USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 810 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 14 LYS NZ :NH3+ -170:sc= -3.99! (180deg=0) USER MOD Set 1.2: A 50 ASN : amide:sc= -10.1! C(o=-19!,f=-7.8!) USER MOD Set 1.3: A 53 HIS : no HD1:sc= -4.98! K(o=-19!,f=-7.8) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -0.0864 (180deg=-0.598) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -132:sc= -6.54! (180deg=-9.74!) USER MOD Single : A 31 ASN : amide:sc= -4.27! C(o=-4.3!,f=-7.4!) USER MOD Single : A 36 THR OG1 : rot -150:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= -0.0129 (180deg=-0.256) USER MOD Single : A 42 THR OG1 : rot 160:sc= 0.00322 USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= -1.16 (180deg=-1.23) USER MOD Single : A 57 THR OG1 : rot -56:sc= 0.371 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.231) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.202) USER MOD Single : A 64 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.28) USER MOD Single : A 65 LYS NZ :NH3+ -129:sc= 0.93 (180deg=-0.451) USER MOD Single : A 68 SER OG : rot 180:sc= -0.379 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -121:sc= -0.0326 (180deg=-0.273) USER MOD Single : A 75 LYS NZ :NH3+ -95:sc= -15.3! (180deg=-18.1!) USER MOD Single : A 79 SER OG : rot -13:sc= -2.89! USER MOD Single : A 80 ASN : amide:sc= -2.74! K(o=-2.7!,f=-1.6) USER MOD Single : A 82 THR OG1 : rot -150:sc= 0.00298 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -160:sc= 0 (180deg=-0.65) USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= 0.0852 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= -0.093 (180deg=-0.815) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 -11.563 10.263 -9.299 1.00 3.54 N ATOM 2 CA PRO A 2 -11.856 8.805 -9.185 1.00 3.22 C ATOM 3 C PRO A 2 -12.491 8.422 -7.842 1.00 2.97 C ATOM 4 O PRO A 2 -12.218 9.014 -6.818 1.00 3.29 O ATOM 5 CB PRO A 2 -10.491 8.119 -9.331 1.00 2.98 C ATOM 6 CG PRO A 2 -9.459 9.197 -9.231 1.00 2.96 C ATOM 7 CD PRO A 2 -10.147 10.510 -9.604 1.00 3.44 C ATOM 0 HA PRO A 2 -12.579 8.503 -9.942 1.00 3.22 H new ATOM 0 HB2 PRO A 2 -10.347 7.371 -8.551 1.00 2.98 H new ATOM 0 HB3 PRO A 2 -10.418 7.600 -10.287 1.00 2.98 H new ATOM 0 HG2 PRO A 2 -9.052 9.248 -8.221 1.00 2.96 H new ATOM 0 HG3 PRO A 2 -8.624 8.995 -9.902 1.00 2.96 H new ATOM 0 HD2 PRO A 2 -9.753 11.346 -9.026 1.00 3.44 H new ATOM 0 HD3 PRO A 2 -10.001 10.753 -10.656 1.00 3.44 H new ATOM 17 N ALA A 3 -13.348 7.437 -7.854 1.00 2.90 N ATOM 18 CA ALA A 3 -14.023 7.002 -6.595 1.00 2.92 C ATOM 19 C ALA A 3 -14.343 5.510 -6.702 1.00 2.53 C ATOM 20 O ALA A 3 -15.476 5.096 -6.837 1.00 2.98 O ATOM 21 CB ALA A 3 -15.320 7.793 -6.407 1.00 3.57 C ATOM 0 H ALA A 3 -13.612 6.911 -8.687 1.00 2.90 H new ATOM 0 HA ALA A 3 -13.370 7.183 -5.741 1.00 2.92 H new ATOM 0 HB1 ALA A 3 -15.811 7.474 -5.488 1.00 3.57 H new ATOM 0 HB2 ALA A 3 -15.092 8.857 -6.346 1.00 3.57 H new ATOM 0 HB3 ALA A 3 -15.982 7.612 -7.254 1.00 3.57 H new ATOM 27 N ILE A 4 -13.307 4.720 -6.662 1.00 2.32 N ATOM 28 CA ILE A 4 -13.427 3.240 -6.778 1.00 2.33 C ATOM 29 C ILE A 4 -13.016 2.587 -5.454 1.00 1.75 C ATOM 30 O ILE A 4 -12.146 3.073 -4.761 1.00 2.20 O ATOM 31 CB ILE A 4 -12.530 2.738 -7.906 1.00 3.33 C ATOM 32 CG1 ILE A 4 -12.925 3.437 -9.210 1.00 4.20 C ATOM 33 CG2 ILE A 4 -12.713 1.228 -8.060 1.00 3.78 C ATOM 34 CD1 ILE A 4 -11.948 3.050 -10.323 1.00 5.43 C ATOM 0 H ILE A 4 -12.349 5.052 -6.550 1.00 2.32 H new ATOM 0 HA ILE A 4 -14.461 2.977 -7.002 1.00 2.33 H new ATOM 0 HB ILE A 4 -11.487 2.956 -7.676 1.00 3.33 H new ATOM 0 HG12 ILE A 4 -13.940 3.156 -9.491 1.00 4.20 H new ATOM 0 HG13 ILE A 4 -12.921 4.518 -9.070 1.00 4.20 H new ATOM 0 HG21 ILE A 4 -12.074 0.864 -8.865 1.00 3.78 H new ATOM 0 HG22 ILE A 4 -12.441 0.732 -7.128 1.00 3.78 H new ATOM 0 HG23 ILE A 4 -13.754 1.010 -8.297 1.00 3.78 H new ATOM 0 HD11 ILE A 4 -12.234 3.550 -11.248 1.00 5.43 H new ATOM 0 HD12 ILE A 4 -10.939 3.353 -10.043 1.00 5.43 H new ATOM 0 HD13 ILE A 4 -11.974 1.970 -10.471 1.00 5.43 H new ATOM 46 N GLU A 5 -13.624 1.484 -5.098 1.00 1.58 N ATOM 47 CA GLU A 5 -13.286 0.770 -3.832 1.00 1.64 C ATOM 48 C GLU A 5 -11.837 0.281 -3.876 1.00 1.26 C ATOM 49 O GLU A 5 -11.265 0.135 -4.933 1.00 1.71 O ATOM 50 CB GLU A 5 -14.219 -0.429 -3.670 1.00 2.56 C ATOM 51 CG GLU A 5 -15.663 0.060 -3.576 1.00 3.25 C ATOM 52 CD GLU A 5 -16.592 -1.132 -3.339 1.00 4.18 C ATOM 53 OE1 GLU A 5 -16.118 -2.253 -3.429 1.00 4.72 O ATOM 54 OE2 GLU A 5 -17.761 -0.903 -3.073 1.00 4.68 O ATOM 0 H GLU A 5 -14.359 1.039 -5.647 1.00 1.58 H new ATOM 0 HA GLU A 5 -13.406 1.453 -2.991 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -14.108 -1.107 -4.516 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -13.955 -0.991 -2.774 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -15.762 0.779 -2.763 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -15.944 0.576 -4.494 1.00 3.25 H new ATOM 61 N VAL A 6 -11.243 0.094 -2.718 1.00 1.37 N ATOM 62 CA VAL A 6 -9.817 -0.339 -2.587 1.00 1.13 C ATOM 63 C VAL A 6 -9.449 -1.456 -3.568 1.00 0.99 C ATOM 64 O VAL A 6 -9.961 -1.551 -4.661 1.00 1.03 O ATOM 65 CB VAL A 6 -9.602 -0.855 -1.166 1.00 1.36 C ATOM 66 CG1 VAL A 6 -10.122 0.175 -0.160 1.00 2.38 C ATOM 67 CG2 VAL A 6 -10.367 -2.168 -0.981 1.00 1.54 C ATOM 0 H VAL A 6 -11.712 0.231 -1.823 1.00 1.37 H new ATOM 0 HA VAL A 6 -9.185 0.520 -2.811 1.00 1.13 H new ATOM 0 HB VAL A 6 -8.538 -1.021 -1.000 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -9.967 -0.196 0.853 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -9.583 1.114 -0.289 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -11.186 0.341 -0.327 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -10.215 -2.538 0.033 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -11.430 -1.996 -1.149 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -10.001 -2.906 -1.695 1.00 1.54 H new ATOM 77 N GLY A 7 -8.533 -2.305 -3.203 1.00 0.95 N ATOM 78 CA GLY A 7 -8.127 -3.377 -4.140 1.00 0.96 C ATOM 79 C GLY A 7 -7.170 -2.743 -5.144 1.00 0.91 C ATOM 80 O GLY A 7 -7.024 -3.187 -6.267 1.00 1.47 O ATOM 0 H GLY A 7 -8.053 -2.301 -2.303 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -7.642 -4.194 -3.606 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -8.996 -3.798 -4.646 1.00 0.96 H new ATOM 84 N ARG A 8 -6.585 -1.644 -4.749 1.00 0.62 N ATOM 85 CA ARG A 8 -5.696 -0.863 -5.653 1.00 0.60 C ATOM 86 C ARG A 8 -4.368 -0.606 -4.925 1.00 0.52 C ATOM 87 O ARG A 8 -4.264 -0.826 -3.734 1.00 0.57 O ATOM 88 CB ARG A 8 -6.353 0.495 -5.912 1.00 0.67 C ATOM 89 CG ARG A 8 -7.752 0.319 -6.531 1.00 1.19 C ATOM 90 CD ARG A 8 -8.412 1.686 -6.746 1.00 1.16 C ATOM 91 NE ARG A 8 -7.712 2.457 -7.810 1.00 1.98 N ATOM 92 CZ ARG A 8 -8.218 3.593 -8.217 1.00 2.55 C ATOM 93 NH1 ARG A 8 -9.344 4.020 -7.717 1.00 2.63 N ATOM 94 NH2 ARG A 8 -7.603 4.301 -9.119 1.00 3.56 N ATOM 0 H ARG A 8 -6.690 -1.247 -3.815 1.00 0.62 H new ATOM 0 HA ARG A 8 -5.531 -1.404 -6.584 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -6.432 1.050 -4.977 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -5.726 1.085 -6.581 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -7.673 -0.208 -7.482 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -8.373 -0.294 -5.877 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -9.458 1.549 -7.020 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -8.398 2.251 -5.814 1.00 1.16 H new ATOM 0 HE ARG A 8 -6.847 2.103 -8.218 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -9.829 3.469 -7.009 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -9.739 4.905 -8.033 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -6.722 3.971 -9.513 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -8.002 5.186 -9.432 1.00 3.56 H new ATOM 108 N ILE A 9 -3.369 -0.099 -5.609 1.00 0.50 N ATOM 109 CA ILE A 9 -2.075 0.215 -4.912 1.00 0.51 C ATOM 110 C ILE A 9 -2.089 1.664 -4.487 1.00 0.41 C ATOM 111 O ILE A 9 -2.693 2.518 -5.115 1.00 0.39 O ATOM 112 CB ILE A 9 -0.827 -0.051 -5.770 1.00 0.64 C ATOM 113 CG1 ILE A 9 -0.756 -1.528 -6.111 1.00 1.05 C ATOM 114 CG2 ILE A 9 0.450 0.356 -5.011 1.00 0.92 C ATOM 115 CD1 ILE A 9 0.435 -1.776 -7.042 1.00 1.43 C ATOM 0 H ILE A 9 -3.390 0.110 -6.607 1.00 0.50 H new ATOM 0 HA ILE A 9 -2.007 -0.454 -4.054 1.00 0.51 H new ATOM 0 HB ILE A 9 -0.898 0.541 -6.682 1.00 0.64 H new ATOM 0 HG12 ILE A 9 -0.650 -2.118 -5.201 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -1.681 -1.847 -6.592 1.00 1.05 H new ATOM 0 HG21 ILE A 9 1.322 0.160 -5.635 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.407 1.418 -4.770 1.00 0.92 H new ATOM 0 HG23 ILE A 9 0.526 -0.222 -4.090 1.00 0.92 H new ATOM 0 HD11 ILE A 9 0.489 -2.836 -7.289 1.00 1.43 H new ATOM 0 HD12 ILE A 9 0.309 -1.196 -7.956 1.00 1.43 H new ATOM 0 HD13 ILE A 9 1.356 -1.472 -6.544 1.00 1.43 H new ATOM 127 N CYS A 10 -1.479 1.912 -3.361 1.00 0.40 N ATOM 128 CA CYS A 10 -1.472 3.291 -2.785 1.00 0.35 C ATOM 129 C CYS A 10 -0.053 3.833 -2.567 1.00 0.35 C ATOM 130 O CYS A 10 0.907 3.099 -2.432 1.00 0.40 O ATOM 131 CB CYS A 10 -2.180 3.258 -1.427 1.00 0.36 C ATOM 132 SG CYS A 10 -1.673 1.781 -0.501 1.00 1.19 S ATOM 0 H CYS A 10 -0.980 1.214 -2.809 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.978 3.944 -3.496 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -1.937 4.156 -0.858 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -3.261 3.255 -1.570 1.00 0.36 H new ATOM 137 N VAL A 11 0.059 5.143 -2.550 1.00 0.34 N ATOM 138 CA VAL A 11 1.399 5.821 -2.362 1.00 0.41 C ATOM 139 C VAL A 11 1.321 6.839 -1.213 1.00 0.41 C ATOM 140 O VAL A 11 0.320 7.468 -1.045 1.00 0.39 O ATOM 141 CB VAL A 11 1.783 6.538 -3.657 1.00 0.53 C ATOM 142 CG1 VAL A 11 3.186 7.130 -3.520 1.00 0.79 C ATOM 143 CG2 VAL A 11 1.762 5.540 -4.817 1.00 0.95 C ATOM 0 H VAL A 11 -0.727 5.784 -2.659 1.00 0.34 H new ATOM 0 HA VAL A 11 2.151 5.071 -2.117 1.00 0.41 H new ATOM 0 HB VAL A 11 1.070 7.339 -3.852 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.457 7.640 -4.444 1.00 0.79 H new ATOM 0 HG12 VAL A 11 3.202 7.842 -2.694 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.901 6.331 -3.324 1.00 0.79 H new ATOM 0 HG21 VAL A 11 2.036 6.050 -5.741 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.474 4.739 -4.620 1.00 0.95 H new ATOM 0 HG23 VAL A 11 0.761 5.120 -4.917 1.00 0.95 H new ATOM 153 N LYS A 12 2.291 6.988 -0.352 1.00 0.50 N ATOM 154 CA LYS A 12 2.092 7.935 0.796 1.00 0.58 C ATOM 155 C LYS A 12 2.342 9.394 0.379 1.00 0.66 C ATOM 156 O LYS A 12 3.296 9.684 -0.302 1.00 0.86 O ATOM 157 CB LYS A 12 3.203 7.615 1.820 1.00 0.77 C ATOM 158 CG LYS A 12 2.969 8.325 3.158 1.00 1.44 C ATOM 159 CD LYS A 12 1.863 7.623 3.958 1.00 1.81 C ATOM 160 CE LYS A 12 1.747 8.280 5.328 1.00 2.64 C ATOM 161 NZ LYS A 12 2.979 8.003 6.120 1.00 3.12 N ATOM 0 H LYS A 12 3.192 6.511 -0.385 1.00 0.50 H new ATOM 0 HA LYS A 12 1.074 7.824 1.170 1.00 0.58 H new ATOM 0 HB2 LYS A 12 3.247 6.538 1.983 1.00 0.77 H new ATOM 0 HB3 LYS A 12 4.169 7.915 1.414 1.00 0.77 H new ATOM 0 HG2 LYS A 12 3.893 8.335 3.737 1.00 1.44 H new ATOM 0 HG3 LYS A 12 2.693 9.364 2.981 1.00 1.44 H new ATOM 0 HD2 LYS A 12 0.914 7.691 3.427 1.00 1.81 H new ATOM 0 HD3 LYS A 12 2.093 6.563 4.067 1.00 1.81 H new ATOM 0 HE2 LYS A 12 1.608 9.355 5.216 1.00 2.64 H new ATOM 0 HE3 LYS A 12 0.871 7.898 5.853 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 2.763 8.076 7.135 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 3.321 7.044 5.907 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 3.714 8.696 5.872 1.00 3.12 H new ATOM 175 N VAL A 13 1.506 10.328 0.815 1.00 0.63 N ATOM 176 CA VAL A 13 1.769 11.763 0.469 1.00 0.80 C ATOM 177 C VAL A 13 1.960 12.574 1.759 1.00 0.93 C ATOM 178 O VAL A 13 1.026 13.000 2.408 1.00 0.88 O ATOM 179 CB VAL A 13 0.590 12.332 -0.321 1.00 0.82 C ATOM 180 CG1 VAL A 13 0.517 13.858 -0.178 1.00 1.69 C ATOM 181 CG2 VAL A 13 0.759 11.999 -1.800 1.00 1.27 C ATOM 0 H VAL A 13 0.675 10.156 1.381 1.00 0.63 H new ATOM 0 HA VAL A 13 2.671 11.825 -0.139 1.00 0.80 H new ATOM 0 HB VAL A 13 -0.325 11.889 0.073 1.00 0.82 H new ATOM 0 HG11 VAL A 13 -0.330 14.237 -0.750 1.00 1.69 H new ATOM 0 HG12 VAL A 13 0.392 14.119 0.873 1.00 1.69 H new ATOM 0 HG13 VAL A 13 1.438 14.303 -0.555 1.00 1.69 H new ATOM 0 HG21 VAL A 13 -0.082 12.405 -2.363 1.00 1.27 H new ATOM 0 HG22 VAL A 13 1.687 12.437 -2.168 1.00 1.27 H new ATOM 0 HG23 VAL A 13 0.793 10.917 -1.928 1.00 1.27 H new ATOM 191 N LYS A 14 3.192 12.825 2.074 1.00 1.19 N ATOM 192 CA LYS A 14 3.585 13.658 3.248 1.00 1.42 C ATOM 193 C LYS A 14 4.980 14.178 2.949 1.00 1.67 C ATOM 194 O LYS A 14 5.599 13.735 2.017 1.00 1.73 O ATOM 195 CB LYS A 14 3.586 12.871 4.565 1.00 1.43 C ATOM 196 CG LYS A 14 2.164 12.433 4.926 1.00 1.52 C ATOM 197 CD LYS A 14 2.179 11.787 6.316 1.00 1.56 C ATOM 198 CE LYS A 14 0.783 11.264 6.670 1.00 2.28 C ATOM 199 NZ LYS A 14 0.099 12.246 7.558 1.00 2.43 N ATOM 0 H LYS A 14 3.986 12.470 1.541 1.00 1.19 H new ATOM 0 HA LYS A 14 2.862 14.462 3.386 1.00 1.42 H new ATOM 0 HB2 LYS A 14 4.230 11.997 4.473 1.00 1.43 H new ATOM 0 HB3 LYS A 14 3.997 13.488 5.364 1.00 1.43 H new ATOM 0 HG2 LYS A 14 1.492 13.291 4.917 1.00 1.52 H new ATOM 0 HG3 LYS A 14 1.788 11.726 4.186 1.00 1.52 H new ATOM 0 HD2 LYS A 14 2.898 10.968 6.337 1.00 1.56 H new ATOM 0 HD3 LYS A 14 2.502 12.515 7.060 1.00 1.56 H new ATOM 0 HE2 LYS A 14 0.199 11.109 5.763 1.00 2.28 H new ATOM 0 HE3 LYS A 14 0.860 10.298 7.168 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 -0.773 11.824 7.936 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 0.730 12.501 8.345 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 -0.138 13.100 7.014 1.00 2.43 H new ATOM 213 N GLY A 15 5.507 15.100 3.686 1.00 1.91 N ATOM 214 CA GLY A 15 6.872 15.565 3.326 1.00 2.20 C ATOM 215 C GLY A 15 7.866 14.575 3.937 1.00 2.22 C ATOM 216 O GLY A 15 7.475 13.619 4.573 1.00 2.26 O ATOM 0 H GLY A 15 5.075 15.543 4.497 1.00 1.91 H new ATOM 0 HA2 GLY A 15 6.990 15.609 2.243 1.00 2.20 H new ATOM 0 HA3 GLY A 15 7.048 16.571 3.707 1.00 2.20 H new ATOM 220 N ARG A 16 9.135 14.772 3.729 1.00 2.31 N ATOM 221 CA ARG A 16 10.145 13.813 4.267 1.00 2.37 C ATOM 222 C ARG A 16 9.768 12.354 3.914 1.00 2.28 C ATOM 223 O ARG A 16 8.872 11.766 4.485 1.00 2.27 O ATOM 224 CB ARG A 16 10.217 13.964 5.789 1.00 2.49 C ATOM 225 CG ARG A 16 11.351 13.098 6.342 1.00 2.87 C ATOM 226 CD ARG A 16 11.380 13.215 7.867 1.00 3.02 C ATOM 227 NE ARG A 16 12.557 12.475 8.401 1.00 3.63 N ATOM 228 CZ ARG A 16 13.737 13.033 8.392 1.00 4.15 C ATOM 229 NH1 ARG A 16 13.888 14.235 7.907 1.00 4.18 N ATOM 230 NH2 ARG A 16 14.767 12.387 8.867 1.00 4.93 N ATOM 0 H ARG A 16 9.522 15.559 3.207 1.00 2.31 H new ATOM 0 HA ARG A 16 11.113 14.037 3.818 1.00 2.37 H new ATOM 0 HB2 ARG A 16 10.383 15.009 6.053 1.00 2.49 H new ATOM 0 HB3 ARG A 16 9.269 13.668 6.238 1.00 2.49 H new ATOM 0 HG2 ARG A 16 11.206 12.058 6.048 1.00 2.87 H new ATOM 0 HG3 ARG A 16 12.305 13.418 5.923 1.00 2.87 H new ATOM 0 HD2 ARG A 16 11.433 14.263 8.161 1.00 3.02 H new ATOM 0 HD3 ARG A 16 10.461 12.811 8.291 1.00 3.02 H new ATOM 0 HE ARG A 16 12.441 11.533 8.774 1.00 3.63 H new ATOM 0 HH11 ARG A 16 13.084 14.739 7.534 1.00 4.18 H new ATOM 0 HH12 ARG A 16 14.811 14.670 7.900 1.00 4.18 H new ATOM 0 HH21 ARG A 16 14.649 11.447 9.245 1.00 4.93 H new ATOM 0 HH22 ARG A 16 15.689 12.822 8.860 1.00 4.93 H new ATOM 244 N GLU A 17 10.485 11.770 2.983 1.00 2.28 N ATOM 245 CA GLU A 17 10.237 10.347 2.565 1.00 2.23 C ATOM 246 C GLU A 17 8.734 10.109 2.299 1.00 1.93 C ATOM 247 O GLU A 17 8.128 9.191 2.811 1.00 2.50 O ATOM 248 CB GLU A 17 10.738 9.413 3.679 1.00 2.57 C ATOM 249 CG GLU A 17 10.712 7.946 3.217 1.00 2.68 C ATOM 250 CD GLU A 17 11.118 7.040 4.382 1.00 2.78 C ATOM 251 OE1 GLU A 17 11.369 7.565 5.454 1.00 3.13 O ATOM 252 OE2 GLU A 17 11.169 5.838 4.181 1.00 3.04 O ATOM 0 H GLU A 17 11.248 12.227 2.484 1.00 2.28 H new ATOM 0 HA GLU A 17 10.775 10.141 1.639 1.00 2.23 H new ATOM 0 HB2 GLU A 17 11.753 9.691 3.963 1.00 2.57 H new ATOM 0 HB3 GLU A 17 10.115 9.531 4.566 1.00 2.57 H new ATOM 0 HG2 GLU A 17 9.715 7.681 2.866 1.00 2.68 H new ATOM 0 HG3 GLU A 17 11.393 7.805 2.378 1.00 2.68 H new ATOM 259 N ALA A 18 8.137 10.913 1.464 1.00 1.46 N ATOM 260 CA ALA A 18 6.705 10.743 1.081 1.00 1.34 C ATOM 261 C ALA A 18 6.512 9.472 0.254 1.00 1.18 C ATOM 262 O ALA A 18 5.417 9.078 -0.042 1.00 1.77 O ATOM 263 CB ALA A 18 6.288 11.922 0.204 1.00 1.78 C ATOM 0 H ALA A 18 8.597 11.706 1.017 1.00 1.46 H new ATOM 0 HA ALA A 18 6.110 10.685 1.992 1.00 1.34 H new ATOM 0 HB1 ALA A 18 5.242 11.810 -0.083 1.00 1.78 H new ATOM 0 HB2 ALA A 18 6.414 12.851 0.760 1.00 1.78 H new ATOM 0 HB3 ALA A 18 6.909 11.947 -0.691 1.00 1.78 H new ATOM 269 N GLY A 19 7.563 8.924 -0.242 1.00 1.06 N ATOM 270 CA GLY A 19 7.431 7.780 -1.182 1.00 1.02 C ATOM 271 C GLY A 19 7.502 6.412 -0.520 1.00 0.78 C ATOM 272 O GLY A 19 8.552 5.808 -0.429 1.00 0.90 O ATOM 0 H GLY A 19 8.520 9.214 -0.042 1.00 1.06 H new ATOM 0 HA2 GLY A 19 6.481 7.866 -1.709 1.00 1.02 H new ATOM 0 HA3 GLY A 19 8.219 7.849 -1.932 1.00 1.02 H new ATOM 276 N SER A 20 6.362 5.861 -0.210 1.00 0.62 N ATOM 277 CA SER A 20 6.322 4.456 0.269 1.00 0.54 C ATOM 278 C SER A 20 5.149 3.806 -0.461 1.00 0.48 C ATOM 279 O SER A 20 4.097 4.410 -0.566 1.00 0.53 O ATOM 280 CB SER A 20 6.090 4.422 1.781 1.00 0.71 C ATOM 281 OG SER A 20 7.169 5.075 2.437 1.00 1.36 O ATOM 0 H SER A 20 5.456 6.326 -0.269 1.00 0.62 H new ATOM 0 HA SER A 20 7.258 3.934 0.072 1.00 0.54 H new ATOM 0 HB2 SER A 20 5.149 4.914 2.027 1.00 0.71 H new ATOM 0 HB3 SER A 20 6.011 3.391 2.125 1.00 0.71 H new ATOM 0 HG SER A 20 7.022 5.056 3.406 1.00 1.36 H new ATOM 287 N LYS A 21 5.296 2.625 -1.003 1.00 0.45 N ATOM 288 CA LYS A 21 4.158 2.018 -1.763 1.00 0.44 C ATOM 289 C LYS A 21 3.412 0.984 -0.921 1.00 0.39 C ATOM 290 O LYS A 21 4.011 0.180 -0.234 1.00 0.39 O ATOM 291 CB LYS A 21 4.720 1.355 -3.022 1.00 0.51 C ATOM 292 CG LYS A 21 5.635 0.193 -2.628 1.00 1.45 C ATOM 293 CD LYS A 21 6.292 -0.395 -3.873 1.00 1.74 C ATOM 294 CE LYS A 21 7.372 0.552 -4.393 1.00 2.27 C ATOM 295 NZ LYS A 21 8.673 -0.170 -4.460 1.00 3.16 N ATOM 0 H LYS A 21 6.143 2.059 -0.955 1.00 0.45 H new ATOM 0 HA LYS A 21 3.447 2.802 -2.025 1.00 0.44 H new ATOM 0 HB2 LYS A 21 3.905 0.993 -3.649 1.00 0.51 H new ATOM 0 HB3 LYS A 21 5.275 2.084 -3.612 1.00 0.51 H new ATOM 0 HG2 LYS A 21 6.399 0.540 -1.932 1.00 1.45 H new ATOM 0 HG3 LYS A 21 5.060 -0.576 -2.112 1.00 1.45 H new ATOM 0 HD2 LYS A 21 6.730 -1.365 -3.639 1.00 1.74 H new ATOM 0 HD3 LYS A 21 5.541 -0.562 -4.645 1.00 1.74 H new ATOM 0 HE2 LYS A 21 7.099 0.925 -5.380 1.00 2.27 H new ATOM 0 HE3 LYS A 21 7.458 1.418 -3.737 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 9.415 0.410 -4.019 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 8.594 -1.075 -3.954 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 8.919 -0.350 -5.454 1.00 3.16 H new ATOM 309 N CYS A 22 2.105 1.007 -0.969 1.00 0.39 N ATOM 310 CA CYS A 22 1.309 0.029 -0.173 1.00 0.38 C ATOM 311 C CYS A 22 0.141 -0.528 -0.989 1.00 0.36 C ATOM 312 O CYS A 22 -0.303 0.060 -1.951 1.00 0.39 O ATOM 313 CB CYS A 22 0.728 0.740 1.048 1.00 0.46 C ATOM 314 SG CYS A 22 -0.017 2.318 0.532 1.00 0.78 S ATOM 0 H CYS A 22 1.555 1.662 -1.526 1.00 0.39 H new ATOM 0 HA CYS A 22 1.968 -0.789 0.117 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.022 0.110 1.526 1.00 0.46 H new ATOM 0 HB3 CYS A 22 1.511 0.919 1.785 1.00 0.46 H new ATOM 319 N VAL A 23 -0.365 -1.657 -0.578 1.00 0.34 N ATOM 320 CA VAL A 23 -1.533 -2.281 -1.268 1.00 0.35 C ATOM 321 C VAL A 23 -2.727 -2.188 -0.306 1.00 0.37 C ATOM 322 O VAL A 23 -2.581 -2.410 0.881 1.00 0.39 O ATOM 323 CB VAL A 23 -1.225 -3.749 -1.580 1.00 0.39 C ATOM 324 CG1 VAL A 23 -2.374 -4.361 -2.389 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.068 -3.827 -2.388 1.00 0.41 C ATOM 0 H VAL A 23 -0.013 -2.184 0.221 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.752 -1.772 -2.207 1.00 0.35 H new ATOM 0 HB VAL A 23 -1.112 -4.303 -0.648 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -2.149 -5.405 -2.608 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -3.297 -4.302 -1.812 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -2.494 -3.812 -3.323 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.294 -4.869 -2.614 1.00 0.41 H new ATOM 0 HG22 VAL A 23 -0.050 -3.272 -3.318 1.00 0.41 H new ATOM 0 HG23 VAL A 23 0.885 -3.396 -1.809 1.00 0.41 H new ATOM 335 N ILE A 24 -3.890 -1.822 -0.789 1.00 0.37 N ATOM 336 CA ILE A 24 -5.066 -1.672 0.133 1.00 0.41 C ATOM 337 C ILE A 24 -6.024 -2.848 -0.050 1.00 0.41 C ATOM 338 O ILE A 24 -6.407 -3.175 -1.154 1.00 0.41 O ATOM 339 CB ILE A 24 -5.811 -0.374 -0.220 1.00 0.44 C ATOM 340 CG1 ILE A 24 -4.831 0.799 -0.178 1.00 0.45 C ATOM 341 CG2 ILE A 24 -6.918 -0.116 0.812 1.00 0.48 C ATOM 342 CD1 ILE A 24 -5.509 2.087 -0.669 1.00 0.51 C ATOM 0 H ILE A 24 -4.078 -1.622 -1.771 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.714 -1.645 1.164 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.244 -0.472 -1.215 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.466 0.939 0.839 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -3.964 0.578 -0.800 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.444 0.805 0.559 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.621 -0.949 0.807 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.476 -0.020 1.804 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -4.796 2.911 -0.632 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -5.852 1.950 -1.695 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.361 2.316 -0.029 1.00 0.51 H new ATOM 354 N VAL A 25 -6.479 -3.434 1.037 1.00 0.44 N ATOM 355 CA VAL A 25 -7.483 -4.529 0.899 1.00 0.45 C ATOM 356 C VAL A 25 -8.429 -4.581 2.097 1.00 0.65 C ATOM 357 O VAL A 25 -8.362 -5.493 2.894 1.00 1.30 O ATOM 358 CB VAL A 25 -6.726 -5.852 0.868 1.00 0.65 C ATOM 359 CG1 VAL A 25 -6.199 -6.176 -0.542 1.00 1.10 C ATOM 360 CG2 VAL A 25 -5.544 -5.774 1.839 1.00 0.68 C ATOM 0 H VAL A 25 -6.203 -3.204 1.992 1.00 0.44 H new ATOM 0 HA VAL A 25 -8.064 -4.352 -0.006 1.00 0.45 H new ATOM 0 HB VAL A 25 -7.416 -6.644 1.160 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -5.666 -7.126 -0.522 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -7.036 -6.245 -1.236 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -5.521 -5.387 -0.867 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -4.997 -6.717 1.823 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.879 -4.964 1.539 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -5.913 -5.586 2.847 1.00 0.68 H new ATOM 370 N ASP A 26 -9.381 -3.697 2.158 1.00 0.41 N ATOM 371 CA ASP A 26 -10.423 -3.770 3.225 1.00 0.53 C ATOM 372 C ASP A 26 -11.276 -2.524 3.172 1.00 0.43 C ATOM 373 O ASP A 26 -10.726 -1.427 3.176 1.00 0.45 O ATOM 374 CB ASP A 26 -9.831 -3.814 4.625 1.00 0.76 C ATOM 375 CG ASP A 26 -10.939 -4.119 5.631 1.00 0.99 C ATOM 376 OD1 ASP A 26 -12.042 -4.394 5.197 1.00 1.56 O ATOM 377 OD2 ASP A 26 -10.662 -4.077 6.819 1.00 1.48 O ATOM 0 H ASP A 26 -9.486 -2.917 1.509 1.00 0.41 H new ATOM 0 HA ASP A 26 -10.988 -4.683 3.040 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -9.054 -4.576 4.680 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -9.360 -2.860 4.863 1.00 0.76 H new ATOM 382 N ILE A 27 -12.566 -2.649 3.309 1.00 0.57 N ATOM 383 CA ILE A 27 -13.395 -1.426 3.455 1.00 0.65 C ATOM 384 C ILE A 27 -14.047 -1.578 4.826 1.00 0.63 C ATOM 385 O ILE A 27 -14.841 -2.471 5.039 1.00 0.79 O ATOM 386 CB ILE A 27 -14.462 -1.375 2.355 1.00 0.94 C ATOM 387 CG1 ILE A 27 -13.780 -1.422 0.983 1.00 1.59 C ATOM 388 CG2 ILE A 27 -15.263 -0.080 2.476 1.00 1.36 C ATOM 389 CD1 ILE A 27 -14.838 -1.485 -0.123 1.00 1.80 C ATOM 0 H ILE A 27 -13.075 -3.533 3.326 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.813 -0.508 3.370 1.00 0.65 H new ATOM 0 HB ILE A 27 -15.133 -2.228 2.462 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -13.153 -0.541 0.849 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -13.125 -2.291 0.922 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -16.021 -0.046 1.693 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -15.747 -0.042 3.452 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -14.593 0.773 2.370 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -14.346 -1.518 -1.095 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -15.447 -2.380 0.006 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -15.475 -0.602 -0.068 1.00 1.80 H new ATOM 401 N ILE A 28 -13.716 -0.738 5.761 1.00 0.57 N ATOM 402 CA ILE A 28 -14.308 -0.867 7.121 1.00 0.58 C ATOM 403 C ILE A 28 -15.490 0.066 7.285 1.00 0.66 C ATOM 404 O ILE A 28 -16.638 -0.324 7.209 1.00 0.71 O ATOM 405 CB ILE A 28 -13.199 -0.533 8.119 1.00 0.57 C ATOM 406 CG1 ILE A 28 -12.096 -1.577 7.956 1.00 0.68 C ATOM 407 CG2 ILE A 28 -13.718 -0.530 9.559 1.00 0.61 C ATOM 408 CD1 ILE A 28 -10.905 -1.209 8.829 1.00 0.77 C ATOM 0 H ILE A 28 -13.060 0.034 5.644 1.00 0.57 H new ATOM 0 HA ILE A 28 -14.684 -1.877 7.288 1.00 0.58 H new ATOM 0 HB ILE A 28 -12.818 0.468 7.917 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -12.471 -2.562 8.233 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -11.789 -1.635 6.912 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -12.901 -0.289 10.240 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -14.507 0.215 9.660 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -14.116 -1.515 9.804 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -10.121 -1.957 8.709 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -10.523 -0.232 8.531 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -11.216 -1.174 9.873 1.00 0.77 H new ATOM 420 N ASP A 29 -15.189 1.300 7.528 1.00 1.01 N ATOM 421 CA ASP A 29 -16.236 2.320 7.730 1.00 1.18 C ATOM 422 C ASP A 29 -16.306 3.201 6.499 1.00 1.33 C ATOM 423 O ASP A 29 -15.569 3.040 5.546 1.00 2.10 O ATOM 424 CB ASP A 29 -15.908 3.190 8.930 1.00 1.03 C ATOM 425 CG ASP A 29 -17.141 4.002 9.334 1.00 1.72 C ATOM 426 OD1 ASP A 29 -18.209 3.728 8.811 1.00 2.40 O ATOM 427 OD2 ASP A 29 -17.000 4.877 10.171 1.00 2.26 O ATOM 0 H ASP A 29 -14.234 1.653 7.597 1.00 1.01 H new ATOM 0 HA ASP A 29 -17.188 1.818 7.902 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -15.582 2.568 9.763 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -15.082 3.860 8.690 1.00 1.03 H new ATOM 432 N ASP A 30 -17.194 4.127 6.527 1.00 1.29 N ATOM 433 CA ASP A 30 -17.325 5.025 5.367 1.00 1.39 C ATOM 434 C ASP A 30 -15.956 5.662 5.076 1.00 1.13 C ATOM 435 O ASP A 30 -15.610 5.852 3.927 1.00 1.20 O ATOM 436 CB ASP A 30 -18.342 6.123 5.679 1.00 1.64 C ATOM 437 CG ASP A 30 -19.740 5.517 5.790 1.00 1.90 C ATOM 438 OD1 ASP A 30 -19.897 4.365 5.422 1.00 2.09 O ATOM 439 OD2 ASP A 30 -20.631 6.218 6.240 1.00 2.55 O ATOM 0 H ASP A 30 -17.836 4.305 7.299 1.00 1.29 H new ATOM 0 HA ASP A 30 -17.665 4.460 4.499 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -18.077 6.623 6.611 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -18.325 6.880 4.895 1.00 1.64 H new ATOM 444 N ASN A 31 -15.183 6.020 6.093 1.00 0.91 N ATOM 445 CA ASN A 31 -13.858 6.673 5.814 1.00 0.77 C ATOM 446 C ASN A 31 -12.600 5.833 6.185 1.00 0.58 C ATOM 447 O ASN A 31 -11.506 6.355 6.057 1.00 0.53 O ATOM 448 CB ASN A 31 -13.800 7.991 6.588 1.00 0.86 C ATOM 449 CG ASN A 31 -13.566 7.698 8.069 1.00 1.29 C ATOM 450 OD1 ASN A 31 -13.748 6.584 8.512 1.00 2.10 O ATOM 451 ND2 ASN A 31 -13.161 8.657 8.855 1.00 1.60 N ATOM 0 H ASN A 31 -15.411 5.890 7.079 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.816 6.803 4.733 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -12.999 8.619 6.199 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -14.730 8.544 6.458 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -12.997 8.471 9.844 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -13.008 9.593 8.480 1.00 1.60 H new ATOM 458 N PHE A 32 -12.700 4.576 6.621 1.00 0.56 N ATOM 459 CA PHE A 32 -11.438 3.786 6.965 1.00 0.45 C ATOM 460 C PHE A 32 -11.165 2.606 6.013 1.00 0.45 C ATOM 461 O PHE A 32 -12.051 1.873 5.624 1.00 0.52 O ATOM 462 CB PHE A 32 -11.469 3.270 8.419 1.00 0.48 C ATOM 463 CG PHE A 32 -11.388 4.431 9.392 1.00 0.54 C ATOM 464 CD1 PHE A 32 -10.148 5.034 9.635 1.00 1.09 C ATOM 465 CD2 PHE A 32 -12.523 4.887 10.070 1.00 1.52 C ATOM 466 CE1 PHE A 32 -10.047 6.096 10.543 1.00 1.13 C ATOM 467 CE2 PHE A 32 -12.423 5.950 10.977 1.00 1.60 C ATOM 468 CZ PHE A 32 -11.185 6.554 11.212 1.00 0.80 C ATOM 0 H PHE A 32 -13.577 4.072 6.751 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.622 4.498 6.844 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -12.385 2.705 8.592 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -10.636 2.587 8.587 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -9.267 4.679 9.121 1.00 1.09 H new ATOM 0 HD2 PHE A 32 -13.480 4.418 9.894 1.00 1.52 H new ATOM 0 HE1 PHE A 32 -9.089 6.561 10.726 1.00 1.13 H new ATOM 0 HE2 PHE A 32 -13.303 6.303 11.495 1.00 1.60 H new ATOM 0 HZ PHE A 32 -11.108 7.374 11.910 1.00 0.80 H new ATOM 478 N VAL A 33 -9.905 2.433 5.662 1.00 0.40 N ATOM 479 CA VAL A 33 -9.471 1.313 4.754 1.00 0.42 C ATOM 480 C VAL A 33 -8.263 0.569 5.375 1.00 0.39 C ATOM 481 O VAL A 33 -7.574 1.116 6.210 1.00 0.36 O ATOM 482 CB VAL A 33 -9.084 1.879 3.386 1.00 0.44 C ATOM 483 CG1 VAL A 33 -10.273 2.637 2.794 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.899 2.837 3.544 1.00 0.42 C ATOM 0 H VAL A 33 -9.143 3.035 5.975 1.00 0.40 H new ATOM 0 HA VAL A 33 -10.296 0.611 4.632 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.804 1.061 2.722 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.998 3.041 1.819 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.118 1.957 2.680 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.552 3.454 3.460 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.624 3.240 2.569 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -8.178 3.655 4.209 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -7.050 2.299 3.967 1.00 0.42 H new ATOM 494 N LEU A 34 -7.959 -0.638 4.914 1.00 0.43 N ATOM 495 CA LEU A 34 -6.730 -1.353 5.445 1.00 0.44 C ATOM 496 C LEU A 34 -5.591 -1.195 4.434 1.00 0.43 C ATOM 497 O LEU A 34 -5.796 -1.361 3.248 1.00 0.47 O ATOM 498 CB LEU A 34 -6.997 -2.845 5.707 1.00 0.55 C ATOM 499 CG LEU A 34 -5.816 -3.496 6.453 1.00 0.62 C ATOM 500 CD1 LEU A 34 -6.346 -4.661 7.290 1.00 0.93 C ATOM 501 CD2 LEU A 34 -4.771 -4.050 5.466 1.00 0.73 C ATOM 0 H LEU A 34 -8.493 -1.148 4.211 1.00 0.43 H new ATOM 0 HA LEU A 34 -6.458 -0.903 6.400 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -7.909 -2.957 6.294 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -7.162 -3.360 4.761 1.00 0.55 H new ATOM 0 HG LEU A 34 -5.345 -2.738 7.079 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -5.520 -5.131 7.824 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -7.077 -4.290 8.008 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -6.819 -5.393 6.636 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -3.950 -4.503 6.022 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -5.236 -4.802 4.828 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -4.387 -3.238 4.849 1.00 0.73 H new ATOM 513 N VAL A 35 -4.389 -0.890 4.889 1.00 0.42 N ATOM 514 CA VAL A 35 -3.248 -0.742 3.927 1.00 0.43 C ATOM 515 C VAL A 35 -2.073 -1.626 4.348 1.00 0.44 C ATOM 516 O VAL A 35 -1.858 -1.891 5.513 1.00 0.46 O ATOM 517 CB VAL A 35 -2.803 0.731 3.868 1.00 0.47 C ATOM 518 CG1 VAL A 35 -3.996 1.589 3.457 1.00 0.46 C ATOM 519 CG2 VAL A 35 -2.296 1.223 5.233 1.00 0.52 C ATOM 0 H VAL A 35 -4.156 -0.740 5.871 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.582 -1.057 2.938 1.00 0.43 H new ATOM 0 HB VAL A 35 -1.990 0.812 3.147 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.693 2.635 3.412 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.352 1.271 2.477 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -4.796 1.474 4.188 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -1.991 2.266 5.153 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -3.093 1.134 5.971 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -1.444 0.618 5.544 1.00 0.52 H new ATOM 529 N THR A 36 -1.303 -2.067 3.391 1.00 0.45 N ATOM 530 CA THR A 36 -0.123 -2.910 3.725 1.00 0.48 C ATOM 531 C THR A 36 1.037 -2.678 2.761 1.00 0.48 C ATOM 532 O THR A 36 0.849 -2.358 1.605 1.00 0.48 O ATOM 533 CB THR A 36 -0.547 -4.374 3.687 1.00 0.56 C ATOM 534 OG1 THR A 36 0.446 -5.175 4.313 1.00 0.63 O ATOM 535 CG2 THR A 36 -0.748 -4.809 2.235 1.00 0.60 C ATOM 0 H THR A 36 -1.440 -1.881 2.398 1.00 0.45 H new ATOM 0 HA THR A 36 0.228 -2.637 4.720 1.00 0.48 H new ATOM 0 HB THR A 36 -1.487 -4.499 4.225 1.00 0.56 H new ATOM 0 HG1 THR A 36 0.452 -6.066 3.906 1.00 0.63 H new ATOM 0 HG21 THR A 36 -1.051 -5.856 2.207 1.00 0.60 H new ATOM 0 HG22 THR A 36 -1.522 -4.195 1.775 1.00 0.60 H new ATOM 0 HG23 THR A 36 0.186 -4.687 1.686 1.00 0.60 H new ATOM 543 N GLY A 37 2.236 -2.904 3.216 1.00 0.52 N ATOM 544 CA GLY A 37 3.414 -2.773 2.320 1.00 0.55 C ATOM 545 C GLY A 37 4.535 -3.616 2.909 1.00 0.70 C ATOM 546 O GLY A 37 4.513 -3.922 4.085 1.00 0.84 O ATOM 0 H GLY A 37 2.451 -3.175 4.176 1.00 0.52 H new ATOM 0 HA2 GLY A 37 3.169 -3.111 1.313 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.720 -1.730 2.240 1.00 0.55 H new ATOM 550 N PRO A 38 5.517 -3.993 2.140 1.00 0.74 N ATOM 551 CA PRO A 38 6.623 -4.804 2.689 1.00 0.93 C ATOM 552 C PRO A 38 7.390 -4.019 3.745 1.00 0.99 C ATOM 553 O PRO A 38 8.121 -3.095 3.445 1.00 0.94 O ATOM 554 CB PRO A 38 7.506 -5.116 1.479 1.00 0.94 C ATOM 555 CG PRO A 38 7.122 -4.128 0.428 1.00 0.82 C ATOM 556 CD PRO A 38 5.687 -3.693 0.719 1.00 0.69 C ATOM 0 HA PRO A 38 6.273 -5.710 3.183 1.00 0.93 H new ATOM 0 HB2 PRO A 38 8.562 -5.026 1.733 1.00 0.94 H new ATOM 0 HB3 PRO A 38 7.347 -6.137 1.132 1.00 0.94 H new ATOM 0 HG2 PRO A 38 7.794 -3.270 0.442 1.00 0.82 H new ATOM 0 HG3 PRO A 38 7.195 -4.574 -0.564 1.00 0.82 H new ATOM 0 HD2 PRO A 38 5.540 -2.633 0.513 1.00 0.69 H new ATOM 0 HD3 PRO A 38 4.970 -4.239 0.106 1.00 0.69 H new ATOM 564 N LYS A 39 7.232 -4.387 4.981 1.00 1.20 N ATOM 565 CA LYS A 39 7.951 -3.674 6.063 1.00 1.37 C ATOM 566 C LYS A 39 9.459 -3.755 5.817 1.00 1.39 C ATOM 567 O LYS A 39 10.202 -2.832 6.061 1.00 1.45 O ATOM 568 CB LYS A 39 7.613 -4.349 7.394 1.00 1.66 C ATOM 569 CG LYS A 39 8.163 -3.524 8.559 1.00 2.17 C ATOM 570 CD LYS A 39 8.080 -4.353 9.845 1.00 2.45 C ATOM 571 CE LYS A 39 6.614 -4.600 10.221 1.00 3.15 C ATOM 572 NZ LYS A 39 6.224 -5.976 9.805 1.00 3.44 N ATOM 0 H LYS A 39 6.634 -5.154 5.289 1.00 1.20 H new ATOM 0 HA LYS A 39 7.651 -2.626 6.086 1.00 1.37 H new ATOM 0 HB2 LYS A 39 6.533 -4.455 7.492 1.00 1.66 H new ATOM 0 HB3 LYS A 39 8.036 -5.353 7.419 1.00 1.66 H new ATOM 0 HG2 LYS A 39 9.196 -3.238 8.362 1.00 2.17 H new ATOM 0 HG3 LYS A 39 7.592 -2.602 8.669 1.00 2.17 H new ATOM 0 HD2 LYS A 39 8.593 -5.305 9.707 1.00 2.45 H new ATOM 0 HD3 LYS A 39 8.588 -3.832 10.656 1.00 2.45 H new ATOM 0 HE2 LYS A 39 6.477 -4.480 11.296 1.00 3.15 H new ATOM 0 HE3 LYS A 39 5.973 -3.865 9.734 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 5.260 -5.961 9.415 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 6.885 -6.320 9.080 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 6.254 -6.609 10.629 1.00 3.44 H new ATOM 586 N ASP A 40 9.909 -4.884 5.365 1.00 1.42 N ATOM 587 CA ASP A 40 11.366 -5.071 5.123 1.00 1.48 C ATOM 588 C ASP A 40 11.901 -4.124 4.045 1.00 1.35 C ATOM 589 O ASP A 40 13.016 -3.649 4.137 1.00 1.42 O ATOM 590 CB ASP A 40 11.623 -6.517 4.696 1.00 1.59 C ATOM 591 CG ASP A 40 11.312 -7.455 5.863 1.00 1.79 C ATOM 592 OD1 ASP A 40 11.159 -6.963 6.969 1.00 2.27 O ATOM 593 OD2 ASP A 40 11.232 -8.650 5.631 1.00 2.01 O ATOM 0 H ASP A 40 9.328 -5.695 5.150 1.00 1.42 H new ATOM 0 HA ASP A 40 11.888 -4.843 6.052 1.00 1.48 H new ATOM 0 HB2 ASP A 40 11.002 -6.770 3.837 1.00 1.59 H new ATOM 0 HB3 ASP A 40 12.661 -6.637 4.385 1.00 1.59 H new ATOM 598 N ILE A 41 11.149 -3.887 2.997 1.00 1.20 N ATOM 599 CA ILE A 41 11.678 -3.020 1.900 1.00 1.13 C ATOM 600 C ILE A 41 11.235 -1.566 2.011 1.00 1.03 C ATOM 601 O ILE A 41 12.001 -0.698 2.380 1.00 1.27 O ATOM 602 CB ILE A 41 11.175 -3.561 0.572 1.00 1.10 C ATOM 603 CG1 ILE A 41 11.487 -5.066 0.465 1.00 1.29 C ATOM 604 CG2 ILE A 41 11.852 -2.782 -0.563 1.00 1.11 C ATOM 605 CD1 ILE A 41 12.961 -5.343 0.779 1.00 2.05 C ATOM 0 H ILE A 41 10.207 -4.250 2.855 1.00 1.20 H new ATOM 0 HA ILE A 41 12.765 -3.040 1.975 1.00 1.13 H new ATOM 0 HB ILE A 41 10.095 -3.436 0.500 1.00 1.10 H new ATOM 0 HG12 ILE A 41 10.853 -5.623 1.155 1.00 1.29 H new ATOM 0 HG13 ILE A 41 11.252 -5.420 -0.539 1.00 1.29 H new ATOM 0 HG21 ILE A 41 11.501 -3.159 -1.523 1.00 1.11 H new ATOM 0 HG22 ILE A 41 11.604 -1.724 -0.476 1.00 1.11 H new ATOM 0 HG23 ILE A 41 12.933 -2.908 -0.497 1.00 1.11 H new ATOM 0 HD11 ILE A 41 13.156 -6.412 0.697 1.00 2.05 H new ATOM 0 HD12 ILE A 41 13.591 -4.804 0.072 1.00 2.05 H new ATOM 0 HD13 ILE A 41 13.186 -5.010 1.792 1.00 2.05 H new ATOM 617 N THR A 42 10.023 -1.282 1.618 1.00 0.78 N ATOM 618 CA THR A 42 9.523 0.106 1.603 1.00 0.75 C ATOM 619 C THR A 42 9.512 0.636 3.037 1.00 0.90 C ATOM 620 O THR A 42 9.746 1.800 3.295 1.00 1.07 O ATOM 621 CB THR A 42 8.120 0.063 0.995 1.00 0.56 C ATOM 622 OG1 THR A 42 8.186 -0.642 -0.239 1.00 1.03 O ATOM 623 CG2 THR A 42 7.631 1.473 0.692 1.00 1.10 C ATOM 0 H THR A 42 9.348 -1.978 1.300 1.00 0.78 H new ATOM 0 HA THR A 42 10.151 0.773 1.012 1.00 0.75 H new ATOM 0 HB THR A 42 7.443 -0.420 1.700 1.00 0.56 H new ATOM 0 HG1 THR A 42 7.291 -0.959 -0.483 1.00 1.03 H new ATOM 0 HG21 THR A 42 6.631 1.426 0.260 1.00 1.10 H new ATOM 0 HG22 THR A 42 7.601 2.054 1.614 1.00 1.10 H new ATOM 0 HG23 THR A 42 8.310 1.950 -0.015 1.00 1.10 H new ATOM 631 N GLY A 43 9.262 -0.241 3.964 1.00 0.93 N ATOM 632 CA GLY A 43 9.249 0.136 5.404 1.00 1.12 C ATOM 633 C GLY A 43 7.826 0.269 5.932 1.00 0.97 C ATOM 634 O GLY A 43 7.626 0.351 7.128 1.00 1.10 O ATOM 0 H GLY A 43 9.062 -1.224 3.782 1.00 0.93 H new ATOM 0 HA2 GLY A 43 9.785 -0.616 5.983 1.00 1.12 H new ATOM 0 HA3 GLY A 43 9.778 1.079 5.539 1.00 1.12 H new ATOM 638 N VAL A 44 6.827 0.312 5.097 1.00 0.78 N ATOM 639 CA VAL A 44 5.446 0.463 5.630 1.00 0.70 C ATOM 640 C VAL A 44 5.040 -0.794 6.377 1.00 0.72 C ATOM 641 O VAL A 44 5.437 -1.895 6.060 1.00 0.80 O ATOM 642 CB VAL A 44 4.465 0.759 4.499 1.00 0.61 C ATOM 643 CG1 VAL A 44 4.222 2.266 4.420 1.00 0.79 C ATOM 644 CG2 VAL A 44 5.077 0.299 3.197 1.00 1.06 C ATOM 0 H VAL A 44 6.904 0.250 4.082 1.00 0.78 H new ATOM 0 HA VAL A 44 5.426 1.304 6.324 1.00 0.70 H new ATOM 0 HB VAL A 44 3.523 0.242 4.682 1.00 0.61 H new ATOM 0 HG11 VAL A 44 3.522 2.480 3.613 1.00 0.79 H new ATOM 0 HG12 VAL A 44 3.806 2.617 5.364 1.00 0.79 H new ATOM 0 HG13 VAL A 44 5.165 2.777 4.227 1.00 0.79 H new ATOM 0 HG21 VAL A 44 4.387 0.504 2.378 1.00 1.06 H new ATOM 0 HG22 VAL A 44 6.012 0.833 3.026 1.00 1.06 H new ATOM 0 HG23 VAL A 44 5.274 -0.772 3.246 1.00 1.06 H new ATOM 654 N LYS A 45 4.227 -0.614 7.358 1.00 0.80 N ATOM 655 CA LYS A 45 3.745 -1.760 8.151 1.00 0.91 C ATOM 656 C LYS A 45 2.433 -2.227 7.532 1.00 0.78 C ATOM 657 O LYS A 45 2.270 -2.320 6.325 1.00 0.83 O ATOM 658 CB LYS A 45 3.512 -1.304 9.596 1.00 1.14 C ATOM 659 CG LYS A 45 4.836 -0.834 10.205 1.00 1.87 C ATOM 660 CD LYS A 45 4.626 -0.486 11.682 1.00 2.04 C ATOM 661 CE LYS A 45 5.910 0.114 12.264 1.00 2.84 C ATOM 662 NZ LYS A 45 7.007 0.040 11.256 1.00 3.49 N ATOM 0 H LYS A 45 3.868 0.294 7.652 1.00 0.80 H new ATOM 0 HA LYS A 45 4.471 -2.573 8.152 1.00 0.91 H new ATOM 0 HB2 LYS A 45 2.782 -0.495 9.620 1.00 1.14 H new ATOM 0 HB3 LYS A 45 3.100 -2.123 10.185 1.00 1.14 H new ATOM 0 HG2 LYS A 45 5.590 -1.615 10.108 1.00 1.87 H new ATOM 0 HG3 LYS A 45 5.208 0.037 9.665 1.00 1.87 H new ATOM 0 HD2 LYS A 45 3.804 0.223 11.784 1.00 2.04 H new ATOM 0 HD3 LYS A 45 4.347 -1.380 12.239 1.00 2.04 H new ATOM 0 HE2 LYS A 45 5.739 1.151 12.553 1.00 2.84 H new ATOM 0 HE3 LYS A 45 6.197 -0.425 13.167 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 7.895 0.370 11.685 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 7.121 -0.944 10.938 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 6.771 0.642 10.441 1.00 3.49 H new ATOM 676 N ARG A 46 1.478 -2.393 8.373 1.00 0.67 N ATOM 677 CA ARG A 46 0.099 -2.709 7.949 1.00 0.59 C ATOM 678 C ARG A 46 -0.762 -1.887 8.870 1.00 0.54 C ATOM 679 O ARG A 46 -0.660 -2.032 10.072 1.00 0.59 O ATOM 680 CB ARG A 46 -0.223 -4.176 8.189 1.00 0.62 C ATOM 681 CG ARG A 46 -1.624 -4.472 7.649 1.00 0.62 C ATOM 682 CD ARG A 46 -1.988 -5.907 7.992 1.00 0.73 C ATOM 683 NE ARG A 46 -3.282 -6.268 7.349 1.00 1.39 N ATOM 684 CZ ARG A 46 -3.907 -7.359 7.703 1.00 1.89 C ATOM 685 NH1 ARG A 46 -3.402 -8.136 8.623 1.00 2.10 N ATOM 686 NH2 ARG A 46 -5.039 -7.674 7.135 1.00 2.78 N ATOM 0 H ARG A 46 1.597 -2.320 9.383 1.00 0.67 H new ATOM 0 HA ARG A 46 -0.051 -2.504 6.889 1.00 0.59 H new ATOM 0 HB2 ARG A 46 0.513 -4.809 7.694 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -0.174 -4.403 9.254 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -2.349 -3.784 8.084 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -1.652 -4.323 6.570 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -1.202 -6.582 7.653 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -2.064 -6.024 9.073 1.00 0.73 H new ATOM 0 HE ARG A 46 -3.681 -5.663 6.631 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -2.517 -7.892 9.067 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -3.893 -8.987 8.897 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -5.435 -7.069 6.416 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -5.528 -8.526 7.410 1.00 2.78 H new ATOM 700 N ARG A 47 -1.597 -1.031 8.392 1.00 0.50 N ATOM 701 CA ARG A 47 -2.399 -0.261 9.349 1.00 0.51 C ATOM 702 C ARG A 47 -3.645 0.309 8.670 1.00 0.43 C ATOM 703 O ARG A 47 -3.750 0.339 7.460 1.00 0.40 O ATOM 704 CB ARG A 47 -1.517 0.827 9.968 1.00 0.65 C ATOM 705 CG ARG A 47 -1.061 1.814 8.890 1.00 0.69 C ATOM 706 CD ARG A 47 0.019 2.732 9.469 1.00 0.88 C ATOM 707 NE ARG A 47 0.372 3.779 8.468 1.00 1.51 N ATOM 708 CZ ARG A 47 -0.263 4.924 8.455 1.00 2.07 C ATOM 709 NH1 ARG A 47 -1.235 5.152 9.297 1.00 2.26 N ATOM 710 NH2 ARG A 47 0.071 5.842 7.589 1.00 3.10 N ATOM 0 H ARG A 47 -1.757 -0.834 7.404 1.00 0.50 H new ATOM 0 HA ARG A 47 -2.756 -0.908 10.151 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.070 1.355 10.745 1.00 0.65 H new ATOM 0 HB3 ARG A 47 -0.649 0.373 10.447 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.671 1.274 8.027 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.907 2.405 8.540 1.00 0.69 H new ATOM 0 HD2 ARG A 47 -0.339 3.198 10.387 1.00 0.88 H new ATOM 0 HD3 ARG A 47 0.903 2.151 9.730 1.00 0.88 H new ATOM 0 HE ARG A 47 1.113 3.602 7.789 1.00 1.51 H new ATOM 0 HH11 ARG A 47 -1.504 4.435 9.971 1.00 2.26 H new ATOM 0 HH12 ARG A 47 -1.725 6.047 9.280 1.00 2.26 H new ATOM 0 HH21 ARG A 47 0.825 5.666 6.925 1.00 3.10 H new ATOM 0 HH22 ARG A 47 -0.422 6.735 7.577 1.00 3.10 H new ATOM 724 N ARG A 48 -4.585 0.768 9.440 1.00 0.46 N ATOM 725 CA ARG A 48 -5.822 1.350 8.850 1.00 0.40 C ATOM 726 C ARG A 48 -5.634 2.864 8.710 1.00 0.40 C ATOM 727 O ARG A 48 -5.111 3.493 9.609 1.00 0.49 O ATOM 728 CB ARG A 48 -6.954 1.084 9.839 1.00 0.44 C ATOM 729 CG ARG A 48 -7.200 -0.420 9.958 1.00 1.30 C ATOM 730 CD ARG A 48 -8.366 -0.656 10.916 1.00 1.32 C ATOM 731 NE ARG A 48 -8.028 -0.061 12.239 1.00 1.71 N ATOM 732 CZ ARG A 48 -8.972 0.258 13.078 1.00 2.17 C ATOM 733 NH1 ARG A 48 -10.222 0.061 12.761 1.00 2.17 N ATOM 734 NH2 ARG A 48 -8.664 0.777 14.236 1.00 3.00 N ATOM 0 H ARG A 48 -4.552 0.766 10.459 1.00 0.46 H new ATOM 0 HA ARG A 48 -6.039 0.916 7.874 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -6.700 1.498 10.815 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -7.863 1.585 9.507 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -7.425 -0.844 8.979 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -6.304 -0.921 10.324 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -9.276 -0.205 10.521 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -8.559 -1.724 11.020 1.00 1.32 H new ATOM 0 HE ARG A 48 -7.052 0.098 12.489 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -10.461 -0.343 11.855 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -10.960 0.311 13.419 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -7.686 0.932 14.482 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -9.401 1.028 14.895 1.00 3.00 H new ATOM 748 N VAL A 49 -6.072 3.471 7.621 1.00 0.35 N ATOM 749 CA VAL A 49 -5.922 4.958 7.502 1.00 0.41 C ATOM 750 C VAL A 49 -7.240 5.590 7.053 1.00 0.38 C ATOM 751 O VAL A 49 -8.066 4.968 6.407 1.00 0.37 O ATOM 752 CB VAL A 49 -4.814 5.326 6.507 1.00 0.50 C ATOM 753 CG1 VAL A 49 -3.518 4.622 6.901 1.00 1.63 C ATOM 754 CG2 VAL A 49 -5.211 4.928 5.085 1.00 1.04 C ATOM 0 H VAL A 49 -6.517 3.008 6.828 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.649 5.343 8.484 1.00 0.41 H new ATOM 0 HB VAL A 49 -4.665 6.405 6.533 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -2.732 4.884 6.193 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -3.224 4.935 7.903 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -3.672 3.543 6.889 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -4.411 5.198 4.395 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -5.380 3.852 5.042 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -6.125 5.450 4.803 1.00 1.04 H new ATOM 764 N ASN A 50 -7.429 6.826 7.410 1.00 0.39 N ATOM 765 CA ASN A 50 -8.675 7.552 7.039 1.00 0.42 C ATOM 766 C ASN A 50 -8.562 8.197 5.645 1.00 0.42 C ATOM 767 O ASN A 50 -7.496 8.313 5.075 1.00 0.39 O ATOM 768 CB ASN A 50 -8.943 8.642 8.079 1.00 0.48 C ATOM 769 CG ASN A 50 -7.836 9.697 8.015 1.00 1.38 C ATOM 770 OD1 ASN A 50 -7.871 10.674 8.736 1.00 2.28 O ATOM 771 ND2 ASN A 50 -6.843 9.534 7.183 1.00 1.90 N ATOM 0 H ASN A 50 -6.762 7.375 7.953 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.495 6.834 7.013 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -9.912 9.105 7.893 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -8.985 8.204 9.076 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -6.096 10.227 7.138 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -6.814 8.713 6.578 1.00 1.90 H new ATOM 778 N ILE A 51 -9.678 8.640 5.126 1.00 0.51 N ATOM 779 CA ILE A 51 -9.714 9.325 3.787 1.00 0.56 C ATOM 780 C ILE A 51 -8.804 10.554 3.797 1.00 0.57 C ATOM 781 O ILE A 51 -8.335 11.000 2.767 1.00 0.59 O ATOM 782 CB ILE A 51 -11.134 9.769 3.448 1.00 0.73 C ATOM 783 CG1 ILE A 51 -12.025 8.533 3.348 1.00 0.81 C ATOM 784 CG2 ILE A 51 -11.119 10.517 2.112 1.00 0.81 C ATOM 785 CD1 ILE A 51 -13.495 8.948 3.185 1.00 1.41 C ATOM 0 H ILE A 51 -10.588 8.556 5.580 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.367 8.614 3.037 1.00 0.56 H new ATOM 0 HB ILE A 51 -11.520 10.431 4.223 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -11.716 7.921 2.500 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -11.910 7.920 4.242 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -12.131 10.837 1.863 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -10.471 11.390 2.191 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -10.745 9.857 1.330 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -14.119 8.057 3.115 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -13.804 9.540 4.046 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -13.607 9.542 2.278 1.00 1.41 H new ATOM 797 N LEU A 52 -8.559 11.115 4.945 1.00 0.61 N ATOM 798 CA LEU A 52 -7.694 12.325 5.023 1.00 0.70 C ATOM 799 C LEU A 52 -6.357 11.999 4.362 1.00 0.64 C ATOM 800 O LEU A 52 -5.752 12.847 3.736 1.00 0.75 O ATOM 801 CB LEU A 52 -7.455 12.711 6.487 1.00 0.76 C ATOM 802 CG LEU A 52 -8.790 12.946 7.201 1.00 0.85 C ATOM 803 CD1 LEU A 52 -8.520 13.433 8.626 1.00 1.25 C ATOM 804 CD2 LEU A 52 -9.599 14.010 6.455 1.00 1.08 C ATOM 0 H LEU A 52 -8.922 10.786 5.840 1.00 0.61 H new ATOM 0 HA LEU A 52 -8.180 13.159 4.517 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -6.899 11.921 6.992 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -6.845 13.613 6.537 1.00 0.76 H new ATOM 0 HG LEU A 52 -9.353 12.013 7.225 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -9.467 13.602 9.138 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -7.945 12.680 9.165 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -7.955 14.365 8.591 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -10.547 14.172 6.968 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -9.036 14.943 6.429 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -9.791 13.673 5.436 1.00 1.08 H new ATOM 816 N HIS A 53 -5.934 10.762 4.426 1.00 0.52 N ATOM 817 CA HIS A 53 -4.682 10.375 3.714 1.00 0.55 C ATOM 818 C HIS A 53 -5.061 9.361 2.636 1.00 0.45 C ATOM 819 O HIS A 53 -5.031 8.167 2.861 1.00 0.50 O ATOM 820 CB HIS A 53 -3.730 9.713 4.713 1.00 0.70 C ATOM 821 CG HIS A 53 -3.388 10.688 5.805 1.00 0.84 C ATOM 822 ND1 HIS A 53 -2.594 11.806 5.581 1.00 1.50 N ATOM 823 CD2 HIS A 53 -3.728 10.730 7.136 1.00 1.35 C ATOM 824 CE1 HIS A 53 -2.485 12.466 6.750 1.00 1.35 C ATOM 825 NE2 HIS A 53 -3.156 11.851 7.725 1.00 1.20 N ATOM 0 H HIS A 53 -6.398 10.010 4.936 1.00 0.52 H new ATOM 0 HA HIS A 53 -4.198 11.246 3.272 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -4.194 8.823 5.138 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -2.822 9.387 4.205 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -4.344 10.004 7.645 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -1.924 13.380 6.882 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -3.233 12.143 8.699 1.00 1.20 H new ATOM 834 N LEU A 54 -5.401 9.831 1.465 1.00 0.42 N ATOM 835 CA LEU A 54 -5.766 8.920 0.350 1.00 0.43 C ATOM 836 C LEU A 54 -4.796 9.123 -0.802 1.00 0.36 C ATOM 837 O LEU A 54 -4.601 10.224 -1.277 1.00 0.39 O ATOM 838 CB LEU A 54 -7.192 9.247 -0.096 1.00 0.59 C ATOM 839 CG LEU A 54 -7.675 8.224 -1.126 1.00 0.92 C ATOM 840 CD1 LEU A 54 -7.979 6.887 -0.441 1.00 1.56 C ATOM 841 CD2 LEU A 54 -8.944 8.756 -1.789 1.00 1.29 C ATOM 0 H LEU A 54 -5.441 10.824 1.234 1.00 0.42 H new ATOM 0 HA LEU A 54 -5.714 7.880 0.674 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.859 9.247 0.766 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.225 10.248 -0.525 1.00 0.59 H new ATOM 0 HG LEU A 54 -6.898 8.066 -1.874 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -8.322 6.167 -1.184 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -7.076 6.511 0.039 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -8.756 7.031 0.310 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -9.299 8.036 -2.526 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.713 8.909 -1.032 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -8.727 9.703 -2.283 1.00 1.29 H new ATOM 853 N GLU A 55 -4.248 8.068 -1.298 1.00 0.39 N ATOM 854 CA GLU A 55 -3.356 8.162 -2.469 1.00 0.38 C ATOM 855 C GLU A 55 -3.625 6.928 -3.312 1.00 0.43 C ATOM 856 O GLU A 55 -3.026 5.903 -3.082 1.00 0.50 O ATOM 857 CB GLU A 55 -1.925 8.158 -2.001 1.00 0.44 C ATOM 858 CG GLU A 55 -1.336 9.558 -2.146 1.00 0.85 C ATOM 859 CD GLU A 55 -1.035 9.832 -3.622 1.00 1.55 C ATOM 860 OE1 GLU A 55 -1.947 10.225 -4.329 1.00 2.20 O ATOM 861 OE2 GLU A 55 0.105 9.647 -4.017 1.00 2.28 O ATOM 0 H GLU A 55 -4.382 7.124 -0.936 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.531 9.074 -3.039 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.873 7.836 -0.961 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.343 7.445 -2.585 1.00 0.44 H new ATOM 0 HG2 GLU A 55 -2.036 10.300 -1.762 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -0.424 9.644 -1.555 1.00 0.85 H new ATOM 868 N PRO A 56 -4.537 6.982 -4.236 1.00 0.46 N ATOM 869 CA PRO A 56 -4.886 5.800 -5.046 1.00 0.52 C ATOM 870 C PRO A 56 -4.073 5.654 -6.325 1.00 0.50 C ATOM 871 O PRO A 56 -3.634 6.619 -6.920 1.00 0.53 O ATOM 872 CB PRO A 56 -6.351 6.054 -5.389 1.00 0.66 C ATOM 873 CG PRO A 56 -6.499 7.546 -5.433 1.00 0.69 C ATOM 874 CD PRO A 56 -5.343 8.147 -4.627 1.00 0.56 C ATOM 0 HA PRO A 56 -4.686 4.878 -4.501 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -6.613 5.605 -6.347 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -7.011 5.616 -4.640 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.475 7.903 -6.462 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.458 7.849 -5.012 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -4.763 8.851 -5.225 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -5.705 8.692 -3.755 1.00 0.56 H new ATOM 882 N THR A 57 -3.943 4.440 -6.773 1.00 0.56 N ATOM 883 CA THR A 57 -3.243 4.153 -8.046 1.00 0.63 C ATOM 884 C THR A 57 -4.308 3.665 -9.020 1.00 0.66 C ATOM 885 O THR A 57 -5.432 3.415 -8.640 1.00 0.71 O ATOM 886 CB THR A 57 -2.134 3.116 -7.856 1.00 0.78 C ATOM 887 OG1 THR A 57 -2.694 1.881 -7.433 1.00 0.88 O ATOM 888 CG2 THR A 57 -1.112 3.638 -6.840 1.00 0.78 C ATOM 0 H THR A 57 -4.304 3.614 -6.295 1.00 0.56 H new ATOM 0 HA THR A 57 -2.747 5.045 -8.428 1.00 0.63 H new ATOM 0 HB THR A 57 -1.622 2.947 -8.803 1.00 0.78 H new ATOM 0 HG1 THR A 57 -3.215 2.021 -6.615 1.00 0.88 H new ATOM 0 HG21 THR A 57 -0.323 2.899 -6.705 1.00 0.78 H new ATOM 0 HG22 THR A 57 -0.679 4.569 -7.205 1.00 0.78 H new ATOM 0 HG23 THR A 57 -1.607 3.818 -5.886 1.00 0.78 H new ATOM 896 N ASP A 58 -3.998 3.598 -10.271 1.00 0.71 N ATOM 897 CA ASP A 58 -5.027 3.214 -11.276 1.00 0.78 C ATOM 898 C ASP A 58 -5.143 1.708 -11.373 1.00 0.87 C ATOM 899 O ASP A 58 -5.728 1.177 -12.297 1.00 1.59 O ATOM 900 CB ASP A 58 -4.641 3.782 -12.635 1.00 0.88 C ATOM 901 CG ASP A 58 -4.703 5.310 -12.587 1.00 1.77 C ATOM 902 OD1 ASP A 58 -5.261 5.830 -11.634 1.00 2.57 O ATOM 903 OD2 ASP A 58 -4.193 5.933 -13.503 1.00 2.16 O ATOM 0 H ASP A 58 -3.072 3.793 -10.652 1.00 0.71 H new ATOM 0 HA ASP A 58 -5.990 3.618 -10.964 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -3.636 3.457 -12.905 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -5.315 3.404 -13.404 1.00 0.88 H new ATOM 908 N LYS A 59 -4.550 1.005 -10.463 1.00 0.69 N ATOM 909 CA LYS A 59 -4.572 -0.460 -10.529 1.00 0.63 C ATOM 910 C LYS A 59 -5.750 -1.030 -9.765 1.00 0.92 C ATOM 911 O LYS A 59 -5.887 -0.755 -8.610 1.00 1.56 O ATOM 912 CB LYS A 59 -3.384 -0.910 -9.722 1.00 0.62 C ATOM 913 CG LYS A 59 -3.103 -2.375 -9.992 1.00 1.23 C ATOM 914 CD LYS A 59 -2.018 -2.800 -9.039 1.00 1.26 C ATOM 915 CE LYS A 59 -1.320 -4.056 -9.570 1.00 2.14 C ATOM 916 NZ LYS A 59 -2.327 -5.132 -9.793 1.00 2.90 N ATOM 0 H LYS A 59 -4.045 1.394 -9.667 1.00 0.69 H new ATOM 0 HA LYS A 59 -4.598 -0.771 -11.573 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -2.511 -0.310 -9.978 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -3.576 -0.757 -8.660 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -4.002 -2.973 -9.844 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -2.788 -2.523 -11.025 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -1.293 -1.995 -8.917 1.00 1.26 H new ATOM 0 HD3 LYS A 59 -2.443 -2.998 -8.055 1.00 1.26 H new ATOM 0 HE2 LYS A 59 -0.802 -3.830 -10.502 1.00 2.14 H new ATOM 0 HE3 LYS A 59 -0.565 -4.392 -8.860 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 -1.843 -6.049 -9.871 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 -2.991 -5.158 -8.993 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 -2.851 -4.941 -10.671 1.00 2.90 H new ATOM 930 N LYS A 60 -6.584 -1.821 -10.364 1.00 0.91 N ATOM 931 CA LYS A 60 -7.719 -2.401 -9.572 1.00 1.21 C ATOM 932 C LYS A 60 -7.866 -3.893 -9.825 1.00 0.55 C ATOM 933 O LYS A 60 -8.162 -4.325 -10.921 1.00 1.43 O ATOM 934 CB LYS A 60 -9.008 -1.706 -9.998 1.00 2.34 C ATOM 935 CG LYS A 60 -10.183 -2.191 -9.144 1.00 2.82 C ATOM 936 CD LYS A 60 -11.463 -1.537 -9.654 1.00 3.96 C ATOM 937 CE LYS A 60 -12.618 -1.857 -8.703 1.00 4.45 C ATOM 938 NZ LYS A 60 -12.896 -3.321 -8.739 1.00 5.03 N ATOM 0 H LYS A 60 -6.542 -2.093 -11.346 1.00 0.91 H new ATOM 0 HA LYS A 60 -7.517 -2.249 -8.512 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -8.897 -0.626 -9.896 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -9.207 -1.908 -11.050 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -10.266 -3.276 -9.198 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -10.020 -1.935 -8.097 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -11.328 -0.458 -9.727 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -11.693 -1.898 -10.656 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -12.365 -1.548 -7.689 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -13.508 -1.299 -8.993 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -13.806 -3.513 -8.274 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -12.937 -3.642 -9.727 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -12.139 -3.831 -8.241 1.00 5.03 H new ATOM 952 N ILE A 61 -7.722 -4.678 -8.785 1.00 0.90 N ATOM 953 CA ILE A 61 -7.917 -6.143 -8.896 1.00 1.43 C ATOM 954 C ILE A 61 -8.897 -6.572 -7.797 1.00 0.99 C ATOM 955 O ILE A 61 -9.079 -5.875 -6.819 1.00 1.45 O ATOM 956 CB ILE A 61 -6.558 -6.845 -8.728 1.00 2.80 C ATOM 957 CG1 ILE A 61 -6.031 -6.673 -7.289 1.00 3.66 C ATOM 958 CG2 ILE A 61 -5.555 -6.234 -9.709 1.00 3.54 C ATOM 959 CD1 ILE A 61 -4.738 -7.472 -7.121 1.00 4.81 C ATOM 0 H ILE A 61 -7.473 -4.352 -7.851 1.00 0.90 H new ATOM 0 HA ILE A 61 -8.323 -6.416 -9.870 1.00 1.43 H new ATOM 0 HB ILE A 61 -6.683 -7.909 -8.929 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -5.849 -5.619 -7.080 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -6.778 -7.015 -6.573 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -4.589 -6.726 -9.596 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -5.914 -6.370 -10.729 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -5.446 -5.169 -9.502 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -4.365 -7.351 -6.104 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -4.935 -8.527 -7.312 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -3.991 -7.109 -7.827 1.00 4.81 H new ATOM 971 N ASP A 62 -9.557 -7.675 -7.962 1.00 1.05 N ATOM 972 CA ASP A 62 -10.557 -8.087 -6.933 1.00 0.82 C ATOM 973 C ASP A 62 -9.905 -8.881 -5.781 1.00 0.92 C ATOM 974 O ASP A 62 -9.171 -9.829 -5.967 1.00 1.22 O ATOM 975 CB ASP A 62 -11.668 -8.906 -7.607 1.00 1.33 C ATOM 976 CG ASP A 62 -11.113 -10.195 -8.226 1.00 1.56 C ATOM 977 OD1 ASP A 62 -9.976 -10.528 -7.957 1.00 2.06 O ATOM 978 OD2 ASP A 62 -11.837 -10.815 -8.987 1.00 2.14 O ATOM 0 H ASP A 62 -9.454 -8.309 -8.755 1.00 1.05 H new ATOM 0 HA ASP A 62 -10.986 -7.189 -6.489 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -12.436 -9.153 -6.874 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -12.147 -8.306 -8.380 1.00 1.33 H new ATOM 983 N ILE A 63 -10.179 -8.439 -4.574 1.00 0.75 N ATOM 984 CA ILE A 63 -9.610 -9.090 -3.350 1.00 0.87 C ATOM 985 C ILE A 63 -10.728 -9.467 -2.398 1.00 0.70 C ATOM 986 O ILE A 63 -11.829 -8.961 -2.487 1.00 0.66 O ATOM 987 CB ILE A 63 -8.656 -8.152 -2.597 1.00 1.06 C ATOM 988 CG1 ILE A 63 -9.424 -6.964 -1.965 1.00 0.94 C ATOM 989 CG2 ILE A 63 -7.597 -7.624 -3.568 1.00 1.72 C ATOM 990 CD1 ILE A 63 -10.231 -6.197 -3.019 1.00 1.64 C ATOM 0 H ILE A 63 -10.784 -7.640 -4.384 1.00 0.75 H new ATOM 0 HA ILE A 63 -9.062 -9.971 -3.684 1.00 0.87 H new ATOM 0 HB ILE A 63 -8.179 -8.713 -1.793 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -10.094 -7.333 -1.189 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -8.718 -6.288 -1.482 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -6.917 -6.957 -3.038 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -7.035 -8.460 -3.983 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -8.084 -7.078 -4.376 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -10.758 -5.370 -2.543 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -9.556 -5.807 -3.781 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -10.953 -6.868 -3.484 1.00 1.64 H new ATOM 1002 N GLN A 64 -10.437 -10.315 -1.451 1.00 0.71 N ATOM 1003 CA GLN A 64 -11.471 -10.676 -0.459 1.00 0.66 C ATOM 1004 C GLN A 64 -11.263 -9.795 0.778 1.00 0.61 C ATOM 1005 O GLN A 64 -10.154 -9.526 1.196 1.00 1.32 O ATOM 1006 CB GLN A 64 -11.323 -12.150 -0.074 1.00 0.77 C ATOM 1007 CG GLN A 64 -11.384 -13.020 -1.333 1.00 1.23 C ATOM 1008 CD GLN A 64 -12.714 -12.793 -2.059 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -13.766 -12.836 -1.453 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -12.709 -12.552 -3.342 1.00 2.59 N ATOM 0 H GLN A 64 -9.532 -10.768 -1.326 1.00 0.71 H new ATOM 0 HA GLN A 64 -12.468 -10.522 -0.873 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -10.377 -12.308 0.443 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -12.116 -12.437 0.617 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.552 -12.777 -1.994 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -11.281 -14.071 -1.065 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -11.826 -12.516 -3.851 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -13.588 -12.400 -3.836 1.00 2.59 H new ATOM 1019 N LYS A 65 -12.336 -9.347 1.343 1.00 0.80 N ATOM 1020 CA LYS A 65 -12.286 -8.464 2.552 1.00 0.78 C ATOM 1021 C LYS A 65 -11.749 -9.226 3.769 1.00 0.69 C ATOM 1022 O LYS A 65 -12.144 -10.346 4.020 1.00 0.82 O ATOM 1023 CB LYS A 65 -13.710 -7.996 2.859 1.00 1.04 C ATOM 1024 CG LYS A 65 -13.696 -6.951 3.975 1.00 1.72 C ATOM 1025 CD LYS A 65 -15.140 -6.560 4.311 1.00 1.99 C ATOM 1026 CE LYS A 65 -15.148 -5.421 5.331 1.00 2.85 C ATOM 1027 NZ LYS A 65 -16.441 -4.686 5.244 1.00 3.48 N ATOM 0 H LYS A 65 -13.279 -9.556 1.016 1.00 0.80 H new ATOM 0 HA LYS A 65 -11.624 -7.622 2.350 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -14.163 -7.574 1.962 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -14.324 -8.847 3.156 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -13.199 -7.351 4.859 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -13.131 -6.073 3.661 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -15.662 -6.252 3.405 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -15.675 -7.421 4.711 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -15.010 -5.818 6.337 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -14.317 -4.741 5.140 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -16.255 -3.667 5.153 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -16.973 -5.017 4.414 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -16.998 -4.861 6.105 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.907 -8.613 4.573 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.433 -9.305 5.808 1.00 0.60 C ATOM 1043 C GLY A 66 -9.282 -10.281 5.543 1.00 0.55 C ATOM 1044 O GLY A 66 -9.078 -11.197 6.313 1.00 0.64 O ATOM 0 H GLY A 66 -10.534 -7.675 4.426 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -10.110 -8.559 6.534 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -11.266 -9.847 6.257 1.00 0.60 H new ATOM 1048 N ALA A 67 -8.542 -10.153 4.473 1.00 0.50 N ATOM 1049 CA ALA A 67 -7.460 -11.167 4.252 1.00 0.56 C ATOM 1050 C ALA A 67 -6.530 -11.279 5.486 1.00 0.56 C ATOM 1051 O ALA A 67 -6.200 -10.299 6.124 1.00 0.54 O ATOM 1052 CB ALA A 67 -6.631 -10.749 3.036 1.00 0.62 C ATOM 0 H ALA A 67 -8.630 -9.423 3.766 1.00 0.50 H new ATOM 0 HA ALA A 67 -7.926 -12.139 4.087 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -5.840 -11.480 2.866 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -7.274 -10.699 2.157 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.187 -9.770 3.217 1.00 0.62 H new ATOM 1058 N SER A 68 -6.078 -12.485 5.792 1.00 0.63 N ATOM 1059 CA SER A 68 -5.132 -12.699 6.947 1.00 0.65 C ATOM 1060 C SER A 68 -3.789 -12.111 6.528 1.00 0.60 C ATOM 1061 O SER A 68 -3.599 -11.827 5.363 1.00 0.56 O ATOM 1062 CB SER A 68 -4.973 -14.190 7.253 1.00 0.73 C ATOM 1063 OG SER A 68 -4.145 -14.785 6.270 1.00 0.73 O ATOM 0 H SER A 68 -6.327 -13.335 5.286 1.00 0.63 H new ATOM 0 HA SER A 68 -5.515 -12.220 7.848 1.00 0.65 H new ATOM 0 HB2 SER A 68 -4.536 -14.325 8.243 1.00 0.73 H new ATOM 0 HB3 SER A 68 -5.948 -14.676 7.266 1.00 0.73 H new ATOM 0 HG SER A 68 -4.040 -15.740 6.465 1.00 0.73 H new ATOM 1069 N ASP A 69 -2.835 -11.901 7.407 1.00 0.64 N ATOM 1070 CA ASP A 69 -1.580 -11.319 6.886 1.00 0.60 C ATOM 1071 C ASP A 69 -0.950 -12.241 5.841 1.00 0.57 C ATOM 1072 O ASP A 69 -0.486 -11.765 4.835 1.00 0.51 O ATOM 1073 CB ASP A 69 -0.608 -11.030 8.045 1.00 0.66 C ATOM 1074 CG ASP A 69 -0.175 -12.317 8.759 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -0.424 -13.385 8.241 1.00 2.02 O ATOM 1076 OD2 ASP A 69 0.392 -12.203 9.834 1.00 1.69 O ATOM 0 H ASP A 69 -2.873 -12.098 8.407 1.00 0.64 H new ATOM 0 HA ASP A 69 -1.807 -10.374 6.393 1.00 0.60 H new ATOM 0 HB2 ASP A 69 0.272 -10.513 7.661 1.00 0.66 H new ATOM 0 HB3 ASP A 69 -1.084 -10.360 8.761 1.00 0.66 H new ATOM 1081 N GLU A 70 -0.937 -13.543 6.006 1.00 0.64 N ATOM 1082 CA GLU A 70 -0.316 -14.357 4.927 1.00 0.64 C ATOM 1083 C GLU A 70 -1.135 -14.153 3.664 1.00 0.59 C ATOM 1084 O GLU A 70 -0.609 -14.015 2.580 1.00 0.57 O ATOM 1085 CB GLU A 70 -0.335 -15.835 5.316 1.00 0.75 C ATOM 1086 CG GLU A 70 0.540 -16.057 6.552 1.00 1.34 C ATOM 1087 CD GLU A 70 0.565 -17.548 6.895 1.00 1.66 C ATOM 1088 OE1 GLU A 70 -0.199 -18.287 6.294 1.00 2.30 O ATOM 1089 OE2 GLU A 70 1.346 -17.926 7.753 1.00 1.89 O ATOM 0 H GLU A 70 -1.312 -14.054 6.805 1.00 0.64 H new ATOM 0 HA GLU A 70 0.718 -14.052 4.769 1.00 0.64 H new ATOM 0 HB2 GLU A 70 -1.357 -16.153 5.521 1.00 0.75 H new ATOM 0 HB3 GLU A 70 0.029 -16.443 4.488 1.00 0.75 H new ATOM 0 HG2 GLU A 70 1.552 -15.699 6.364 1.00 1.34 H new ATOM 0 HG3 GLU A 70 0.151 -15.485 7.394 1.00 1.34 H new ATOM 1096 N GLU A 71 -2.428 -14.090 3.810 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.269 -13.847 2.616 1.00 0.57 C ATOM 1098 C GLU A 71 -2.946 -12.462 2.086 1.00 0.51 C ATOM 1099 O GLU A 71 -2.885 -12.246 0.897 1.00 0.51 O ATOM 1100 CB GLU A 71 -4.756 -13.961 2.961 1.00 0.64 C ATOM 1101 CG GLU A 71 -5.083 -15.408 3.334 1.00 0.90 C ATOM 1102 CD GLU A 71 -6.580 -15.538 3.621 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -7.243 -14.515 3.680 1.00 1.96 O ATOM 1104 OE2 GLU A 71 -7.038 -16.658 3.776 1.00 1.50 O ATOM 0 H GLU A 71 -2.929 -14.195 4.692 1.00 0.59 H new ATOM 0 HA GLU A 71 -3.057 -14.598 1.855 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -5.000 -13.296 3.790 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -5.363 -13.647 2.111 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -4.799 -16.077 2.522 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -4.507 -15.708 4.210 1.00 0.90 H new ATOM 1111 N VAL A 72 -2.672 -11.527 2.958 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.292 -10.186 2.458 1.00 0.46 C ATOM 1113 C VAL A 72 -0.987 -10.325 1.698 1.00 0.41 C ATOM 1114 O VAL A 72 -0.809 -9.779 0.628 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.087 -9.226 3.625 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -1.547 -7.903 3.095 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -3.419 -8.987 4.338 1.00 0.59 C ATOM 0 H VAL A 72 -2.695 -11.635 3.972 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.080 -9.793 1.816 1.00 0.46 H new ATOM 0 HB VAL A 72 -1.377 -9.657 4.331 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -1.398 -7.212 3.925 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -0.596 -8.074 2.590 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -2.260 -7.475 2.390 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -3.268 -8.301 5.171 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.134 -8.556 3.638 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -3.806 -9.934 4.714 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.066 -11.074 2.248 1.00 0.40 N ATOM 1128 CA LYS A 73 1.222 -11.257 1.547 1.00 0.43 C ATOM 1129 C LYS A 73 0.975 -11.939 0.196 1.00 0.47 C ATOM 1130 O LYS A 73 1.521 -11.542 -0.813 1.00 0.51 O ATOM 1131 CB LYS A 73 2.146 -12.095 2.432 1.00 0.48 C ATOM 1132 CG LYS A 73 2.462 -11.316 3.710 1.00 0.50 C ATOM 1133 CD LYS A 73 3.474 -12.106 4.537 1.00 0.59 C ATOM 1134 CE LYS A 73 3.689 -11.392 5.864 1.00 0.76 C ATOM 1135 NZ LYS A 73 4.540 -12.231 6.756 1.00 0.79 N ATOM 0 H LYS A 73 -0.156 -11.558 3.141 1.00 0.40 H new ATOM 0 HA LYS A 73 1.697 -10.294 1.357 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.670 -13.044 2.679 1.00 0.48 H new ATOM 0 HB3 LYS A 73 3.067 -12.329 1.898 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.864 -10.333 3.462 1.00 0.50 H new ATOM 0 HG3 LYS A 73 1.551 -11.152 4.286 1.00 0.50 H new ATOM 0 HD2 LYS A 73 3.112 -13.120 4.708 1.00 0.59 H new ATOM 0 HD3 LYS A 73 4.417 -12.192 3.998 1.00 0.59 H new ATOM 0 HE2 LYS A 73 4.165 -10.426 5.695 1.00 0.76 H new ATOM 0 HE3 LYS A 73 2.729 -11.195 6.341 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 4.684 -11.739 7.661 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 4.069 -13.142 6.928 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 5.461 -12.397 6.302 1.00 0.79 H new ATOM 1149 N LYS A 74 0.150 -12.961 0.147 1.00 0.49 N ATOM 1150 CA LYS A 74 -0.091 -13.605 -1.175 1.00 0.57 C ATOM 1151 C LYS A 74 -0.683 -12.564 -2.113 1.00 0.58 C ATOM 1152 O LYS A 74 -0.275 -12.424 -3.249 1.00 0.63 O ATOM 1153 CB LYS A 74 -1.059 -14.776 -1.025 1.00 0.63 C ATOM 1154 CG LYS A 74 -0.408 -15.861 -0.171 1.00 1.16 C ATOM 1155 CD LYS A 74 -1.327 -17.077 -0.119 1.00 1.19 C ATOM 1156 CE LYS A 74 -0.741 -18.123 0.829 1.00 2.01 C ATOM 1157 NZ LYS A 74 -0.874 -17.651 2.236 1.00 2.33 N ATOM 0 H LYS A 74 -0.350 -13.363 0.940 1.00 0.49 H new ATOM 0 HA LYS A 74 0.848 -13.986 -1.577 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -1.986 -14.439 -0.561 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.319 -15.176 -2.005 1.00 0.63 H new ATOM 0 HG2 LYS A 74 0.559 -16.139 -0.590 1.00 1.16 H new ATOM 0 HG3 LYS A 74 -0.224 -15.486 0.836 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -2.320 -16.781 0.219 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -1.443 -17.500 -1.117 1.00 1.19 H new ATOM 0 HE2 LYS A 74 -1.259 -19.074 0.703 1.00 2.01 H new ATOM 0 HE3 LYS A 74 0.308 -18.298 0.591 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 0.068 -17.592 2.673 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -1.320 -16.711 2.246 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 -1.463 -18.320 2.772 1.00 2.33 H new ATOM 1171 N LYS A 75 -1.598 -11.778 -1.614 1.00 0.55 N ATOM 1172 CA LYS A 75 -2.156 -10.689 -2.446 1.00 0.59 C ATOM 1173 C LYS A 75 -1.053 -9.709 -2.809 1.00 0.55 C ATOM 1174 O LYS A 75 -1.046 -9.144 -3.881 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.308 -9.969 -1.752 1.00 0.62 C ATOM 1176 CG LYS A 75 -4.491 -10.929 -1.594 1.00 1.06 C ATOM 1177 CD LYS A 75 -5.729 -10.148 -1.148 1.00 1.32 C ATOM 1178 CE LYS A 75 -5.512 -9.588 0.255 1.00 1.88 C ATOM 1179 NZ LYS A 75 -4.689 -8.350 0.182 1.00 2.62 N ATOM 0 H LYS A 75 -1.978 -11.847 -0.670 1.00 0.55 H new ATOM 0 HA LYS A 75 -2.562 -11.134 -3.355 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -2.988 -9.606 -0.775 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -3.609 -9.097 -2.333 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -4.689 -11.437 -2.538 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -4.252 -11.700 -0.862 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -5.928 -9.335 -1.847 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -6.603 -10.799 -1.158 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -6.472 -9.370 0.722 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -5.015 -10.330 0.880 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -3.689 -8.588 0.338 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -4.799 -7.915 -0.756 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -5.003 -7.681 0.913 1.00 2.62 H new ATOM 1193 N LEU A 76 -0.115 -9.486 -1.925 1.00 0.51 N ATOM 1194 CA LEU A 76 0.962 -8.527 -2.257 1.00 0.52 C ATOM 1195 C LEU A 76 1.675 -9.020 -3.505 1.00 0.54 C ATOM 1196 O LEU A 76 2.024 -8.276 -4.387 1.00 0.59 O ATOM 1197 CB LEU A 76 1.934 -8.466 -1.075 1.00 0.58 C ATOM 1198 CG LEU A 76 2.987 -7.399 -1.332 1.00 0.76 C ATOM 1199 CD1 LEU A 76 2.328 -6.022 -1.295 1.00 1.30 C ATOM 1200 CD2 LEU A 76 4.053 -7.479 -0.239 1.00 1.28 C ATOM 0 H LEU A 76 -0.054 -9.921 -1.005 1.00 0.51 H new ATOM 0 HA LEU A 76 0.560 -7.531 -2.444 1.00 0.52 H new ATOM 0 HB2 LEU A 76 1.391 -8.241 -0.157 1.00 0.58 H new ATOM 0 HB3 LEU A 76 2.412 -9.436 -0.934 1.00 0.58 H new ATOM 0 HG LEU A 76 3.446 -7.558 -2.308 1.00 0.76 H new ATOM 0 HD11 LEU A 76 3.079 -5.254 -1.479 1.00 1.30 H new ATOM 0 HD12 LEU A 76 1.557 -5.967 -2.064 1.00 1.30 H new ATOM 0 HD13 LEU A 76 1.876 -5.861 -0.316 1.00 1.30 H new ATOM 0 HD21 LEU A 76 4.813 -6.717 -0.415 1.00 1.28 H new ATOM 0 HD22 LEU A 76 3.590 -7.312 0.734 1.00 1.28 H new ATOM 0 HD23 LEU A 76 4.517 -8.465 -0.255 1.00 1.28 H new ATOM 1212 N GLU A 77 1.894 -10.279 -3.600 1.00 0.54 N ATOM 1213 CA GLU A 77 2.572 -10.780 -4.812 1.00 0.62 C ATOM 1214 C GLU A 77 1.686 -10.470 -6.014 1.00 0.66 C ATOM 1215 O GLU A 77 2.163 -10.177 -7.090 1.00 0.72 O ATOM 1216 CB GLU A 77 2.771 -12.279 -4.699 1.00 0.67 C ATOM 1217 CG GLU A 77 3.729 -12.584 -3.545 1.00 0.65 C ATOM 1218 CD GLU A 77 3.981 -14.091 -3.471 1.00 1.04 C ATOM 1219 OE1 GLU A 77 3.302 -14.821 -4.173 1.00 1.47 O ATOM 1220 OE2 GLU A 77 4.852 -14.489 -2.714 1.00 1.70 O ATOM 0 H GLU A 77 1.640 -10.982 -2.906 1.00 0.54 H new ATOM 0 HA GLU A 77 3.545 -10.303 -4.927 1.00 0.62 H new ATOM 0 HB2 GLU A 77 1.813 -12.771 -4.530 1.00 0.67 H new ATOM 0 HB3 GLU A 77 3.172 -12.674 -5.632 1.00 0.67 H new ATOM 0 HG2 GLU A 77 4.670 -12.055 -3.691 1.00 0.65 H new ATOM 0 HG3 GLU A 77 3.306 -12.229 -2.605 1.00 0.65 H new ATOM 1227 N GLU A 78 0.391 -10.521 -5.834 1.00 0.65 N ATOM 1228 CA GLU A 78 -0.499 -10.211 -6.981 1.00 0.71 C ATOM 1229 C GLU A 78 -0.155 -8.792 -7.392 1.00 0.67 C ATOM 1230 O GLU A 78 -0.111 -8.446 -8.555 1.00 0.72 O ATOM 1231 CB GLU A 78 -1.969 -10.310 -6.565 1.00 0.74 C ATOM 1232 CG GLU A 78 -2.854 -10.148 -7.803 1.00 1.38 C ATOM 1233 CD GLU A 78 -2.684 -11.364 -8.718 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -2.318 -12.413 -8.215 1.00 1.85 O ATOM 1235 OE2 GLU A 78 -2.922 -11.223 -9.906 1.00 2.29 O ATOM 0 H GLU A 78 -0.077 -10.759 -4.959 1.00 0.65 H new ATOM 0 HA GLU A 78 -0.357 -10.914 -7.802 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -2.161 -11.272 -6.089 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -2.205 -9.539 -5.831 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -3.898 -10.047 -7.506 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -2.585 -9.237 -8.338 1.00 1.38 H new ATOM 1242 N SER A 79 0.127 -7.980 -6.412 1.00 0.62 N ATOM 1243 CA SER A 79 0.517 -6.579 -6.671 1.00 0.62 C ATOM 1244 C SER A 79 1.929 -6.627 -7.284 1.00 0.68 C ATOM 1245 O SER A 79 2.397 -5.696 -7.908 1.00 0.74 O ATOM 1246 CB SER A 79 0.421 -5.790 -5.339 1.00 0.59 C ATOM 1247 OG SER A 79 1.385 -6.239 -4.412 1.00 1.41 O ATOM 0 H SER A 79 0.101 -8.240 -5.426 1.00 0.62 H new ATOM 0 HA SER A 79 -0.135 -6.059 -7.373 1.00 0.62 H new ATOM 0 HB2 SER A 79 0.565 -4.727 -5.531 1.00 0.59 H new ATOM 0 HB3 SER A 79 -0.577 -5.905 -4.915 1.00 0.59 H new ATOM 0 HG SER A 79 1.772 -7.083 -4.726 1.00 1.41 H new ATOM 1253 N ASN A 80 2.583 -7.750 -7.091 1.00 0.72 N ATOM 1254 CA ASN A 80 3.968 -8.011 -7.616 1.00 0.85 C ATOM 1255 C ASN A 80 4.973 -7.022 -7.029 1.00 0.84 C ATOM 1256 O ASN A 80 5.948 -6.655 -7.652 1.00 0.95 O ATOM 1257 CB ASN A 80 3.970 -7.873 -9.144 1.00 0.98 C ATOM 1258 CG ASN A 80 2.902 -8.784 -9.756 1.00 1.05 C ATOM 1259 OD1 ASN A 80 2.126 -8.354 -10.587 1.00 1.40 O ATOM 1260 ND2 ASN A 80 2.836 -10.035 -9.391 1.00 1.53 N ATOM 0 H ASN A 80 2.194 -8.533 -6.566 1.00 0.72 H new ATOM 0 HA ASN A 80 4.258 -9.021 -7.325 1.00 0.85 H new ATOM 0 HB2 ASN A 80 3.779 -6.837 -9.424 1.00 0.98 H new ATOM 0 HB3 ASN A 80 4.952 -8.134 -9.539 1.00 0.98 H new ATOM 0 HD21 ASN A 80 2.134 -10.650 -9.803 1.00 1.53 H new ATOM 0 HD22 ASN A 80 3.486 -10.398 -8.694 1.00 1.53 H new ATOM 1267 N LEU A 81 4.767 -6.655 -5.809 1.00 0.80 N ATOM 1268 CA LEU A 81 5.721 -5.753 -5.099 1.00 0.88 C ATOM 1269 C LEU A 81 6.999 -6.469 -4.688 1.00 1.17 C ATOM 1270 O LEU A 81 8.037 -5.865 -4.543 1.00 1.25 O ATOM 1271 CB LEU A 81 5.049 -5.097 -3.915 1.00 1.13 C ATOM 1272 CG LEU A 81 4.284 -3.853 -4.388 1.00 1.49 C ATOM 1273 CD1 LEU A 81 3.369 -4.193 -5.557 1.00 1.87 C ATOM 1274 CD2 LEU A 81 3.448 -3.302 -3.235 1.00 2.46 C ATOM 0 H LEU A 81 3.962 -6.943 -5.253 1.00 0.80 H new ATOM 0 HA LEU A 81 6.017 -4.974 -5.801 1.00 0.88 H new ATOM 0 HB2 LEU A 81 4.365 -5.798 -3.437 1.00 1.13 H new ATOM 0 HB3 LEU A 81 5.793 -4.818 -3.169 1.00 1.13 H new ATOM 0 HG LEU A 81 5.006 -3.105 -4.716 1.00 1.49 H new ATOM 0 HD11 LEU A 81 2.837 -3.296 -5.875 1.00 1.87 H new ATOM 0 HD12 LEU A 81 3.965 -4.575 -6.386 1.00 1.87 H new ATOM 0 HD13 LEU A 81 2.649 -4.951 -5.247 1.00 1.87 H new ATOM 0 HD21 LEU A 81 2.904 -2.419 -3.570 1.00 2.46 H new ATOM 0 HD22 LEU A 81 2.739 -4.061 -2.905 1.00 2.46 H new ATOM 0 HD23 LEU A 81 4.103 -3.033 -2.407 1.00 2.46 H new ATOM 1286 N THR A 82 6.921 -7.736 -4.434 1.00 1.41 N ATOM 1287 CA THR A 82 8.101 -8.502 -3.950 1.00 1.79 C ATOM 1288 C THR A 82 9.308 -8.254 -4.838 1.00 1.79 C ATOM 1289 O THR A 82 10.432 -8.335 -4.392 1.00 1.97 O ATOM 1290 CB THR A 82 7.762 -9.987 -3.991 1.00 2.11 C ATOM 1291 OG1 THR A 82 6.569 -10.220 -3.255 1.00 2.13 O ATOM 1292 CG2 THR A 82 8.908 -10.798 -3.384 1.00 2.54 C ATOM 0 H THR A 82 6.071 -8.290 -4.543 1.00 1.41 H new ATOM 0 HA THR A 82 8.340 -8.181 -2.936 1.00 1.79 H new ATOM 0 HB THR A 82 7.617 -10.295 -5.026 1.00 2.11 H new ATOM 0 HG1 THR A 82 6.591 -11.122 -2.873 1.00 2.13 H new ATOM 0 HG21 THR A 82 8.660 -11.859 -3.416 1.00 2.54 H new ATOM 0 HG22 THR A 82 9.820 -10.621 -3.954 1.00 2.54 H new ATOM 0 HG23 THR A 82 9.062 -10.492 -2.349 1.00 2.54 H new ATOM 1300 N GLU A 83 9.095 -8.051 -6.097 1.00 1.69 N ATOM 1301 CA GLU A 83 10.266 -7.877 -6.990 1.00 1.83 C ATOM 1302 C GLU A 83 9.989 -6.929 -8.142 1.00 1.73 C ATOM 1303 O GLU A 83 10.907 -6.298 -8.625 1.00 1.85 O ATOM 1304 CB GLU A 83 10.678 -9.246 -7.535 1.00 2.32 C ATOM 1305 CG GLU A 83 11.979 -9.127 -8.339 1.00 2.54 C ATOM 1306 CD GLU A 83 12.321 -10.484 -8.954 1.00 2.96 C ATOM 1307 OE1 GLU A 83 11.551 -11.411 -8.760 1.00 3.53 O ATOM 1308 OE2 GLU A 83 13.346 -10.574 -9.608 1.00 3.13 O ATOM 0 H GLU A 83 8.180 -7.998 -6.544 1.00 1.69 H new ATOM 0 HA GLU A 83 11.070 -7.434 -6.403 1.00 1.83 H new ATOM 0 HB2 GLU A 83 10.814 -9.947 -6.712 1.00 2.32 H new ATOM 0 HB3 GLU A 83 9.886 -9.647 -8.168 1.00 2.32 H new ATOM 0 HG2 GLU A 83 11.868 -8.378 -9.123 1.00 2.54 H new ATOM 0 HG3 GLU A 83 12.790 -8.794 -7.692 1.00 2.54 H new ATOM 1315 N TYR A 84 8.787 -6.779 -8.625 1.00 1.58 N ATOM 1316 CA TYR A 84 8.681 -5.822 -9.749 1.00 1.68 C ATOM 1317 C TYR A 84 9.113 -4.480 -9.185 1.00 1.53 C ATOM 1318 O TYR A 84 9.866 -3.725 -9.765 1.00 1.85 O ATOM 1319 CB TYR A 84 7.233 -5.738 -10.208 1.00 1.54 C ATOM 1320 CG TYR A 84 7.142 -4.876 -11.446 1.00 1.85 C ATOM 1321 CD1 TYR A 84 7.354 -5.448 -12.708 1.00 2.50 C ATOM 1322 CD2 TYR A 84 6.850 -3.511 -11.337 1.00 2.10 C ATOM 1323 CE1 TYR A 84 7.274 -4.654 -13.858 1.00 2.86 C ATOM 1324 CE2 TYR A 84 6.771 -2.718 -12.488 1.00 2.45 C ATOM 1325 CZ TYR A 84 6.981 -3.289 -13.748 1.00 2.63 C ATOM 1326 OH TYR A 84 6.903 -2.507 -14.882 1.00 3.06 O ATOM 0 H TYR A 84 7.932 -7.242 -8.316 1.00 1.58 H new ATOM 0 HA TYR A 84 9.292 -6.122 -10.600 1.00 1.68 H new ATOM 0 HB2 TYR A 84 6.849 -6.736 -10.419 1.00 1.54 H new ATOM 0 HB3 TYR A 84 6.613 -5.319 -9.415 1.00 1.54 H new ATOM 0 HD1 TYR A 84 7.579 -6.501 -12.793 1.00 2.50 H new ATOM 0 HD2 TYR A 84 6.686 -3.070 -10.365 1.00 2.10 H new ATOM 0 HE1 TYR A 84 7.438 -5.094 -14.830 1.00 2.86 H new ATOM 0 HE2 TYR A 84 6.548 -1.665 -12.403 1.00 2.45 H new ATOM 0 HH TYR A 84 6.690 -1.584 -14.629 1.00 3.06 H new ATOM 1336 N MET A 85 8.536 -4.184 -8.062 1.00 1.09 N ATOM 1337 CA MET A 85 8.776 -2.878 -7.413 1.00 1.02 C ATOM 1338 C MET A 85 10.005 -2.930 -6.485 1.00 0.89 C ATOM 1339 O MET A 85 11.069 -3.365 -6.871 1.00 1.10 O ATOM 1340 CB MET A 85 7.506 -2.440 -6.668 1.00 0.95 C ATOM 1341 CG MET A 85 6.381 -2.306 -7.704 1.00 1.24 C ATOM 1342 SD MET A 85 4.883 -1.648 -6.935 1.00 1.93 S ATOM 1343 CE MET A 85 3.812 -1.760 -8.390 1.00 2.45 C ATOM 0 H MET A 85 7.899 -4.802 -7.560 1.00 1.09 H new ATOM 0 HA MET A 85 9.002 -2.133 -8.176 1.00 1.02 H new ATOM 0 HB2 MET A 85 7.239 -3.171 -5.905 1.00 0.95 H new ATOM 0 HB3 MET A 85 7.670 -1.491 -6.157 1.00 0.95 H new ATOM 0 HG2 MET A 85 6.700 -1.648 -8.512 1.00 1.24 H new ATOM 0 HG3 MET A 85 6.171 -3.279 -8.149 1.00 1.24 H new ATOM 0 HE1 MET A 85 2.957 -1.096 -8.265 1.00 2.45 H new ATOM 0 HE2 MET A 85 4.372 -1.467 -9.278 1.00 2.45 H new ATOM 0 HE3 MET A 85 3.461 -2.785 -8.505 1.00 2.45 H new ATOM 1353 N LYS A 86 9.848 -2.355 -5.324 1.00 0.69 N ATOM 1354 CA LYS A 86 10.980 -2.207 -4.356 1.00 0.66 C ATOM 1355 C LYS A 86 12.021 -1.318 -5.037 1.00 0.77 C ATOM 1356 O LYS A 86 13.208 -1.423 -4.801 1.00 0.83 O ATOM 1357 CB LYS A 86 11.600 -3.590 -4.099 1.00 0.81 C ATOM 1358 CG LYS A 86 10.603 -4.477 -3.379 1.00 0.90 C ATOM 1359 CD LYS A 86 11.068 -5.926 -3.477 1.00 1.28 C ATOM 1360 CE LYS A 86 12.484 -6.125 -2.923 1.00 1.33 C ATOM 1361 NZ LYS A 86 12.573 -7.457 -2.262 1.00 1.49 N ATOM 0 H LYS A 86 8.962 -1.971 -4.995 1.00 0.69 H new ATOM 0 HA LYS A 86 10.645 -1.781 -3.411 1.00 0.66 H new ATOM 0 HB2 LYS A 86 11.892 -4.049 -5.044 1.00 0.81 H new ATOM 0 HB3 LYS A 86 12.506 -3.487 -3.502 1.00 0.81 H new ATOM 0 HG2 LYS A 86 10.519 -4.178 -2.334 1.00 0.90 H new ATOM 0 HG3 LYS A 86 9.613 -4.368 -3.822 1.00 0.90 H new ATOM 0 HD2 LYS A 86 10.374 -6.565 -2.931 1.00 1.28 H new ATOM 0 HD3 LYS A 86 11.041 -6.244 -4.519 1.00 1.28 H new ATOM 0 HE2 LYS A 86 13.215 -6.057 -3.729 1.00 1.33 H new ATOM 0 HE3 LYS A 86 12.722 -5.336 -2.210 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 13.552 -7.804 -2.310 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 12.285 -7.370 -1.266 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 11.944 -8.128 -2.747 1.00 1.49 H new ATOM 1375 N GLU A 87 11.560 -0.443 -5.889 1.00 0.95 N ATOM 1376 CA GLU A 87 12.478 0.477 -6.623 1.00 1.19 C ATOM 1377 C GLU A 87 12.774 1.748 -5.829 1.00 1.21 C ATOM 1378 O GLU A 87 13.463 2.611 -6.325 1.00 1.60 O ATOM 1379 CB GLU A 87 11.852 0.862 -7.964 1.00 1.64 C ATOM 1380 CG GLU A 87 11.663 -0.391 -8.816 1.00 1.85 C ATOM 1381 CD GLU A 87 11.100 0.004 -10.183 1.00 2.10 C ATOM 1382 OE1 GLU A 87 10.732 1.157 -10.338 1.00 2.30 O ATOM 1383 OE2 GLU A 87 11.045 -0.853 -11.050 1.00 2.69 O ATOM 0 H GLU A 87 10.572 -0.324 -6.111 1.00 0.95 H new ATOM 0 HA GLU A 87 13.419 -0.052 -6.775 1.00 1.19 H new ATOM 0 HB2 GLU A 87 10.892 1.353 -7.802 1.00 1.64 H new ATOM 0 HB3 GLU A 87 12.491 1.576 -8.484 1.00 1.64 H new ATOM 0 HG2 GLU A 87 12.615 -0.908 -8.938 1.00 1.85 H new ATOM 0 HG3 GLU A 87 10.985 -1.084 -8.318 1.00 1.85 H new ATOM 1390 N LYS A 88 12.264 1.895 -4.627 1.00 1.46 N ATOM 1391 CA LYS A 88 12.528 3.154 -3.856 1.00 1.87 C ATOM 1392 C LYS A 88 12.054 4.352 -4.691 1.00 1.92 C ATOM 1393 O LYS A 88 12.542 4.593 -5.776 1.00 2.39 O ATOM 1394 CB LYS A 88 14.023 3.287 -3.548 1.00 2.33 C ATOM 1395 CG LYS A 88 14.464 2.133 -2.646 1.00 2.85 C ATOM 1396 CD LYS A 88 15.927 2.329 -2.246 1.00 3.63 C ATOM 1397 CE LYS A 88 16.404 1.115 -1.450 1.00 4.34 C ATOM 1398 NZ LYS A 88 16.991 1.567 -0.157 1.00 5.00 N ATOM 0 H LYS A 88 11.682 1.206 -4.151 1.00 1.46 H new ATOM 0 HA LYS A 88 11.986 3.124 -2.911 1.00 1.87 H new ATOM 0 HB2 LYS A 88 14.598 3.279 -4.474 1.00 2.33 H new ATOM 0 HB3 LYS A 88 14.221 4.241 -3.059 1.00 2.33 H new ATOM 0 HG2 LYS A 88 13.835 2.092 -1.757 1.00 2.85 H new ATOM 0 HG3 LYS A 88 14.342 1.183 -3.167 1.00 2.85 H new ATOM 0 HD2 LYS A 88 16.544 2.460 -3.135 1.00 3.63 H new ATOM 0 HD3 LYS A 88 16.034 3.234 -1.648 1.00 3.63 H new ATOM 0 HE2 LYS A 88 15.570 0.437 -1.266 1.00 4.34 H new ATOM 0 HE3 LYS A 88 17.146 0.559 -2.024 1.00 4.34 H new ATOM 0 HZ1 LYS A 88 17.316 0.741 0.385 1.00 5.00 H new ATOM 0 HZ2 LYS A 88 17.797 2.197 -0.343 1.00 5.00 H new ATOM 0 HZ3 LYS A 88 16.271 2.079 0.391 1.00 5.00 H new ATOM 1412 N ILE A 89 11.093 5.103 -4.228 1.00 1.73 N ATOM 1413 CA ILE A 89 10.617 6.239 -5.065 1.00 2.05 C ATOM 1414 C ILE A 89 11.779 7.208 -5.283 1.00 2.29 C ATOM 1415 O ILE A 89 11.972 7.710 -6.374 1.00 2.82 O ATOM 1416 CB ILE A 89 9.474 6.966 -4.351 1.00 2.17 C ATOM 1417 CG1 ILE A 89 8.337 5.989 -3.997 1.00 2.64 C ATOM 1418 CG2 ILE A 89 8.924 8.067 -5.260 1.00 2.65 C ATOM 1419 CD1 ILE A 89 7.984 5.100 -5.194 1.00 3.26 C ATOM 0 H ILE A 89 10.626 4.984 -3.329 1.00 1.73 H new ATOM 0 HA ILE A 89 10.256 5.865 -6.023 1.00 2.05 H new ATOM 0 HB ILE A 89 9.864 7.398 -3.429 1.00 2.17 H new ATOM 0 HG12 ILE A 89 8.637 5.367 -3.153 1.00 2.64 H new ATOM 0 HG13 ILE A 89 7.456 6.549 -3.683 1.00 2.64 H new ATOM 0 HG21 ILE A 89 8.110 8.585 -4.753 1.00 2.65 H new ATOM 0 HG22 ILE A 89 9.717 8.777 -5.492 1.00 2.65 H new ATOM 0 HG23 ILE A 89 8.552 7.624 -6.184 1.00 2.65 H new ATOM 0 HD11 ILE A 89 7.179 4.420 -4.917 1.00 3.26 H new ATOM 0 HD12 ILE A 89 7.662 5.724 -6.028 1.00 3.26 H new ATOM 0 HD13 ILE A 89 8.860 4.523 -5.490 1.00 3.26 H new ATOM 1431 N LYS A 90 12.588 7.439 -4.283 1.00 2.27 N ATOM 1432 CA LYS A 90 13.763 8.334 -4.485 1.00 2.78 C ATOM 1433 C LYS A 90 14.972 7.451 -4.803 1.00 3.18 C ATOM 1434 O LYS A 90 15.220 6.480 -4.116 1.00 3.57 O ATOM 1435 CB LYS A 90 14.027 9.130 -3.206 1.00 3.20 C ATOM 1436 CG LYS A 90 12.836 10.050 -2.923 1.00 3.26 C ATOM 1437 CD LYS A 90 13.144 10.930 -1.709 1.00 4.15 C ATOM 1438 CE LYS A 90 11.909 11.760 -1.355 1.00 4.47 C ATOM 1439 NZ LYS A 90 11.382 12.417 -2.586 1.00 4.39 N ATOM 0 H LYS A 90 12.488 7.051 -3.345 1.00 2.27 H new ATOM 0 HA LYS A 90 13.577 9.034 -5.299 1.00 2.78 H new ATOM 0 HB2 LYS A 90 14.183 8.451 -2.368 1.00 3.20 H new ATOM 0 HB3 LYS A 90 14.938 9.719 -3.313 1.00 3.20 H new ATOM 0 HG2 LYS A 90 12.630 10.673 -3.793 1.00 3.26 H new ATOM 0 HG3 LYS A 90 11.941 9.456 -2.737 1.00 3.26 H new ATOM 0 HD2 LYS A 90 13.434 10.310 -0.861 1.00 4.15 H new ATOM 0 HD3 LYS A 90 13.987 11.586 -1.927 1.00 4.15 H new ATOM 0 HE2 LYS A 90 11.143 11.122 -0.914 1.00 4.47 H new ATOM 0 HE3 LYS A 90 12.165 12.513 -0.609 1.00 4.47 H new ATOM 0 HZ1 LYS A 90 10.767 13.212 -2.319 1.00 4.39 H new ATOM 0 HZ2 LYS A 90 12.176 12.770 -3.158 1.00 4.39 H new ATOM 0 HZ3 LYS A 90 10.835 11.728 -3.140 1.00 4.39 H new ATOM 1453 N ILE A 91 15.736 7.783 -5.817 1.00 3.41 N ATOM 1454 CA ILE A 91 16.940 6.957 -6.142 1.00 3.92 C ATOM 1455 C ILE A 91 18.205 7.810 -6.072 1.00 3.90 C ATOM 1456 O ILE A 91 18.284 8.850 -6.697 1.00 4.10 O ATOM 1457 CB ILE A 91 16.790 6.398 -7.552 1.00 4.47 C ATOM 1458 CG1 ILE A 91 15.494 5.588 -7.642 1.00 5.08 C ATOM 1459 CG2 ILE A 91 17.983 5.496 -7.879 1.00 4.79 C ATOM 1460 CD1 ILE A 91 15.270 5.138 -9.087 1.00 5.67 C ATOM 0 H ILE A 91 15.579 8.584 -6.429 1.00 3.41 H new ATOM 0 HA ILE A 91 17.022 6.145 -5.419 1.00 3.92 H new ATOM 0 HB ILE A 91 16.756 7.221 -8.266 1.00 4.47 H new ATOM 0 HG12 ILE A 91 15.549 4.720 -6.985 1.00 5.08 H new ATOM 0 HG13 ILE A 91 14.652 6.191 -7.304 1.00 5.08 H new ATOM 0 HG21 ILE A 91 17.873 5.098 -8.888 1.00 4.79 H new ATOM 0 HG22 ILE A 91 18.905 6.075 -7.816 1.00 4.79 H new ATOM 0 HG23 ILE A 91 18.022 4.672 -7.166 1.00 4.79 H new ATOM 0 HD11 ILE A 91 14.347 4.561 -9.150 1.00 5.67 H new ATOM 0 HD12 ILE A 91 15.196 6.013 -9.733 1.00 5.67 H new ATOM 0 HD13 ILE A 91 16.107 4.519 -9.409 1.00 5.67 H new ATOM 1472 N ARG A 92 19.208 7.369 -5.352 1.00 4.10 N ATOM 1473 CA ARG A 92 20.484 8.140 -5.285 1.00 4.36 C ATOM 1474 C ARG A 92 21.678 7.235 -5.580 1.00 5.07 C ATOM 1475 O ARG A 92 21.730 6.087 -5.187 1.00 5.62 O ATOM 1476 CB ARG A 92 20.655 8.768 -3.899 1.00 4.67 C ATOM 1477 CG ARG A 92 19.577 9.828 -3.680 1.00 4.60 C ATOM 1478 CD ARG A 92 19.793 10.511 -2.329 1.00 5.13 C ATOM 1479 NE ARG A 92 18.628 11.390 -2.028 1.00 5.63 N ATOM 1480 CZ ARG A 92 18.738 12.339 -1.140 1.00 6.06 C ATOM 1481 NH1 ARG A 92 19.870 12.522 -0.516 1.00 6.10 N ATOM 1482 NH2 ARG A 92 17.717 13.107 -0.875 1.00 6.75 N ATOM 0 H ARG A 92 19.196 6.506 -4.808 1.00 4.10 H new ATOM 0 HA ARG A 92 20.441 8.928 -6.037 1.00 4.36 H new ATOM 0 HB2 ARG A 92 20.585 7.999 -3.129 1.00 4.67 H new ATOM 0 HB3 ARG A 92 21.644 9.217 -3.812 1.00 4.67 H new ATOM 0 HG2 ARG A 92 19.611 10.566 -4.481 1.00 4.60 H new ATOM 0 HG3 ARG A 92 18.589 9.368 -3.712 1.00 4.60 H new ATOM 0 HD2 ARG A 92 19.910 9.763 -1.545 1.00 5.13 H new ATOM 0 HD3 ARG A 92 20.711 11.099 -2.349 1.00 5.13 H new ATOM 0 HE ARG A 92 17.744 11.249 -2.517 1.00 5.63 H new ATOM 0 HH11 ARG A 92 20.669 11.923 -0.723 1.00 6.10 H new ATOM 0 HH12 ARG A 92 19.955 13.264 0.178 1.00 6.10 H new ATOM 0 HH21 ARG A 92 16.832 12.965 -1.362 1.00 6.75 H new ATOM 0 HH22 ARG A 92 17.804 13.849 -0.180 1.00 6.75 H new ATOM 1496 N MET A 93 22.645 7.776 -6.255 1.00 5.38 N ATOM 1497 CA MET A 93 23.879 7.021 -6.590 1.00 6.31 C ATOM 1498 C MET A 93 25.047 8.018 -6.590 1.00 6.69 C ATOM 1499 O MET A 93 26.074 7.764 -5.993 1.00 7.36 O ATOM 1500 CB MET A 93 23.741 6.357 -7.965 1.00 6.91 C ATOM 1501 CG MET A 93 23.968 4.850 -7.830 1.00 7.73 C ATOM 1502 SD MET A 93 23.963 4.090 -9.473 1.00 8.74 S ATOM 1503 CE MET A 93 24.247 2.385 -8.936 1.00 9.50 C ATOM 0 H MET A 93 22.632 8.736 -6.598 1.00 5.38 H new ATOM 0 HA MET A 93 24.054 6.232 -5.859 1.00 6.31 H new ATOM 0 HB2 MET A 93 22.750 6.551 -8.376 1.00 6.91 H new ATOM 0 HB3 MET A 93 24.464 6.783 -8.661 1.00 6.91 H new ATOM 0 HG2 MET A 93 24.918 4.658 -7.331 1.00 7.73 H new ATOM 0 HG3 MET A 93 23.188 4.408 -7.211 1.00 7.73 H new ATOM 0 HE1 MET A 93 24.281 1.730 -9.807 1.00 9.50 H new ATOM 0 HE2 MET A 93 25.194 2.325 -8.400 1.00 9.50 H new ATOM 0 HE3 MET A 93 23.437 2.071 -8.277 1.00 9.50 H new ATOM 1513 N PRO A 94 24.879 9.174 -7.205 1.00 6.57 N ATOM 1514 CA PRO A 94 25.921 10.237 -7.209 1.00 7.22 C ATOM 1515 C PRO A 94 26.168 10.745 -5.788 1.00 7.14 C ATOM 1516 O PRO A 94 25.668 10.189 -4.830 1.00 7.68 O ATOM 1517 CB PRO A 94 25.351 11.344 -8.105 1.00 7.33 C ATOM 1518 CG PRO A 94 24.268 10.685 -8.888 1.00 6.87 C ATOM 1519 CD PRO A 94 23.693 9.620 -7.966 1.00 6.18 C ATOM 0 HA PRO A 94 26.882 9.878 -7.576 1.00 7.22 H new ATOM 0 HB2 PRO A 94 24.962 12.171 -7.511 1.00 7.33 H new ATOM 0 HB3 PRO A 94 26.118 11.755 -8.761 1.00 7.33 H new ATOM 0 HG2 PRO A 94 23.503 11.404 -9.183 1.00 6.87 H new ATOM 0 HG3 PRO A 94 24.659 10.242 -9.804 1.00 6.87 H new ATOM 0 HD2 PRO A 94 22.921 10.025 -7.312 1.00 6.18 H new ATOM 0 HD3 PRO A 94 23.240 8.802 -8.526 1.00 6.18 H new ATOM 1527 N THR A 95 26.931 11.782 -5.635 1.00 6.80 N ATOM 1528 CA THR A 95 27.201 12.299 -4.266 1.00 7.13 C ATOM 1529 C THR A 95 25.878 12.699 -3.595 1.00 7.25 C ATOM 1530 O THR A 95 25.706 12.518 -2.406 1.00 7.69 O ATOM 1531 CB THR A 95 28.117 13.522 -4.353 1.00 7.31 C ATOM 1532 OG1 THR A 95 29.292 13.179 -5.075 1.00 7.52 O ATOM 1533 CG2 THR A 95 28.496 13.980 -2.944 1.00 7.21 C ATOM 0 H THR A 95 27.380 12.296 -6.393 1.00 6.80 H new ATOM 0 HA THR A 95 27.686 11.521 -3.676 1.00 7.13 H new ATOM 0 HB THR A 95 27.597 14.331 -4.866 1.00 7.31 H new ATOM 0 HG1 THR A 95 29.880 13.961 -5.134 1.00 7.52 H new ATOM 0 HG21 THR A 95 29.148 14.851 -3.008 1.00 7.21 H new ATOM 0 HG22 THR A 95 27.594 14.242 -2.392 1.00 7.21 H new ATOM 0 HG23 THR A 95 29.017 13.174 -2.427 1.00 7.21 H new ATOM 1541 N LEU A 96 24.944 13.238 -4.337 1.00 7.17 N ATOM 1542 CA LEU A 96 23.643 13.640 -3.727 1.00 7.64 C ATOM 1543 C LEU A 96 22.615 12.530 -3.954 1.00 8.02 C ATOM 1544 O LEU A 96 22.830 11.438 -3.455 1.00 8.37 O ATOM 1545 CB LEU A 96 23.147 14.931 -4.387 1.00 7.84 C ATOM 1546 CG LEU A 96 24.228 16.014 -4.301 1.00 8.03 C ATOM 1547 CD1 LEU A 96 23.679 17.325 -4.864 1.00 8.48 C ATOM 1548 CD2 LEU A 96 24.633 16.227 -2.839 1.00 8.53 C ATOM 1549 OXT LEU A 96 21.629 12.791 -4.624 1.00 8.19 O ATOM 0 H LEU A 96 25.027 13.416 -5.338 1.00 7.17 H new ATOM 0 HA LEU A 96 23.777 13.805 -2.658 1.00 7.64 H new ATOM 0 HB2 LEU A 96 22.893 14.741 -5.430 1.00 7.84 H new ATOM 0 HB3 LEU A 96 22.237 15.274 -3.895 1.00 7.84 H new ATOM 0 HG LEU A 96 25.098 15.699 -4.877 1.00 8.03 H new ATOM 0 HD11 LEU A 96 24.447 18.097 -4.804 1.00 8.48 H new ATOM 0 HD12 LEU A 96 23.390 17.181 -5.905 1.00 8.48 H new ATOM 0 HD13 LEU A 96 22.808 17.633 -4.285 1.00 8.48 H new ATOM 0 HD21 LEU A 96 25.402 16.998 -2.783 1.00 8.53 H new ATOM 0 HD22 LEU A 96 23.763 16.540 -2.262 1.00 8.53 H new ATOM 0 HD23 LEU A 96 25.023 15.295 -2.430 1.00 8.53 H new TER 1561 LEU A 96