 1.00 0.00 C ATOM 0 H THR A 119 13.557 0.300 -5.588 1.00 0.00 H new ATOM 0 HA THR A 119 15.388 -0.490 -6.809 1.00 0.00 H new ATOM 0 HB THR A 119 15.122 -3.263 -5.809 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.189 -2.643 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 119 17.292 -2.707 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 119 17.260 -2.185 -6.448 1.00 0.00 H new ATOM 0 HG23 THR A 119 17.047 -0.990 -5.147 1.00 0.00 H new ATOM 1845 N ALA A 120 15.031 -2.955 -8.203 1.00 0.00 N ATOM 1846 CA ALA A 120 14.672 -3.712 -9.438 1.00 0.00 C ATOM 1847 C ALA A 120 14.799 -2.808 -10.668 1.00 0.00 C ATOM 1848 O ALA A 120 15.554 -1.852 -10.601 1.00 0.00 O ATOM 1849 CB ALA A 120 13.218 -4.147 -9.244 1.00 0.00 C ATOM 1850 OXT ALA A 120 14.139 -3.088 -11.655 1.00 0.00 O ATOM 0 H ALA A 120 15.903 -3.243 -7.758 1.00 0.00 H new ATOM 0 HA ALA A 120 15.330 -4.566 -9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 120 12.887 -4.710 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 120 13.141 -4.775 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 120 12.588 -3.266 -9.121 1.00 0.00 H new TER 1856 ALA A 120