USER MOD reduce.3.24.130724 H: found=0, std=0, add=1169, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1170 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 4 SER OG : rot -29:sc= -0.706! USER MOD Set 1.2: A 63 LYS NZ :NH3+ -134:sc= 0.93 (180deg=-0.723) USER MOD Single : A 1 MET CE :methyl -174:sc= -1.66 (180deg=-1.85) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.26 (180deg=-0.32) USER MOD Single : A 2 LYS NZ :NH3+ 135:sc= 0.443 (180deg=-1.64!) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.317 (180deg=-0.465!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=-0.12) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -179:sc= -0.791 (180deg=-0.811) USER MOD Single : A 42 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.7!) USER MOD Single : A 52 CYS SG : rot -150:sc= -1.08 USER MOD Single : A 53 LYS NZ :NH3+ -135:sc= 0.551 (180deg=-1.53!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0.698 USER MOD Single : A 91 THR OG1 : rot -100:sc= 0.68 USER MOD Single : A 92 LYS NZ :NH3+ -116:sc= 1.21 (180deg=-0.27) USER MOD Single : A 94 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.58) USER MOD Single : A 103 MET CE :methyl -108:sc= -0.401 (180deg=-2.13!) USER MOD Single : A 104 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.847) USER MOD Single : A 105 ASN : amide:sc= 0.581 K(o=0.58,f=-0.15) USER MOD Single : A 110 SER OG : rot 32:sc= 0.181 USER MOD Single : A 112 LYS NZ :NH3+ -164:sc= 1.32 (180deg=0.794) USER MOD Single : A 113 LYS NZ :NH3+ 132:sc= 1.35 (180deg=0.335) USER MOD Single : A 115 GLN : amide:sc= -2.02 K(o=-2,f=-5!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 60:sc= -0.46 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot -20:sc= 0.535 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.197 -7.942 0.666 1.00 70.22 N ATOM 2 CA MET A 1 2.566 -6.791 -0.031 1.00 11.12 C ATOM 3 C MET A 1 3.633 -5.951 -0.768 1.00 70.20 C ATOM 4 O MET A 1 4.712 -5.714 -0.238 1.00 20.13 O ATOM 5 CB MET A 1 1.782 -5.950 0.995 1.00 61.13 C ATOM 6 CG MET A 1 1.005 -4.783 0.399 1.00 13.42 C ATOM 7 SD MET A 1 2.051 -3.372 0.013 1.00 60.13 S ATOM 8 CE MET A 1 2.543 -2.864 1.661 1.00 74.21 C ATOM 0 H1 MET A 1 2.461 -8.514 1.127 1.00 70.22 H new ATOM 0 H2 MET A 1 3.709 -8.528 -0.024 1.00 70.22 H new ATOM 0 H3 MET A 1 3.863 -7.591 1.383 1.00 70.22 H new ATOM 0 HA MET A 1 1.869 -7.153 -0.787 1.00 11.12 H new ATOM 0 HB2 MET A 1 1.085 -6.602 1.522 1.00 61.13 H new ATOM 0 HB3 MET A 1 2.480 -5.563 1.737 1.00 61.13 H new ATOM 0 HG2 MET A 1 0.501 -5.114 -0.509 1.00 13.42 H new ATOM 0 HG3 MET A 1 0.230 -4.473 1.100 1.00 13.42 H new ATOM 0 HE1 MET A 1 3.109 -1.935 1.601 1.00 74.21 H new ATOM 0 HE2 MET A 1 1.655 -2.709 2.274 1.00 74.21 H new ATOM 0 HE3 MET A 1 3.164 -3.639 2.110 1.00 74.21 H new ATOM 20 N LYS A 2 3.329 -5.519 -1.996 1.00 22.23 N ATOM 21 CA LYS A 2 4.315 -4.816 -2.846 1.00 33.15 C ATOM 22 C LYS A 2 4.436 -3.325 -2.490 1.00 21.03 C ATOM 23 O LYS A 2 3.430 -2.643 -2.322 1.00 73.13 O ATOM 24 CB LYS A 2 3.908 -4.906 -4.326 1.00 21.44 C ATOM 25 CG LYS A 2 3.526 -6.299 -4.811 1.00 51.44 C ATOM 26 CD LYS A 2 3.201 -6.303 -6.307 1.00 4.22 C ATOM 27 CE LYS A 2 2.125 -5.278 -6.669 1.00 43.14 C ATOM 28 NZ LYS A 2 1.894 -5.204 -8.135 1.00 20.42 N ATOM 0 H LYS A 2 2.413 -5.640 -2.429 1.00 22.23 H new ATOM 0 HA LYS A 2 5.273 -5.306 -2.670 1.00 33.15 H new ATOM 0 HB2 LYS A 2 3.065 -4.236 -4.496 1.00 21.44 H new ATOM 0 HB3 LYS A 2 4.734 -4.540 -4.936 1.00 21.44 H new ATOM 0 HG2 LYS A 2 4.345 -6.991 -4.614 1.00 51.44 H new ATOM 0 HG3 LYS A 2 2.663 -6.657 -4.249 1.00 51.44 H new ATOM 0 HD2 LYS A 2 4.107 -6.091 -6.874 1.00 4.22 H new ATOM 0 HD3 LYS A 2 2.866 -7.298 -6.601 1.00 4.22 H new ATOM 0 HE2 LYS A 2 1.193 -5.540 -6.168 1.00 43.14 H new ATOM 0 HE3 LYS A 2 2.421 -4.296 -6.299 1.00 43.14 H new ATOM 0 HZ1 LYS A 2 0.872 -5.191 -8.325 1.00 20.42 H new ATOM 0 HZ2 LYS A 2 2.327 -4.337 -8.511 1.00 20.42 H new ATOM 0 HZ3 LYS A 2 2.321 -6.032 -8.596 1.00 20.42 H new ATOM 42 N LEU A 3 5.661 -2.800 -2.436 1.00 13.55 N ATOM 43 CA LEU A 3 5.856 -1.348 -2.255 1.00 73.21 C ATOM 44 C LEU A 3 5.278 -0.559 -3.448 1.00 31.42 C ATOM 45 O LEU A 3 5.035 0.643 -3.356 1.00 22.31 O ATOM 46 CB LEU A 3 7.344 -0.988 -2.045 1.00 13.20 C ATOM 47 CG LEU A 3 8.284 -1.184 -3.254 1.00 5.41 C ATOM 48 CD1 LEU A 3 9.625 -0.497 -3.007 1.00 44.51 C ATOM 49 CD2 LEU A 3 8.502 -2.666 -3.561 1.00 43.24 C ATOM 0 H LEU A 3 6.523 -3.341 -2.513 1.00 13.55 H new ATOM 0 HA LEU A 3 5.314 -1.064 -1.353 1.00 73.21 H new ATOM 0 HB2 LEU A 3 7.401 0.056 -1.736 1.00 13.20 H new ATOM 0 HB3 LEU A 3 7.725 -1.587 -1.218 1.00 13.20 H new ATOM 0 HG LEU A 3 7.805 -0.727 -4.120 1.00 5.41 H new ATOM 0 HD11 LEU A 3 10.274 -0.646 -3.870 1.00 44.51 H new ATOM 0 HD12 LEU A 3 9.464 0.570 -2.854 1.00 44.51 H new ATOM 0 HD13 LEU A 3 10.095 -0.924 -2.121 1.00 44.51 H new ATOM 0 HD21 LEU A 3 9.169 -2.766 -4.418 1.00 43.24 H new ATOM 0 HD22 LEU A 3 8.948 -3.155 -2.695 1.00 43.24 H new ATOM 0 HD23 LEU A 3 7.545 -3.135 -3.789 1.00 43.24 H new ATOM 61 N SER A 4 5.041 -1.260 -4.563 1.00 21.10 N ATOM 62 CA SER A 4 4.448 -0.655 -5.770 1.00 12.14 C ATOM 63 C SER A 4 2.992 -0.202 -5.550 1.00 22.11 C ATOM 64 O SER A 4 2.407 0.449 -6.416 1.00 75.13 O ATOM 65 CB SER A 4 4.495 -1.652 -6.939 1.00 42.14 C ATOM 66 OG SER A 4 3.912 -1.110 -8.115 1.00 11.32 O ATOM 0 H SER A 4 5.251 -2.254 -4.658 1.00 21.10 H new ATOM 0 HA SER A 4 5.041 0.230 -6.002 1.00 12.14 H new ATOM 0 HB2 SER A 4 5.530 -1.929 -7.140 1.00 42.14 H new ATOM 0 HB3 SER A 4 3.969 -2.565 -6.660 1.00 42.14 H new ATOM 0 HG SER A 4 3.221 -0.460 -7.868 1.00 11.32 H new ATOM 72 N ARG A 5 2.402 -0.571 -4.412 1.00 74.31 N ATOM 73 CA ARG A 5 1.032 -0.148 -4.073 1.00 21.02 C ATOM 74 C ARG A 5 0.994 0.609 -2.731 1.00 54.53 C ATOM 75 O ARG A 5 -0.079 0.902 -2.206 1.00 71.44 O ATOM 76 CB ARG A 5 0.089 -1.372 -4.034 1.00 13.45 C ATOM 77 CG ARG A 5 0.526 -2.468 -3.059 1.00 10.21 C ATOM 78 CD ARG A 5 -0.263 -3.771 -3.234 1.00 30.45 C ATOM 79 NE ARG A 5 -1.660 -3.680 -2.787 1.00 12.24 N ATOM 80 CZ ARG A 5 -2.360 -4.697 -2.331 1.00 40.51 C ATOM 81 NH1 ARG A 5 -1.830 -5.875 -2.220 1.00 50.54 N ATOM 82 NH2 ARG A 5 -3.594 -4.535 -1.987 1.00 72.11 N ATOM 0 H ARG A 5 2.846 -1.160 -3.708 1.00 74.31 H new ATOM 0 HA ARG A 5 0.688 0.537 -4.848 1.00 21.02 H new ATOM 0 HB2 ARG A 5 -0.912 -1.037 -3.762 1.00 13.45 H new ATOM 0 HB3 ARG A 5 0.022 -1.797 -5.035 1.00 13.45 H new ATOM 0 HG2 ARG A 5 1.588 -2.670 -3.200 1.00 10.21 H new ATOM 0 HG3 ARG A 5 0.403 -2.109 -2.037 1.00 10.21 H new ATOM 0 HD2 ARG A 5 -0.245 -4.058 -4.285 1.00 30.45 H new ATOM 0 HD3 ARG A 5 0.236 -4.565 -2.678 1.00 30.45 H new ATOM 0 HE ARG A 5 -2.117 -2.769 -2.833 1.00 12.24 H new ATOM 0 HH11 ARG A 5 -0.857 -6.024 -2.488 1.00 50.54 H new ATOM 0 HH12 ARG A 5 -2.386 -6.653 -1.865 1.00 50.54 H new ATOM 0 HH21 ARG A 5 -4.030 -3.616 -2.068 1.00 72.11 H new ATOM 0 HH22 ARG A 5 -4.133 -5.326 -1.634 1.00 72.11 H new ATOM 96 N LEU A 6 2.176 0.945 -2.204 1.00 3.12 N ATOM 97 CA LEU A 6 2.304 1.583 -0.884 1.00 3.15 C ATOM 98 C LEU A 6 2.117 3.113 -0.965 1.00 73.23 C ATOM 99 O LEU A 6 2.383 3.734 -1.996 1.00 22.14 O ATOM 100 CB LEU A 6 3.678 1.235 -0.280 1.00 1.32 C ATOM 101 CG LEU A 6 3.930 1.722 1.163 1.00 50.24 C ATOM 102 CD1 LEU A 6 2.889 1.155 2.125 1.00 74.54 C ATOM 103 CD2 LEU A 6 5.337 1.348 1.625 1.00 72.35 C ATOM 0 H LEU A 6 3.067 0.785 -2.674 1.00 3.12 H new ATOM 0 HA LEU A 6 1.513 1.199 -0.239 1.00 3.15 H new ATOM 0 HB2 LEU A 6 3.798 0.152 -0.302 1.00 1.32 H new ATOM 0 HB3 LEU A 6 4.451 1.654 -0.923 1.00 1.32 H new ATOM 0 HG LEU A 6 3.841 2.808 1.166 1.00 50.24 H new ATOM 0 HD11 LEU A 6 3.092 1.515 3.134 1.00 74.54 H new ATOM 0 HD12 LEU A 6 1.895 1.479 1.817 1.00 74.54 H new ATOM 0 HD13 LEU A 6 2.936 0.066 2.112 1.00 74.54 H new ATOM 0 HD21 LEU A 6 5.491 1.702 2.644 1.00 72.35 H new ATOM 0 HD22 LEU A 6 5.454 0.265 1.595 1.00 72.35 H new ATOM 0 HD23 LEU A 6 6.071 1.810 0.966 1.00 72.35 H new ATOM 115 N VAL A 7 1.654 3.713 0.134 1.00 41.42 N ATOM 116 CA VAL A 7 1.377 5.154 0.186 1.00 31.42 C ATOM 117 C VAL A 7 2.560 5.940 0.787 1.00 43.10 C ATOM 118 O VAL A 7 3.102 5.557 1.827 1.00 75.11 O ATOM 119 CB VAL A 7 0.103 5.432 1.026 1.00 30.50 C ATOM 120 CG1 VAL A 7 -0.231 6.925 1.049 1.00 32.43 C ATOM 121 CG2 VAL A 7 -1.077 4.616 0.500 1.00 53.10 C ATOM 0 H VAL A 7 1.461 3.221 1.006 1.00 41.42 H new ATOM 0 HA VAL A 7 1.223 5.489 -0.840 1.00 31.42 H new ATOM 0 HB VAL A 7 0.302 5.123 2.052 1.00 30.50 H new ATOM 0 HG11 VAL A 7 -1.129 7.088 1.645 1.00 32.43 H new ATOM 0 HG12 VAL A 7 0.601 7.477 1.487 1.00 32.43 H new ATOM 0 HG13 VAL A 7 -0.403 7.275 0.031 1.00 32.43 H new ATOM 0 HG21 VAL A 7 -1.961 4.825 1.102 1.00 53.10 H new ATOM 0 HG22 VAL A 7 -1.273 4.886 -0.538 1.00 53.10 H new ATOM 0 HG23 VAL A 7 -0.840 3.554 0.560 1.00 53.10 H new ATOM 131 N PRO A 8 2.985 7.047 0.137 1.00 31.32 N ATOM 132 CA PRO A 8 4.064 7.907 0.657 1.00 63.23 C ATOM 133 C PRO A 8 3.801 8.404 2.088 1.00 40.11 C ATOM 134 O PRO A 8 2.731 8.942 2.388 1.00 31.14 O ATOM 135 CB PRO A 8 4.092 9.085 -0.331 1.00 65.42 C ATOM 136 CG PRO A 8 3.517 8.532 -1.590 1.00 30.53 C ATOM 137 CD PRO A 8 2.472 7.537 -1.159 1.00 34.31 C ATOM 0 HA PRO A 8 5.008 7.367 0.726 1.00 63.23 H new ATOM 0 HB2 PRO A 8 3.504 9.926 0.038 1.00 65.42 H new ATOM 0 HB3 PRO A 8 5.108 9.449 -0.485 1.00 65.42 H new ATOM 0 HG2 PRO A 8 3.078 9.322 -2.200 1.00 30.53 H new ATOM 0 HG3 PRO A 8 4.287 8.053 -2.195 1.00 30.53 H new ATOM 0 HD2 PRO A 8 1.492 8.003 -1.054 1.00 34.31 H new ATOM 0 HD3 PRO A 8 2.365 6.728 -1.881 1.00 34.31 H new ATOM 145 N GLY A 9 4.783 8.225 2.969 1.00 40.11 N ATOM 146 CA GLY A 9 4.636 8.642 4.360 1.00 2.53 C ATOM 147 C GLY A 9 4.253 7.502 5.298 1.00 42.14 C ATOM 148 O GLY A 9 4.293 7.662 6.521 1.00 54.11 O ATOM 0 H GLY A 9 5.682 7.797 2.746 1.00 40.11 H new ATOM 0 HA2 GLY A 9 5.573 9.083 4.700 1.00 2.53 H new ATOM 0 HA3 GLY A 9 3.877 9.422 4.419 1.00 2.53 H new ATOM 152 N VAL A 10 3.866 6.359 4.733 1.00 35.12 N ATOM 153 CA VAL A 10 3.516 5.175 5.529 1.00 3.42 C ATOM 154 C VAL A 10 4.757 4.301 5.807 1.00 31.35 C ATOM 155 O VAL A 10 5.423 3.843 4.876 1.00 21.15 O ATOM 156 CB VAL A 10 2.434 4.319 4.817 1.00 23.33 C ATOM 157 CG1 VAL A 10 2.101 3.060 5.623 1.00 12.14 C ATOM 158 CG2 VAL A 10 1.175 5.150 4.567 1.00 31.35 C ATOM 0 H VAL A 10 3.786 6.224 3.725 1.00 35.12 H new ATOM 0 HA VAL A 10 3.117 5.535 6.477 1.00 3.42 H new ATOM 0 HB VAL A 10 2.836 4.000 3.856 1.00 23.33 H new ATOM 0 HG11 VAL A 10 1.340 2.482 5.098 1.00 12.14 H new ATOM 0 HG12 VAL A 10 3.000 2.455 5.740 1.00 12.14 H new ATOM 0 HG13 VAL A 10 1.725 3.346 6.606 1.00 12.14 H new ATOM 0 HG21 VAL A 10 0.426 4.535 4.067 1.00 31.35 H new ATOM 0 HG22 VAL A 10 0.778 5.504 5.518 1.00 31.35 H new ATOM 0 HG23 VAL A 10 1.422 6.004 3.937 1.00 31.35 H new ATOM 168 N PRO A 11 5.088 4.065 7.096 1.00 41.20 N ATOM 169 CA PRO A 11 6.253 3.247 7.482 1.00 72.11 C ATOM 170 C PRO A 11 6.044 1.740 7.233 1.00 24.41 C ATOM 171 O PRO A 11 5.029 1.160 7.636 1.00 25.05 O ATOM 172 CB PRO A 11 6.395 3.536 8.982 1.00 54.30 C ATOM 173 CG PRO A 11 5.013 3.865 9.434 1.00 25.44 C ATOM 174 CD PRO A 11 4.359 4.578 8.275 1.00 52.43 C ATOM 0 HA PRO A 11 7.136 3.496 6.894 1.00 72.11 H new ATOM 0 HB2 PRO A 11 6.792 2.673 9.516 1.00 54.30 H new ATOM 0 HB3 PRO A 11 7.079 4.365 9.163 1.00 54.30 H new ATOM 0 HG2 PRO A 11 4.463 2.962 9.698 1.00 25.44 H new ATOM 0 HG3 PRO A 11 5.032 4.498 10.321 1.00 25.44 H new ATOM 0 HD2 PRO A 11 3.294 4.355 8.216 1.00 52.43 H new ATOM 0 HD3 PRO A 11 4.453 5.660 8.365 1.00 52.43 H new ATOM 182 N ALA A 12 7.016 1.109 6.575 1.00 23.31 N ATOM 183 CA ALA A 12 6.956 -0.325 6.273 1.00 42.03 C ATOM 184 C ALA A 12 8.297 -1.025 6.563 1.00 52.21 C ATOM 185 O ALA A 12 9.263 -0.393 6.991 1.00 14.15 O ATOM 186 CB ALA A 12 6.544 -0.535 4.818 1.00 34.42 C ATOM 0 H ALA A 12 7.861 1.570 6.238 1.00 23.31 H new ATOM 0 HA ALA A 12 6.207 -0.775 6.925 1.00 42.03 H new ATOM 0 HB1 ALA A 12 6.502 -1.603 4.602 1.00 34.42 H new ATOM 0 HB2 ALA A 12 5.562 -0.092 4.650 1.00 34.42 H new ATOM 0 HB3 ALA A 12 7.273 -0.061 4.161 1.00 34.42 H new ATOM 192 N ARG A 13 8.340 -2.338 6.342 1.00 3.22 N ATOM 193 CA ARG A 13 9.559 -3.135 6.542 1.00 64.14 C ATOM 194 C ARG A 13 9.728 -4.169 5.412 1.00 54.43 C ATOM 195 O ARG A 13 8.753 -4.772 4.967 1.00 62.21 O ATOM 196 CB ARG A 13 9.497 -3.835 7.911 1.00 24.35 C ATOM 197 CG ARG A 13 10.739 -4.649 8.264 1.00 12.12 C ATOM 198 CD ARG A 13 10.638 -5.258 9.662 1.00 32.43 C ATOM 199 NE ARG A 13 10.526 -4.234 10.706 1.00 32.23 N ATOM 200 CZ ARG A 13 9.542 -4.157 11.566 1.00 51.53 C ATOM 201 NH1 ARG A 13 8.587 -5.033 11.558 1.00 23.11 N ATOM 202 NH2 ARG A 13 9.521 -3.202 12.439 1.00 60.10 N ATOM 0 H ARG A 13 7.538 -2.881 6.021 1.00 3.22 H new ATOM 0 HA ARG A 13 10.423 -2.471 6.519 1.00 64.14 H new ATOM 0 HB2 ARG A 13 9.341 -3.082 8.683 1.00 24.35 H new ATOM 0 HB3 ARG A 13 8.629 -4.494 7.929 1.00 24.35 H new ATOM 0 HG2 ARG A 13 10.874 -5.443 7.530 1.00 12.12 H new ATOM 0 HG3 ARG A 13 11.621 -4.010 8.208 1.00 12.12 H new ATOM 0 HD2 ARG A 13 9.771 -5.917 9.707 1.00 32.43 H new ATOM 0 HD3 ARG A 13 11.517 -5.874 9.852 1.00 32.43 H new ATOM 0 HE ARG A 13 11.265 -3.534 10.766 1.00 32.23 H new ATOM 0 HH11 ARG A 13 8.597 -5.792 10.877 1.00 23.11 H new ATOM 0 HH12 ARG A 13 7.825 -4.963 12.233 1.00 23.11 H new ATOM 0 HH21 ARG A 13 10.271 -2.510 12.456 1.00 60.10 H new ATOM 0 HH22 ARG A 13 8.755 -3.141 13.110 1.00 60.10 H new ATOM 216 N ILE A 14 10.965 -4.363 4.953 1.00 64.22 N ATOM 217 CA ILE A 14 11.257 -5.299 3.854 1.00 3.11 C ATOM 218 C ILE A 14 11.031 -6.762 4.281 1.00 31.51 C ATOM 219 O ILE A 14 11.483 -7.184 5.348 1.00 35.43 O ATOM 220 CB ILE A 14 12.718 -5.144 3.351 1.00 31.44 C ATOM 221 CG1 ILE A 14 13.013 -3.685 2.952 1.00 21.33 C ATOM 222 CG2 ILE A 14 12.988 -6.086 2.173 1.00 44.14 C ATOM 223 CD1 ILE A 14 12.208 -3.194 1.765 1.00 65.30 C ATOM 0 H ILE A 14 11.787 -3.885 5.323 1.00 64.22 H new ATOM 0 HA ILE A 14 10.569 -5.051 3.046 1.00 3.11 H new ATOM 0 HB ILE A 14 13.385 -5.414 4.170 1.00 31.44 H new ATOM 0 HG12 ILE A 14 12.812 -3.038 3.806 1.00 21.33 H new ATOM 0 HG13 ILE A 14 14.074 -3.590 2.722 1.00 21.33 H new ATOM 0 HG21 ILE A 14 14.017 -5.961 1.836 1.00 44.14 H new ATOM 0 HG22 ILE A 14 12.832 -7.118 2.489 1.00 44.14 H new ATOM 0 HG23 ILE A 14 12.307 -5.850 1.355 1.00 44.14 H new ATOM 0 HD11 ILE A 14 12.474 -2.159 1.548 1.00 65.30 H new ATOM 0 HD12 ILE A 14 12.426 -3.815 0.896 1.00 65.30 H new ATOM 0 HD13 ILE A 14 11.145 -3.254 1.997 1.00 65.30 H new ATOM 235 N LYS A 15 10.338 -7.531 3.436 1.00 52.42 N ATOM 236 CA LYS A 15 10.022 -8.938 3.738 1.00 44.42 C ATOM 237 C LYS A 15 10.698 -9.916 2.760 1.00 15.55 C ATOM 238 O LYS A 15 11.457 -10.796 3.173 1.00 40.13 O ATOM 239 CB LYS A 15 8.500 -9.156 3.714 1.00 1.24 C ATOM 240 CG LYS A 15 7.737 -8.356 4.767 1.00 35.54 C ATOM 241 CD LYS A 15 8.132 -8.744 6.193 1.00 51.43 C ATOM 242 CE LYS A 15 7.776 -10.197 6.514 1.00 71.30 C ATOM 243 NZ LYS A 15 6.310 -10.446 6.448 1.00 42.03 N ATOM 0 H LYS A 15 9.983 -7.207 2.536 1.00 52.42 H new ATOM 0 HA LYS A 15 10.413 -9.145 4.734 1.00 44.42 H new ATOM 0 HB2 LYS A 15 8.122 -8.890 2.727 1.00 1.24 H new ATOM 0 HB3 LYS A 15 8.294 -10.216 3.859 1.00 1.24 H new ATOM 0 HG2 LYS A 15 7.924 -7.293 4.618 1.00 35.54 H new ATOM 0 HG3 LYS A 15 6.667 -8.513 4.634 1.00 35.54 H new ATOM 0 HD2 LYS A 15 9.204 -8.596 6.325 1.00 51.43 H new ATOM 0 HD3 LYS A 15 7.630 -8.084 6.900 1.00 51.43 H new ATOM 0 HE2 LYS A 15 8.287 -10.857 5.813 1.00 71.30 H new ATOM 0 HE3 LYS A 15 8.140 -10.447 7.510 1.00 71.30 H new ATOM 0 HZ1 LYS A 15 6.135 -11.468 6.367 1.00 42.03 H new ATOM 0 HZ2 LYS A 15 5.857 -10.084 7.311 1.00 42.03 H new ATOM 0 HZ3 LYS A 15 5.912 -9.960 5.619 1.00 42.03 H new ATOM 257 N ARG A 16 10.422 -9.771 1.462 1.00 54.51 N ATOM 258 CA ARG A 16 10.926 -10.729 0.466 1.00 3.03 C ATOM 259 C ARG A 16 11.498 -10.031 -0.776 1.00 2.01 C ATOM 260 O ARG A 16 11.222 -8.856 -1.035 1.00 50.32 O ATOM 261 CB ARG A 16 9.803 -11.708 0.048 1.00 20.45 C ATOM 262 CG ARG A 16 9.200 -11.432 -1.332 1.00 71.11 C ATOM 263 CD ARG A 16 8.107 -12.430 -1.699 1.00 20.45 C ATOM 264 NE ARG A 16 6.892 -12.231 -0.923 1.00 4.35 N ATOM 265 CZ ARG A 16 5.787 -12.897 -1.100 1.00 52.50 C ATOM 266 NH1 ARG A 16 5.719 -13.869 -1.954 1.00 53.41 N ATOM 267 NH2 ARG A 16 4.746 -12.592 -0.409 1.00 55.23 N ATOM 0 H ARG A 16 9.861 -9.012 1.076 1.00 54.51 H new ATOM 0 HA ARG A 16 11.739 -11.282 0.936 1.00 3.03 H new ATOM 0 HB2 ARG A 16 10.200 -12.723 0.060 1.00 20.45 H new ATOM 0 HB3 ARG A 16 9.008 -11.668 0.792 1.00 20.45 H new ATOM 0 HG2 ARG A 16 8.788 -10.423 -1.350 1.00 71.11 H new ATOM 0 HG3 ARG A 16 9.988 -11.468 -2.084 1.00 71.11 H new ATOM 0 HD2 ARG A 16 7.876 -12.338 -2.760 1.00 20.45 H new ATOM 0 HD3 ARG A 16 8.475 -13.443 -1.539 1.00 20.45 H new ATOM 0 HE ARG A 16 6.907 -11.521 -0.190 1.00 4.35 H new ATOM 0 HH11 ARG A 16 6.540 -14.125 -2.502 1.00 53.41 H new ATOM 0 HH12 ARG A 16 4.844 -14.379 -2.078 1.00 53.41 H new ATOM 0 HH21 ARG A 16 4.790 -11.833 0.271 1.00 55.23 H new ATOM 0 HH22 ARG A 16 3.877 -13.109 -0.542 1.00 55.23 H new ATOM 281 N LEU A 17 12.299 -10.775 -1.538 1.00 73.10 N ATOM 282 CA LEU A 17 12.794 -10.331 -2.845 1.00 31.21 C ATOM 283 C LEU A 17 12.824 -11.509 -3.839 1.00 31.12 C ATOM 284 O LEU A 17 13.693 -12.380 -3.778 1.00 62.54 O ATOM 285 CB LEU A 17 14.177 -9.654 -2.713 1.00 4.21 C ATOM 286 CG LEU A 17 15.021 -10.054 -1.482 1.00 41.10 C ATOM 287 CD1 LEU A 17 15.500 -11.503 -1.567 1.00 73.15 C ATOM 288 CD2 LEU A 17 16.198 -9.096 -1.312 1.00 73.23 C ATOM 0 H LEU A 17 12.624 -11.703 -1.268 1.00 73.10 H new ATOM 0 HA LEU A 17 12.107 -9.582 -3.240 1.00 31.21 H new ATOM 0 HB2 LEU A 17 14.754 -9.877 -3.610 1.00 4.21 H new ATOM 0 HB3 LEU A 17 14.029 -8.574 -2.690 1.00 4.21 H new ATOM 0 HG LEU A 17 14.382 -9.981 -0.602 1.00 41.10 H new ATOM 0 HD11 LEU A 17 16.090 -11.744 -0.682 1.00 73.15 H new ATOM 0 HD12 LEU A 17 14.638 -12.168 -1.621 1.00 73.15 H new ATOM 0 HD13 LEU A 17 16.114 -11.632 -2.458 1.00 73.15 H new ATOM 0 HD21 LEU A 17 16.784 -9.390 -0.441 1.00 73.23 H new ATOM 0 HD22 LEU A 17 16.827 -9.131 -2.201 1.00 73.23 H new ATOM 0 HD23 LEU A 17 15.824 -8.082 -1.172 1.00 73.23 H new ATOM 300 N GLU A 18 11.853 -11.520 -4.751 1.00 63.15 N ATOM 301 CA GLU A 18 11.651 -12.631 -5.691 1.00 22.53 C ATOM 302 C GLU A 18 12.838 -12.816 -6.649 1.00 75.40 C ATOM 303 O GLU A 18 13.388 -13.913 -6.769 1.00 51.33 O ATOM 304 CB GLU A 18 10.368 -12.390 -6.503 1.00 63.14 C ATOM 305 CG GLU A 18 9.101 -12.314 -5.655 1.00 74.55 C ATOM 306 CD GLU A 18 8.677 -13.666 -5.101 1.00 75.30 C ATOM 307 OE1 GLU A 18 9.257 -14.113 -4.088 1.00 44.20 O ATOM 308 OE2 GLU A 18 7.754 -14.282 -5.671 1.00 75.24 O ATOM 0 H GLU A 18 11.182 -10.760 -4.862 1.00 63.15 H new ATOM 0 HA GLU A 18 11.564 -13.544 -5.102 1.00 22.53 H new ATOM 0 HB2 GLU A 18 10.474 -11.461 -7.063 1.00 63.14 H new ATOM 0 HB3 GLU A 18 10.257 -13.192 -7.233 1.00 63.14 H new ATOM 0 HG2 GLU A 18 9.264 -11.623 -4.828 1.00 74.55 H new ATOM 0 HG3 GLU A 18 8.291 -11.904 -6.258 1.00 74.55 H new ATOM 315 N VAL A 19 13.228 -11.733 -7.317 1.00 35.14 N ATOM 316 CA VAL A 19 14.259 -11.785 -8.361 1.00 52.42 C ATOM 317 C VAL A 19 15.624 -12.266 -7.832 1.00 53.34 C ATOM 318 O VAL A 19 16.090 -11.838 -6.773 1.00 34.44 O ATOM 319 CB VAL A 19 14.433 -10.402 -9.031 1.00 61.44 C ATOM 320 CG1 VAL A 19 14.848 -9.351 -8.004 1.00 1.31 C ATOM 321 CG2 VAL A 19 15.436 -10.475 -10.185 1.00 25.11 C ATOM 0 H VAL A 19 12.845 -10.801 -7.155 1.00 35.14 H new ATOM 0 HA VAL A 19 13.910 -12.513 -9.093 1.00 52.42 H new ATOM 0 HB VAL A 19 13.471 -10.102 -9.447 1.00 61.44 H new ATOM 0 HG11 VAL A 19 14.965 -8.386 -8.498 1.00 1.31 H new ATOM 0 HG12 VAL A 19 14.082 -9.274 -7.233 1.00 1.31 H new ATOM 0 HG13 VAL A 19 15.794 -9.642 -7.548 1.00 1.31 H new ATOM 0 HG21 VAL A 19 15.540 -9.490 -10.639 1.00 25.11 H new ATOM 0 HG22 VAL A 19 16.404 -10.804 -9.806 1.00 25.11 H new ATOM 0 HG23 VAL A 19 15.079 -11.183 -10.933 1.00 25.11 H new ATOM 331 N SER A 20 16.256 -13.161 -8.583 1.00 42.00 N ATOM 332 CA SER A 20 17.602 -13.653 -8.259 1.00 42.54 C ATOM 333 C SER A 20 18.578 -13.331 -9.398 1.00 25.21 C ATOM 334 O SER A 20 18.240 -13.475 -10.572 1.00 21.31 O ATOM 335 CB SER A 20 17.571 -15.168 -8.013 1.00 41.22 C ATOM 336 OG SER A 20 18.853 -15.668 -7.662 1.00 1.54 O ATOM 0 H SER A 20 15.858 -13.568 -9.430 1.00 42.00 H new ATOM 0 HA SER A 20 17.941 -13.153 -7.352 1.00 42.54 H new ATOM 0 HB2 SER A 20 16.862 -15.393 -7.217 1.00 41.22 H new ATOM 0 HB3 SER A 20 17.215 -15.675 -8.910 1.00 41.22 H new ATOM 0 HG SER A 20 18.797 -16.635 -7.511 1.00 1.54 H new ATOM 342 N GLY A 21 19.784 -12.885 -9.050 1.00 53.32 N ATOM 343 CA GLY A 21 20.775 -12.525 -10.063 1.00 44.32 C ATOM 344 C GLY A 21 21.189 -11.057 -10.001 1.00 52.04 C ATOM 345 O GLY A 21 21.281 -10.477 -8.915 1.00 22.11 O ATOM 0 H GLY A 21 20.096 -12.765 -8.086 1.00 53.32 H new ATOM 0 HA2 GLY A 21 21.658 -13.151 -9.937 1.00 44.32 H new ATOM 0 HA3 GLY A 21 20.370 -12.741 -11.052 1.00 44.32 H new ATOM 349 N GLU A 22 21.409 -10.453 -11.172 1.00 1.02 N ATOM 350 CA GLU A 22 21.904 -9.068 -11.273 1.00 34.45 C ATOM 351 C GLU A 22 21.055 -8.075 -10.464 1.00 13.00 C ATOM 352 O GLU A 22 21.576 -7.319 -9.647 1.00 23.14 O ATOM 353 CB GLU A 22 21.945 -8.628 -12.745 1.00 1.12 C ATOM 354 CG GLU A 22 22.941 -9.404 -13.600 1.00 35.13 C ATOM 355 CD GLU A 22 22.926 -8.970 -15.057 1.00 3.43 C ATOM 356 OE1 GLU A 22 23.219 -7.786 -15.331 1.00 32.04 O ATOM 357 OE2 GLU A 22 22.617 -9.805 -15.935 1.00 13.40 O ATOM 0 H GLU A 22 21.252 -10.903 -12.074 1.00 1.02 H new ATOM 0 HA GLU A 22 22.909 -9.060 -10.850 1.00 34.45 H new ATOM 0 HB2 GLU A 22 20.949 -8.740 -13.174 1.00 1.12 H new ATOM 0 HB3 GLU A 22 22.194 -7.568 -12.789 1.00 1.12 H new ATOM 0 HG2 GLU A 22 23.944 -9.269 -13.195 1.00 35.13 H new ATOM 0 HG3 GLU A 22 22.714 -10.468 -13.540 1.00 35.13 H new ATOM 364 N LEU A 23 19.745 -8.071 -10.693 1.00 70.34 N ATOM 365 CA LEU A 23 18.855 -7.148 -9.984 1.00 15.30 C ATOM 366 C LEU A 23 18.924 -7.358 -8.459 1.00 75.32 C ATOM 367 O LEU A 23 18.834 -6.406 -7.689 1.00 30.03 O ATOM 368 CB LEU A 23 17.411 -7.302 -10.481 1.00 64.22 C ATOM 369 CG LEU A 23 16.400 -6.299 -9.896 1.00 33.31 C ATOM 370 CD1 LEU A 23 16.791 -4.862 -10.237 1.00 54.31 C ATOM 371 CD2 LEU A 23 14.991 -6.603 -10.395 1.00 74.12 C ATOM 0 H LEU A 23 19.277 -8.688 -11.356 1.00 70.34 H new ATOM 0 HA LEU A 23 19.193 -6.134 -10.197 1.00 15.30 H new ATOM 0 HB2 LEU A 23 17.406 -7.205 -11.567 1.00 64.22 H new ATOM 0 HB3 LEU A 23 17.071 -8.311 -10.250 1.00 64.22 H new ATOM 0 HG LEU A 23 16.413 -6.404 -8.811 1.00 33.31 H new ATOM 0 HD11 LEU A 23 16.060 -4.175 -9.811 1.00 54.31 H new ATOM 0 HD12 LEU A 23 17.776 -4.645 -9.824 1.00 54.31 H new ATOM 0 HD13 LEU A 23 16.817 -4.739 -11.320 1.00 54.31 H new ATOM 0 HD21 LEU A 23 14.291 -5.883 -9.970 1.00 74.12 H new ATOM 0 HD22 LEU A 23 14.967 -6.534 -11.483 1.00 74.12 H new ATOM 0 HD23 LEU A 23 14.706 -7.610 -10.089 1.00 74.12 H new ATOM 383 N HIS A 24 19.114 -8.601 -8.026 1.00 5.24 N ATOM 384 CA HIS A 24 19.150 -8.915 -6.594 1.00 25.02 C ATOM 385 C HIS A 24 20.340 -8.248 -5.884 1.00 12.24 C ATOM 386 O HIS A 24 20.176 -7.659 -4.813 1.00 62.41 O ATOM 387 CB HIS A 24 19.200 -10.430 -6.369 1.00 34.15 C ATOM 388 CG HIS A 24 19.312 -10.815 -4.921 1.00 60.53 C ATOM 389 ND1 HIS A 24 20.514 -11.092 -4.305 1.00 21.31 N ATOM 390 CD2 HIS A 24 18.364 -10.958 -3.964 1.00 11.55 C ATOM 391 CE1 HIS A 24 20.303 -11.387 -3.040 1.00 62.00 C ATOM 392 NE2 HIS A 24 19.008 -11.316 -2.804 1.00 64.43 N ATOM 0 H HIS A 24 19.245 -9.406 -8.639 1.00 5.24 H new ATOM 0 HA HIS A 24 18.233 -8.515 -6.162 1.00 25.02 H new ATOM 0 HB2 HIS A 24 18.301 -10.882 -6.789 1.00 34.15 H new ATOM 0 HB3 HIS A 24 20.049 -10.843 -6.914 1.00 34.15 H new ATOM 0 HD2 HIS A 24 17.301 -10.817 -4.089 1.00 11.55 H new ATOM 0 HE1 HIS A 24 21.063 -11.644 -2.317 1.00 62.00 H new ATOM 0 HE2 HIS A 24 18.558 -11.497 -1.907 1.00 64.43 H new ATOM 401 N GLU A 25 21.535 -8.343 -6.473 1.00 14.21 N ATOM 402 CA GLU A 25 22.748 -7.818 -5.827 1.00 12.12 C ATOM 403 C GLU A 25 22.719 -6.283 -5.696 1.00 55.12 C ATOM 404 O GLU A 25 23.264 -5.726 -4.741 1.00 14.25 O ATOM 405 CB GLU A 25 24.025 -8.309 -6.550 1.00 62.40 C ATOM 406 CG GLU A 25 24.108 -7.994 -8.047 1.00 31.53 C ATOM 407 CD GLU A 25 24.598 -6.584 -8.352 1.00 31.40 C ATOM 408 OE1 GLU A 25 25.777 -6.287 -8.065 1.00 20.22 O ATOM 409 OE2 GLU A 25 23.822 -5.770 -8.892 1.00 73.44 O ATOM 0 H GLU A 25 21.691 -8.772 -7.385 1.00 14.21 H new ATOM 0 HA GLU A 25 22.770 -8.216 -4.812 1.00 12.12 H new ATOM 0 HB2 GLU A 25 24.891 -7.868 -6.057 1.00 62.40 H new ATOM 0 HB3 GLU A 25 24.100 -9.389 -6.421 1.00 62.40 H new ATOM 0 HG2 GLU A 25 24.776 -8.712 -8.523 1.00 31.53 H new ATOM 0 HG3 GLU A 25 23.123 -8.131 -8.493 1.00 31.53 H new ATOM 416 N LYS A 26 22.084 -5.597 -6.646 1.00 34.31 N ATOM 417 CA LYS A 26 21.917 -4.142 -6.543 1.00 43.34 C ATOM 418 C LYS A 26 20.806 -3.773 -5.543 1.00 32.54 C ATOM 419 O LYS A 26 20.913 -2.776 -4.833 1.00 65.21 O ATOM 420 CB LYS A 26 21.643 -3.514 -7.922 1.00 62.30 C ATOM 421 CG LYS A 26 20.309 -3.904 -8.547 1.00 33.12 C ATOM 422 CD LYS A 26 20.183 -3.400 -9.982 1.00 34.24 C ATOM 423 CE LYS A 26 20.349 -1.889 -10.082 1.00 4.13 C ATOM 424 NZ LYS A 26 20.288 -1.419 -11.492 1.00 45.30 N ATOM 0 H LYS A 26 21.681 -6.015 -7.485 1.00 34.31 H new ATOM 0 HA LYS A 26 22.854 -3.732 -6.166 1.00 43.34 H new ATOM 0 HB2 LYS A 26 21.680 -2.429 -7.825 1.00 62.30 H new ATOM 0 HB3 LYS A 26 22.445 -3.801 -8.602 1.00 62.30 H new ATOM 0 HG2 LYS A 26 20.205 -4.989 -8.533 1.00 33.12 H new ATOM 0 HG3 LYS A 26 19.495 -3.498 -7.947 1.00 33.12 H new ATOM 0 HD2 LYS A 26 20.935 -3.887 -10.603 1.00 34.24 H new ATOM 0 HD3 LYS A 26 19.208 -3.683 -10.380 1.00 34.24 H new ATOM 0 HE2 LYS A 26 19.568 -1.398 -9.501 1.00 4.13 H new ATOM 0 HE3 LYS A 26 21.303 -1.598 -9.643 1.00 4.13 H new ATOM 0 HZ1 LYS A 26 20.405 -0.386 -11.519 1.00 45.30 H new ATOM 0 HZ2 LYS A 26 21.049 -1.868 -12.041 1.00 45.30 H new ATOM 0 HZ3 LYS A 26 19.368 -1.674 -11.903 1.00 45.30 H new ATOM 438 N LEU A 27 19.748 -4.586 -5.475 1.00 14.52 N ATOM 439 CA LEU A 27 18.664 -4.364 -4.503 1.00 61.34 C ATOM 440 C LEU A 27 19.190 -4.382 -3.062 1.00 62.42 C ATOM 441 O LEU A 27 19.001 -3.425 -2.305 1.00 13.42 O ATOM 442 CB LEU A 27 17.568 -5.428 -4.656 1.00 53.13 C ATOM 443 CG LEU A 27 16.715 -5.328 -5.930 1.00 71.53 C ATOM 444 CD1 LEU A 27 15.745 -6.502 -6.016 1.00 24.21 C ATOM 445 CD2 LEU A 27 15.966 -3.999 -5.983 1.00 33.24 C ATOM 0 H LEU A 27 19.616 -5.400 -6.075 1.00 14.52 H new ATOM 0 HA LEU A 27 18.244 -3.380 -4.710 1.00 61.34 H new ATOM 0 HB2 LEU A 27 18.037 -6.412 -4.631 1.00 53.13 H new ATOM 0 HB3 LEU A 27 16.906 -5.368 -3.792 1.00 53.13 H new ATOM 0 HG LEU A 27 17.382 -5.370 -6.791 1.00 71.53 H new ATOM 0 HD11 LEU A 27 15.149 -6.415 -6.924 1.00 24.21 H new ATOM 0 HD12 LEU A 27 16.306 -7.436 -6.038 1.00 24.21 H new ATOM 0 HD13 LEU A 27 15.086 -6.494 -5.147 1.00 24.21 H new ATOM 0 HD21 LEU A 27 15.370 -3.953 -6.894 1.00 33.24 H new ATOM 0 HD22 LEU A 27 15.311 -3.916 -5.116 1.00 33.24 H new ATOM 0 HD23 LEU A 27 16.682 -3.177 -5.976 1.00 33.24 H new ATOM 457 N VAL A 28 19.859 -5.472 -2.690 1.00 42.54 N ATOM 458 CA VAL A 28 20.450 -5.594 -1.355 1.00 1.30 C ATOM 459 C VAL A 28 21.545 -4.537 -1.137 1.00 3.23 C ATOM 460 O VAL A 28 21.683 -3.990 -0.044 1.00 62.23 O ATOM 461 CB VAL A 28 21.030 -7.012 -1.113 1.00 3.24 C ATOM 462 CG1 VAL A 28 19.920 -8.064 -1.177 1.00 70.41 C ATOM 463 CG2 VAL A 28 22.139 -7.332 -2.115 1.00 41.32 C ATOM 0 H VAL A 28 20.006 -6.283 -3.291 1.00 42.54 H new ATOM 0 HA VAL A 28 19.649 -5.426 -0.635 1.00 1.30 H new ATOM 0 HB VAL A 28 21.467 -7.033 -0.115 1.00 3.24 H new ATOM 0 HG11 VAL A 28 20.345 -9.053 -1.005 1.00 70.41 H new ATOM 0 HG12 VAL A 28 19.173 -7.852 -0.412 1.00 70.41 H new ATOM 0 HG13 VAL A 28 19.450 -8.037 -2.160 1.00 70.41 H new ATOM 0 HG21 VAL A 28 22.527 -8.332 -1.921 1.00 41.32 H new ATOM 0 HG22 VAL A 28 21.738 -7.288 -3.128 1.00 41.32 H new ATOM 0 HG23 VAL A 28 22.944 -6.604 -2.011 1.00 41.32 H new ATOM 473 N GLY A 29 22.303 -4.241 -2.196 1.00 14.01 N ATOM 474 CA GLY A 29 23.318 -3.195 -2.139 1.00 13.44 C ATOM 475 C GLY A 29 22.727 -1.800 -1.939 1.00 74.43 C ATOM 476 O GLY A 29 23.386 -0.909 -1.395 1.00 20.23 O ATOM 0 H GLY A 29 22.231 -4.711 -3.098 1.00 14.01 H new ATOM 0 HA2 GLY A 29 24.009 -3.411 -1.324 1.00 13.44 H new ATOM 0 HA3 GLY A 29 23.898 -3.209 -3.062 1.00 13.44 H new ATOM 480 N MET A 30 21.489 -1.601 -2.393 1.00 1.52 N ATOM 481 CA MET A 30 20.773 -0.340 -2.170 1.00 75.41 C ATOM 482 C MET A 30 20.091 -0.318 -0.790 1.00 23.42 C ATOM 483 O MET A 30 19.907 0.745 -0.200 1.00 53.52 O ATOM 484 CB MET A 30 19.738 -0.096 -3.281 1.00 32.40 C ATOM 485 CG MET A 30 20.359 0.240 -4.635 1.00 41.35 C ATOM 486 SD MET A 30 19.128 0.631 -5.896 1.00 23.42 S ATOM 487 CE MET A 30 18.217 -0.911 -5.987 1.00 72.11 C ATOM 0 H MET A 30 20.959 -2.296 -2.918 1.00 1.52 H new ATOM 0 HA MET A 30 21.508 0.464 -2.196 1.00 75.41 H new ATOM 0 HB2 MET A 30 19.116 -0.984 -3.387 1.00 32.40 H new ATOM 0 HB3 MET A 30 19.081 0.720 -2.980 1.00 32.40 H new ATOM 0 HG2 MET A 30 21.034 1.088 -4.519 1.00 41.35 H new ATOM 0 HG3 MET A 30 20.961 -0.604 -4.972 1.00 41.35 H new ATOM 0 HE1 MET A 30 17.433 -0.827 -6.740 1.00 72.11 H new ATOM 0 HE2 MET A 30 18.896 -1.719 -6.259 1.00 72.11 H new ATOM 0 HE3 MET A 30 17.767 -1.126 -5.018 1.00 72.11 H new ATOM 497 N GLY A 31 19.731 -1.490 -0.266 1.00 52.01 N ATOM 498 CA GLY A 31 19.134 -1.557 1.071 1.00 72.44 C ATOM 499 C GLY A 31 17.949 -2.510 1.186 1.00 55.35 C ATOM 500 O GLY A 31 17.445 -2.740 2.285 1.00 25.05 O ATOM 0 H GLY A 31 19.839 -2.390 -0.734 1.00 52.01 H new ATOM 0 HA2 GLY A 31 19.901 -1.863 1.783 1.00 72.44 H new ATOM 0 HA3 GLY A 31 18.810 -0.558 1.361 1.00 72.44 H new ATOM 504 N PHE A 32 17.495 -3.069 0.069 1.00 61.42 N ATOM 505 CA PHE A 32 16.363 -4.001 0.091 1.00 32.23 C ATOM 506 C PHE A 32 16.760 -5.346 0.719 1.00 44.34 C ATOM 507 O PHE A 32 17.063 -6.314 0.018 1.00 43.03 O ATOM 508 CB PHE A 32 15.805 -4.213 -1.323 1.00 20.52 C ATOM 509 CG PHE A 32 15.236 -2.960 -1.943 1.00 62.53 C ATOM 510 CD1 PHE A 32 13.924 -2.583 -1.698 1.00 62.32 C ATOM 511 CD2 PHE A 32 16.013 -2.161 -2.771 1.00 25.24 C ATOM 512 CE1 PHE A 32 13.399 -1.436 -2.265 1.00 73.34 C ATOM 513 CE2 PHE A 32 15.491 -1.014 -3.339 1.00 14.51 C ATOM 514 CZ PHE A 32 14.184 -0.652 -3.087 1.00 73.33 C ATOM 0 H PHE A 32 17.886 -2.898 -0.857 1.00 61.42 H new ATOM 0 HA PHE A 32 15.582 -3.558 0.709 1.00 32.23 H new ATOM 0 HB2 PHE A 32 16.599 -4.597 -1.964 1.00 20.52 H new ATOM 0 HB3 PHE A 32 15.027 -4.976 -1.287 1.00 20.52 H new ATOM 0 HD1 PHE A 32 13.305 -3.193 -1.057 1.00 62.32 H new ATOM 0 HD2 PHE A 32 17.037 -2.439 -2.974 1.00 25.24 H new ATOM 0 HE1 PHE A 32 12.376 -1.154 -2.065 1.00 73.34 H new ATOM 0 HE2 PHE A 32 16.107 -0.401 -3.980 1.00 14.51 H new ATOM 0 HZ PHE A 32 13.775 0.243 -3.532 1.00 73.33 H new ATOM 524 N VAL A 33 16.788 -5.379 2.048 1.00 43.52 N ATOM 525 CA VAL A 33 17.115 -6.595 2.799 1.00 32.21 C ATOM 526 C VAL A 33 16.032 -6.902 3.851 1.00 22.04 C ATOM 527 O VAL A 33 15.644 -6.023 4.628 1.00 11.25 O ATOM 528 CB VAL A 33 18.499 -6.476 3.499 1.00 61.01 C ATOM 529 CG1 VAL A 33 19.619 -6.344 2.466 1.00 22.33 C ATOM 530 CG2 VAL A 33 18.528 -5.295 4.473 1.00 55.12 C ATOM 0 H VAL A 33 16.586 -4.570 2.636 1.00 43.52 H new ATOM 0 HA VAL A 33 17.157 -7.413 2.080 1.00 32.21 H new ATOM 0 HB VAL A 33 18.661 -7.389 4.071 1.00 61.01 H new ATOM 0 HG11 VAL A 33 20.578 -6.262 2.978 1.00 22.33 H new ATOM 0 HG12 VAL A 33 19.625 -7.223 1.822 1.00 22.33 H new ATOM 0 HG13 VAL A 33 19.453 -5.452 1.861 1.00 22.33 H new ATOM 0 HG21 VAL A 33 19.508 -5.238 4.947 1.00 55.12 H new ATOM 0 HG22 VAL A 33 18.333 -4.370 3.930 1.00 55.12 H new ATOM 0 HG23 VAL A 33 17.763 -5.435 5.237 1.00 55.12 H new ATOM 540 N PRO A 34 15.504 -8.145 3.875 1.00 4.45 N ATOM 541 CA PRO A 34 14.463 -8.548 4.839 1.00 12.11 C ATOM 542 C PRO A 34 14.826 -8.191 6.292 1.00 64.30 C ATOM 543 O PRO A 34 15.720 -8.792 6.893 1.00 14.52 O ATOM 544 CB PRO A 34 14.378 -10.069 4.651 1.00 13.23 C ATOM 545 CG PRO A 34 14.820 -10.296 3.244 1.00 44.34 C ATOM 546 CD PRO A 34 15.874 -9.254 2.969 1.00 1.10 C ATOM 0 HA PRO A 34 13.520 -8.031 4.661 1.00 12.11 H new ATOM 0 HB2 PRO A 34 15.021 -10.593 5.358 1.00 13.23 H new ATOM 0 HB3 PRO A 34 13.363 -10.433 4.812 1.00 13.23 H new ATOM 0 HG2 PRO A 34 15.222 -11.301 3.118 1.00 44.34 H new ATOM 0 HG3 PRO A 34 13.984 -10.198 2.551 1.00 44.34 H new ATOM 0 HD2 PRO A 34 16.875 -9.629 3.181 1.00 1.10 H new ATOM 0 HD3 PRO A 34 15.866 -8.940 1.925 1.00 1.10 H new ATOM 554 N GLY A 35 14.140 -7.193 6.844 1.00 42.55 N ATOM 555 CA GLY A 35 14.445 -6.719 8.191 1.00 40.34 C ATOM 556 C GLY A 35 14.546 -5.198 8.280 1.00 2.02 C ATOM 557 O GLY A 35 14.126 -4.600 9.273 1.00 11.04 O ATOM 0 H GLY A 35 13.375 -6.700 6.383 1.00 42.55 H new ATOM 0 HA2 GLY A 35 13.672 -7.067 8.876 1.00 40.34 H new ATOM 0 HA3 GLY A 35 15.386 -7.160 8.521 1.00 40.34 H new ATOM 561 N GLU A 36 15.108 -4.571 7.244 1.00 30.41 N ATOM 562 CA GLU A 36 15.217 -3.106 7.191 1.00 3.04 C ATOM 563 C GLU A 36 13.831 -2.457 7.060 1.00 24.41 C ATOM 564 O GLU A 36 12.912 -3.039 6.476 1.00 51.15 O ATOM 565 CB GLU A 36 16.119 -2.668 6.017 1.00 63.11 C ATOM 566 CG GLU A 36 17.407 -1.964 6.446 1.00 72.03 C ATOM 567 CD GLU A 36 17.149 -0.724 7.294 1.00 71.11 C ATOM 568 OE1 GLU A 36 16.435 0.188 6.825 1.00 72.12 O ATOM 569 OE2 GLU A 36 17.645 -0.662 8.439 1.00 62.35 O ATOM 0 H GLU A 36 15.495 -5.051 6.431 1.00 30.41 H new ATOM 0 HA GLU A 36 15.669 -2.771 8.125 1.00 3.04 H new ATOM 0 HB2 GLU A 36 16.378 -3.546 5.425 1.00 63.11 H new ATOM 0 HB3 GLU A 36 15.552 -2.001 5.367 1.00 63.11 H new ATOM 0 HG2 GLU A 36 18.026 -2.662 7.010 1.00 72.03 H new ATOM 0 HG3 GLU A 36 17.973 -1.680 5.559 1.00 72.03 H new ATOM 576 N GLU A 37 13.681 -1.246 7.593 1.00 12.51 N ATOM 577 CA GLU A 37 12.389 -0.547 7.566 1.00 25.33 C ATOM 578 C GLU A 37 12.366 0.579 6.521 1.00 53.24 C ATOM 579 O GLU A 37 13.134 1.541 6.589 1.00 41.31 O ATOM 580 CB GLU A 37 12.029 -0.025 8.966 1.00 73.42 C ATOM 581 CG GLU A 37 11.663 -1.147 9.935 1.00 35.40 C ATOM 582 CD GLU A 37 11.170 -0.659 11.289 1.00 21.01 C ATOM 583 OE1 GLU A 37 10.376 0.304 11.332 1.00 55.23 O ATOM 584 OE2 GLU A 37 11.539 -1.274 12.314 1.00 21.04 O ATOM 0 H GLU A 37 14.432 -0.727 8.048 1.00 12.51 H new ATOM 0 HA GLU A 37 11.628 -1.267 7.265 1.00 25.33 H new ATOM 0 HB2 GLU A 37 12.872 0.537 9.368 1.00 73.42 H new ATOM 0 HB3 GLU A 37 11.192 0.669 8.887 1.00 73.42 H new ATOM 0 HG2 GLU A 37 10.891 -1.768 9.481 1.00 35.40 H new ATOM 0 HG3 GLU A 37 12.536 -1.783 10.085 1.00 35.40 H new ATOM 591 N ILE A 38 11.444 0.448 5.573 1.00 1.10 N ATOM 592 CA ILE A 38 11.375 1.314 4.388 1.00 62.32 C ATOM 593 C ILE A 38 10.165 2.265 4.436 1.00 21.43 C ATOM 594 O ILE A 38 9.112 1.921 4.968 1.00 15.54 O ATOM 595 CB ILE A 38 11.284 0.440 3.112 1.00 34.42 C ATOM 596 CG1 ILE A 38 11.154 1.305 1.843 1.00 51.23 C ATOM 597 CG2 ILE A 38 10.119 -0.544 3.225 1.00 2.33 C ATOM 598 CD1 ILE A 38 11.081 0.501 0.561 1.00 14.33 C ATOM 0 H ILE A 38 10.716 -0.266 5.600 1.00 1.10 H new ATOM 0 HA ILE A 38 12.280 1.922 4.372 1.00 62.32 H new ATOM 0 HB ILE A 38 12.211 -0.127 3.025 1.00 34.42 H new ATOM 0 HG12 ILE A 38 10.260 1.922 1.925 1.00 51.23 H new ATOM 0 HG13 ILE A 38 12.006 1.983 1.788 1.00 51.23 H new ATOM 0 HG21 ILE A 38 10.067 -1.152 2.322 1.00 2.33 H new ATOM 0 HG22 ILE A 38 10.272 -1.191 4.089 1.00 2.33 H new ATOM 0 HG23 ILE A 38 9.187 0.008 3.345 1.00 2.33 H new ATOM 0 HD11 ILE A 38 10.991 1.178 -0.288 1.00 14.33 H new ATOM 0 HD12 ILE A 38 11.986 -0.096 0.454 1.00 14.33 H new ATOM 0 HD13 ILE A 38 10.213 -0.158 0.594 1.00 14.33 H new ATOM 610 N GLU A 39 10.324 3.460 3.869 1.00 75.43 N ATOM 611 CA GLU A 39 9.221 4.425 3.761 1.00 14.05 C ATOM 612 C GLU A 39 9.207 5.085 2.371 1.00 20.34 C ATOM 613 O GLU A 39 10.253 5.483 1.855 1.00 2.52 O ATOM 614 CB GLU A 39 9.350 5.507 4.847 1.00 23.42 C ATOM 615 CG GLU A 39 10.580 6.396 4.686 1.00 11.10 C ATOM 616 CD GLU A 39 10.674 7.485 5.741 1.00 13.24 C ATOM 617 OE1 GLU A 39 9.752 8.323 5.820 1.00 32.25 O ATOM 618 OE2 GLU A 39 11.679 7.522 6.482 1.00 51.10 O ATOM 0 H GLU A 39 11.206 3.787 3.475 1.00 75.43 H new ATOM 0 HA GLU A 39 8.284 3.885 3.902 1.00 14.05 H new ATOM 0 HB2 GLU A 39 8.457 6.132 4.832 1.00 23.42 H new ATOM 0 HB3 GLU A 39 9.386 5.026 5.824 1.00 23.42 H new ATOM 0 HG2 GLU A 39 11.476 5.777 4.731 1.00 11.10 H new ATOM 0 HG3 GLU A 39 10.560 6.857 3.698 1.00 11.10 H new ATOM 625 N ILE A 40 8.028 5.191 1.761 1.00 75.22 N ATOM 626 CA ILE A 40 7.899 5.865 0.462 1.00 55.34 C ATOM 627 C ILE A 40 7.883 7.393 0.639 1.00 23.20 C ATOM 628 O ILE A 40 7.086 7.929 1.410 1.00 1.41 O ATOM 629 CB ILE A 40 6.616 5.422 -0.291 1.00 2.44 C ATOM 630 CG1 ILE A 40 6.603 3.895 -0.494 1.00 73.24 C ATOM 631 CG2 ILE A 40 6.503 6.144 -1.636 1.00 21.24 C ATOM 632 CD1 ILE A 40 7.713 3.373 -1.384 1.00 74.20 C ATOM 0 H ILE A 40 7.154 4.824 2.137 1.00 75.22 H new ATOM 0 HA ILE A 40 8.766 5.577 -0.133 1.00 55.34 H new ATOM 0 HB ILE A 40 5.754 5.693 0.318 1.00 2.44 H new ATOM 0 HG12 ILE A 40 6.676 3.411 0.480 1.00 73.24 H new ATOM 0 HG13 ILE A 40 5.644 3.606 -0.923 1.00 73.24 H new ATOM 0 HG21 ILE A 40 5.597 5.820 -2.148 1.00 21.24 H new ATOM 0 HG22 ILE A 40 6.460 7.220 -1.469 1.00 21.24 H new ATOM 0 HG23 ILE A 40 7.372 5.907 -2.250 1.00 21.24 H new ATOM 0 HD11 ILE A 40 7.629 2.290 -1.473 1.00 74.20 H new ATOM 0 HD12 ILE A 40 7.630 3.826 -2.372 1.00 74.20 H new ATOM 0 HD13 ILE A 40 8.679 3.627 -0.948 1.00 74.20 H new ATOM 644 N VAL A 41 8.773 8.086 -0.068 1.00 62.20 N ATOM 645 CA VAL A 41 8.882 9.548 0.031 1.00 45.25 C ATOM 646 C VAL A 41 7.974 10.257 -0.985 1.00 12.34 C ATOM 647 O VAL A 41 7.085 11.027 -0.611 1.00 34.30 O ATOM 648 CB VAL A 41 10.343 10.017 -0.189 1.00 53.10 C ATOM 649 CG1 VAL A 41 10.474 11.527 0.011 1.00 34.24 C ATOM 650 CG2 VAL A 41 11.287 9.257 0.735 1.00 21.21 C ATOM 0 H VAL A 41 9.433 7.661 -0.719 1.00 62.20 H new ATOM 0 HA VAL A 41 8.561 9.815 1.038 1.00 45.25 H new ATOM 0 HB VAL A 41 10.621 9.798 -1.220 1.00 53.10 H new ATOM 0 HG11 VAL A 41 11.510 11.827 -0.150 1.00 34.24 H new ATOM 0 HG12 VAL A 41 9.831 12.045 -0.701 1.00 34.24 H new ATOM 0 HG13 VAL A 41 10.175 11.787 1.026 1.00 34.24 H new ATOM 0 HG21 VAL A 41 12.310 9.596 0.570 1.00 21.21 H new ATOM 0 HG22 VAL A 41 11.007 9.441 1.772 1.00 21.21 H new ATOM 0 HG23 VAL A 41 11.221 8.190 0.525 1.00 21.21 H new ATOM 660 N GLN A 42 8.202 9.999 -2.272 1.00 13.32 N ATOM 661 CA GLN A 42 7.428 10.650 -3.336 1.00 51.22 C ATOM 662 C GLN A 42 7.398 9.807 -4.621 1.00 64.03 C ATOM 663 O GLN A 42 8.298 9.003 -4.878 1.00 13.03 O ATOM 664 CB GLN A 42 7.989 12.058 -3.612 1.00 4.05 C ATOM 665 CG GLN A 42 9.451 12.098 -4.077 1.00 60.11 C ATOM 666 CD GLN A 42 9.611 12.072 -5.591 1.00 42.12 C ATOM 667 OE1 GLN A 42 8.729 12.497 -6.332 1.00 73.12 O ATOM 668 NE2 GLN A 42 10.757 11.628 -6.057 1.00 32.13 N ATOM 0 H GLN A 42 8.912 9.347 -2.605 1.00 13.32 H new ATOM 0 HA GLN A 42 6.398 10.742 -2.993 1.00 51.22 H new ATOM 0 HB2 GLN A 42 7.370 12.536 -4.371 1.00 4.05 H new ATOM 0 HB3 GLN A 42 7.897 12.653 -2.704 1.00 4.05 H new ATOM 0 HG2 GLN A 42 9.923 12.999 -3.686 1.00 60.11 H new ATOM 0 HG3 GLN A 42 9.983 11.248 -3.649 1.00 60.11 H new ATOM 0 HE21 GLN A 42 11.469 11.282 -5.414 1.00 32.13 H new ATOM 0 HE22 GLN A 42 10.934 11.630 -7.061 1.00 32.13 H new ATOM 677 N VAL A 43 6.349 9.998 -5.419 1.00 33.21 N ATOM 678 CA VAL A 43 6.147 9.226 -6.652 1.00 20.54 C ATOM 679 C VAL A 43 6.106 10.140 -7.892 1.00 60.03 C ATOM 680 O VAL A 43 5.606 11.268 -7.831 1.00 53.33 O ATOM 681 CB VAL A 43 4.830 8.407 -6.580 1.00 5.50 C ATOM 682 CG1 VAL A 43 4.641 7.555 -7.833 1.00 21.25 C ATOM 683 CG2 VAL A 43 4.796 7.537 -5.322 1.00 73.51 C ATOM 0 H VAL A 43 5.618 10.686 -5.235 1.00 33.21 H new ATOM 0 HA VAL A 43 6.994 8.547 -6.745 1.00 20.54 H new ATOM 0 HB VAL A 43 4.002 9.114 -6.527 1.00 5.50 H new ATOM 0 HG11 VAL A 43 3.711 6.993 -7.754 1.00 21.25 H new ATOM 0 HG12 VAL A 43 4.601 8.201 -8.710 1.00 21.25 H new ATOM 0 HG13 VAL A 43 5.476 6.862 -7.931 1.00 21.25 H new ATOM 0 HG21 VAL A 43 3.864 6.973 -5.295 1.00 73.51 H new ATOM 0 HG22 VAL A 43 5.638 6.845 -5.335 1.00 73.51 H new ATOM 0 HG23 VAL A 43 4.862 8.172 -4.439 1.00 73.51 H new ATOM 693 N ALA A 44 6.631 9.643 -9.014 1.00 23.22 N ATOM 694 CA ALA A 44 6.623 10.386 -10.280 1.00 11.14 C ATOM 695 C ALA A 44 5.225 10.385 -10.931 1.00 20.24 C ATOM 696 O ALA A 44 4.476 9.415 -10.808 1.00 73.03 O ATOM 697 CB ALA A 44 7.657 9.793 -11.233 1.00 33.12 C ATOM 0 H ALA A 44 7.070 8.724 -9.073 1.00 23.22 H new ATOM 0 HA ALA A 44 6.882 11.423 -10.067 1.00 11.14 H new ATOM 0 HB1 ALA A 44 7.647 10.348 -12.171 1.00 33.12 H new ATOM 0 HB2 ALA A 44 8.647 9.859 -10.782 1.00 33.12 H new ATOM 0 HB3 ALA A 44 7.416 8.748 -11.427 1.00 33.12 H new ATOM 703 N PRO A 45 4.863 11.470 -11.653 1.00 1.23 N ATOM 704 CA PRO A 45 3.532 11.610 -12.292 1.00 53.21 C ATOM 705 C PRO A 45 3.200 10.478 -13.287 1.00 61.14 C ATOM 706 O PRO A 45 2.029 10.223 -13.586 1.00 5.51 O ATOM 707 CB PRO A 45 3.623 12.964 -13.023 1.00 73.04 C ATOM 708 CG PRO A 45 5.083 13.265 -13.118 1.00 71.41 C ATOM 709 CD PRO A 45 5.709 12.652 -11.898 1.00 45.53 C ATOM 0 HA PRO A 45 2.734 11.556 -11.551 1.00 53.21 H new ATOM 0 HB2 PRO A 45 3.168 12.908 -14.012 1.00 73.04 H new ATOM 0 HB3 PRO A 45 3.096 13.744 -12.473 1.00 73.04 H new ATOM 0 HG2 PRO A 45 5.510 12.846 -14.029 1.00 71.41 H new ATOM 0 HG3 PRO A 45 5.259 14.340 -13.149 1.00 71.41 H new ATOM 0 HD2 PRO A 45 6.749 12.375 -12.073 1.00 45.53 H new ATOM 0 HD3 PRO A 45 5.700 13.338 -11.051 1.00 45.53 H new ATOM 717 N LEU A 46 4.229 9.799 -13.796 1.00 14.12 N ATOM 718 CA LEU A 46 4.037 8.689 -14.745 1.00 62.32 C ATOM 719 C LEU A 46 3.747 7.363 -14.017 1.00 50.21 C ATOM 720 O LEU A 46 3.533 6.328 -14.649 1.00 2.23 O ATOM 721 CB LEU A 46 5.274 8.526 -15.649 1.00 2.33 C ATOM 722 CG LEU A 46 5.577 9.705 -16.597 1.00 11.40 C ATOM 723 CD1 LEU A 46 6.108 10.916 -15.832 1.00 32.24 C ATOM 724 CD2 LEU A 46 6.563 9.277 -17.684 1.00 64.20 C ATOM 0 H LEU A 46 5.205 9.994 -13.571 1.00 14.12 H new ATOM 0 HA LEU A 46 3.172 8.936 -15.361 1.00 62.32 H new ATOM 0 HB2 LEU A 46 6.145 8.363 -15.014 1.00 2.33 H new ATOM 0 HB3 LEU A 46 5.144 7.626 -16.250 1.00 2.33 H new ATOM 0 HG LEU A 46 4.641 10.000 -17.072 1.00 11.40 H new ATOM 0 HD11 LEU A 46 6.311 11.728 -16.531 1.00 32.24 H new ATOM 0 HD12 LEU A 46 5.365 11.241 -15.104 1.00 32.24 H new ATOM 0 HD13 LEU A 46 7.028 10.645 -15.314 1.00 32.24 H new ATOM 0 HD21 LEU A 46 6.766 10.121 -18.344 1.00 64.20 H new ATOM 0 HD22 LEU A 46 7.493 8.946 -17.222 1.00 64.20 H new ATOM 0 HD23 LEU A 46 6.134 8.459 -18.262 1.00 64.20 H new ATOM 736 N GLY A 47 3.735 7.404 -12.687 1.00 72.10 N ATOM 737 CA GLY A 47 3.545 6.193 -11.894 1.00 33.41 C ATOM 738 C GLY A 47 4.862 5.631 -11.369 1.00 32.43 C ATOM 739 O GLY A 47 4.909 5.025 -10.297 1.00 72.31 O ATOM 0 H GLY A 47 3.854 8.256 -12.139 1.00 72.10 H new ATOM 0 HA2 GLY A 47 2.885 6.411 -11.054 1.00 33.41 H new ATOM 0 HA3 GLY A 47 3.047 5.438 -12.502 1.00 33.41 H new ATOM 743 N ASP A 48 5.932 5.835 -12.132 1.00 33.42 N ATOM 744 CA ASP A 48 7.268 5.388 -11.741 1.00 33.33 C ATOM 745 C ASP A 48 8.347 6.357 -12.277 1.00 60.23 C ATOM 746 O ASP A 48 8.097 7.110 -13.220 1.00 31.31 O ATOM 747 CB ASP A 48 7.512 3.968 -12.271 1.00 72.43 C ATOM 748 CG ASP A 48 7.796 3.932 -13.763 1.00 70.12 C ATOM 749 OD1 ASP A 48 6.912 4.307 -14.557 1.00 25.23 O ATOM 750 OD2 ASP A 48 8.911 3.527 -14.147 1.00 45.22 O ATOM 0 H ASP A 48 5.900 6.312 -13.033 1.00 33.42 H new ATOM 0 HA ASP A 48 7.333 5.379 -10.653 1.00 33.33 H new ATOM 0 HB2 ASP A 48 8.352 3.526 -11.736 1.00 72.43 H new ATOM 0 HB3 ASP A 48 6.639 3.352 -12.058 1.00 72.43 H new ATOM 755 N PRO A 49 9.558 6.361 -11.686 1.00 14.52 N ATOM 756 CA PRO A 49 9.903 5.520 -10.535 1.00 3.22 C ATOM 757 C PRO A 49 9.491 6.127 -9.185 1.00 2.40 C ATOM 758 O PRO A 49 9.033 7.273 -9.098 1.00 51.12 O ATOM 759 CB PRO A 49 11.422 5.414 -10.640 1.00 53.12 C ATOM 760 CG PRO A 49 11.848 6.713 -11.243 1.00 25.23 C ATOM 761 CD PRO A 49 10.705 7.183 -12.121 1.00 61.52 C ATOM 0 HA PRO A 49 9.380 4.564 -10.562 1.00 3.22 H new ATOM 0 HB2 PRO A 49 11.878 5.262 -9.661 1.00 53.12 H new ATOM 0 HB3 PRO A 49 11.719 4.571 -11.264 1.00 53.12 H new ATOM 0 HG2 PRO A 49 12.066 7.447 -10.467 1.00 25.23 H new ATOM 0 HG3 PRO A 49 12.759 6.587 -11.828 1.00 25.23 H new ATOM 0 HD2 PRO A 49 10.508 8.246 -11.985 1.00 61.52 H new ATOM 0 HD3 PRO A 49 10.926 7.033 -13.178 1.00 61.52 H new ATOM 769 N ILE A 50 9.667 5.338 -8.137 1.00 15.22 N ATOM 770 CA ILE A 50 9.292 5.727 -6.780 1.00 75.23 C ATOM 771 C ILE A 50 10.531 5.838 -5.878 1.00 42.23 C ATOM 772 O ILE A 50 11.455 5.026 -5.969 1.00 32.02 O ATOM 773 CB ILE A 50 8.295 4.694 -6.194 1.00 75.32 C ATOM 774 CG1 ILE A 50 8.895 3.273 -6.275 1.00 5.11 C ATOM 775 CG2 ILE A 50 6.954 4.774 -6.930 1.00 40.32 C ATOM 776 CD1 ILE A 50 7.874 2.156 -6.193 1.00 61.14 C ATOM 0 H ILE A 50 10.075 4.405 -8.200 1.00 15.22 H new ATOM 0 HA ILE A 50 8.814 6.706 -6.821 1.00 75.23 H new ATOM 0 HB ILE A 50 8.115 4.926 -5.144 1.00 75.32 H new ATOM 0 HG12 ILE A 50 9.446 3.177 -7.211 1.00 5.11 H new ATOM 0 HG13 ILE A 50 9.616 3.150 -5.467 1.00 5.11 H new ATOM 0 HG21 ILE A 50 6.263 4.043 -6.509 1.00 40.32 H new ATOM 0 HG22 ILE A 50 6.537 5.775 -6.818 1.00 40.32 H new ATOM 0 HG23 ILE A 50 7.106 4.561 -7.988 1.00 40.32 H new ATOM 0 HD11 ILE A 50 8.382 1.194 -6.258 1.00 61.14 H new ATOM 0 HD12 ILE A 50 7.339 2.221 -5.246 1.00 61.14 H new ATOM 0 HD13 ILE A 50 7.166 2.249 -7.017 1.00 61.14 H new ATOM 788 N VAL A 51 10.561 6.860 -5.026 1.00 50.01 N ATOM 789 CA VAL A 51 11.696 7.077 -4.123 1.00 30.13 C ATOM 790 C VAL A 51 11.351 6.669 -2.684 1.00 60.15 C ATOM 791 O VAL A 51 10.367 7.138 -2.114 1.00 34.31 O ATOM 792 CB VAL A 51 12.148 8.556 -4.140 1.00 13.41 C ATOM 793 CG1 VAL A 51 13.348 8.774 -3.214 1.00 52.35 C ATOM 794 CG2 VAL A 51 12.475 8.993 -5.565 1.00 75.34 C ATOM 0 H VAL A 51 9.816 7.551 -4.940 1.00 50.01 H new ATOM 0 HA VAL A 51 12.512 6.450 -4.482 1.00 30.13 H new ATOM 0 HB VAL A 51 11.327 9.170 -3.770 1.00 13.41 H new ATOM 0 HG11 VAL A 51 13.646 9.822 -3.245 1.00 52.35 H new ATOM 0 HG12 VAL A 51 13.074 8.504 -2.194 1.00 52.35 H new ATOM 0 HG13 VAL A 51 14.180 8.151 -3.543 1.00 52.35 H new ATOM 0 HG21 VAL A 51 12.792 10.036 -5.562 1.00 75.34 H new ATOM 0 HG22 VAL A 51 13.278 8.371 -5.961 1.00 75.34 H new ATOM 0 HG23 VAL A 51 11.589 8.884 -6.191 1.00 75.34 H new ATOM 804 N CYS A 52 12.171 5.797 -2.105 1.00 25.02 N ATOM 805 CA CYS A 52 11.946 5.299 -0.743 1.00 54.52 C ATOM 806 C CYS A 52 13.210 5.420 0.120 1.00 61.03 C ATOM 807 O CYS A 52 14.327 5.237 -0.367 1.00 43.30 O ATOM 808 CB CYS A 52 11.499 3.836 -0.793 1.00 35.52 C ATOM 809 SG CYS A 52 12.708 2.723 -1.553 1.00 55.30 S ATOM 0 H CYS A 52 13.003 5.416 -2.557 1.00 25.02 H new ATOM 0 HA CYS A 52 11.167 5.911 -0.289 1.00 54.52 H new ATOM 0 HB2 CYS A 52 11.293 3.495 0.222 1.00 35.52 H new ATOM 0 HB3 CYS A 52 10.562 3.772 -1.347 1.00 35.52 H new ATOM 0 HG CYS A 52 12.088 1.732 -2.122 1.00 55.30 H new ATOM 815 N LYS A 53 13.029 5.729 1.403 1.00 44.14 N ATOM 816 CA LYS A 53 14.151 5.830 2.348 1.00 14.13 C ATOM 817 C LYS A 53 14.397 4.496 3.070 1.00 63.44 C ATOM 818 O LYS A 53 13.538 4.007 3.809 1.00 2.12 O ATOM 819 CB LYS A 53 13.888 6.940 3.381 1.00 53.11 C ATOM 820 CG LYS A 53 13.903 8.344 2.793 1.00 12.12 C ATOM 821 CD LYS A 53 13.414 9.407 3.784 1.00 13.32 C ATOM 822 CE LYS A 53 14.342 9.574 4.992 1.00 72.02 C ATOM 823 NZ LYS A 53 14.165 8.504 6.016 1.00 64.14 N ATOM 0 H LYS A 53 12.116 5.915 1.817 1.00 44.14 H new ATOM 0 HA LYS A 53 15.043 6.078 1.773 1.00 14.13 H new ATOM 0 HB2 LYS A 53 12.921 6.764 3.851 1.00 53.11 H new ATOM 0 HB3 LYS A 53 14.641 6.877 4.167 1.00 53.11 H new ATOM 0 HG2 LYS A 53 14.916 8.589 2.475 1.00 12.12 H new ATOM 0 HG3 LYS A 53 13.275 8.367 1.903 1.00 12.12 H new ATOM 0 HD2 LYS A 53 13.324 10.363 3.268 1.00 13.32 H new ATOM 0 HD3 LYS A 53 12.417 9.138 4.133 1.00 13.32 H new ATOM 0 HE2 LYS A 53 15.377 9.575 4.650 1.00 72.02 H new ATOM 0 HE3 LYS A 53 14.158 10.544 5.453 1.00 72.02 H new ATOM 0 HZ1 LYS A 53 14.133 8.932 6.963 1.00 64.14 H new ATOM 0 HZ2 LYS A 53 13.277 7.994 5.836 1.00 64.14 H new ATOM 0 HZ3 LYS A 53 14.962 7.838 5.964 1.00 64.14 H new ATOM 837 N ILE A 54 15.570 3.912 2.834 1.00 3.11 N ATOM 838 CA ILE A 54 16.003 2.694 3.531 1.00 12.40 C ATOM 839 C ILE A 54 17.357 2.940 4.209 1.00 34.43 C ATOM 840 O ILE A 54 18.260 3.492 3.589 1.00 72.44 O ATOM 841 CB ILE A 54 16.146 1.494 2.557 1.00 62.23 C ATOM 842 CG1 ILE A 54 14.837 1.260 1.785 1.00 25.41 C ATOM 843 CG2 ILE A 54 16.557 0.233 3.317 1.00 50.01 C ATOM 844 CD1 ILE A 54 14.909 0.118 0.790 1.00 53.52 C ATOM 0 H ILE A 54 16.247 4.265 2.158 1.00 3.11 H new ATOM 0 HA ILE A 54 15.241 2.451 4.271 1.00 12.40 H new ATOM 0 HB ILE A 54 16.928 1.730 1.835 1.00 62.23 H new ATOM 0 HG12 ILE A 54 14.037 1.059 2.497 1.00 25.41 H new ATOM 0 HG13 ILE A 54 14.570 2.175 1.256 1.00 25.41 H new ATOM 0 HG21 ILE A 54 16.652 -0.598 2.618 1.00 50.01 H new ATOM 0 HG22 ILE A 54 17.513 0.402 3.812 1.00 50.01 H new ATOM 0 HG23 ILE A 54 15.799 -0.006 4.063 1.00 50.01 H new ATOM 0 HD11 ILE A 54 13.949 0.014 0.285 1.00 53.52 H new ATOM 0 HD12 ILE A 54 15.686 0.325 0.054 1.00 53.52 H new ATOM 0 HD13 ILE A 54 15.144 -0.808 1.315 1.00 53.52 H new ATOM 856 N GLY A 55 17.496 2.545 5.472 1.00 2.31 N ATOM 857 CA GLY A 55 18.740 2.792 6.202 1.00 23.32 C ATOM 858 C GLY A 55 19.184 4.258 6.165 1.00 11.21 C ATOM 859 O GLY A 55 20.380 4.551 6.106 1.00 34.34 O ATOM 0 H GLY A 55 16.775 2.060 6.006 1.00 2.31 H new ATOM 0 HA2 GLY A 55 18.611 2.485 7.240 1.00 23.32 H new ATOM 0 HA3 GLY A 55 19.530 2.170 5.781 1.00 23.32 H new ATOM 863 N ASN A 56 18.204 5.170 6.187 1.00 65.23 N ATOM 864 CA ASN A 56 18.450 6.625 6.170 1.00 54.23 C ATOM 865 C ASN A 56 19.019 7.134 4.830 1.00 44.33 C ATOM 866 O ASN A 56 19.482 8.272 4.744 1.00 25.43 O ATOM 867 CB ASN A 56 19.374 7.041 7.322 1.00 32.15 C ATOM 868 CG ASN A 56 18.764 6.760 8.681 1.00 31.12 C ATOM 869 OD1 ASN A 56 18.017 7.571 9.219 1.00 73.42 O ATOM 870 ND2 ASN A 56 19.084 5.615 9.251 1.00 43.14 N ATOM 0 H ASN A 56 17.215 4.923 6.217 1.00 65.23 H new ATOM 0 HA ASN A 56 17.474 7.092 6.299 1.00 54.23 H new ATOM 0 HB2 ASN A 56 20.321 6.509 7.235 1.00 32.15 H new ATOM 0 HB3 ASN A 56 19.597 8.105 7.240 1.00 32.15 H new ATOM 0 HD21 ASN A 56 18.707 5.380 10.169 1.00 43.14 H new ATOM 0 HD22 ASN A 56 19.708 4.965 8.774 1.00 43.14 H new ATOM 877 N ARG A 57 18.975 6.312 3.782 1.00 21.15 N ATOM 878 CA ARG A 57 19.435 6.743 2.450 1.00 3.21 C ATOM 879 C ARG A 57 18.307 6.654 1.405 1.00 11.32 C ATOM 880 O ARG A 57 17.412 5.812 1.501 1.00 12.12 O ATOM 881 CB ARG A 57 20.664 5.929 2.011 1.00 2.44 C ATOM 882 CG ARG A 57 20.426 4.427 1.915 1.00 63.20 C ATOM 883 CD ARG A 57 21.719 3.660 1.661 1.00 3.41 C ATOM 884 NE ARG A 57 21.489 2.223 1.524 1.00 5.13 N ATOM 885 CZ ARG A 57 22.109 1.305 2.218 1.00 43.23 C ATOM 886 NH1 ARG A 57 22.942 1.633 3.153 1.00 70.24 N ATOM 887 NH2 ARG A 57 21.875 0.055 1.988 1.00 11.55 N ATOM 0 H ARG A 57 18.630 5.353 3.822 1.00 21.15 H new ATOM 0 HA ARG A 57 19.727 7.791 2.521 1.00 3.21 H new ATOM 0 HB2 ARG A 57 20.998 6.294 1.040 1.00 2.44 H new ATOM 0 HB3 ARG A 57 21.475 6.111 2.716 1.00 2.44 H new ATOM 0 HG2 ARG A 57 19.969 4.072 2.839 1.00 63.20 H new ATOM 0 HG3 ARG A 57 19.719 4.222 1.111 1.00 63.20 H new ATOM 0 HD2 ARG A 57 22.192 4.039 0.755 1.00 3.41 H new ATOM 0 HD3 ARG A 57 22.413 3.839 2.482 1.00 3.41 H new ATOM 0 HE ARG A 57 20.797 1.916 0.840 1.00 5.13 H new ATOM 0 HH11 ARG A 57 23.121 2.617 3.355 1.00 70.24 H new ATOM 0 HH12 ARG A 57 23.420 0.908 3.688 1.00 70.24 H new ATOM 0 HH21 ARG A 57 21.207 -0.214 1.266 1.00 11.55 H new ATOM 0 HH22 ARG A 57 22.358 -0.662 2.529 1.00 11.55 H new ATOM 901 N ASN A 58 18.361 7.540 0.410 1.00 24.40 N ATOM 902 CA ASN A 58 17.305 7.652 -0.608 1.00 62.11 C ATOM 903 C ASN A 58 17.537 6.676 -1.771 1.00 61.24 C ATOM 904 O ASN A 58 18.561 6.743 -2.455 1.00 31.24 O ATOM 905 CB ASN A 58 17.257 9.086 -1.150 1.00 14.44 C ATOM 906 CG ASN A 58 17.203 10.119 -0.041 1.00 23.11 C ATOM 907 OD1 ASN A 58 18.230 10.534 0.479 1.00 41.53 O ATOM 908 ND2 ASN A 58 16.012 10.553 0.320 1.00 71.22 N ATOM 0 H ASN A 58 19.130 8.198 0.283 1.00 24.40 H new ATOM 0 HA ASN A 58 16.357 7.399 -0.134 1.00 62.11 H new ATOM 0 HB2 ASN A 58 18.135 9.267 -1.770 1.00 14.44 H new ATOM 0 HB3 ASN A 58 16.384 9.200 -1.793 1.00 14.44 H new ATOM 0 HD21 ASN A 58 15.926 11.256 1.054 1.00 71.22 H new ATOM 0 HD22 ASN A 58 15.176 10.186 -0.134 1.00 71.22 H new ATOM 915 N ILE A 59 16.582 5.779 -2.001 1.00 3.41 N ATOM 916 CA ILE A 59 16.684 4.790 -3.081 1.00 71.04 C ATOM 917 C ILE A 59 15.580 4.992 -4.137 1.00 30.44 C ATOM 918 O ILE A 59 14.417 5.212 -3.797 1.00 5.52 O ATOM 919 CB ILE A 59 16.594 3.346 -2.518 1.00 43.44 C ATOM 920 CG1 ILE A 59 17.663 3.119 -1.431 1.00 12.21 C ATOM 921 CG2 ILE A 59 16.733 2.313 -3.637 1.00 74.22 C ATOM 922 CD1 ILE A 59 19.085 3.329 -1.908 1.00 63.42 C ATOM 0 H ILE A 59 15.724 5.713 -1.454 1.00 3.41 H new ATOM 0 HA ILE A 59 17.654 4.934 -3.556 1.00 71.04 H new ATOM 0 HB ILE A 59 15.611 3.221 -2.064 1.00 43.44 H new ATOM 0 HG12 ILE A 59 17.467 3.794 -0.598 1.00 12.21 H new ATOM 0 HG13 ILE A 59 17.566 2.103 -1.048 1.00 12.21 H new ATOM 0 HG21 ILE A 59 16.667 1.310 -3.216 1.00 74.22 H new ATOM 0 HG22 ILE A 59 15.934 2.455 -4.365 1.00 74.22 H new ATOM 0 HG23 ILE A 59 17.698 2.437 -4.129 1.00 74.22 H new ATOM 0 HD11 ILE A 59 19.775 3.150 -1.084 1.00 63.42 H new ATOM 0 HD12 ILE A 59 19.302 2.636 -2.721 1.00 63.42 H new ATOM 0 HD13 ILE A 59 19.202 4.353 -2.263 1.00 63.42 H new ATOM 934 N THR A 60 15.956 4.919 -5.415 1.00 72.35 N ATOM 935 CA THR A 60 14.995 5.035 -6.528 1.00 50.31 C ATOM 936 C THR A 60 14.709 3.659 -7.151 1.00 14.23 C ATOM 937 O THR A 60 15.633 2.952 -7.561 1.00 73.10 O ATOM 938 CB THR A 60 15.526 5.984 -7.633 1.00 24.12 C ATOM 939 OG1 THR A 60 15.785 7.290 -7.086 1.00 35.22 O ATOM 940 CG2 THR A 60 14.531 6.101 -8.786 1.00 11.53 C ATOM 0 H THR A 60 16.922 4.780 -5.712 1.00 72.35 H new ATOM 0 HA THR A 60 14.075 5.447 -6.114 1.00 50.31 H new ATOM 0 HB THR A 60 16.454 5.560 -8.018 1.00 24.12 H new ATOM 0 HG1 THR A 60 16.121 7.880 -7.793 1.00 35.22 H new ATOM 0 HG21 THR A 60 14.931 6.773 -9.545 1.00 11.53 H new ATOM 0 HG22 THR A 60 14.364 5.117 -9.224 1.00 11.53 H new ATOM 0 HG23 THR A 60 13.586 6.497 -8.413 1.00 11.53 H new ATOM 948 N LEU A 61 13.432 3.280 -7.236 1.00 71.13 N ATOM 949 CA LEU A 61 13.059 1.947 -7.733 1.00 42.12 C ATOM 950 C LEU A 61 11.919 2.030 -8.772 1.00 14.45 C ATOM 951 O LEU A 61 10.994 2.830 -8.634 1.00 5.52 O ATOM 952 CB LEU A 61 12.652 1.063 -6.532 1.00 21.01 C ATOM 953 CG LEU A 61 12.976 -0.442 -6.646 1.00 22.35 C ATOM 954 CD1 LEU A 61 12.102 -1.130 -7.686 1.00 44.54 C ATOM 955 CD2 LEU A 61 14.457 -0.652 -6.963 1.00 51.45 C ATOM 0 H LEU A 61 12.643 3.869 -6.971 1.00 71.13 H new ATOM 0 HA LEU A 61 13.916 1.502 -8.240 1.00 42.12 H new ATOM 0 HB2 LEU A 61 13.143 1.452 -5.640 1.00 21.01 H new ATOM 0 HB3 LEU A 61 11.578 1.170 -6.377 1.00 21.01 H new ATOM 0 HG LEU A 61 12.758 -0.898 -5.680 1.00 22.35 H new ATOM 0 HD11 LEU A 61 12.361 -2.188 -7.736 1.00 44.54 H new ATOM 0 HD12 LEU A 61 11.054 -1.026 -7.407 1.00 44.54 H new ATOM 0 HD13 LEU A 61 12.265 -0.670 -8.660 1.00 44.54 H new ATOM 0 HD21 LEU A 61 14.665 -1.719 -7.039 1.00 51.45 H new ATOM 0 HD22 LEU A 61 14.699 -0.167 -7.908 1.00 51.45 H new ATOM 0 HD23 LEU A 61 15.064 -0.220 -6.168 1.00 51.45 H new ATOM 967 N ARG A 62 12.003 1.210 -9.824 1.00 65.23 N ATOM 968 CA ARG A 62 10.962 1.155 -10.867 1.00 44.53 C ATOM 969 C ARG A 62 9.735 0.332 -10.423 1.00 24.32 C ATOM 970 O ARG A 62 9.867 -0.673 -9.729 1.00 34.44 O ATOM 971 CB ARG A 62 11.538 0.563 -12.162 1.00 32.52 C ATOM 972 CG ARG A 62 12.523 1.481 -12.879 1.00 43.53 C ATOM 973 CD ARG A 62 11.843 2.748 -13.383 1.00 63.24 C ATOM 974 NE ARG A 62 12.750 3.599 -14.146 1.00 24.53 N ATOM 975 CZ ARG A 62 12.385 4.674 -14.788 1.00 13.35 C ATOM 976 NH1 ARG A 62 11.146 5.052 -14.812 1.00 12.15 N ATOM 977 NH2 ARG A 62 13.264 5.366 -15.431 1.00 60.32 N ATOM 0 H ARG A 62 12.783 0.571 -9.980 1.00 65.23 H new ATOM 0 HA ARG A 62 10.631 2.178 -11.043 1.00 44.53 H new ATOM 0 HB2 ARG A 62 12.037 -0.377 -11.929 1.00 32.52 H new ATOM 0 HB3 ARG A 62 10.717 0.329 -12.839 1.00 32.52 H new ATOM 0 HG2 ARG A 62 13.333 1.747 -12.200 1.00 43.53 H new ATOM 0 HG3 ARG A 62 12.972 0.950 -13.718 1.00 43.53 H new ATOM 0 HD2 ARG A 62 10.992 2.477 -14.007 1.00 63.24 H new ATOM 0 HD3 ARG A 62 11.450 3.309 -12.535 1.00 63.24 H new ATOM 0 HE ARG A 62 13.735 3.336 -14.180 1.00 24.53 H new ATOM 0 HH11 ARG A 62 10.437 4.506 -14.323 1.00 12.15 H new ATOM 0 HH12 ARG A 62 10.880 5.896 -15.320 1.00 12.15 H new ATOM 0 HH21 ARG A 62 14.241 5.072 -15.436 1.00 60.32 H new ATOM 0 HH22 ARG A 62 12.982 6.207 -15.934 1.00 60.32 H new ATOM 991 N LYS A 63 8.546 0.748 -10.867 1.00 0.31 N ATOM 992 CA LYS A 63 7.289 0.085 -10.482 1.00 34.50 C ATOM 993 C LYS A 63 7.298 -1.403 -10.884 1.00 73.31 C ATOM 994 O LYS A 63 6.913 -2.276 -10.102 1.00 34.52 O ATOM 995 CB LYS A 63 6.102 0.802 -11.147 1.00 12.34 C ATOM 996 CG LYS A 63 4.747 0.567 -10.469 1.00 25.13 C ATOM 997 CD LYS A 63 3.689 0.030 -11.436 1.00 74.40 C ATOM 998 CE LYS A 63 3.902 -1.447 -11.747 1.00 52.01 C ATOM 999 NZ LYS A 63 3.741 -2.288 -10.532 1.00 45.51 N ATOM 0 H LYS A 63 8.423 1.542 -11.495 1.00 0.31 H new ATOM 0 HA LYS A 63 7.189 0.140 -9.398 1.00 34.50 H new ATOM 0 HB2 LYS A 63 6.304 1.873 -11.161 1.00 12.34 H new ATOM 0 HB3 LYS A 63 6.034 0.476 -12.185 1.00 12.34 H new ATOM 0 HG2 LYS A 63 4.874 -0.138 -9.647 1.00 25.13 H new ATOM 0 HG3 LYS A 63 4.395 1.503 -10.035 1.00 25.13 H new ATOM 0 HD2 LYS A 63 2.698 0.171 -11.005 1.00 74.40 H new ATOM 0 HD3 LYS A 63 3.719 0.604 -12.362 1.00 74.40 H new ATOM 0 HE2 LYS A 63 3.190 -1.766 -12.508 1.00 52.01 H new ATOM 0 HE3 LYS A 63 4.899 -1.592 -12.162 1.00 52.01 H new ATOM 0 HZ1 LYS A 63 4.522 -2.972 -10.477 1.00 45.51 H new ATOM 0 HZ2 LYS A 63 3.751 -1.682 -9.687 1.00 45.51 H new ATOM 0 HZ3 LYS A 63 2.837 -2.799 -10.581 1.00 45.51 H new ATOM 1013 N ARG A 64 7.736 -1.670 -12.118 1.00 25.13 N ATOM 1014 CA ARG A 64 7.875 -3.045 -12.629 1.00 55.01 C ATOM 1015 C ARG A 64 8.700 -3.925 -11.678 1.00 43.01 C ATOM 1016 O ARG A 64 8.325 -5.059 -11.380 1.00 54.22 O ATOM 1017 CB ARG A 64 8.528 -3.035 -14.025 1.00 21.35 C ATOM 1018 CG ARG A 64 9.712 -2.076 -14.151 1.00 55.43 C ATOM 1019 CD ARG A 64 10.521 -2.311 -15.426 1.00 12.04 C ATOM 1020 NE ARG A 64 11.396 -3.474 -15.304 1.00 10.02 N ATOM 1021 CZ ARG A 64 12.485 -3.656 -16.002 1.00 14.42 C ATOM 1022 NH1 ARG A 64 12.832 -2.816 -16.924 1.00 3.44 N ATOM 1023 NH2 ARG A 64 13.233 -4.684 -15.765 1.00 23.33 N ATOM 0 H ARG A 64 8.003 -0.949 -12.789 1.00 25.13 H new ATOM 0 HA ARG A 64 6.873 -3.469 -12.699 1.00 55.01 H new ATOM 0 HB2 ARG A 64 8.864 -4.044 -14.265 1.00 21.35 H new ATOM 0 HB3 ARG A 64 7.775 -2.765 -14.765 1.00 21.35 H new ATOM 0 HG2 ARG A 64 9.347 -1.049 -14.140 1.00 55.43 H new ATOM 0 HG3 ARG A 64 10.363 -2.192 -13.285 1.00 55.43 H new ATOM 0 HD2 ARG A 64 9.842 -2.453 -16.267 1.00 12.04 H new ATOM 0 HD3 ARG A 64 11.119 -1.427 -15.645 1.00 12.04 H new ATOM 0 HE ARG A 64 11.139 -4.193 -14.628 1.00 10.02 H new ATOM 0 HH11 ARG A 64 12.252 -1.999 -17.114 1.00 3.44 H new ATOM 0 HH12 ARG A 64 13.685 -2.972 -17.461 1.00 3.44 H new ATOM 0 HH21 ARG A 64 12.971 -5.348 -15.036 1.00 23.33 H new ATOM 0 HH22 ARG A 64 14.084 -4.831 -16.307 1.00 23.33 H new ATOM 1037 N GLU A 65 9.820 -3.391 -11.197 1.00 4.24 N ATOM 1038 CA GLU A 65 10.707 -4.137 -10.301 1.00 4.44 C ATOM 1039 C GLU A 65 10.172 -4.113 -8.862 1.00 32.04 C ATOM 1040 O GLU A 65 10.508 -4.968 -8.046 1.00 74.40 O ATOM 1041 CB GLU A 65 12.125 -3.552 -10.356 1.00 73.40 C ATOM 1042 CG GLU A 65 12.640 -3.297 -11.774 1.00 22.10 C ATOM 1043 CD GLU A 65 12.734 -4.556 -12.633 1.00 54.51 C ATOM 1044 OE1 GLU A 65 11.681 -5.094 -13.038 1.00 22.44 O ATOM 1045 OE2 GLU A 65 13.862 -4.985 -12.950 1.00 12.42 O ATOM 0 H GLU A 65 10.137 -2.445 -11.411 1.00 4.24 H new ATOM 0 HA GLU A 65 10.741 -5.175 -10.633 1.00 4.44 H new ATOM 0 HB2 GLU A 65 12.142 -2.614 -9.801 1.00 73.40 H new ATOM 0 HB3 GLU A 65 12.808 -4.234 -9.850 1.00 73.40 H new ATOM 0 HG2 GLU A 65 11.981 -2.581 -12.266 1.00 22.10 H new ATOM 0 HG3 GLU A 65 13.625 -2.835 -11.715 1.00 22.10 H new ATOM 1052 N ALA A 66 9.325 -3.129 -8.564 1.00 72.44 N ATOM 1053 CA ALA A 66 8.681 -3.029 -7.253 1.00 3.03 C ATOM 1054 C ALA A 66 7.663 -4.165 -7.044 1.00 2.51 C ATOM 1055 O ALA A 66 7.212 -4.412 -5.926 1.00 55.30 O ATOM 1056 CB ALA A 66 8.017 -1.666 -7.096 1.00 25.33 C ATOM 0 H ALA A 66 9.067 -2.387 -9.214 1.00 72.44 H new ATOM 0 HA ALA A 66 9.448 -3.132 -6.486 1.00 3.03 H new ATOM 0 HB1 ALA A 66 7.541 -1.604 -6.117 1.00 25.33 H new ATOM 0 HB2 ALA A 66 8.769 -0.882 -7.185 1.00 25.33 H new ATOM 0 HB3 ALA A 66 7.265 -1.536 -7.874 1.00 25.33 H new ATOM 1062 N ASP A 67 7.286 -4.834 -8.137 1.00 45.13 N ATOM 1063 CA ASP A 67 6.498 -6.075 -8.060 1.00 44.12 C ATOM 1064 C ASP A 67 7.358 -7.274 -7.608 1.00 4.03 C ATOM 1065 O ASP A 67 6.833 -8.351 -7.311 1.00 71.02 O ATOM 1066 CB ASP A 67 5.850 -6.384 -9.421 1.00 55.40 C ATOM 1067 CG ASP A 67 4.524 -5.669 -9.614 1.00 65.34 C ATOM 1068 OD1 ASP A 67 4.451 -4.453 -9.366 1.00 74.23 O ATOM 1069 OD2 ASP A 67 3.527 -6.330 -9.981 1.00 42.45 O ATOM 0 H ASP A 67 7.512 -4.540 -9.087 1.00 45.13 H new ATOM 0 HA ASP A 67 5.719 -5.919 -7.313 1.00 44.12 H new ATOM 0 HB2 ASP A 67 6.534 -6.094 -10.219 1.00 55.40 H new ATOM 0 HB3 ASP A 67 5.695 -7.459 -9.509 1.00 55.40 H new ATOM 1074 N LEU A 68 8.677 -7.084 -7.566 1.00 72.23 N ATOM 1075 CA LEU A 68 9.613 -8.150 -7.181 1.00 63.40 C ATOM 1076 C LEU A 68 10.064 -8.027 -5.714 1.00 62.12 C ATOM 1077 O LEU A 68 10.490 -9.009 -5.105 1.00 31.20 O ATOM 1078 CB LEU A 68 10.829 -8.128 -8.121 1.00 52.55 C ATOM 1079 CG LEU A 68 10.498 -8.332 -9.611 1.00 52.25 C ATOM 1080 CD1 LEU A 68 11.734 -8.126 -10.483 1.00 41.35 C ATOM 1081 CD2 LEU A 68 9.897 -9.716 -9.844 1.00 53.21 C ATOM 0 H LEU A 68 9.127 -6.198 -7.795 1.00 72.23 H new ATOM 0 HA LEU A 68 9.093 -9.103 -7.273 1.00 63.40 H new ATOM 0 HB2 LEU A 68 11.343 -7.174 -8.005 1.00 52.55 H new ATOM 0 HB3 LEU A 68 11.526 -8.906 -7.808 1.00 52.55 H new ATOM 0 HG LEU A 68 9.759 -7.583 -9.897 1.00 52.25 H new ATOM 0 HD11 LEU A 68 11.470 -8.277 -11.530 1.00 41.35 H new ATOM 0 HD12 LEU A 68 12.111 -7.113 -10.346 1.00 41.35 H new ATOM 0 HD13 LEU A 68 12.505 -8.842 -10.197 1.00 41.35 H new ATOM 0 HD21 LEU A 68 9.670 -9.841 -10.903 1.00 53.21 H new ATOM 0 HD22 LEU A 68 10.610 -10.479 -9.534 1.00 53.21 H new ATOM 0 HD23 LEU A 68 8.981 -9.817 -9.262 1.00 53.21 H new ATOM 1093 N ILE A 69 9.980 -6.819 -5.153 1.00 31.31 N ATOM 1094 CA ILE A 69 10.312 -6.590 -3.736 1.00 75.52 C ATOM 1095 C ILE A 69 9.031 -6.495 -2.889 1.00 5.13 C ATOM 1096 O ILE A 69 8.024 -5.939 -3.329 1.00 41.20 O ATOM 1097 CB ILE A 69 11.150 -5.292 -3.525 1.00 51.10 C ATOM 1098 CG1 ILE A 69 12.512 -5.373 -4.245 1.00 33.34 C ATOM 1099 CG2 ILE A 69 11.358 -5.013 -2.034 1.00 45.15 C ATOM 1100 CD1 ILE A 69 12.430 -5.238 -5.752 1.00 20.34 C ATOM 0 H ILE A 69 9.685 -5.981 -5.654 1.00 31.31 H new ATOM 0 HA ILE A 69 10.912 -7.442 -3.418 1.00 75.52 H new ATOM 0 HB ILE A 69 10.585 -4.468 -3.961 1.00 51.10 H new ATOM 0 HG12 ILE A 69 13.162 -4.589 -3.857 1.00 33.34 H new ATOM 0 HG13 ILE A 69 12.982 -6.326 -4.002 1.00 33.34 H new ATOM 0 HG21 ILE A 69 11.945 -4.103 -1.913 1.00 45.15 H new ATOM 0 HG22 ILE A 69 10.390 -4.888 -1.549 1.00 45.15 H new ATOM 0 HG23 ILE A 69 11.887 -5.850 -1.578 1.00 45.15 H new ATOM 0 HD11 ILE A 69 13.431 -5.306 -6.178 1.00 20.34 H new ATOM 0 HD12 ILE A 69 11.808 -6.037 -6.156 1.00 20.34 H new ATOM 0 HD13 ILE A 69 11.992 -4.273 -6.008 1.00 20.34 H new ATOM 1112 N GLU A 70 9.070 -7.036 -1.674 1.00 23.03 N ATOM 1113 CA GLU A 70 7.910 -6.993 -0.777 1.00 4.42 C ATOM 1114 C GLU A 70 8.185 -6.179 0.496 1.00 32.14 C ATOM 1115 O GLU A 70 9.232 -6.323 1.131 1.00 64.34 O ATOM 1116 CB GLU A 70 7.472 -8.412 -0.401 1.00 1.31 C ATOM 1117 CG GLU A 70 6.402 -8.456 0.687 1.00 34.14 C ATOM 1118 CD GLU A 70 5.770 -9.827 0.834 1.00 24.34 C ATOM 1119 OE1 GLU A 70 6.384 -10.714 1.458 1.00 43.24 O ATOM 1120 OE2 GLU A 70 4.662 -10.028 0.306 1.00 32.33 O ATOM 0 H GLU A 70 9.887 -7.508 -1.286 1.00 23.03 H new ATOM 0 HA GLU A 70 7.108 -6.494 -1.320 1.00 4.42 H new ATOM 0 HB2 GLU A 70 7.093 -8.914 -1.291 1.00 1.31 H new ATOM 0 HB3 GLU A 70 8.343 -8.974 -0.065 1.00 1.31 H new ATOM 0 HG2 GLU A 70 6.845 -8.161 1.638 1.00 34.14 H new ATOM 0 HG3 GLU A 70 5.626 -7.726 0.457 1.00 34.14 H new ATOM 1127 N VAL A 71 7.223 -5.332 0.860 1.00 63.00 N ATOM 1128 CA VAL A 71 7.276 -4.554 2.101 1.00 4.22 C ATOM 1129 C VAL A 71 6.046 -4.850 2.976 1.00 51.10 C ATOM 1130 O VAL A 71 5.040 -5.376 2.492 1.00 51.44 O ATOM 1131 CB VAL A 71 7.346 -3.033 1.812 1.00 32.30 C ATOM 1132 CG1 VAL A 71 8.557 -2.709 0.939 1.00 32.32 C ATOM 1133 CG2 VAL A 71 6.052 -2.542 1.159 1.00 42.40 C ATOM 0 H VAL A 71 6.384 -5.165 0.304 1.00 63.00 H new ATOM 0 HA VAL A 71 8.181 -4.849 2.632 1.00 4.22 H new ATOM 0 HB VAL A 71 7.461 -2.509 2.761 1.00 32.30 H new ATOM 0 HG11 VAL A 71 8.590 -1.637 0.746 1.00 32.32 H new ATOM 0 HG12 VAL A 71 9.468 -3.014 1.454 1.00 32.32 H new ATOM 0 HG13 VAL A 71 8.478 -3.245 -0.007 1.00 32.32 H new ATOM 0 HG21 VAL A 71 6.125 -1.472 0.966 1.00 42.40 H new ATOM 0 HG22 VAL A 71 5.896 -3.071 0.219 1.00 42.40 H new ATOM 0 HG23 VAL A 71 5.212 -2.733 1.827 1.00 42.40 H new ATOM 1143 N GLU A 72 6.125 -4.512 4.257 1.00 1.44 N ATOM 1144 CA GLU A 72 5.021 -4.774 5.188 1.00 42.20 C ATOM 1145 C GLU A 72 4.839 -3.604 6.169 1.00 64.22 C ATOM 1146 O GLU A 72 5.785 -3.190 6.839 1.00 21.02 O ATOM 1147 CB GLU A 72 5.294 -6.089 5.928 1.00 1.52 C ATOM 1148 CG GLU A 72 4.062 -6.737 6.547 1.00 45.45 C ATOM 1149 CD GLU A 72 4.254 -8.234 6.751 1.00 75.42 C ATOM 1150 OE1 GLU A 72 4.069 -8.999 5.778 1.00 63.25 O ATOM 1151 OE2 GLU A 72 4.619 -8.658 7.867 1.00 23.30 O ATOM 0 H GLU A 72 6.935 -4.058 4.679 1.00 1.44 H new ATOM 0 HA GLU A 72 4.089 -4.868 4.630 1.00 42.20 H new ATOM 0 HB2 GLU A 72 5.748 -6.794 5.232 1.00 1.52 H new ATOM 0 HB3 GLU A 72 6.024 -5.903 6.715 1.00 1.52 H new ATOM 0 HG2 GLU A 72 3.845 -6.264 7.505 1.00 45.45 H new ATOM 0 HG3 GLU A 72 3.199 -6.565 5.904 1.00 45.45 H new ATOM 1158 N VAL A 73 3.617 -3.076 6.233 1.00 23.21 N ATOM 1159 CA VAL A 73 3.318 -1.867 7.013 1.00 32.24 C ATOM 1160 C VAL A 73 3.543 -2.070 8.524 1.00 13.11 C ATOM 1161 O VAL A 73 2.997 -2.990 9.130 1.00 64.23 O ATOM 1162 CB VAL A 73 1.857 -1.399 6.771 1.00 62.05 C ATOM 1163 CG1 VAL A 73 1.553 -0.116 7.548 1.00 64.13 C ATOM 1164 CG2 VAL A 73 1.594 -1.206 5.276 1.00 4.12 C ATOM 0 H VAL A 73 2.809 -3.468 5.750 1.00 23.21 H new ATOM 0 HA VAL A 73 4.012 -1.100 6.668 1.00 32.24 H new ATOM 0 HB VAL A 73 1.188 -2.177 7.139 1.00 62.05 H new ATOM 0 HG11 VAL A 73 0.523 0.188 7.360 1.00 64.13 H new ATOM 0 HG12 VAL A 73 1.689 -0.296 8.614 1.00 64.13 H new ATOM 0 HG13 VAL A 73 2.230 0.675 7.224 1.00 64.13 H new ATOM 0 HG21 VAL A 73 0.565 -0.878 5.127 1.00 4.12 H new ATOM 0 HG22 VAL A 73 2.276 -0.453 4.881 1.00 4.12 H new ATOM 0 HG23 VAL A 73 1.753 -2.149 4.754 1.00 4.12 H new ATOM 1174 N VAL A 74 4.350 -1.191 9.120 1.00 73.11 N ATOM 1175 CA VAL A 74 4.635 -1.238 10.562 1.00 52.22 C ATOM 1176 C VAL A 74 3.736 -0.251 11.338 1.00 44.15 C ATOM 1177 O VAL A 74 3.731 -0.227 12.570 1.00 12.25 O ATOM 1178 CB VAL A 74 6.132 -0.914 10.839 1.00 22.22 C ATOM 1179 CG1 VAL A 74 6.486 -1.105 12.314 1.00 43.33 C ATOM 1180 CG2 VAL A 74 7.040 -1.765 9.952 1.00 13.53 C ATOM 0 H VAL A 74 4.822 -0.433 8.627 1.00 73.11 H new ATOM 0 HA VAL A 74 4.421 -2.250 10.907 1.00 52.22 H new ATOM 0 HB VAL A 74 6.293 0.136 10.595 1.00 22.22 H new ATOM 0 HG11 VAL A 74 7.539 -0.870 12.469 1.00 43.33 H new ATOM 0 HG12 VAL A 74 5.872 -0.442 12.924 1.00 43.33 H new ATOM 0 HG13 VAL A 74 6.299 -2.140 12.602 1.00 43.33 H new ATOM 0 HG21 VAL A 74 8.082 -1.524 10.161 1.00 13.53 H new ATOM 0 HG22 VAL A 74 6.864 -2.821 10.158 1.00 13.53 H new ATOM 0 HG23 VAL A 74 6.822 -1.558 8.904 1.00 13.53 H new ATOM 1190 N GLY A 75 2.972 0.560 10.605 1.00 62.23 N ATOM 1191 CA GLY A 75 2.084 1.540 11.229 1.00 53.14 C ATOM 1192 C GLY A 75 0.865 0.921 11.920 1.00 54.43 C ATOM 1193 O GLY A 75 0.740 -0.301 12.014 1.00 71.14 O ATOM 0 H GLY A 75 2.950 0.558 9.585 1.00 62.23 H new ATOM 0 HA2 GLY A 75 2.651 2.115 11.961 1.00 53.14 H new ATOM 0 HA3 GLY A 75 1.741 2.241 10.468 1.00 53.14 H new ATOM 1197 N GLY A 76 -0.041 1.774 12.403 1.00 44.42 N ATOM 1198 CA GLY A 76 -1.234 1.295 13.100 1.00 74.34 C ATOM 1199 C GLY A 76 -2.205 0.533 12.197 1.00 23.42 C ATOM 1200 O GLY A 76 -2.829 -0.440 12.627 1.00 50.42 O ATOM 0 H GLY A 76 0.028 2.789 12.325 1.00 44.42 H new ATOM 0 HA2 GLY A 76 -0.929 0.646 13.921 1.00 74.34 H new ATOM 0 HA3 GLY A 76 -1.753 2.146 13.542 1.00 74.34 H new ATOM 1204 N GLU A 77 -2.349 0.985 10.953 1.00 62.33 N ATOM 1205 CA GLU A 77 -3.238 0.336 9.984 1.00 71.41 C ATOM 1206 C GLU A 77 -2.789 0.614 8.539 1.00 72.32 C ATOM 1207 O GLU A 77 -1.814 1.332 8.307 1.00 21.31 O ATOM 1208 CB GLU A 77 -4.694 0.799 10.185 1.00 40.54 C ATOM 1209 CG GLU A 77 -4.924 2.301 10.014 1.00 3.01 C ATOM 1210 CD GLU A 77 -4.310 3.139 11.127 1.00 71.32 C ATOM 1211 OE1 GLU A 77 -4.763 3.023 12.282 1.00 15.03 O ATOM 1212 OE2 GLU A 77 -3.389 3.935 10.849 1.00 43.40 O ATOM 0 H GLU A 77 -1.860 1.802 10.588 1.00 62.33 H new ATOM 0 HA GLU A 77 -3.184 -0.739 10.156 1.00 71.41 H new ATOM 0 HB2 GLU A 77 -5.330 0.267 9.478 1.00 40.54 H new ATOM 0 HB3 GLU A 77 -5.017 0.509 11.185 1.00 40.54 H new ATOM 0 HG2 GLU A 77 -4.506 2.618 9.058 1.00 3.01 H new ATOM 0 HG3 GLU A 77 -5.996 2.494 9.973 1.00 3.01 H new ATOM 1219 N LEU A 78 -3.504 0.044 7.568 1.00 73.45 N ATOM 1220 CA LEU A 78 -3.161 0.228 6.153 1.00 34.10 C ATOM 1221 C LEU A 78 -4.417 0.480 5.298 1.00 43.24 C ATOM 1222 O LEU A 78 -5.483 -0.083 5.558 1.00 2.23 O ATOM 1223 CB LEU A 78 -2.373 -0.987 5.608 1.00 52.30 C ATOM 1224 CG LEU A 78 -3.154 -2.311 5.435 1.00 64.34 C ATOM 1225 CD1 LEU A 78 -2.302 -3.342 4.694 1.00 61.24 C ATOM 1226 CD2 LEU A 78 -3.604 -2.880 6.778 1.00 64.54 C ATOM 0 H LEU A 78 -4.320 -0.546 7.732 1.00 73.45 H new ATOM 0 HA LEU A 78 -2.524 1.110 6.086 1.00 34.10 H new ATOM 0 HB2 LEU A 78 -1.954 -0.712 4.640 1.00 52.30 H new ATOM 0 HB3 LEU A 78 -1.533 -1.174 6.277 1.00 52.30 H new ATOM 0 HG LEU A 78 -4.044 -2.089 4.847 1.00 64.34 H new ATOM 0 HD11 LEU A 78 -2.867 -4.267 4.581 1.00 61.24 H new ATOM 0 HD12 LEU A 78 -2.038 -2.956 3.710 1.00 61.24 H new ATOM 0 HD13 LEU A 78 -1.393 -3.539 5.262 1.00 61.24 H new ATOM 0 HD21 LEU A 78 -4.149 -3.810 6.615 1.00 64.54 H new ATOM 0 HD22 LEU A 78 -2.731 -3.075 7.401 1.00 64.54 H new ATOM 0 HD23 LEU A 78 -4.253 -2.162 7.278 1.00 64.54 H new ATOM 1238 N PRO A 79 -4.317 1.356 4.276 1.00 60.20 N ATOM 1239 CA PRO A 79 -5.435 1.641 3.358 1.00 51.23 C ATOM 1240 C PRO A 79 -5.947 0.391 2.619 1.00 54.31 C ATOM 1241 O PRO A 79 -5.232 -0.598 2.463 1.00 4.00 O ATOM 1242 CB PRO A 79 -4.844 2.658 2.362 1.00 44.33 C ATOM 1243 CG PRO A 79 -3.366 2.526 2.506 1.00 54.13 C ATOM 1244 CD PRO A 79 -3.127 2.154 3.942 1.00 72.34 C ATOM 0 HA PRO A 79 -6.305 2.012 3.899 1.00 51.23 H new ATOM 0 HB2 PRO A 79 -5.162 2.442 1.342 1.00 44.33 H new ATOM 0 HB3 PRO A 79 -5.174 3.671 2.591 1.00 44.33 H new ATOM 0 HG2 PRO A 79 -2.974 1.763 1.834 1.00 54.13 H new ATOM 0 HG3 PRO A 79 -2.864 3.460 2.255 1.00 54.13 H new ATOM 0 HD2 PRO A 79 -2.208 1.580 4.063 1.00 72.34 H new ATOM 0 HD3 PRO A 79 -3.039 3.035 4.578 1.00 72.34 H new ATOM 1252 N LEU A 80 -7.186 0.466 2.142 1.00 25.23 N ATOM 1253 CA LEU A 80 -7.848 -0.657 1.474 1.00 34.33 C ATOM 1254 C LEU A 80 -7.091 -1.060 0.191 1.00 42.32 C ATOM 1255 O LEU A 80 -7.083 -2.227 -0.197 1.00 73.42 O ATOM 1256 CB LEU A 80 -9.319 -0.265 1.193 1.00 20.33 C ATOM 1257 CG LEU A 80 -10.277 -1.376 0.707 1.00 12.53 C ATOM 1258 CD1 LEU A 80 -10.111 -1.641 -0.784 1.00 43.32 C ATOM 1259 CD2 LEU A 80 -10.078 -2.661 1.512 1.00 73.41 C ATOM 0 H LEU A 80 -7.762 1.305 2.206 1.00 25.23 H new ATOM 0 HA LEU A 80 -7.839 -1.536 2.119 1.00 34.33 H new ATOM 0 HB2 LEU A 80 -9.734 0.159 2.107 1.00 20.33 H new ATOM 0 HB3 LEU A 80 -9.318 0.528 0.445 1.00 20.33 H new ATOM 0 HG LEU A 80 -11.296 -1.026 0.871 1.00 12.53 H new ATOM 0 HD11 LEU A 80 -10.799 -2.428 -1.093 1.00 43.32 H new ATOM 0 HD12 LEU A 80 -10.327 -0.730 -1.342 1.00 43.32 H new ATOM 0 HD13 LEU A 80 -9.087 -1.955 -0.986 1.00 43.32 H new ATOM 0 HD21 LEU A 80 -10.764 -3.427 1.150 1.00 73.41 H new ATOM 0 HD22 LEU A 80 -9.052 -3.009 1.395 1.00 73.41 H new ATOM 0 HD23 LEU A 80 -10.276 -2.465 2.566 1.00 73.41 H new ATOM 1271 N ILE A 81 -6.425 -0.095 -0.445 1.00 33.43 N ATOM 1272 CA ILE A 81 -5.596 -0.376 -1.628 1.00 14.33 C ATOM 1273 C ILE A 81 -4.408 -1.303 -1.284 1.00 34.23 C ATOM 1274 O ILE A 81 -3.824 -1.941 -2.163 1.00 63.05 O ATOM 1275 CB ILE A 81 -5.065 0.935 -2.273 1.00 34.05 C ATOM 1276 CG1 ILE A 81 -4.414 0.649 -3.640 1.00 41.24 C ATOM 1277 CG2 ILE A 81 -4.076 1.639 -1.341 1.00 35.33 C ATOM 1278 CD1 ILE A 81 -5.361 0.044 -4.658 1.00 32.55 C ATOM 0 H ILE A 81 -6.440 0.886 -0.166 1.00 33.43 H new ATOM 0 HA ILE A 81 -6.238 -0.886 -2.346 1.00 14.33 H new ATOM 0 HB ILE A 81 -5.914 1.599 -2.433 1.00 34.05 H new ATOM 0 HG12 ILE A 81 -4.011 1.579 -4.041 1.00 41.24 H new ATOM 0 HG13 ILE A 81 -3.571 -0.027 -3.496 1.00 41.24 H new ATOM 0 HG21 ILE A 81 -3.718 2.554 -1.814 1.00 35.33 H new ATOM 0 HG22 ILE A 81 -4.573 1.886 -0.403 1.00 35.33 H new ATOM 0 HG23 ILE A 81 -3.231 0.979 -1.141 1.00 35.33 H new ATOM 0 HD11 ILE A 81 -4.828 -0.128 -5.593 1.00 32.55 H new ATOM 0 HD12 ILE A 81 -5.745 -0.903 -4.280 1.00 32.55 H new ATOM 0 HD13 ILE A 81 -6.191 0.728 -4.834 1.00 32.55 H new ATOM 1290 N LEU A 82 -4.057 -1.375 0.002 1.00 61.53 N ATOM 1291 CA LEU A 82 -2.982 -2.263 0.477 1.00 53.42 C ATOM 1292 C LEU A 82 -3.529 -3.593 1.014 1.00 21.21 C ATOM 1293 O LEU A 82 -2.763 -4.451 1.457 1.00 12.32 O ATOM 1294 CB LEU A 82 -2.168 -1.571 1.579 1.00 4.52 C ATOM 1295 CG LEU A 82 -1.246 -0.441 1.108 1.00 55.33 C ATOM 1296 CD1 LEU A 82 -0.516 0.185 2.292 1.00 23.03 C ATOM 1297 CD2 LEU A 82 -0.249 -0.967 0.084 1.00 1.24 C ATOM 0 H LEU A 82 -4.501 -0.828 0.740 1.00 61.53 H new ATOM 0 HA LEU A 82 -2.343 -2.478 -0.380 1.00 53.42 H new ATOM 0 HB2 LEU A 82 -2.860 -1.167 2.318 1.00 4.52 H new ATOM 0 HB3 LEU A 82 -1.563 -2.323 2.086 1.00 4.52 H new ATOM 0 HG LEU A 82 -1.856 0.330 0.637 1.00 55.33 H new ATOM 0 HD11 LEU A 82 0.134 0.985 1.937 1.00 23.03 H new ATOM 0 HD12 LEU A 82 -1.244 0.593 2.994 1.00 23.03 H new ATOM 0 HD13 LEU A 82 0.084 -0.575 2.792 1.00 23.03 H new ATOM 0 HD21 LEU A 82 0.400 -0.154 -0.243 1.00 1.24 H new ATOM 0 HD22 LEU A 82 0.355 -1.755 0.535 1.00 1.24 H new ATOM 0 HD23 LEU A 82 -0.787 -1.369 -0.775 1.00 1.24 H new ATOM 1309 N ALA A 83 -4.847 -3.764 0.956 1.00 31.02 N ATOM 1310 CA ALA A 83 -5.502 -4.938 1.539 1.00 64.54 C ATOM 1311 C ALA A 83 -5.078 -6.257 0.872 1.00 60.33 C ATOM 1312 O ALA A 83 -4.927 -6.343 -0.354 1.00 54.14 O ATOM 1313 CB ALA A 83 -7.016 -4.783 1.476 1.00 42.32 C ATOM 0 H ALA A 83 -5.486 -3.105 0.511 1.00 31.02 H new ATOM 0 HA ALA A 83 -5.179 -4.992 2.579 1.00 64.54 H new ATOM 0 HB1 ALA A 83 -7.490 -5.662 1.912 1.00 42.32 H new ATOM 0 HB2 ALA A 83 -7.314 -3.895 2.034 1.00 42.32 H new ATOM 0 HB3 ALA A 83 -7.328 -4.681 0.437 1.00 42.32 H new ATOM 1319 N ASP A 84 -4.854 -7.262 1.711 1.00 21.03 N ATOM 1320 CA ASP A 84 -4.650 -8.644 1.276 1.00 23.10 C ATOM 1321 C ASP A 84 -6.002 -9.317 0.967 1.00 20.21 C ATOM 1322 O ASP A 84 -7.048 -8.870 1.443 1.00 2.03 O ATOM 1323 CB ASP A 84 -3.916 -9.405 2.388 1.00 65.14 C ATOM 1324 CG ASP A 84 -3.694 -10.871 2.057 1.00 53.55 C ATOM 1325 OD1 ASP A 84 -3.069 -11.156 1.013 1.00 20.25 O ATOM 1326 OD2 ASP A 84 -4.151 -11.737 2.839 1.00 0.01 O ATOM 0 H ASP A 84 -4.808 -7.142 2.723 1.00 21.03 H new ATOM 0 HA ASP A 84 -4.053 -8.657 0.364 1.00 23.10 H new ATOM 0 HB2 ASP A 84 -2.952 -8.930 2.571 1.00 65.14 H new ATOM 0 HB3 ASP A 84 -4.489 -9.330 3.312 1.00 65.14 H new ATOM 1331 N ASP A 85 -5.980 -10.393 0.183 1.00 42.20 N ATOM 1332 CA ASP A 85 -7.213 -11.091 -0.198 1.00 73.43 C ATOM 1333 C ASP A 85 -7.809 -11.883 0.979 1.00 1.02 C ATOM 1334 O ASP A 85 -7.595 -13.093 1.121 1.00 73.42 O ATOM 1335 CB ASP A 85 -6.975 -11.998 -1.412 1.00 4.41 C ATOM 1336 CG ASP A 85 -6.865 -11.213 -2.710 1.00 52.30 C ATOM 1337 OD1 ASP A 85 -6.045 -10.275 -2.779 1.00 2.04 O ATOM 1338 OD2 ASP A 85 -7.583 -11.548 -3.674 1.00 5.54 O ATOM 0 H ASP A 85 -5.128 -10.801 -0.201 1.00 42.20 H new ATOM 0 HA ASP A 85 -7.944 -10.333 -0.478 1.00 73.43 H new ATOM 0 HB2 ASP A 85 -6.061 -12.572 -1.259 1.00 4.41 H new ATOM 0 HB3 ASP A 85 -7.792 -12.715 -1.492 1.00 4.41 H new ATOM 1343 N GLY A 86 -8.542 -11.170 1.830 1.00 63.23 N ATOM 1344 CA GLY A 86 -9.217 -11.787 2.961 1.00 10.22 C ATOM 1345 C GLY A 86 -10.138 -10.818 3.697 1.00 34.44 C ATOM 1346 O GLY A 86 -10.397 -9.712 3.222 1.00 55.13 O ATOM 0 H GLY A 86 -8.682 -10.162 1.755 1.00 63.23 H new ATOM 0 HA2 GLY A 86 -9.799 -12.640 2.611 1.00 10.22 H new ATOM 0 HA3 GLY A 86 -8.472 -12.173 3.657 1.00 10.22 H new ATOM 1350 N THR A 87 -10.639 -11.230 4.861 1.00 34.22 N ATOM 1351 CA THR A 87 -11.555 -10.391 5.649 1.00 23.10 C ATOM 1352 C THR A 87 -10.813 -9.323 6.474 1.00 60.31 C ATOM 1353 O THR A 87 -10.162 -9.631 7.480 1.00 54.30 O ATOM 1354 CB THR A 87 -12.434 -11.234 6.610 1.00 21.25 C ATOM 1355 OG1 THR A 87 -13.185 -12.214 5.878 1.00 71.10 O ATOM 1356 CG2 THR A 87 -13.402 -10.348 7.390 1.00 64.14 C ATOM 0 H THR A 87 -10.430 -12.135 5.282 1.00 34.22 H new ATOM 0 HA THR A 87 -12.191 -9.894 4.916 1.00 23.10 H new ATOM 0 HB THR A 87 -11.765 -11.734 7.311 1.00 21.25 H new ATOM 0 HG1 THR A 87 -13.732 -12.738 6.500 1.00 71.10 H new ATOM 0 HG21 THR A 87 -14.005 -10.966 8.055 1.00 64.14 H new ATOM 0 HG22 THR A 87 -12.839 -9.624 7.979 1.00 64.14 H new ATOM 0 HG23 THR A 87 -14.054 -9.821 6.694 1.00 64.14 H new ATOM 1364 N TYR A 88 -10.907 -8.073 6.028 1.00 70.52 N ATOM 1365 CA TYR A 88 -10.447 -6.910 6.805 1.00 21.25 C ATOM 1366 C TYR A 88 -11.636 -6.224 7.499 1.00 40.15 C ATOM 1367 O TYR A 88 -12.774 -6.678 7.395 1.00 5.42 O ATOM 1368 CB TYR A 88 -9.749 -5.888 5.892 1.00 1.25 C ATOM 1369 CG TYR A 88 -8.315 -6.219 5.525 1.00 4.23 C ATOM 1370 CD1 TYR A 88 -8.017 -7.191 4.578 1.00 60.14 C ATOM 1371 CD2 TYR A 88 -7.257 -5.541 6.123 1.00 70.32 C ATOM 1372 CE1 TYR A 88 -6.708 -7.475 4.241 1.00 62.12 C ATOM 1373 CE2 TYR A 88 -5.950 -5.816 5.787 1.00 74.55 C ATOM 1374 CZ TYR A 88 -5.679 -6.784 4.850 1.00 5.11 C ATOM 1375 OH TYR A 88 -4.374 -7.060 4.515 1.00 74.53 O ATOM 0 H TYR A 88 -11.303 -7.831 5.120 1.00 70.52 H new ATOM 0 HA TYR A 88 -9.741 -7.268 7.554 1.00 21.25 H new ATOM 0 HB2 TYR A 88 -10.328 -5.791 4.974 1.00 1.25 H new ATOM 0 HB3 TYR A 88 -9.765 -4.915 6.384 1.00 1.25 H new ATOM 0 HD1 TYR A 88 -8.820 -7.732 4.099 1.00 60.14 H new ATOM 0 HD2 TYR A 88 -7.465 -4.784 6.865 1.00 70.32 H new ATOM 0 HE1 TYR A 88 -6.490 -8.234 3.504 1.00 62.12 H new ATOM 0 HE2 TYR A 88 -5.143 -5.274 6.257 1.00 74.55 H new ATOM 0 HH TYR A 88 -3.774 -6.485 5.034 1.00 74.53 H new ATOM 1385 N GLU A 89 -11.364 -5.128 8.202 1.00 60.34 N ATOM 1386 CA GLU A 89 -12.423 -4.296 8.783 1.00 12.44 C ATOM 1387 C GLU A 89 -12.110 -2.803 8.597 1.00 61.41 C ATOM 1388 O GLU A 89 -10.984 -2.363 8.839 1.00 43.23 O ATOM 1389 CB GLU A 89 -12.602 -4.605 10.275 1.00 52.23 C ATOM 1390 CG GLU A 89 -13.782 -3.871 10.905 1.00 23.41 C ATOM 1391 CD GLU A 89 -13.877 -4.060 12.411 1.00 42.12 C ATOM 1392 OE1 GLU A 89 -14.341 -5.127 12.858 1.00 53.33 O ATOM 1393 OE2 GLU A 89 -13.504 -3.133 13.157 1.00 30.31 O ATOM 0 H GLU A 89 -10.419 -4.792 8.385 1.00 60.34 H new ATOM 0 HA GLU A 89 -13.351 -4.529 8.261 1.00 12.44 H new ATOM 0 HB2 GLU A 89 -12.741 -5.679 10.403 1.00 52.23 H new ATOM 0 HB3 GLU A 89 -11.689 -4.336 10.807 1.00 52.23 H new ATOM 0 HG2 GLU A 89 -13.698 -2.807 10.685 1.00 23.41 H new ATOM 0 HG3 GLU A 89 -14.706 -4.220 10.444 1.00 23.41 H new ATOM 1400 N ILE A 90 -13.107 -2.033 8.160 1.00 31.53 N ATOM 1401 CA ILE A 90 -12.941 -0.588 7.953 1.00 4.34 C ATOM 1402 C ILE A 90 -12.880 0.168 9.292 1.00 63.52 C ATOM 1403 O ILE A 90 -13.826 0.134 10.088 1.00 31.31 O ATOM 1404 CB ILE A 90 -14.076 -0.013 7.064 1.00 12.20 C ATOM 1405 CG1 ILE A 90 -13.908 1.505 6.884 1.00 74.02 C ATOM 1406 CG2 ILE A 90 -15.451 -0.340 7.647 1.00 51.31 C ATOM 1407 CD1 ILE A 90 -14.960 2.129 5.992 1.00 52.11 C ATOM 0 H ILE A 90 -14.040 -2.383 7.941 1.00 31.53 H new ATOM 0 HA ILE A 90 -11.992 -0.444 7.436 1.00 4.34 H new ATOM 0 HB ILE A 90 -14.007 -0.485 6.084 1.00 12.20 H new ATOM 0 HG12 ILE A 90 -13.942 1.985 7.862 1.00 74.02 H new ATOM 0 HG13 ILE A 90 -12.922 1.706 6.465 1.00 74.02 H new ATOM 0 HG21 ILE A 90 -16.227 0.075 7.004 1.00 51.31 H new ATOM 0 HG22 ILE A 90 -15.572 -1.421 7.710 1.00 51.31 H new ATOM 0 HG23 ILE A 90 -15.536 0.093 8.644 1.00 51.31 H new ATOM 0 HD11 ILE A 90 -14.779 3.201 5.911 1.00 52.11 H new ATOM 0 HD12 ILE A 90 -14.912 1.677 5.001 1.00 52.11 H new ATOM 0 HD13 ILE A 90 -15.948 1.960 6.421 1.00 52.11 H new ATOM 1419 N THR A 91 -11.761 0.855 9.536 1.00 50.35 N ATOM 1420 CA THR A 91 -11.531 1.520 10.830 1.00 2.12 C ATOM 1421 C THR A 91 -11.534 3.059 10.732 1.00 43.51 C ATOM 1422 O THR A 91 -12.035 3.732 11.631 1.00 11.43 O ATOM 1423 CB THR A 91 -10.208 1.046 11.483 1.00 71.43 C ATOM 1424 OG1 THR A 91 -10.014 1.690 12.753 1.00 61.44 O ATOM 1425 CG2 THR A 91 -9.009 1.321 10.578 1.00 63.01 C ATOM 0 H THR A 91 -11.003 0.967 8.863 1.00 50.35 H new ATOM 0 HA THR A 91 -12.372 1.229 11.459 1.00 2.12 H new ATOM 0 HB THR A 91 -10.285 -0.031 11.633 1.00 71.43 H new ATOM 0 HG1 THR A 91 -9.384 2.434 12.650 1.00 61.44 H new ATOM 0 HG21 THR A 91 -8.098 0.976 11.067 1.00 63.01 H new ATOM 0 HG22 THR A 91 -9.137 0.792 9.634 1.00 63.01 H new ATOM 0 HG23 THR A 91 -8.935 2.392 10.387 1.00 63.01 H new ATOM 1433 N LYS A 92 -10.985 3.624 9.650 1.00 71.45 N ATOM 1434 CA LYS A 92 -10.970 5.090 9.480 1.00 5.24 C ATOM 1435 C LYS A 92 -11.024 5.499 7.994 1.00 13.34 C ATOM 1436 O LYS A 92 -10.593 4.750 7.113 1.00 25.42 O ATOM 1437 CB LYS A 92 -9.738 5.705 10.169 1.00 1.10 C ATOM 1438 CG LYS A 92 -8.403 5.365 9.512 1.00 51.32 C ATOM 1439 CD LYS A 92 -7.222 5.924 10.311 1.00 72.33 C ATOM 1440 CE LYS A 92 -5.917 5.852 9.525 1.00 22.11 C ATOM 1441 NZ LYS A 92 -4.744 6.282 10.339 1.00 32.31 N ATOM 0 H LYS A 92 -10.551 3.103 8.888 1.00 71.45 H new ATOM 0 HA LYS A 92 -11.869 5.481 9.957 1.00 5.24 H new ATOM 0 HB2 LYS A 92 -9.853 6.789 10.188 1.00 1.10 H new ATOM 0 HB3 LYS A 92 -9.713 5.369 11.206 1.00 1.10 H new ATOM 0 HG2 LYS A 92 -8.305 4.283 9.426 1.00 51.32 H new ATOM 0 HG3 LYS A 92 -8.382 5.769 8.500 1.00 51.32 H new ATOM 0 HD2 LYS A 92 -7.425 6.960 10.582 1.00 72.33 H new ATOM 0 HD3 LYS A 92 -7.117 5.366 11.241 1.00 72.33 H new ATOM 0 HE2 LYS A 92 -5.761 4.831 9.177 1.00 22.11 H new ATOM 0 HE3 LYS A 92 -5.993 6.483 8.639 1.00 22.11 H new ATOM 0 HZ1 LYS A 92 -4.329 7.140 9.923 1.00 32.31 H new ATOM 0 HZ2 LYS A 92 -5.051 6.483 11.312 1.00 32.31 H new ATOM 0 HZ3 LYS A 92 -4.032 5.524 10.350 1.00 32.31 H new ATOM 1455 N LEU A 93 -11.560 6.697 7.728 1.00 75.12 N ATOM 1456 CA LEU A 93 -11.783 7.174 6.351 1.00 44.21 C ATOM 1457 C LEU A 93 -11.020 8.475 6.050 1.00 24.04 C ATOM 1458 O LEU A 93 -10.752 9.277 6.944 1.00 55.01 O ATOM 1459 CB LEU A 93 -13.286 7.423 6.099 1.00 61.22 C ATOM 1460 CG LEU A 93 -14.184 6.176 5.997 1.00 3.52 C ATOM 1461 CD1 LEU A 93 -13.619 5.191 4.981 1.00 53.53 C ATOM 1462 CD2 LEU A 93 -14.380 5.513 7.360 1.00 40.03 C ATOM 0 H LEU A 93 -11.849 7.358 8.449 1.00 75.12 H new ATOM 0 HA LEU A 93 -11.409 6.390 5.692 1.00 44.21 H new ATOM 0 HB2 LEU A 93 -13.667 8.052 6.904 1.00 61.22 H new ATOM 0 HB3 LEU A 93 -13.387 7.992 5.175 1.00 61.22 H new ATOM 0 HG LEU A 93 -15.166 6.498 5.651 1.00 3.52 H new ATOM 0 HD11 LEU A 93 -14.267 4.316 4.923 1.00 53.53 H new ATOM 0 HD12 LEU A 93 -13.565 5.668 4.003 1.00 53.53 H new ATOM 0 HD13 LEU A 93 -12.620 4.883 5.290 1.00 53.53 H new ATOM 0 HD21 LEU A 93 -15.019 4.637 7.250 1.00 40.03 H new ATOM 0 HD22 LEU A 93 -13.412 5.209 7.759 1.00 40.03 H new ATOM 0 HD23 LEU A 93 -14.849 6.220 8.044 1.00 40.03 H new ATOM 1474 N ASN A 94 -10.684 8.675 4.777 1.00 64.24 N ATOM 1475 CA ASN A 94 -10.133 9.950 4.296 1.00 53.43 C ATOM 1476 C ASN A 94 -11.036 10.549 3.209 1.00 55.42 C ATOM 1477 O ASN A 94 -11.055 10.071 2.073 1.00 63.14 O ATOM 1478 CB ASN A 94 -8.714 9.763 3.748 1.00 73.23 C ATOM 1479 CG ASN A 94 -7.705 9.472 4.839 1.00 24.41 C ATOM 1480 OD1 ASN A 94 -7.082 10.377 5.385 1.00 1.20 O ATOM 1481 ND2 ASN A 94 -7.539 8.213 5.174 1.00 20.15 N ATOM 0 H ASN A 94 -10.783 7.966 4.051 1.00 64.24 H new ATOM 0 HA ASN A 94 -10.090 10.636 5.142 1.00 53.43 H new ATOM 0 HB2 ASN A 94 -8.711 8.945 3.027 1.00 73.23 H new ATOM 0 HB3 ASN A 94 -8.414 10.663 3.211 1.00 73.23 H new ATOM 0 HD21 ASN A 94 -6.876 7.964 5.908 1.00 20.15 H new ATOM 0 HD22 ASN A 94 -8.073 7.484 4.700 1.00 20.15 H new ATOM 1488 N GLY A 95 -11.797 11.581 3.563 1.00 73.25 N ATOM 1489 CA GLY A 95 -12.694 12.210 2.601 1.00 30.21 C ATOM 1490 C GLY A 95 -13.702 13.159 3.241 1.00 21.41 C ATOM 1491 O GLY A 95 -13.706 13.354 4.460 1.00 54.53 O ATOM 0 H GLY A 95 -11.811 11.994 4.495 1.00 73.25 H new ATOM 0 HA2 GLY A 95 -12.102 12.760 1.870 1.00 30.21 H new ATOM 0 HA3 GLY A 95 -13.232 11.434 2.056 1.00 30.21 H new ATOM 1495 N GLY A 96 -14.567 13.745 2.413 1.00 41.42 N ATOM 1496 CA GLY A 96 -15.543 14.713 2.900 1.00 2.04 C ATOM 1497 C GLY A 96 -16.899 14.102 3.249 1.00 30.10 C ATOM 1498 O GLY A 96 -17.052 12.880 3.319 1.00 20.22 O ATOM 0 H GLY A 96 -14.610 13.567 1.410 1.00 41.42 H new ATOM 0 HA2 GLY A 96 -15.140 15.208 3.784 1.00 2.04 H new ATOM 0 HA3 GLY A 96 -15.687 15.483 2.142 1.00 2.04 H new ATOM 1502 N ARG A 97 -17.890 14.967 3.451 1.00 21.22 N ATOM 1503 CA ARG A 97 -19.237 14.548 3.860 1.00 41.41 C ATOM 1504 C ARG A 97 -19.901 13.618 2.824 1.00 70.43 C ATOM 1505 O ARG A 97 -20.566 12.644 3.185 1.00 4.41 O ATOM 1506 CB ARG A 97 -20.107 15.794 4.099 1.00 42.50 C ATOM 1507 CG ARG A 97 -20.291 16.667 2.857 1.00 52.13 C ATOM 1508 CD ARG A 97 -20.921 18.016 3.186 1.00 4.51 C ATOM 1509 NE ARG A 97 -22.193 17.877 3.889 1.00 20.03 N ATOM 1510 CZ ARG A 97 -23.093 18.818 3.961 1.00 22.20 C ATOM 1511 NH1 ARG A 97 -22.926 19.944 3.346 1.00 12.12 N ATOM 1512 NH2 ARG A 97 -24.170 18.626 4.643 1.00 50.32 N ATOM 0 H ARG A 97 -17.787 15.975 3.337 1.00 21.22 H new ATOM 0 HA ARG A 97 -19.145 13.976 4.783 1.00 41.41 H new ATOM 0 HB2 ARG A 97 -21.087 15.478 4.458 1.00 42.50 H new ATOM 0 HB3 ARG A 97 -19.656 16.394 4.890 1.00 42.50 H new ATOM 0 HG2 ARG A 97 -19.323 16.827 2.381 1.00 52.13 H new ATOM 0 HG3 ARG A 97 -20.918 16.142 2.136 1.00 52.13 H new ATOM 0 HD2 ARG A 97 -20.231 18.597 3.799 1.00 4.51 H new ATOM 0 HD3 ARG A 97 -21.077 18.576 2.264 1.00 4.51 H new ATOM 0 HE ARG A 97 -22.390 16.990 4.352 1.00 20.03 H new ATOM 0 HH11 ARG A 97 -22.082 20.104 2.796 1.00 12.12 H new ATOM 0 HH12 ARG A 97 -23.638 20.671 3.411 1.00 12.12 H new ATOM 0 HH21 ARG A 97 -24.317 17.739 5.125 1.00 50.32 H new ATOM 0 HH22 ARG A 97 -24.875 19.361 4.700 1.00 50.32 H new ATOM 1526 N ARG A 98 -19.711 13.912 1.539 1.00 42.42 N ATOM 1527 CA ARG A 98 -20.308 13.106 0.469 1.00 30.10 C ATOM 1528 C ARG A 98 -19.584 11.761 0.320 1.00 35.04 C ATOM 1529 O ARG A 98 -20.179 10.767 -0.097 1.00 32.02 O ATOM 1530 CB ARG A 98 -20.275 13.863 -0.860 1.00 32.21 C ATOM 1531 CG ARG A 98 -20.917 15.245 -0.802 1.00 21.15 C ATOM 1532 CD ARG A 98 -20.907 15.921 -2.166 1.00 41.40 C ATOM 1533 NE ARG A 98 -19.572 15.941 -2.761 1.00 5.53 N ATOM 1534 CZ ARG A 98 -19.267 16.571 -3.862 1.00 21.54 C ATOM 1535 NH1 ARG A 98 -20.165 17.251 -4.503 1.00 42.25 N ATOM 1536 NH2 ARG A 98 -18.063 16.510 -4.323 1.00 50.32 N ATOM 0 H ARG A 98 -19.151 14.699 1.211 1.00 42.42 H new ATOM 0 HA ARG A 98 -21.346 12.912 0.741 1.00 30.10 H new ATOM 0 HB2 ARG A 98 -19.239 13.968 -1.181 1.00 32.21 H new ATOM 0 HB3 ARG A 98 -20.785 13.268 -1.618 1.00 32.21 H new ATOM 0 HG2 ARG A 98 -21.943 15.156 -0.446 1.00 21.15 H new ATOM 0 HG3 ARG A 98 -20.383 15.866 -0.083 1.00 21.15 H new ATOM 0 HD2 ARG A 98 -21.593 15.399 -2.833 1.00 41.40 H new ATOM 0 HD3 ARG A 98 -21.274 16.942 -2.066 1.00 41.40 H new ATOM 0 HE ARG A 98 -18.830 15.429 -2.284 1.00 5.53 H new ATOM 0 HH11 ARG A 98 -21.120 17.297 -4.148 1.00 42.25 H new ATOM 0 HH12 ARG A 98 -19.917 17.740 -5.363 1.00 42.25 H new ATOM 0 HH21 ARG A 98 -17.354 15.971 -3.827 1.00 50.32 H new ATOM 0 HH22 ARG A 98 -17.821 17.001 -5.184 1.00 50.32 H new ATOM 1550 N PHE A 99 -18.294 11.738 0.662 1.00 3.04 N ATOM 1551 CA PHE A 99 -17.515 10.496 0.660 1.00 30.01 C ATOM 1552 C PHE A 99 -18.132 9.474 1.623 1.00 52.32 C ATOM 1553 O PHE A 99 -18.303 8.303 1.281 1.00 1.12 O ATOM 1554 CB PHE A 99 -16.057 10.780 1.048 1.00 73.31 C ATOM 1555 CG PHE A 99 -15.197 9.544 1.148 1.00 52.14 C ATOM 1556 CD1 PHE A 99 -14.864 8.822 0.011 1.00 63.23 C ATOM 1557 CD2 PHE A 99 -14.727 9.102 2.377 1.00 71.02 C ATOM 1558 CE1 PHE A 99 -14.079 7.689 0.098 1.00 75.12 C ATOM 1559 CE2 PHE A 99 -13.943 7.969 2.468 1.00 4.34 C ATOM 1560 CZ PHE A 99 -13.619 7.261 1.328 1.00 65.13 C ATOM 0 H PHE A 99 -17.766 12.564 0.944 1.00 3.04 H new ATOM 0 HA PHE A 99 -17.533 10.078 -0.347 1.00 30.01 H new ATOM 0 HB2 PHE A 99 -15.621 11.455 0.312 1.00 73.31 H new ATOM 0 HB3 PHE A 99 -16.041 11.300 2.006 1.00 73.31 H new ATOM 0 HD1 PHE A 99 -15.223 9.150 -0.953 1.00 63.23 H new ATOM 0 HD2 PHE A 99 -14.978 9.651 3.273 1.00 71.02 H new ATOM 0 HE1 PHE A 99 -13.825 7.138 -0.795 1.00 75.12 H new ATOM 0 HE2 PHE A 99 -13.583 7.637 3.431 1.00 4.34 H new ATOM 0 HZ PHE A 99 -13.007 6.374 1.398 1.00 65.13 H new ATOM 1570 N LEU A 100 -18.473 9.934 2.827 1.00 11.32 N ATOM 1571 CA LEU A 100 -19.143 9.090 3.822 1.00 3.30 C ATOM 1572 C LEU A 100 -20.488 8.571 3.286 1.00 60.03 C ATOM 1573 O LEU A 100 -20.858 7.417 3.511 1.00 0.14 O ATOM 1574 CB LEU A 100 -19.356 9.879 5.122 1.00 53.40 C ATOM 1575 CG LEU A 100 -18.073 10.427 5.770 1.00 73.03 C ATOM 1576 CD1 LEU A 100 -18.400 11.216 7.035 1.00 73.32 C ATOM 1577 CD2 LEU A 100 -17.091 9.298 6.073 1.00 74.13 C ATOM 0 H LEU A 100 -18.296 10.889 3.139 1.00 11.32 H new ATOM 0 HA LEU A 100 -18.506 8.230 4.028 1.00 3.30 H new ATOM 0 HB2 LEU A 100 -20.026 10.714 4.916 1.00 53.40 H new ATOM 0 HB3 LEU A 100 -19.861 9.235 5.841 1.00 53.40 H new ATOM 0 HG LEU A 100 -17.599 11.105 5.060 1.00 73.03 H new ATOM 0 HD11 LEU A 100 -17.478 11.594 7.477 1.00 73.32 H new ATOM 0 HD12 LEU A 100 -19.052 12.053 6.784 1.00 73.32 H new ATOM 0 HD13 LEU A 100 -18.904 10.565 7.750 1.00 73.32 H new ATOM 0 HD21 LEU A 100 -16.192 9.711 6.531 1.00 74.13 H new ATOM 0 HD22 LEU A 100 -17.554 8.588 6.758 1.00 74.13 H new ATOM 0 HD23 LEU A 100 -16.825 8.788 5.147 1.00 74.13 H new ATOM 1589 N PHE A 101 -21.210 9.434 2.570 1.00 70.23 N ATOM 1590 CA PHE A 101 -22.451 9.038 1.892 1.00 73.43 C ATOM 1591 C PHE A 101 -22.186 7.904 0.884 1.00 32.33 C ATOM 1592 O PHE A 101 -22.870 6.878 0.890 1.00 71.13 O ATOM 1593 CB PHE A 101 -23.071 10.255 1.184 1.00 13.41 C ATOM 1594 CG PHE A 101 -24.304 9.937 0.373 1.00 50.31 C ATOM 1595 CD1 PHE A 101 -25.532 9.751 0.993 1.00 3.12 C ATOM 1596 CD2 PHE A 101 -24.235 9.828 -1.009 1.00 14.25 C ATOM 1597 CE1 PHE A 101 -26.661 9.462 0.250 1.00 41.25 C ATOM 1598 CE2 PHE A 101 -25.362 9.538 -1.754 1.00 62.40 C ATOM 1599 CZ PHE A 101 -26.576 9.355 -1.124 1.00 13.22 C ATOM 0 H PHE A 101 -20.958 10.414 2.443 1.00 70.23 H new ATOM 0 HA PHE A 101 -23.153 8.667 2.639 1.00 73.43 H new ATOM 0 HB2 PHE A 101 -23.325 11.006 1.932 1.00 13.41 H new ATOM 0 HB3 PHE A 101 -22.323 10.700 0.528 1.00 13.41 H new ATOM 0 HD1 PHE A 101 -25.606 9.833 2.067 1.00 3.12 H new ATOM 0 HD2 PHE A 101 -23.288 9.972 -1.508 1.00 14.25 H new ATOM 0 HE1 PHE A 101 -27.611 9.320 0.745 1.00 41.25 H new ATOM 0 HE2 PHE A 101 -25.293 9.455 -2.829 1.00 62.40 H new ATOM 0 HZ PHE A 101 -27.458 9.128 -1.705 1.00 13.22 H new ATOM 1609 N ARG A 102 -21.180 8.095 0.027 1.00 71.04 N ATOM 1610 CA ARG A 102 -20.760 7.063 -0.934 1.00 33.34 C ATOM 1611 C ARG A 102 -20.477 5.728 -0.227 1.00 64.51 C ATOM 1612 O ARG A 102 -20.918 4.667 -0.672 1.00 64.12 O ATOM 1613 CB ARG A 102 -19.507 7.529 -1.701 1.00 64.14 C ATOM 1614 CG ARG A 102 -19.768 8.673 -2.681 1.00 61.43 C ATOM 1615 CD ARG A 102 -18.477 9.189 -3.323 1.00 15.43 C ATOM 1616 NE ARG A 102 -17.646 8.111 -3.869 1.00 2.51 N ATOM 1617 CZ ARG A 102 -17.911 7.437 -4.958 1.00 5.34 C ATOM 1618 NH1 ARG A 102 -18.954 7.710 -5.680 1.00 75.44 N ATOM 1619 NH2 ARG A 102 -17.106 6.502 -5.334 1.00 3.13 N ATOM 0 H ARG A 102 -20.637 8.957 -0.024 1.00 71.04 H new ATOM 0 HA ARG A 102 -21.576 6.908 -1.640 1.00 33.34 H new ATOM 0 HB2 ARG A 102 -18.750 7.845 -0.983 1.00 64.14 H new ATOM 0 HB3 ARG A 102 -19.093 6.682 -2.249 1.00 64.14 H new ATOM 0 HG2 ARG A 102 -20.449 8.333 -3.461 1.00 61.43 H new ATOM 0 HG3 ARG A 102 -20.264 9.491 -2.159 1.00 61.43 H new ATOM 0 HD2 ARG A 102 -18.727 9.889 -4.120 1.00 15.43 H new ATOM 0 HD3 ARG A 102 -17.903 9.744 -2.580 1.00 15.43 H new ATOM 0 HE ARG A 102 -16.796 7.868 -3.360 1.00 2.51 H new ATOM 0 HH11 ARG A 102 -19.584 8.462 -5.401 1.00 75.44 H new ATOM 0 HH12 ARG A 102 -19.143 7.173 -6.526 1.00 75.44 H new ATOM 0 HH21 ARG A 102 -16.273 6.295 -4.784 1.00 3.13 H new ATOM 0 HH22 ARG A 102 -17.303 5.970 -6.182 1.00 3.13 H new ATOM 1633 N MET A 103 -19.754 5.797 0.888 1.00 25.03 N ATOM 1634 CA MET A 103 -19.418 4.608 1.677 1.00 52.44 C ATOM 1635 C MET A 103 -20.681 3.891 2.198 1.00 61.04 C ATOM 1636 O MET A 103 -20.766 2.660 2.166 1.00 25.02 O ATOM 1637 CB MET A 103 -18.511 4.997 2.849 1.00 22.20 C ATOM 1638 CG MET A 103 -17.175 5.627 2.448 1.00 64.13 C ATOM 1639 SD MET A 103 -16.109 4.522 1.486 1.00 74.34 S ATOM 1640 CE MET A 103 -16.669 4.817 -0.191 1.00 50.20 C ATOM 0 H MET A 103 -19.386 6.668 1.270 1.00 25.03 H new ATOM 0 HA MET A 103 -18.890 3.913 1.024 1.00 52.44 H new ATOM 0 HB2 MET A 103 -19.049 5.697 3.489 1.00 22.20 H new ATOM 0 HB3 MET A 103 -18.312 4.107 3.446 1.00 22.20 H new ATOM 0 HG2 MET A 103 -17.368 6.528 1.866 1.00 64.13 H new ATOM 0 HG3 MET A 103 -16.644 5.936 3.348 1.00 64.13 H new ATOM 0 HE1 MET A 103 -17.228 3.951 -0.546 1.00 50.20 H new ATOM 0 HE2 MET A 103 -17.312 5.697 -0.210 1.00 50.20 H new ATOM 0 HE3 MET A 103 -15.808 4.983 -0.838 1.00 50.20 H new ATOM 1650 N LYS A 104 -21.661 4.668 2.666 1.00 71.21 N ATOM 1651 CA LYS A 104 -22.932 4.117 3.167 1.00 13.23 C ATOM 1652 C LYS A 104 -23.659 3.275 2.103 1.00 64.02 C ATOM 1653 O LYS A 104 -24.195 2.208 2.405 1.00 42.41 O ATOM 1654 CB LYS A 104 -23.856 5.250 3.643 1.00 24.13 C ATOM 1655 CG LYS A 104 -23.399 5.932 4.929 1.00 1.44 C ATOM 1656 CD LYS A 104 -24.307 7.103 5.296 1.00 60.22 C ATOM 1657 CE LYS A 104 -24.005 7.644 6.690 1.00 63.13 C ATOM 1658 NZ LYS A 104 -24.320 6.645 7.745 1.00 25.23 N ATOM 0 H LYS A 104 -21.602 5.685 2.710 1.00 71.21 H new ATOM 0 HA LYS A 104 -22.688 3.463 4.004 1.00 13.23 H new ATOM 0 HB2 LYS A 104 -23.930 5.999 2.854 1.00 24.13 H new ATOM 0 HB3 LYS A 104 -24.857 4.847 3.795 1.00 24.13 H new ATOM 0 HG2 LYS A 104 -23.391 5.207 5.743 1.00 1.44 H new ATOM 0 HG3 LYS A 104 -22.376 6.288 4.809 1.00 1.44 H new ATOM 0 HD2 LYS A 104 -24.185 7.900 4.563 1.00 60.22 H new ATOM 0 HD3 LYS A 104 -25.348 6.784 5.249 1.00 60.22 H new ATOM 0 HE2 LYS A 104 -22.953 7.921 6.753 1.00 63.13 H new ATOM 0 HE3 LYS A 104 -24.584 8.551 6.862 1.00 63.13 H new ATOM 0 HZ1 LYS A 104 -24.249 7.094 8.680 1.00 25.23 H new ATOM 0 HZ2 LYS A 104 -25.286 6.286 7.606 1.00 25.23 H new ATOM 0 HZ3 LYS A 104 -23.646 5.855 7.688 1.00 25.23 H new ATOM 1672 N ASN A 105 -23.674 3.761 0.862 1.00 63.34 N ATOM 1673 CA ASN A 105 -24.358 3.066 -0.239 1.00 32.30 C ATOM 1674 C ASN A 105 -23.818 1.639 -0.452 1.00 71.54 C ATOM 1675 O ASN A 105 -24.588 0.678 -0.531 1.00 23.31 O ATOM 1676 CB ASN A 105 -24.239 3.871 -1.540 1.00 50.32 C ATOM 1677 CG ASN A 105 -25.104 5.121 -1.534 1.00 33.35 C ATOM 1678 OD1 ASN A 105 -26.264 5.089 -1.930 1.00 43.23 O ATOM 1679 ND2 ASN A 105 -24.555 6.232 -1.088 1.00 3.52 N ATOM 0 H ASN A 105 -23.221 4.633 0.589 1.00 63.34 H new ATOM 0 HA ASN A 105 -25.408 2.983 0.040 1.00 32.30 H new ATOM 0 HB2 ASN A 105 -23.198 4.155 -1.694 1.00 50.32 H new ATOM 0 HB3 ASN A 105 -24.525 3.240 -2.381 1.00 50.32 H new ATOM 0 HD21 ASN A 105 -25.097 7.096 -1.066 1.00 3.52 H new ATOM 0 HD22 ASN A 105 -23.588 6.229 -0.765 1.00 3.52 H new ATOM 1686 N LEU A 106 -22.497 1.503 -0.546 1.00 24.13 N ATOM 1687 CA LEU A 106 -21.878 0.184 -0.755 1.00 63.33 C ATOM 1688 C LEU A 106 -21.866 -0.647 0.542 1.00 42.40 C ATOM 1689 O LEU A 106 -22.009 -1.868 0.508 1.00 43.33 O ATOM 1690 CB LEU A 106 -20.448 0.334 -1.308 1.00 44.41 C ATOM 1691 CG LEU A 106 -20.329 0.850 -2.758 1.00 4.11 C ATOM 1692 CD1 LEU A 106 -21.135 -0.027 -3.716 1.00 34.44 C ATOM 1693 CD2 LEU A 106 -20.758 2.315 -2.865 1.00 34.21 C ATOM 0 H LEU A 106 -21.836 2.277 -0.482 1.00 24.13 H new ATOM 0 HA LEU A 106 -22.483 -0.349 -1.489 1.00 63.33 H new ATOM 0 HB2 LEU A 106 -19.898 1.013 -0.656 1.00 44.41 H new ATOM 0 HB3 LEU A 106 -19.954 -0.636 -1.248 1.00 44.41 H new ATOM 0 HG LEU A 106 -19.279 0.791 -3.046 1.00 4.11 H new ATOM 0 HD11 LEU A 106 -21.036 0.357 -4.731 1.00 34.44 H new ATOM 0 HD12 LEU A 106 -20.760 -1.050 -3.676 1.00 34.44 H new ATOM 0 HD13 LEU A 106 -22.185 -0.014 -3.425 1.00 34.44 H new ATOM 0 HD21 LEU A 106 -20.662 2.648 -3.899 1.00 34.21 H new ATOM 0 HD22 LEU A 106 -21.796 2.414 -2.546 1.00 34.21 H new ATOM 0 HD23 LEU A 106 -20.122 2.928 -2.226 1.00 34.21 H new ATOM 1705 N GLY A 107 -21.725 0.024 1.684 1.00 14.54 N ATOM 1706 CA GLY A 107 -21.768 -0.668 2.972 1.00 12.01 C ATOM 1707 C GLY A 107 -20.437 -0.682 3.726 1.00 25.31 C ATOM 1708 O GLY A 107 -20.118 -1.655 4.411 1.00 70.01 O ATOM 0 H GLY A 107 -21.582 1.032 1.745 1.00 14.54 H new ATOM 0 HA2 GLY A 107 -22.523 -0.195 3.600 1.00 12.01 H new ATOM 0 HA3 GLY A 107 -22.090 -1.696 2.808 1.00 12.01 H new ATOM 1712 N ILE A 108 -19.657 0.395 3.616 1.00 11.52 N ATOM 1713 CA ILE A 108 -18.408 0.529 4.380 1.00 14.22 C ATOM 1714 C ILE A 108 -18.418 1.803 5.242 1.00 33.51 C ATOM 1715 O ILE A 108 -17.839 2.824 4.882 1.00 51.34 O ATOM 1716 CB ILE A 108 -17.126 0.512 3.482 1.00 4.42 C ATOM 1717 CG1 ILE A 108 -17.234 1.485 2.287 1.00 51.12 C ATOM 1718 CG2 ILE A 108 -16.825 -0.900 2.992 1.00 41.33 C ATOM 1719 CD1 ILE A 108 -18.078 0.980 1.132 1.00 11.42 C ATOM 0 H ILE A 108 -19.864 1.187 3.008 1.00 11.52 H new ATOM 0 HA ILE A 108 -18.363 -0.349 5.024 1.00 14.22 H new ATOM 0 HB ILE A 108 -16.299 0.853 4.105 1.00 4.42 H new ATOM 0 HG12 ILE A 108 -17.653 2.427 2.640 1.00 51.12 H new ATOM 0 HG13 ILE A 108 -16.231 1.700 1.919 1.00 51.12 H new ATOM 0 HG21 ILE A 108 -15.930 -0.886 2.370 1.00 41.33 H new ATOM 0 HG22 ILE A 108 -16.662 -1.555 3.848 1.00 41.33 H new ATOM 0 HG23 ILE A 108 -17.667 -1.270 2.407 1.00 41.33 H new ATOM 0 HD11 ILE A 108 -18.096 1.729 0.340 1.00 11.42 H new ATOM 0 HD12 ILE A 108 -17.650 0.054 0.746 1.00 11.42 H new ATOM 0 HD13 ILE A 108 -19.094 0.793 1.478 1.00 11.42 H new ATOM 1731 N GLU A 109 -19.103 1.738 6.381 1.00 23.33 N ATOM 1732 CA GLU A 109 -19.189 2.884 7.294 1.00 54.43 C ATOM 1733 C GLU A 109 -18.116 2.797 8.393 1.00 42.14 C ATOM 1734 O GLU A 109 -17.097 3.484 8.347 1.00 53.53 O ATOM 1735 CB GLU A 109 -20.581 2.950 7.941 1.00 24.22 C ATOM 1736 CG GLU A 109 -21.737 2.872 6.949 1.00 42.41 C ATOM 1737 CD GLU A 109 -23.092 2.953 7.636 1.00 54.15 C ATOM 1738 OE1 GLU A 109 -23.581 4.078 7.870 1.00 11.31 O ATOM 1739 OE2 GLU A 109 -23.663 1.890 7.961 1.00 21.21 O ATOM 0 H GLU A 109 -19.606 0.909 6.697 1.00 23.33 H new ATOM 0 HA GLU A 109 -19.018 3.788 6.710 1.00 54.43 H new ATOM 0 HB2 GLU A 109 -20.676 2.133 8.657 1.00 24.22 H new ATOM 0 HB3 GLU A 109 -20.663 3.879 8.505 1.00 24.22 H new ATOM 0 HG2 GLU A 109 -21.649 3.684 6.227 1.00 42.41 H new ATOM 0 HG3 GLU A 109 -21.671 1.939 6.389 1.00 42.41 H new ATOM 1746 N SER A 110 -18.357 1.932 9.378 1.00 24.31 N ATOM 1747 CA SER A 110 -17.435 1.751 10.508 1.00 70.01 C ATOM 1748 C SER A 110 -17.626 0.369 11.138 1.00 43.12 C ATOM 1749 O SER A 110 -18.745 -0.011 11.491 1.00 21.31 O ATOM 1750 CB SER A 110 -17.669 2.836 11.572 1.00 24.54 C ATOM 1751 OG SER A 110 -19.004 2.796 12.066 1.00 12.52 O ATOM 0 H SER A 110 -19.187 1.341 9.419 1.00 24.31 H new ATOM 0 HA SER A 110 -16.416 1.834 10.131 1.00 70.01 H new ATOM 0 HB2 SER A 110 -16.970 2.697 12.396 1.00 24.54 H new ATOM 0 HB3 SER A 110 -17.466 3.818 11.144 1.00 24.54 H new ATOM 0 HG SER A 110 -19.332 1.873 12.048 1.00 12.52 H new ATOM 1757 N GLY A 111 -16.540 -0.389 11.276 1.00 11.22 N ATOM 1758 CA GLY A 111 -16.631 -1.727 11.854 1.00 12.11 C ATOM 1759 C GLY A 111 -17.099 -2.792 10.860 1.00 53.42 C ATOM 1760 O GLY A 111 -17.205 -3.970 11.207 1.00 22.32 O ATOM 0 H GLY A 111 -15.600 -0.105 11.000 1.00 11.22 H new ATOM 0 HA2 GLY A 111 -15.655 -2.012 12.246 1.00 12.11 H new ATOM 0 HA3 GLY A 111 -17.319 -1.703 12.699 1.00 12.11 H new ATOM 1764 N LYS A 112 -17.382 -2.379 9.625 1.00 3.01 N ATOM 1765 CA LYS A 112 -17.786 -3.311 8.565 1.00 45.24 C ATOM 1766 C LYS A 112 -16.608 -4.186 8.111 1.00 72.51 C ATOM 1767 O LYS A 112 -15.498 -3.691 7.898 1.00 34.24 O ATOM 1768 CB LYS A 112 -18.351 -2.540 7.359 1.00 24.12 C ATOM 1769 CG LYS A 112 -19.776 -2.030 7.551 1.00 65.10 C ATOM 1770 CD LYS A 112 -20.778 -3.183 7.601 1.00 21.05 C ATOM 1771 CE LYS A 112 -22.220 -2.693 7.555 1.00 13.24 C ATOM 1772 NZ LYS A 112 -23.184 -3.823 7.514 1.00 21.52 N ATOM 0 H LYS A 112 -17.340 -1.403 9.330 1.00 3.01 H new ATOM 0 HA LYS A 112 -18.560 -3.960 8.975 1.00 45.24 H new ATOM 0 HB2 LYS A 112 -17.700 -1.692 7.147 1.00 24.12 H new ATOM 0 HB3 LYS A 112 -18.325 -3.189 6.483 1.00 24.12 H new ATOM 0 HG2 LYS A 112 -19.836 -1.453 8.474 1.00 65.10 H new ATOM 0 HG3 LYS A 112 -20.036 -1.355 6.735 1.00 65.10 H new ATOM 0 HD2 LYS A 112 -20.598 -3.856 6.763 1.00 21.05 H new ATOM 0 HD3 LYS A 112 -20.621 -3.760 8.512 1.00 21.05 H new ATOM 0 HE2 LYS A 112 -22.422 -2.074 8.429 1.00 13.24 H new ATOM 0 HE3 LYS A 112 -22.362 -2.062 6.678 1.00 13.24 H new ATOM 0 HZ1 LYS A 112 -24.116 -3.473 7.214 1.00 21.52 H new ATOM 0 HZ2 LYS A 112 -22.850 -4.540 6.839 1.00 21.52 H new ATOM 0 HZ3 LYS A 112 -23.262 -4.248 8.460 1.00 21.52 H new ATOM 1786 N LYS A 113 -16.860 -5.481 7.956 1.00 64.11 N ATOM 1787 CA LYS A 113 -15.842 -6.418 7.476 1.00 13.25 C ATOM 1788 C LYS A 113 -15.807 -6.436 5.944 1.00 5.44 C ATOM 1789 O LYS A 113 -16.812 -6.737 5.298 1.00 41.31 O ATOM 1790 CB LYS A 113 -16.114 -7.839 8.006 1.00 32.31 C ATOM 1791 CG LYS A 113 -15.688 -8.081 9.457 1.00 31.41 C ATOM 1792 CD LYS A 113 -16.389 -7.153 10.446 1.00 20.13 C ATOM 1793 CE LYS A 113 -16.050 -7.515 11.886 1.00 43.33 C ATOM 1794 NZ LYS A 113 -16.597 -6.529 12.855 1.00 24.43 N ATOM 0 H LYS A 113 -17.763 -5.910 8.156 1.00 64.11 H new ATOM 0 HA LYS A 113 -14.875 -6.083 7.850 1.00 13.25 H new ATOM 0 HB2 LYS A 113 -17.180 -8.046 7.917 1.00 32.31 H new ATOM 0 HB3 LYS A 113 -15.596 -8.554 7.367 1.00 32.31 H new ATOM 0 HG2 LYS A 113 -15.901 -9.116 9.725 1.00 31.41 H new ATOM 0 HG3 LYS A 113 -14.610 -7.945 9.541 1.00 31.41 H new ATOM 0 HD2 LYS A 113 -16.095 -6.122 10.250 1.00 20.13 H new ATOM 0 HD3 LYS A 113 -17.468 -7.211 10.299 1.00 20.13 H new ATOM 0 HE2 LYS A 113 -16.447 -8.504 12.113 1.00 43.33 H new ATOM 0 HE3 LYS A 113 -14.967 -7.572 12.000 1.00 43.33 H new ATOM 0 HZ1 LYS A 113 -17.084 -7.032 13.624 1.00 24.43 H new ATOM 0 HZ2 LYS A 113 -15.820 -5.962 13.250 1.00 24.43 H new ATOM 0 HZ3 LYS A 113 -17.271 -5.903 12.370 1.00 24.43 H new ATOM 1808 N ILE A 114 -14.654 -6.120 5.364 1.00 14.14 N ATOM 1809 CA ILE A 114 -14.497 -6.119 3.906 1.00 41.11 C ATOM 1810 C ILE A 114 -13.750 -7.378 3.422 1.00 40.22 C ATOM 1811 O ILE A 114 -12.573 -7.580 3.724 1.00 32.10 O ATOM 1812 CB ILE A 114 -13.777 -4.828 3.413 1.00 71.22 C ATOM 1813 CG1 ILE A 114 -13.593 -4.846 1.884 1.00 74.53 C ATOM 1814 CG2 ILE A 114 -12.437 -4.633 4.117 1.00 44.23 C ATOM 1815 CD1 ILE A 114 -14.896 -4.820 1.115 1.00 64.13 C ATOM 0 H ILE A 114 -13.812 -5.861 5.878 1.00 14.14 H new ATOM 0 HA ILE A 114 -15.497 -6.132 3.472 1.00 41.11 H new ATOM 0 HB ILE A 114 -14.414 -3.981 3.669 1.00 71.22 H new ATOM 0 HG12 ILE A 114 -12.990 -3.987 1.589 1.00 74.53 H new ATOM 0 HG13 ILE A 114 -13.034 -5.739 1.605 1.00 74.53 H new ATOM 0 HG21 ILE A 114 -11.962 -3.724 3.749 1.00 44.23 H new ATOM 0 HG22 ILE A 114 -12.599 -4.549 5.192 1.00 44.23 H new ATOM 0 HG23 ILE A 114 -11.791 -5.487 3.914 1.00 44.23 H new ATOM 0 HD11 ILE A 114 -14.687 -4.835 0.045 1.00 64.13 H new ATOM 0 HD12 ILE A 114 -15.493 -5.693 1.380 1.00 64.13 H new ATOM 0 HD13 ILE A 114 -15.448 -3.914 1.365 1.00 64.13 H new ATOM 1827 N GLN A 115 -14.461 -8.237 2.692 1.00 62.21 N ATOM 1828 CA GLN A 115 -13.877 -9.464 2.139 1.00 51.05 C ATOM 1829 C GLN A 115 -13.204 -9.195 0.785 1.00 34.54 C ATOM 1830 O GLN A 115 -13.877 -8.921 -0.210 1.00 65.12 O ATOM 1831 CB GLN A 115 -14.948 -10.557 1.950 1.00 2.23 C ATOM 1832 CG GLN A 115 -15.580 -11.086 3.238 1.00 15.44 C ATOM 1833 CD GLN A 115 -16.433 -10.056 3.960 1.00 44.43 C ATOM 1834 OE1 GLN A 115 -17.615 -9.904 3.682 1.00 24.34 O ATOM 1835 NE2 GLN A 115 -15.846 -9.353 4.900 1.00 51.53 N ATOM 0 H GLN A 115 -15.447 -8.107 2.468 1.00 62.21 H new ATOM 0 HA GLN A 115 -13.131 -9.809 2.854 1.00 51.05 H new ATOM 0 HB2 GLN A 115 -15.739 -10.160 1.313 1.00 2.23 H new ATOM 0 HB3 GLN A 115 -14.498 -11.394 1.416 1.00 2.23 H new ATOM 0 HG2 GLN A 115 -16.195 -11.955 3.002 1.00 15.44 H new ATOM 0 HG3 GLN A 115 -14.791 -11.427 3.908 1.00 15.44 H new ATOM 0 HE21 GLN A 115 -14.859 -9.503 5.108 1.00 51.53 H new ATOM 0 HE22 GLN A 115 -16.377 -8.656 5.423 1.00 51.53 H new ATOM 1844 N VAL A 116 -11.881 -9.258 0.751 1.00 3.13 N ATOM 1845 CA VAL A 116 -11.145 -9.171 -0.511 1.00 31.32 C ATOM 1846 C VAL A 116 -11.021 -10.567 -1.146 1.00 42.24 C ATOM 1847 O VAL A 116 -10.614 -11.526 -0.487 1.00 15.34 O ATOM 1848 CB VAL A 116 -9.734 -8.568 -0.302 1.00 74.44 C ATOM 1849 CG1 VAL A 116 -9.054 -8.292 -1.645 1.00 70.53 C ATOM 1850 CG2 VAL A 116 -9.805 -7.303 0.555 1.00 32.05 C ATOM 0 H VAL A 116 -11.293 -9.369 1.577 1.00 3.13 H new ATOM 0 HA VAL A 116 -11.702 -8.513 -1.177 1.00 31.32 H new ATOM 0 HB VAL A 116 -9.127 -9.299 0.233 1.00 74.44 H new ATOM 0 HG11 VAL A 116 -8.065 -7.869 -1.472 1.00 70.53 H new ATOM 0 HG12 VAL A 116 -8.958 -9.224 -2.202 1.00 70.53 H new ATOM 0 HG13 VAL A 116 -9.655 -7.586 -2.219 1.00 70.53 H new ATOM 0 HG21 VAL A 116 -8.802 -6.897 0.688 1.00 32.05 H new ATOM 0 HG22 VAL A 116 -10.433 -6.563 0.060 1.00 32.05 H new ATOM 0 HG23 VAL A 116 -10.230 -7.547 1.529 1.00 32.05 H new ATOM 1902 N ARG A 120 -10.815 -8.019 -6.183 1.00 52.11 N ATOM 1903 CA ARG A 120 -12.108 -7.335 -6.032 1.00 33.13 C ATOM 1904 C ARG A 120 -12.608 -7.392 -4.576 1.00 22.12 C ATOM 1905 O ARG A 120 -12.244 -8.291 -3.814 1.00 13.45 O ATOM 1906 CB ARG A 120 -13.156 -7.942 -6.979 1.00 22.45 C ATOM 1907 CG ARG A 120 -12.703 -7.995 -8.437 1.00 32.13 C ATOM 1908 CD ARG A 120 -13.855 -8.319 -9.389 1.00 11.11 C ATOM 1909 NE ARG A 120 -14.569 -9.541 -9.014 1.00 35.21 N ATOM 1910 CZ ARG A 120 -15.381 -10.189 -9.807 1.00 34.45 C ATOM 1911 NH1 ARG A 120 -15.540 -9.818 -11.035 1.00 63.53 N ATOM 1912 NH2 ARG A 120 -16.025 -11.220 -9.371 1.00 44.53 N ATOM 0 HA ARG A 120 -11.960 -6.288 -6.296 1.00 33.13 H new ATOM 0 HB2 ARG A 120 -13.395 -8.951 -6.644 1.00 22.45 H new ATOM 0 HB3 ARG A 120 -14.074 -7.359 -6.913 1.00 22.45 H new ATOM 0 HG2 ARG A 120 -12.264 -7.037 -8.714 1.00 32.13 H new ATOM 0 HG3 ARG A 120 -11.922 -8.747 -8.546 1.00 32.13 H new ATOM 0 HD2 ARG A 120 -14.555 -7.484 -9.404 1.00 11.11 H new ATOM 0 HD3 ARG A 120 -13.466 -8.426 -10.401 1.00 11.11 H new ATOM 0 HE ARG A 120 -14.423 -9.910 -8.074 1.00 35.21 H new ATOM 0 HH11 ARG A 120 -15.029 -9.012 -11.394 1.00 63.53 H new ATOM 0 HH12 ARG A 120 -16.176 -10.332 -11.645 1.00 63.53 H new ATOM 0 HH21 ARG A 120 -15.900 -11.529 -8.407 1.00 44.53 H new ATOM 0 HH22 ARG A 120 -16.659 -11.725 -9.991 1.00 44.53 H new ATOM 1926 N TYR A 121 -13.458 -6.437 -4.202 1.00 33.24 N ATOM 1927 CA TYR A 121 -13.863 -6.260 -2.800 1.00 54.12 C ATOM 1928 C TYR A 121 -15.367 -6.529 -2.591 1.00 53.31 C ATOM 1929 O TYR A 121 -16.194 -6.150 -3.421 1.00 3.02 O ATOM 1930 CB TYR A 121 -13.510 -4.833 -2.357 1.00 41.51 C ATOM 1931 CG TYR A 121 -12.108 -4.413 -2.766 1.00 65.13 C ATOM 1932 CD1 TYR A 121 -10.991 -4.930 -2.119 1.00 31.30 C ATOM 1933 CD2 TYR A 121 -11.904 -3.518 -3.812 1.00 15.24 C ATOM 1934 CE1 TYR A 121 -9.714 -4.564 -2.499 1.00 52.32 C ATOM 1935 CE2 TYR A 121 -10.630 -3.151 -4.199 1.00 41.40 C ATOM 1936 CZ TYR A 121 -9.538 -3.676 -3.538 1.00 42.50 C ATOM 1937 OH TYR A 121 -8.267 -3.314 -3.920 1.00 4.13 O ATOM 0 H TYR A 121 -13.882 -5.771 -4.848 1.00 33.24 H new ATOM 0 HA TYR A 121 -13.324 -6.988 -2.193 1.00 54.12 H new ATOM 0 HB2 TYR A 121 -14.231 -4.137 -2.785 1.00 41.51 H new ATOM 0 HB3 TYR A 121 -13.603 -4.762 -1.273 1.00 41.51 H new ATOM 0 HD1 TYR A 121 -11.124 -5.629 -1.306 1.00 31.30 H new ATOM 0 HD2 TYR A 121 -12.756 -3.103 -4.330 1.00 15.24 H new ATOM 0 HE1 TYR A 121 -8.857 -4.972 -1.984 1.00 52.32 H new ATOM 0 HE2 TYR A 121 -10.489 -2.457 -5.014 1.00 41.40 H new ATOM 0 HH TYR A 121 -8.318 -2.682 -4.667 1.00 4.13 H new ATOM 1947 N TYR A 122 -15.715 -7.183 -1.475 1.00 50.33 N ATOM 1948 CA TYR A 122 -17.118 -7.518 -1.163 1.00 51.15 C ATOM 1949 C TYR A 122 -17.448 -7.270 0.321 1.00 11.41 C ATOM 1950 O TYR A 122 -16.656 -7.593 1.202 1.00 33.13 O ATOM 1951 CB TYR A 122 -17.406 -8.989 -1.507 1.00 21.20 C ATOM 1952 CG TYR A 122 -17.163 -9.341 -2.963 1.00 20.23 C ATOM 1953 CD1 TYR A 122 -18.172 -9.205 -3.911 1.00 42.11 C ATOM 1954 CD2 TYR A 122 -15.919 -9.800 -3.391 1.00 61.43 C ATOM 1955 CE1 TYR A 122 -17.951 -9.521 -5.237 1.00 35.14 C ATOM 1956 CE2 TYR A 122 -15.692 -10.115 -4.717 1.00 63.42 C ATOM 1957 CZ TYR A 122 -16.711 -9.974 -5.635 1.00 43.22 C ATOM 1958 OH TYR A 122 -16.489 -10.286 -6.957 1.00 12.21 O ATOM 0 H TYR A 122 -15.046 -7.493 -0.770 1.00 50.33 H new ATOM 0 HA TYR A 122 -17.748 -6.866 -1.769 1.00 51.15 H new ATOM 0 HB2 TYR A 122 -16.782 -9.627 -0.881 1.00 21.20 H new ATOM 0 HB3 TYR A 122 -18.443 -9.214 -1.258 1.00 21.20 H new ATOM 0 HD1 TYR A 122 -19.144 -8.847 -3.605 1.00 42.11 H new ATOM 0 HD2 TYR A 122 -15.119 -9.911 -2.674 1.00 61.43 H new ATOM 0 HE1 TYR A 122 -18.746 -9.414 -5.960 1.00 35.14 H new ATOM 0 HE2 TYR A 122 -14.722 -10.470 -5.033 1.00 63.42 H new ATOM 0 HH TYR A 122 -16.643 -9.492 -7.511 1.00 12.21 H new ATOM 1968 N ILE A 123 -18.627 -6.701 0.592 1.00 34.04 N ATOM 1969 CA ILE A 123 -19.086 -6.466 1.977 1.00 1.24 C ATOM 1970 C ILE A 123 -20.216 -7.431 2.358 1.00 20.14 C ATOM 1971 O ILE A 123 -21.344 -7.284 1.895 1.00 51.33 O ATOM 1972 CB ILE A 123 -19.566 -4.996 2.178 1.00 41.34 C ATOM 1973 CG1 ILE A 123 -18.370 -4.037 2.214 1.00 30.42 C ATOM 1974 CG2 ILE A 123 -20.404 -4.845 3.453 1.00 43.44 C ATOM 1975 CD1 ILE A 123 -17.485 -4.222 3.428 1.00 21.34 C ATOM 0 H ILE A 123 -19.285 -6.393 -0.124 1.00 34.04 H new ATOM 0 HA ILE A 123 -18.231 -6.646 2.629 1.00 1.24 H new ATOM 0 HB ILE A 123 -20.199 -4.740 1.328 1.00 41.34 H new ATOM 0 HG12 ILE A 123 -17.773 -4.180 1.313 1.00 30.42 H new ATOM 0 HG13 ILE A 123 -18.736 -3.011 2.194 1.00 30.42 H new ATOM 0 HG21 ILE A 123 -20.721 -3.807 3.560 1.00 43.44 H new ATOM 0 HG22 ILE A 123 -21.282 -5.488 3.389 1.00 43.44 H new ATOM 0 HG23 ILE A 123 -19.806 -5.132 4.318 1.00 43.44 H new ATOM 0 HD11 ILE A 123 -16.659 -3.511 3.388 1.00 21.34 H new ATOM 0 HD12 ILE A 123 -18.068 -4.051 4.333 1.00 21.34 H new ATOM 0 HD13 ILE A 123 -17.089 -5.238 3.438 1.00 21.34 H new ATOM 1987 N GLU A 124 -19.888 -8.431 3.185 1.00 44.04 N ATOM 1988 CA GLU A 124 -20.859 -9.425 3.705 1.00 10.10 C ATOM 1989 C GLU A 124 -21.796 -9.995 2.617 1.00 72.21 C ATOM 1990 O GLU A 124 -22.863 -10.532 2.922 1.00 12.31 O ATOM 1991 CB GLU A 124 -21.671 -8.836 4.887 1.00 1.14 C ATOM 1992 CG GLU A 124 -22.602 -7.678 4.527 1.00 60.44 C ATOM 1993 CD GLU A 124 -23.168 -6.969 5.750 1.00 55.31 C ATOM 1994 OE1 GLU A 124 -22.438 -6.163 6.368 1.00 14.51 O ATOM 1995 OE2 GLU A 124 -24.347 -7.207 6.096 1.00 63.23 O ATOM 0 H GLU A 124 -18.936 -8.582 3.520 1.00 44.04 H new ATOM 0 HA GLU A 124 -20.270 -10.268 4.067 1.00 10.10 H new ATOM 0 HB2 GLU A 124 -22.266 -9.634 5.331 1.00 1.14 H new ATOM 0 HB3 GLU A 124 -20.973 -8.495 5.652 1.00 1.14 H new ATOM 0 HG2 GLU A 124 -22.058 -6.958 3.916 1.00 60.44 H new ATOM 0 HG3 GLU A 124 -23.424 -8.055 3.919 1.00 60.44 H new ATOM 2002 N GLY A 125 -21.376 -9.918 1.352 1.00 41.23 N ATOM 2003 CA GLY A 125 -22.175 -10.463 0.252 1.00 53.12 C ATOM 2004 C GLY A 125 -22.607 -9.421 -0.780 1.00 32.54 C ATOM 2005 O GLY A 125 -23.016 -9.773 -1.887 1.00 32.15 O ATOM 0 H GLY A 125 -20.496 -9.488 1.066 1.00 41.23 H new ATOM 0 HA2 GLY A 125 -21.599 -11.240 -0.251 1.00 53.12 H new ATOM 0 HA3 GLY A 125 -23.064 -10.941 0.664 1.00 53.12 H new ATOM 2009 N ARG A 126 -22.523 -8.141 -0.428 1.00 33.34 N ATOM 2010 CA ARG A 126 -22.924 -7.061 -1.338 1.00 11.53 C ATOM 2011 C ARG A 126 -21.816 -6.711 -2.344 1.00 11.10 C ATOM 2012 O ARG A 126 -20.624 -6.794 -2.039 1.00 74.14 O ATOM 2013 CB ARG A 126 -23.305 -5.798 -0.553 1.00 12.41 C ATOM 2014 CG ARG A 126 -24.358 -6.022 0.532 1.00 11.31 C ATOM 2015 CD ARG A 126 -24.949 -4.701 1.017 1.00 12.24 C ATOM 2016 NE ARG A 126 -25.790 -4.076 -0.005 1.00 55.00 N ATOM 2017 CZ ARG A 126 -25.739 -2.818 -0.347 1.00 4.15 C ATOM 2018 NH1 ARG A 126 -24.849 -2.024 0.158 1.00 53.00 N ATOM 2019 NH2 ARG A 126 -26.569 -2.368 -1.227 1.00 23.23 N ATOM 0 H ARG A 126 -22.182 -7.822 0.479 1.00 33.34 H new ATOM 0 HA ARG A 126 -23.789 -7.426 -1.891 1.00 11.53 H new ATOM 0 HB2 ARG A 126 -22.407 -5.387 -0.091 1.00 12.41 H new ATOM 0 HB3 ARG A 126 -23.675 -5.048 -1.252 1.00 12.41 H new ATOM 0 HG2 ARG A 126 -25.154 -6.657 0.143 1.00 11.31 H new ATOM 0 HG3 ARG A 126 -23.909 -6.552 1.372 1.00 11.31 H new ATOM 0 HD2 ARG A 126 -25.539 -4.875 1.917 1.00 12.24 H new ATOM 0 HD3 ARG A 126 -24.143 -4.020 1.291 1.00 12.24 H new ATOM 0 HE ARG A 126 -26.467 -4.668 -0.486 1.00 55.00 H new ATOM 0 HH11 ARG A 126 -24.173 -2.380 0.834 1.00 53.00 H new ATOM 0 HH12 ARG A 126 -24.824 -1.043 -0.121 1.00 53.00 H new ATOM 0 HH21 ARG A 126 -27.256 -2.994 -1.647 1.00 23.23 H new ATOM 0 HH22 ARG A 126 -26.538 -1.386 -1.502 1.00 23.23 H new ATOM 2033 N GLU A 127 -22.235 -6.308 -3.540 1.00 71.24 N ATOM 2034 CA GLU A 127 -21.319 -5.868 -4.600 1.00 72.52 C ATOM 2035 C GLU A 127 -20.699 -4.494 -4.270 1.00 34.31 C ATOM 2036 O GLU A 127 -21.409 -3.529 -3.986 1.00 0.32 O ATOM 2037 CB GLU A 127 -22.090 -5.807 -5.928 1.00 23.52 C ATOM 2038 CG GLU A 127 -23.323 -4.905 -5.875 1.00 51.33 C ATOM 2039 CD GLU A 127 -24.255 -5.088 -7.061 1.00 51.40 C ATOM 2040 OE1 GLU A 127 -24.058 -4.412 -8.094 1.00 3.33 O ATOM 2041 OE2 GLU A 127 -25.202 -5.901 -6.954 1.00 50.12 O ATOM 0 H GLU A 127 -23.219 -6.275 -3.807 1.00 71.24 H new ATOM 0 HA GLU A 127 -20.499 -6.582 -4.681 1.00 72.52 H new ATOM 0 HB2 GLU A 127 -21.421 -5.450 -6.711 1.00 23.52 H new ATOM 0 HB3 GLU A 127 -22.398 -6.815 -6.207 1.00 23.52 H new ATOM 0 HG2 GLU A 127 -23.873 -5.107 -4.956 1.00 51.33 H new ATOM 0 HG3 GLU A 127 -23.001 -3.864 -5.832 1.00 51.33 H new ATOM 2048 N ILE A 128 -19.370 -4.410 -4.297 1.00 32.50 N ATOM 2049 CA ILE A 128 -18.672 -3.162 -3.960 1.00 14.50 C ATOM 2050 C ILE A 128 -17.959 -2.563 -5.190 1.00 2.21 C ATOM 2051 O ILE A 128 -17.200 -3.245 -5.882 1.00 21.42 O ATOM 2052 CB ILE A 128 -17.656 -3.393 -2.812 1.00 12.41 C ATOM 2053 CG1 ILE A 128 -18.345 -4.073 -1.616 1.00 75.31 C ATOM 2054 CG2 ILE A 128 -17.020 -2.078 -2.375 1.00 21.24 C ATOM 2055 CD1 ILE A 128 -19.523 -3.296 -1.060 1.00 31.44 C ATOM 0 H ILE A 128 -18.754 -5.184 -4.547 1.00 32.50 H new ATOM 0 HA ILE A 128 -19.424 -2.448 -3.625 1.00 14.50 H new ATOM 0 HB ILE A 128 -16.868 -4.048 -3.184 1.00 12.41 H new ATOM 0 HG12 ILE A 128 -18.687 -5.062 -1.921 1.00 75.31 H new ATOM 0 HG13 ILE A 128 -17.612 -4.219 -0.823 1.00 75.31 H new ATOM 0 HG21 ILE A 128 -16.311 -2.267 -1.569 1.00 21.24 H new ATOM 0 HG22 ILE A 128 -16.498 -1.628 -3.219 1.00 21.24 H new ATOM 0 HG23 ILE A 128 -17.796 -1.398 -2.024 1.00 21.24 H new ATOM 0 HD11 ILE A 128 -19.954 -3.841 -0.220 1.00 31.44 H new ATOM 0 HD12 ILE A 128 -19.186 -2.316 -0.722 1.00 31.44 H new ATOM 0 HD13 ILE A 128 -20.277 -3.172 -1.838 1.00 31.44 H new ATOM 2067 N ASP A 129 -18.202 -1.275 -5.444 1.00 22.31 N ATOM 2068 CA ASP A 129 -17.710 -0.598 -6.657 1.00 14.35 C ATOM 2069 C ASP A 129 -16.239 -0.137 -6.536 1.00 14.12 C ATOM 2070 O ASP A 129 -15.664 0.396 -7.490 1.00 24.41 O ATOM 2071 CB ASP A 129 -18.624 0.599 -6.962 1.00 11.14 C ATOM 2072 CG ASP A 129 -18.350 1.220 -8.321 1.00 11.05 C ATOM 2073 OD1 ASP A 129 -18.695 0.593 -9.345 1.00 10.34 O ATOM 2074 OD2 ASP A 129 -17.786 2.334 -8.379 1.00 71.44 O ATOM 0 H ASP A 129 -18.741 -0.671 -4.823 1.00 22.31 H new ATOM 0 HA ASP A 129 -17.736 -1.317 -7.476 1.00 14.35 H new ATOM 0 HB2 ASP A 129 -19.664 0.276 -6.919 1.00 11.14 H new ATOM 0 HB3 ASP A 129 -18.493 1.356 -6.189 1.00 11.14 H new ATOM 2079 N LEU A 130 -15.630 -0.351 -5.370 1.00 32.01 N ATOM 2080 CA LEU A 130 -14.234 0.055 -5.130 1.00 74.50 C ATOM 2081 C LEU A 130 -13.266 -0.588 -6.141 1.00 71.00 C ATOM 2082 O LEU A 130 -13.429 -1.749 -6.526 1.00 44.05 O ATOM 2083 CB LEU A 130 -13.800 -0.309 -3.700 1.00 24.01 C ATOM 2084 CG LEU A 130 -14.568 0.395 -2.567 1.00 72.11 C ATOM 2085 CD1 LEU A 130 -14.053 -0.060 -1.201 1.00 11.11 C ATOM 2086 CD2 LEU A 130 -14.472 1.914 -2.705 1.00 25.01 C ATOM 0 H LEU A 130 -16.077 -0.803 -4.572 1.00 32.01 H new ATOM 0 HA LEU A 130 -14.191 1.137 -5.259 1.00 74.50 H new ATOM 0 HB2 LEU A 130 -13.907 -1.386 -3.571 1.00 24.01 H new ATOM 0 HB3 LEU A 130 -12.740 -0.079 -3.593 1.00 24.01 H new ATOM 0 HG LEU A 130 -15.619 0.116 -2.645 1.00 72.11 H new ATOM 0 HD11 LEU A 130 -14.609 0.450 -0.414 1.00 11.11 H new ATOM 0 HD12 LEU A 130 -14.188 -1.137 -1.102 1.00 11.11 H new ATOM 0 HD13 LEU A 130 -12.994 0.183 -1.112 1.00 11.11 H new ATOM 0 HD21 LEU A 130 -15.023 2.389 -1.893 1.00 25.01 H new ATOM 0 HD22 LEU A 130 -13.426 2.218 -2.661 1.00 25.01 H new ATOM 0 HD23 LEU A 130 -14.899 2.220 -3.660 1.00 25.01 H new ATOM 2098 N GLY A 131 -12.266 0.183 -6.573 1.00 15.12 N ATOM 2099 CA GLY A 131 -11.266 -0.324 -7.510 1.00 42.01 C ATOM 2100 C GLY A 131 -9.836 0.052 -7.125 1.00 50.41 C ATOM 2101 O GLY A 131 -9.054 -0.801 -6.701 1.00 34.15 O ATOM 0 H GLY A 131 -12.129 1.153 -6.291 1.00 15.12 H new ATOM 0 HA2 GLY A 131 -11.347 -1.410 -7.566 1.00 42.01 H new ATOM 0 HA3 GLY A 131 -11.481 0.063 -8.506 1.00 42.01 H new ATOM 2105 N TYR A 132 -9.487 1.333 -7.272 1.00 32.22 N ATOM 2106 CA TYR A 132 -8.128 1.808 -6.970 1.00 43.13 C ATOM 2107 C TYR A 132 -8.152 3.196 -6.298 1.00 34.03 C ATOM 2108 O TYR A 132 -7.771 3.339 -5.132 1.00 10.14 O ATOM 2109 CB TYR A 132 -7.301 1.859 -8.267 1.00 31.44 C ATOM 2110 CG TYR A 132 -5.798 1.983 -8.057 1.00 12.43 C ATOM 2111 CD1 TYR A 132 -5.205 3.210 -7.767 1.00 42.42 C ATOM 2112 CD2 TYR A 132 -4.971 0.866 -8.158 1.00 61.43 C ATOM 2113 CE1 TYR A 132 -3.838 3.318 -7.588 1.00 15.22 C ATOM 2114 CE2 TYR A 132 -3.605 0.969 -7.977 1.00 32.23 C ATOM 2115 CZ TYR A 132 -3.044 2.195 -7.693 1.00 34.43 C ATOM 2116 OH TYR A 132 -1.680 2.298 -7.520 1.00 61.34 O ATOM 0 H TYR A 132 -10.123 2.061 -7.597 1.00 32.22 H new ATOM 0 HA TYR A 132 -7.668 1.110 -6.270 1.00 43.13 H new ATOM 0 HB2 TYR A 132 -7.500 0.957 -8.845 1.00 31.44 H new ATOM 0 HB3 TYR A 132 -7.642 2.703 -8.866 1.00 31.44 H new ATOM 0 HD1 TYR A 132 -5.823 4.091 -7.681 1.00 42.42 H new ATOM 0 HD2 TYR A 132 -5.405 -0.097 -8.382 1.00 61.43 H new ATOM 0 HE1 TYR A 132 -3.394 4.277 -7.367 1.00 15.22 H new ATOM 0 HE2 TYR A 132 -2.980 0.092 -8.058 1.00 32.23 H new ATOM 0 HH TYR A 132 -1.269 1.415 -7.626 1.00 61.34 H new ATOM 2126 N GLY A 133 -8.614 4.209 -7.037 1.00 11.01 N ATOM 2127 CA GLY A 133 -8.637 5.586 -6.530 1.00 64.31 C ATOM 2128 C GLY A 133 -9.387 5.738 -5.208 1.00 3.33 C ATOM 2129 O GLY A 133 -8.923 6.419 -4.295 1.00 20.43 O ATOM 0 H GLY A 133 -8.976 4.103 -7.985 1.00 11.01 H new ATOM 0 HA2 GLY A 133 -7.612 5.933 -6.399 1.00 64.31 H new ATOM 0 HA3 GLY A 133 -9.099 6.232 -7.277 1.00 64.31 H new ATOM 2133 N GLU A 134 -10.549 5.103 -5.103 1.00 61.15 N ATOM 2134 CA GLU A 134 -11.327 5.111 -3.860 1.00 25.13 C ATOM 2135 C GLU A 134 -10.673 4.220 -2.790 1.00 2.40 C ATOM 2136 O GLU A 134 -10.730 4.515 -1.598 1.00 11.33 O ATOM 2137 CB GLU A 134 -12.761 4.629 -4.130 1.00 24.33 C ATOM 2138 CG GLU A 134 -13.539 5.485 -5.127 1.00 61.14 C ATOM 2139 CD GLU A 134 -13.859 6.877 -4.599 1.00 12.30 C ATOM 2140 OE1 GLU A 134 -14.854 7.024 -3.858 1.00 71.41 O ATOM 2141 OE2 GLU A 134 -13.126 7.832 -4.931 1.00 62.20 O ATOM 0 H GLU A 134 -10.977 4.574 -5.863 1.00 61.15 H new ATOM 0 HA GLU A 134 -11.353 6.135 -3.486 1.00 25.13 H new ATOM 0 HB2 GLU A 134 -12.723 3.605 -4.502 1.00 24.33 H new ATOM 0 HB3 GLU A 134 -13.307 4.606 -3.187 1.00 24.33 H new ATOM 0 HG2 GLU A 134 -12.961 5.576 -6.047 1.00 61.14 H new ATOM 0 HG3 GLU A 134 -14.469 4.978 -5.384 1.00 61.14 H new ATOM 2148 N ALA A 135 -10.025 3.144 -3.237 1.00 10.20 N ATOM 2149 CA ALA A 135 -9.451 2.138 -2.332 1.00 10.11 C ATOM 2150 C ALA A 135 -8.359 2.720 -1.414 1.00 43.10 C ATOM 2151 O ALA A 135 -8.162 2.246 -0.294 1.00 53.31 O ATOM 2152 CB ALA A 135 -8.901 0.967 -3.140 1.00 42.51 C ATOM 0 H ALA A 135 -9.882 2.943 -4.227 1.00 10.20 H new ATOM 0 HA ALA A 135 -10.254 1.790 -1.682 1.00 10.11 H new ATOM 0 HB1 ALA A 135 -8.477 0.225 -2.463 1.00 42.51 H new ATOM 0 HB2 ALA A 135 -9.706 0.513 -3.717 1.00 42.51 H new ATOM 0 HB3 ALA A 135 -8.126 1.325 -3.818 1.00 42.51 H new ATOM 2158 N THR A 136 -7.646 3.741 -1.886 1.00 64.12 N ATOM 2159 CA THR A 136 -6.592 4.386 -1.075 1.00 61.05 C ATOM 2160 C THR A 136 -7.173 5.374 -0.044 1.00 61.31 C ATOM 2161 O THR A 136 -6.450 5.888 0.811 1.00 5.31 O ATOM 2162 CB THR A 136 -5.560 5.133 -1.960 1.00 24.33 C ATOM 2163 OG1 THR A 136 -4.505 5.681 -1.150 1.00 4.45 O ATOM 2164 CG2 THR A 136 -6.220 6.251 -2.758 1.00 63.22 C ATOM 0 H THR A 136 -7.770 4.143 -2.815 1.00 64.12 H new ATOM 0 HA THR A 136 -6.091 3.577 -0.544 1.00 61.05 H new ATOM 0 HB THR A 136 -5.142 4.408 -2.658 1.00 24.33 H new ATOM 0 HG1 THR A 136 -4.811 5.759 -0.222 1.00 4.45 H new ATOM 0 HG21 THR A 136 -5.470 6.755 -3.368 1.00 63.22 H new ATOM 0 HG22 THR A 136 -6.990 5.831 -3.404 1.00 63.22 H new ATOM 0 HG23 THR A 136 -6.672 6.968 -2.073 1.00 63.22 H new ATOM 2172 N LYS A 137 -8.477 5.637 -0.131 1.00 14.43 N ATOM 2173 CA LYS A 137 -9.148 6.583 0.773 1.00 0.23 C ATOM 2174 C LYS A 137 -9.708 5.879 2.023 1.00 23.32 C ATOM 2175 O LYS A 137 -9.775 6.470 3.105 1.00 71.11 O ATOM 2176 CB LYS A 137 -10.264 7.304 0.009 1.00 11.04 C ATOM 2177 CG LYS A 137 -9.755 8.079 -1.205 1.00 2.12 C ATOM 2178 CD LYS A 137 -10.890 8.651 -2.052 1.00 31.15 C ATOM 2179 CE LYS A 137 -10.351 9.422 -3.252 1.00 25.41 C ATOM 2180 NZ LYS A 137 -11.436 9.899 -4.151 1.00 50.13 N ATOM 0 H LYS A 137 -9.095 5.208 -0.820 1.00 14.43 H new ATOM 0 HA LYS A 137 -8.414 7.310 1.121 1.00 0.23 H new ATOM 0 HB2 LYS A 137 -11.003 6.573 -0.318 1.00 11.04 H new ATOM 0 HB3 LYS A 137 -10.773 7.992 0.684 1.00 11.04 H new ATOM 0 HG2 LYS A 137 -9.111 8.892 -0.869 1.00 2.12 H new ATOM 0 HG3 LYS A 137 -9.142 7.421 -1.821 1.00 2.12 H new ATOM 0 HD2 LYS A 137 -11.533 7.841 -2.396 1.00 31.15 H new ATOM 0 HD3 LYS A 137 -11.506 9.310 -1.441 1.00 31.15 H new ATOM 0 HE2 LYS A 137 -9.771 10.276 -2.902 1.00 25.41 H new ATOM 0 HE3 LYS A 137 -9.670 8.784 -3.815 1.00 25.41 H new ATOM 0 HZ1 LYS A 137 -11.021 10.417 -4.952 1.00 50.13 H new ATOM 0 HZ2 LYS A 137 -11.975 9.084 -4.508 1.00 50.13 H new ATOM 0 HZ3 LYS A 137 -12.072 10.530 -3.623 1.00 50.13 H new ATOM 2194 N ILE A 138 -10.121 4.620 1.864 1.00 53.54 N ATOM 2195 CA ILE A 138 -10.565 3.793 2.996 1.00 53.10 C ATOM 2196 C ILE A 138 -9.352 3.151 3.693 1.00 42.11 C ATOM 2197 O ILE A 138 -8.418 2.713 3.029 1.00 25.44 O ATOM 2198 CB ILE A 138 -11.541 2.661 2.547 1.00 24.30 C ATOM 2199 CG1 ILE A 138 -12.854 3.237 1.972 1.00 30.15 C ATOM 2200 CG2 ILE A 138 -11.844 1.710 3.708 1.00 11.00 C ATOM 2201 CD1 ILE A 138 -12.720 3.851 0.594 1.00 4.11 C ATOM 0 H ILE A 138 -10.158 4.147 0.961 1.00 53.54 H new ATOM 0 HA ILE A 138 -11.094 4.453 3.684 1.00 53.10 H new ATOM 0 HB ILE A 138 -11.044 2.100 1.755 1.00 24.30 H new ATOM 0 HG12 ILE A 138 -13.598 2.441 1.931 1.00 30.15 H new ATOM 0 HG13 ILE A 138 -13.235 3.994 2.658 1.00 30.15 H new ATOM 0 HG21 ILE A 138 -12.526 0.930 3.371 1.00 11.00 H new ATOM 0 HG22 ILE A 138 -10.917 1.255 4.057 1.00 11.00 H new ATOM 0 HG23 ILE A 138 -12.305 2.267 4.524 1.00 11.00 H new ATOM 0 HD11 ILE A 138 -13.689 4.230 0.269 1.00 4.11 H new ATOM 0 HD12 ILE A 138 -12.003 4.671 0.629 1.00 4.11 H new ATOM 0 HD13 ILE A 138 -12.371 3.095 -0.109 1.00 4.11 H new ATOM 2213 N TRP A 139 -9.354 3.110 5.026 1.00 54.11 N ATOM 2214 CA TRP A 139 -8.269 2.464 5.785 1.00 34.12 C ATOM 2215 C TRP A 139 -8.809 1.320 6.658 1.00 42.14 C ATOM 2216 O TRP A 139 -9.780 1.490 7.402 1.00 25.35 O ATOM 2217 CB TRP A 139 -7.517 3.497 6.639 1.00 13.12 C ATOM 2218 CG TRP A 139 -6.686 4.457 5.828 1.00 65.01 C ATOM 2219 CD1 TRP A 139 -7.123 5.279 4.830 1.00 42.43 C ATOM 2220 CD2 TRP A 139 -5.278 4.695 5.950 1.00 5.03 C ATOM 2221 NE1 TRP A 139 -6.076 6.004 4.319 1.00 45.20 N ATOM 2222 CE2 TRP A 139 -4.933 5.665 4.992 1.00 21.10 C ATOM 2223 CE3 TRP A 139 -4.275 4.178 6.776 1.00 32.41 C ATOM 2224 CZ2 TRP A 139 -3.629 6.132 4.837 1.00 32.53 C ATOM 2225 CZ3 TRP A 139 -2.980 4.641 6.624 1.00 64.02 C ATOM 2226 CH2 TRP A 139 -2.667 5.610 5.661 1.00 21.41 C ATOM 0 H TRP A 139 -10.090 3.513 5.606 1.00 54.11 H new ATOM 0 HA TRP A 139 -7.567 2.034 5.071 1.00 34.12 H new ATOM 0 HB2 TRP A 139 -8.238 4.062 7.230 1.00 13.12 H new ATOM 0 HB3 TRP A 139 -6.870 2.973 7.342 1.00 13.12 H new ATOM 0 HD1 TRP A 139 -8.146 5.349 4.491 1.00 42.43 H new ATOM 0 HE1 TRP A 139 -6.139 6.684 3.562 1.00 45.20 H new ATOM 0 HE3 TRP A 139 -4.507 3.430 7.520 1.00 32.41 H new ATOM 0 HZ2 TRP A 139 -3.386 6.878 4.095 1.00 32.53 H new ATOM 0 HZ3 TRP A 139 -2.198 4.249 7.258 1.00 64.02 H new ATOM 0 HH2 TRP A 139 -1.647 5.952 5.567 1.00 21.41 H new ATOM 2237 N VAL A 140 -8.164 0.156 6.568 1.00 11.15 N ATOM 2238 CA VAL A 140 -8.670 -1.076 7.190 1.00 41.34 C ATOM 2239 C VAL A 140 -7.610 -1.793 8.050 1.00 3.24 C ATOM 2240 O VAL A 140 -6.421 -1.475 8.000 1.00 72.21 O ATOM 2241 CB VAL A 140 -9.178 -2.062 6.103 1.00 74.05 C ATOM 2242 CG1 VAL A 140 -10.397 -1.496 5.373 1.00 13.43 C ATOM 2243 CG2 VAL A 140 -8.061 -2.383 5.109 1.00 31.32 C ATOM 0 H VAL A 140 -7.283 0.037 6.067 1.00 11.15 H new ATOM 0 HA VAL A 140 -9.487 -0.773 7.845 1.00 41.34 H new ATOM 0 HB VAL A 140 -9.480 -2.984 6.599 1.00 74.05 H new ATOM 0 HG11 VAL A 140 -10.731 -2.207 4.618 1.00 13.43 H new ATOM 0 HG12 VAL A 140 -11.201 -1.322 6.088 1.00 13.43 H new ATOM 0 HG13 VAL A 140 -10.129 -0.555 4.892 1.00 13.43 H new ATOM 0 HG21 VAL A 140 -8.434 -3.075 4.354 1.00 31.32 H new ATOM 0 HG22 VAL A 140 -7.728 -1.464 4.626 1.00 31.32 H new ATOM 0 HG23 VAL A 140 -7.224 -2.839 5.637 1.00 31.32 H new ATOM 2253 N ARG A 141 -8.066 -2.762 8.850 1.00 53.41 N ATOM 2254 CA ARG A 141 -7.172 -3.636 9.628 1.00 64.42 C ATOM 2255 C ARG A 141 -7.560 -5.121 9.471 1.00 42.24 C ATOM 2256 O ARG A 141 -8.719 -5.451 9.213 1.00 13.44 O ATOM 2257 CB ARG A 141 -7.164 -3.225 11.112 1.00 12.41 C ATOM 2258 CG ARG A 141 -6.208 -2.071 11.415 1.00 44.32 C ATOM 2259 CD ARG A 141 -6.178 -1.703 12.901 1.00 1.31 C ATOM 2260 NE ARG A 141 -7.130 -0.644 13.244 1.00 52.12 N ATOM 2261 CZ ARG A 141 -7.669 -0.492 14.425 1.00 12.31 C ATOM 2262 NH1 ARG A 141 -7.458 -1.355 15.369 1.00 21.34 N ATOM 2263 NH2 ARG A 141 -8.429 0.531 14.655 1.00 10.04 N ATOM 0 H ARG A 141 -9.057 -2.965 8.979 1.00 53.41 H new ATOM 0 HA ARG A 141 -6.163 -3.515 9.234 1.00 64.42 H new ATOM 0 HB2 ARG A 141 -8.173 -2.939 11.408 1.00 12.41 H new ATOM 0 HB3 ARG A 141 -6.886 -4.087 11.719 1.00 12.41 H new ATOM 0 HG2 ARG A 141 -5.203 -2.343 11.092 1.00 44.32 H new ATOM 0 HG3 ARG A 141 -6.504 -1.197 10.834 1.00 44.32 H new ATOM 0 HD2 ARG A 141 -6.399 -2.590 13.495 1.00 1.31 H new ATOM 0 HD3 ARG A 141 -5.172 -1.382 13.171 1.00 1.31 H new ATOM 0 HE ARG A 141 -7.389 0.018 12.513 1.00 52.12 H new ATOM 0 HH11 ARG A 141 -6.864 -2.166 15.195 1.00 21.34 H new ATOM 0 HH12 ARG A 141 -7.886 -1.223 16.286 1.00 21.34 H new ATOM 0 HH21 ARG A 141 -8.604 1.213 13.917 1.00 10.04 H new ATOM 0 HH22 ARG A 141 -8.853 0.655 15.575 1.00 10.04 H new ATOM 2277 N ARG A 142 -6.575 -6.007 9.615 1.00 51.45 N ATOM 2278 CA ARG A 142 -6.765 -7.447 9.384 1.00 20.11 C ATOM 2279 C ARG A 142 -7.457 -8.130 10.578 1.00 71.32 C ATOM 2280 O ARG A 142 -6.862 -8.280 11.643 1.00 4.32 O ATOM 2281 CB ARG A 142 -5.397 -8.105 9.123 1.00 42.45 C ATOM 2282 CG ARG A 142 -5.454 -9.460 8.420 1.00 22.42 C ATOM 2283 CD ARG A 142 -6.155 -9.357 7.068 1.00 72.05 C ATOM 2284 NE ARG A 142 -5.733 -10.391 6.119 1.00 74.32 N ATOM 2285 CZ ARG A 142 -6.518 -11.328 5.666 1.00 2.24 C ATOM 2286 NH1 ARG A 142 -7.688 -11.505 6.181 1.00 61.41 N ATOM 2287 NH2 ARG A 142 -6.122 -12.106 4.713 1.00 10.00 N ATOM 0 H ARG A 142 -5.627 -5.754 9.893 1.00 51.45 H new ATOM 0 HA ARG A 142 -7.412 -7.570 8.515 1.00 20.11 H new ATOM 0 HB2 ARG A 142 -4.793 -7.426 8.521 1.00 42.45 H new ATOM 0 HB3 ARG A 142 -4.883 -8.229 10.076 1.00 42.45 H new ATOM 0 HG2 ARG A 142 -4.443 -9.841 8.279 1.00 22.42 H new ATOM 0 HG3 ARG A 142 -5.980 -10.177 9.051 1.00 22.42 H new ATOM 0 HD2 ARG A 142 -7.232 -9.428 7.218 1.00 72.05 H new ATOM 0 HD3 ARG A 142 -5.958 -8.375 6.637 1.00 72.05 H new ATOM 0 HE ARG A 142 -4.767 -10.377 5.793 1.00 74.32 H new ATOM 0 HH11 ARG A 142 -8.003 -10.910 6.947 1.00 61.41 H new ATOM 0 HH12 ARG A 142 -8.297 -12.240 5.822 1.00 61.41 H new ATOM 0 HH21 ARG A 142 -5.192 -11.988 4.312 1.00 10.00 H new ATOM 0 HH22 ARG A 142 -6.740 -12.838 4.362 1.00 10.00 H new ATOM 2301 N VAL A 143 -8.714 -8.542 10.396 1.00 1.12 N ATOM 2302 CA VAL A 143 -9.461 -9.237 11.458 1.00 41.51 C ATOM 2303 C VAL A 143 -9.447 -10.769 11.261 1.00 13.22 C ATOM 2304 O VAL A 143 -9.171 -11.520 12.202 1.00 31.45 O ATOM 2305 CB VAL A 143 -10.922 -8.720 11.561 1.00 14.20 C ATOM 2306 CG1 VAL A 143 -10.935 -7.242 11.934 1.00 31.34 C ATOM 2307 CG2 VAL A 143 -11.693 -8.950 10.262 1.00 65.00 C ATOM 0 H VAL A 143 -9.237 -8.410 9.530 1.00 1.12 H new ATOM 0 HA VAL A 143 -8.952 -9.013 12.396 1.00 41.51 H new ATOM 0 HB VAL A 143 -11.421 -9.288 12.346 1.00 14.20 H new ATOM 0 HG11 VAL A 143 -11.965 -6.893 12.003 1.00 31.34 H new ATOM 0 HG12 VAL A 143 -10.441 -7.105 12.896 1.00 31.34 H new ATOM 0 HG13 VAL A 143 -10.408 -6.669 11.171 1.00 31.34 H new ATOM 0 HG21 VAL A 143 -12.711 -8.576 10.372 1.00 65.00 H new ATOM 0 HG22 VAL A 143 -11.198 -8.422 9.447 1.00 65.00 H new ATOM 0 HG23 VAL A 143 -11.721 -10.017 10.039 1.00 65.00 H new