USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 595 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.605 K(o=1.7,f=-5!) USER MOD Set 2.2: A 61 THR OG1 : rot 77:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.0519 (180deg=-1.02) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.03 (180deg=0.737) USER MOD Single : A 13 MET CE :methyl 167:sc= -0.416 (180deg=-1.1) USER MOD Single : A 14 THR OG1 : rot -38:sc= 0.811 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.275 USER MOD Single : A 17 SER OG : rot -52:sc= 1.32 USER MOD Single : A 18 CYS SG : rot 113:sc= 0.105 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.051 F(o=-0.63,f=-0.051) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 110:sc= 0 USER MOD Single : A 27 THR OG1 : rot -13:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 158:sc= -0.398 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0768 USER MOD Single : A 42 ASN : amide:sc= 0.526 K(o=0.53,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= 0.113 (180deg=-1.36!) USER MOD Single : A 45 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-0.77) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.074) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.613 -13.940 3.706 1.00 4.41 N ATOM 2 CA MET A 1 12.803 -14.563 2.652 1.00 3.72 C ATOM 3 C MET A 1 11.647 -15.247 3.372 1.00 3.09 C ATOM 4 O MET A 1 11.845 -15.685 4.503 1.00 3.43 O ATOM 5 CB MET A 1 13.609 -15.584 1.832 1.00 4.48 C ATOM 6 CG MET A 1 14.837 -15.037 1.080 1.00 5.55 C ATOM 7 SD MET A 1 14.617 -14.406 -0.611 1.00 7.09 S ATOM 8 CE MET A 1 13.727 -12.853 -0.361 1.00 7.97 C ATOM 0 H1 MET A 1 14.193 -13.181 3.295 1.00 4.41 H new ATOM 0 H2 MET A 1 12.987 -13.541 4.435 1.00 4.41 H new ATOM 0 H3 MET A 1 14.233 -14.656 4.136 1.00 4.41 H new ATOM 0 HA MET A 1 12.458 -13.815 1.938 1.00 3.72 H new ATOM 0 HB2 MET A 1 13.943 -16.375 2.503 1.00 4.48 H new ATOM 0 HB3 MET A 1 12.940 -16.044 1.105 1.00 4.48 H new ATOM 0 HG2 MET A 1 15.260 -14.232 1.681 1.00 5.55 H new ATOM 0 HG3 MET A 1 15.582 -15.832 1.042 1.00 5.55 H new ATOM 0 HE1 MET A 1 14.092 -12.107 -1.067 1.00 7.97 H new ATOM 0 HE2 MET A 1 12.661 -13.015 -0.522 1.00 7.97 H new ATOM 0 HE3 MET A 1 13.891 -12.500 0.657 1.00 7.97 H new ATOM 20 N GLY A 2 10.468 -15.299 2.759 1.00 3.42 N ATOM 21 CA GLY A 2 9.219 -15.556 3.458 1.00 3.96 C ATOM 22 C GLY A 2 8.948 -14.427 4.454 1.00 3.54 C ATOM 23 O GLY A 2 8.448 -14.675 5.549 1.00 4.57 O ATOM 0 H GLY A 2 10.355 -15.162 1.755 1.00 3.42 H new ATOM 0 HA2 GLY A 2 8.399 -15.629 2.744 1.00 3.96 H new ATOM 0 HA3 GLY A 2 9.273 -16.511 3.981 1.00 3.96 H new ATOM 27 N ASP A 3 9.319 -13.202 4.066 1.00 2.82 N ATOM 28 CA ASP A 3 9.184 -11.965 4.818 1.00 2.49 C ATOM 29 C ASP A 3 9.607 -10.832 3.884 1.00 2.07 C ATOM 30 O ASP A 3 10.256 -11.086 2.867 1.00 2.66 O ATOM 31 CB ASP A 3 10.063 -11.953 6.084 1.00 3.21 C ATOM 32 CG ASP A 3 11.505 -11.547 5.798 1.00 4.12 C ATOM 33 OD1 ASP A 3 12.262 -12.412 5.305 1.00 5.50 O ATOM 34 OD2 ASP A 3 11.827 -10.369 6.055 1.00 4.14 O ATOM 0 H ASP A 3 9.750 -13.046 3.155 1.00 2.82 H new ATOM 0 HA ASP A 3 8.153 -11.854 5.155 1.00 2.49 H new ATOM 0 HB2 ASP A 3 9.634 -11.265 6.812 1.00 3.21 H new ATOM 0 HB3 ASP A 3 10.052 -12.944 6.538 1.00 3.21 H new ATOM 39 N GLY A 4 9.271 -9.594 4.237 1.00 1.75 N ATOM 40 CA GLY A 4 9.757 -8.415 3.550 1.00 1.75 C ATOM 41 C GLY A 4 8.961 -7.199 4.001 1.00 1.73 C ATOM 42 O GLY A 4 7.956 -7.335 4.700 1.00 2.53 O ATOM 0 H GLY A 4 8.647 -9.386 5.017 1.00 1.75 H new ATOM 0 HA2 GLY A 4 10.816 -8.268 3.762 1.00 1.75 H new ATOM 0 HA3 GLY A 4 9.663 -8.545 2.472 1.00 1.75 H new ATOM 46 N VAL A 5 9.405 -6.008 3.591 1.00 1.27 N ATOM 47 CA VAL A 5 8.589 -4.806 3.589 1.00 1.24 C ATOM 48 C VAL A 5 8.897 -4.067 2.297 1.00 1.31 C ATOM 49 O VAL A 5 9.993 -4.222 1.756 1.00 1.96 O ATOM 50 CB VAL A 5 8.813 -3.913 4.832 1.00 1.29 C ATOM 51 CG1 VAL A 5 8.933 -4.721 6.133 1.00 2.46 C ATOM 52 CG2 VAL A 5 10.043 -3.004 4.729 1.00 1.67 C ATOM 0 H VAL A 5 10.354 -5.857 3.248 1.00 1.27 H new ATOM 0 HA VAL A 5 7.535 -5.080 3.641 1.00 1.24 H new ATOM 0 HB VAL A 5 7.918 -3.292 4.861 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.089 -4.041 6.971 1.00 2.46 H new ATOM 0 HG12 VAL A 5 8.017 -5.290 6.294 1.00 2.46 H new ATOM 0 HG13 VAL A 5 9.778 -5.406 6.059 1.00 2.46 H new ATOM 0 HG21 VAL A 5 10.133 -2.409 5.638 1.00 1.67 H new ATOM 0 HG22 VAL A 5 10.937 -3.615 4.605 1.00 1.67 H new ATOM 0 HG23 VAL A 5 9.935 -2.341 3.871 1.00 1.67 H new ATOM 62 N LEU A 6 7.958 -3.255 1.818 1.00 0.89 N ATOM 63 CA LEU A 6 8.202 -2.340 0.718 1.00 1.01 C ATOM 64 C LEU A 6 7.286 -1.135 0.903 1.00 0.89 C ATOM 65 O LEU A 6 6.192 -1.253 1.463 1.00 1.16 O ATOM 66 CB LEU A 6 8.048 -3.084 -0.620 1.00 1.37 C ATOM 67 CG LEU A 6 8.052 -2.200 -1.880 1.00 1.33 C ATOM 68 CD1 LEU A 6 8.731 -2.932 -3.044 1.00 2.19 C ATOM 69 CD2 LEU A 6 6.623 -1.824 -2.293 1.00 1.76 C ATOM 0 H LEU A 6 7.007 -3.217 2.185 1.00 0.89 H new ATOM 0 HA LEU A 6 9.223 -1.959 0.707 1.00 1.01 H new ATOM 0 HB2 LEU A 6 8.856 -3.810 -0.706 1.00 1.37 H new ATOM 0 HB3 LEU A 6 7.115 -3.647 -0.596 1.00 1.37 H new ATOM 0 HG LEU A 6 8.605 -1.291 -1.644 1.00 1.33 H new ATOM 0 HD11 LEU A 6 8.726 -2.294 -3.928 1.00 2.19 H new ATOM 0 HD12 LEU A 6 9.760 -3.169 -2.774 1.00 2.19 H new ATOM 0 HD13 LEU A 6 8.190 -3.854 -3.259 1.00 2.19 H new ATOM 0 HD21 LEU A 6 6.655 -1.199 -3.186 1.00 1.76 H new ATOM 0 HD22 LEU A 6 6.055 -2.730 -2.504 1.00 1.76 H new ATOM 0 HD23 LEU A 6 6.143 -1.275 -1.483 1.00 1.76 H new ATOM 81 N GLU A 7 7.776 0.028 0.477 1.00 0.71 N ATOM 82 CA GLU A 7 7.061 1.286 0.495 1.00 0.72 C ATOM 83 C GLU A 7 6.580 1.616 -0.913 1.00 0.83 C ATOM 84 O GLU A 7 7.255 1.284 -1.887 1.00 1.27 O ATOM 85 CB GLU A 7 8.002 2.401 0.947 1.00 0.81 C ATOM 86 CG GLU A 7 8.596 2.229 2.352 1.00 0.84 C ATOM 87 CD GLU A 7 9.364 3.495 2.698 1.00 1.34 C ATOM 88 OE1 GLU A 7 10.039 4.015 1.783 1.00 2.74 O ATOM 89 OE2 GLU A 7 9.106 4.110 3.756 1.00 1.68 O ATOM 0 H GLU A 7 8.719 0.114 0.097 1.00 0.71 H new ATOM 0 HA GLU A 7 6.215 1.204 1.177 1.00 0.72 H new ATOM 0 HB2 GLU A 7 8.821 2.476 0.231 1.00 0.81 H new ATOM 0 HB3 GLU A 7 7.461 3.347 0.912 1.00 0.81 H new ATOM 0 HG2 GLU A 7 7.805 2.052 3.081 1.00 0.84 H new ATOM 0 HG3 GLU A 7 9.257 1.363 2.383 1.00 0.84 H new ATOM 96 N LEU A 8 5.463 2.334 -1.013 1.00 0.59 N ATOM 97 CA LEU A 8 5.052 2.991 -2.239 1.00 0.60 C ATOM 98 C LEU A 8 4.341 4.298 -1.878 1.00 0.59 C ATOM 99 O LEU A 8 3.602 4.369 -0.894 1.00 0.65 O ATOM 100 CB LEU A 8 4.303 2.036 -3.196 1.00 0.72 C ATOM 101 CG LEU A 8 3.027 1.299 -2.739 1.00 0.68 C ATOM 102 CD1 LEU A 8 3.173 0.466 -1.462 1.00 2.39 C ATOM 103 CD2 LEU A 8 1.816 2.224 -2.633 1.00 2.49 C ATOM 0 H LEU A 8 4.817 2.473 -0.236 1.00 0.59 H new ATOM 0 HA LEU A 8 5.917 3.273 -2.839 1.00 0.60 H new ATOM 0 HB2 LEU A 8 4.039 2.613 -4.082 1.00 0.72 H new ATOM 0 HB3 LEU A 8 5.016 1.275 -3.512 1.00 0.72 H new ATOM 0 HG LEU A 8 2.855 0.584 -3.544 1.00 0.68 H new ATOM 0 HD11 LEU A 8 2.221 -0.010 -1.227 1.00 2.39 H new ATOM 0 HD12 LEU A 8 3.935 -0.299 -1.612 1.00 2.39 H new ATOM 0 HD13 LEU A 8 3.467 1.114 -0.637 1.00 2.39 H new ATOM 0 HD21 LEU A 8 0.948 1.651 -2.308 1.00 2.49 H new ATOM 0 HD22 LEU A 8 2.023 3.012 -1.909 1.00 2.49 H new ATOM 0 HD23 LEU A 8 1.612 2.670 -3.607 1.00 2.49 H new ATOM 115 N VAL A 9 4.633 5.362 -2.627 1.00 0.61 N ATOM 116 CA VAL A 9 3.909 6.618 -2.548 1.00 0.65 C ATOM 117 C VAL A 9 2.603 6.434 -3.304 1.00 0.67 C ATOM 118 O VAL A 9 2.581 5.734 -4.313 1.00 0.89 O ATOM 119 CB VAL A 9 4.764 7.778 -3.090 1.00 0.75 C ATOM 120 CG1 VAL A 9 3.957 8.925 -3.717 1.00 0.97 C ATOM 121 CG2 VAL A 9 5.603 8.360 -1.946 1.00 0.80 C ATOM 0 H VAL A 9 5.389 5.369 -3.312 1.00 0.61 H new ATOM 0 HA VAL A 9 3.686 6.884 -1.515 1.00 0.65 H new ATOM 0 HB VAL A 9 5.377 7.350 -3.883 1.00 0.75 H new ATOM 0 HG11 VAL A 9 4.639 9.698 -4.072 1.00 0.97 H new ATOM 0 HG12 VAL A 9 3.373 8.544 -4.555 1.00 0.97 H new ATOM 0 HG13 VAL A 9 3.286 9.348 -2.970 1.00 0.97 H new ATOM 0 HG21 VAL A 9 6.211 9.182 -2.323 1.00 0.80 H new ATOM 0 HG22 VAL A 9 4.942 8.727 -1.161 1.00 0.80 H new ATOM 0 HG23 VAL A 9 6.253 7.584 -1.540 1.00 0.80 H new ATOM 131 N VAL A 10 1.530 7.043 -2.800 1.00 0.60 N ATOM 132 CA VAL A 10 0.196 7.002 -3.364 1.00 0.59 C ATOM 133 C VAL A 10 -0.371 8.416 -3.311 1.00 0.68 C ATOM 134 O VAL A 10 -0.796 8.879 -2.254 1.00 1.09 O ATOM 135 CB VAL A 10 -0.715 6.000 -2.622 1.00 0.61 C ATOM 136 CG1 VAL A 10 -1.135 4.871 -3.562 1.00 1.41 C ATOM 137 CG2 VAL A 10 -0.058 5.347 -1.407 1.00 1.27 C ATOM 0 H VAL A 10 1.577 7.602 -1.948 1.00 0.60 H new ATOM 0 HA VAL A 10 0.243 6.652 -4.395 1.00 0.59 H new ATOM 0 HB VAL A 10 -1.565 6.590 -2.279 1.00 0.61 H new ATOM 0 HG11 VAL A 10 -1.777 4.172 -3.026 1.00 1.41 H new ATOM 0 HG12 VAL A 10 -1.679 5.287 -4.410 1.00 1.41 H new ATOM 0 HG13 VAL A 10 -0.249 4.348 -3.921 1.00 1.41 H new ATOM 0 HG21 VAL A 10 -0.761 4.657 -0.940 1.00 1.27 H new ATOM 0 HG22 VAL A 10 0.831 4.801 -1.724 1.00 1.27 H new ATOM 0 HG23 VAL A 10 0.226 6.117 -0.689 1.00 1.27 H new ATOM 147 N ARG A 11 -0.402 9.104 -4.450 1.00 0.69 N ATOM 148 CA ARG A 11 -1.203 10.317 -4.545 1.00 0.75 C ATOM 149 C ARG A 11 -2.678 9.913 -4.620 1.00 0.68 C ATOM 150 O ARG A 11 -2.991 8.740 -4.837 1.00 0.75 O ATOM 151 CB ARG A 11 -0.800 11.174 -5.749 1.00 1.01 C ATOM 152 CG ARG A 11 0.713 11.432 -5.820 1.00 1.30 C ATOM 153 CD ARG A 11 1.017 12.622 -6.740 1.00 1.93 C ATOM 154 NE ARG A 11 0.323 12.481 -8.031 1.00 2.86 N ATOM 155 CZ ARG A 11 -0.132 13.474 -8.806 1.00 3.91 C ATOM 156 NH1 ARG A 11 0.321 14.719 -8.620 1.00 4.19 N ATOM 157 NH2 ARG A 11 -1.044 13.223 -9.748 1.00 5.52 N ATOM 0 H ARG A 11 0.104 8.850 -5.298 1.00 0.69 H new ATOM 0 HA ARG A 11 -1.031 10.933 -3.662 1.00 0.75 H new ATOM 0 HB2 ARG A 11 -1.122 10.679 -6.665 1.00 1.01 H new ATOM 0 HB3 ARG A 11 -1.324 12.128 -5.701 1.00 1.01 H new ATOM 0 HG2 ARG A 11 1.101 11.630 -4.821 1.00 1.30 H new ATOM 0 HG3 ARG A 11 1.222 10.541 -6.189 1.00 1.30 H new ATOM 0 HD2 ARG A 11 0.708 13.549 -6.256 1.00 1.93 H new ATOM 0 HD3 ARG A 11 2.092 12.692 -6.907 1.00 1.93 H new ATOM 0 HE ARG A 11 0.174 11.530 -8.369 1.00 2.86 H new ATOM 0 HH11 ARG A 11 1.009 14.908 -7.891 1.00 4.19 H new ATOM 0 HH12 ARG A 11 -0.022 15.479 -9.207 1.00 4.19 H new ATOM 0 HH21 ARG A 11 -1.395 12.274 -9.878 1.00 5.52 H new ATOM 0 HH22 ARG A 11 -1.390 13.980 -10.338 1.00 5.52 H new ATOM 171 N GLY A 12 -3.578 10.880 -4.433 1.00 0.82 N ATOM 172 CA GLY A 12 -5.019 10.667 -4.500 1.00 0.86 C ATOM 173 C GLY A 12 -5.661 10.550 -3.117 1.00 0.78 C ATOM 174 O GLY A 12 -6.885 10.601 -3.006 1.00 0.90 O ATOM 0 H GLY A 12 -3.320 11.845 -4.228 1.00 0.82 H new ATOM 0 HA2 GLY A 12 -5.480 11.493 -5.042 1.00 0.86 H new ATOM 0 HA3 GLY A 12 -5.222 9.760 -5.069 1.00 0.86 H new ATOM 178 N MET A 13 -4.862 10.418 -2.050 1.00 0.86 N ATOM 179 CA MET A 13 -5.359 10.372 -0.679 1.00 0.89 C ATOM 180 C MET A 13 -5.805 11.768 -0.224 1.00 1.09 C ATOM 181 O MET A 13 -5.211 12.373 0.664 1.00 1.69 O ATOM 182 CB MET A 13 -4.285 9.789 0.244 1.00 1.05 C ATOM 183 CG MET A 13 -3.959 8.328 -0.086 1.00 1.13 C ATOM 184 SD MET A 13 -2.988 7.507 1.198 1.00 1.41 S ATOM 185 CE MET A 13 -1.363 8.225 0.907 1.00 1.18 C ATOM 0 H MET A 13 -3.847 10.340 -2.120 1.00 0.86 H new ATOM 0 HA MET A 13 -6.232 9.721 -0.632 1.00 0.89 H new ATOM 0 HB2 MET A 13 -3.378 10.388 0.164 1.00 1.05 H new ATOM 0 HB3 MET A 13 -4.622 9.858 1.278 1.00 1.05 H new ATOM 0 HG2 MET A 13 -4.889 7.780 -0.235 1.00 1.13 H new ATOM 0 HG3 MET A 13 -3.411 8.289 -1.028 1.00 1.13 H new ATOM 0 HE1 MET A 13 -0.710 8.001 1.751 1.00 1.18 H new ATOM 0 HE2 MET A 13 -0.937 7.804 -0.003 1.00 1.18 H new ATOM 0 HE3 MET A 13 -1.457 9.305 0.797 1.00 1.18 H new ATOM 195 N THR A 14 -6.852 12.289 -0.861 1.00 1.39 N ATOM 196 CA THR A 14 -7.250 13.688 -0.781 1.00 1.80 C ATOM 197 C THR A 14 -8.258 13.957 0.343 1.00 1.96 C ATOM 198 O THR A 14 -8.881 15.020 0.348 1.00 3.02 O ATOM 199 CB THR A 14 -7.792 14.122 -2.157 1.00 2.31 C ATOM 200 OG1 THR A 14 -8.033 15.513 -2.177 1.00 3.11 O ATOM 201 CG2 THR A 14 -9.081 13.388 -2.557 1.00 2.12 C ATOM 0 H THR A 14 -7.461 11.733 -1.462 1.00 1.39 H new ATOM 0 HA THR A 14 -6.375 14.286 -0.526 1.00 1.80 H new ATOM 0 HB THR A 14 -7.021 13.857 -2.881 1.00 2.31 H new ATOM 0 HG1 THR A 14 -8.389 15.796 -1.309 1.00 3.11 H new ATOM 0 HG21 THR A 14 -9.411 13.739 -3.535 1.00 2.12 H new ATOM 0 HG22 THR A 14 -8.890 12.316 -2.601 1.00 2.12 H new ATOM 0 HG23 THR A 14 -9.858 13.588 -1.819 1.00 2.12 H new ATOM 209 N CYS A 15 -8.471 13.016 1.267 1.00 1.47 N ATOM 210 CA CYS A 15 -9.508 13.131 2.285 1.00 1.75 C ATOM 211 C CYS A 15 -9.240 12.086 3.368 1.00 1.53 C ATOM 212 O CYS A 15 -8.363 11.239 3.191 1.00 1.95 O ATOM 213 CB CYS A 15 -10.881 12.908 1.629 1.00 2.32 C ATOM 214 SG CYS A 15 -12.197 13.536 2.697 1.00 3.03 S ATOM 0 H CYS A 15 -7.927 12.155 1.327 1.00 1.47 H new ATOM 0 HA CYS A 15 -9.501 14.122 2.740 1.00 1.75 H new ATOM 0 HB2 CYS A 15 -10.916 13.412 0.663 1.00 2.32 H new ATOM 0 HB3 CYS A 15 -11.033 11.845 1.440 1.00 2.32 H new ATOM 0 HG CYS A 15 -13.349 13.342 2.126 1.00 3.03 H new ATOM 220 N ALA A 16 -10.003 12.098 4.466 1.00 1.49 N ATOM 221 CA ALA A 16 -10.064 10.980 5.394 1.00 1.51 C ATOM 222 C ALA A 16 -10.590 9.724 4.686 1.00 1.62 C ATOM 223 O ALA A 16 -10.809 9.722 3.473 1.00 3.17 O ATOM 224 CB ALA A 16 -10.948 11.361 6.587 1.00 1.77 C ATOM 0 H ALA A 16 -10.593 12.887 4.730 1.00 1.49 H new ATOM 0 HA ALA A 16 -9.063 10.753 5.760 1.00 1.51 H new ATOM 0 HB1 ALA A 16 -10.997 10.526 7.285 1.00 1.77 H new ATOM 0 HB2 ALA A 16 -10.525 12.230 7.090 1.00 1.77 H new ATOM 0 HB3 ALA A 16 -11.952 11.598 6.235 1.00 1.77 H new ATOM 230 N SER A 17 -10.775 8.639 5.445 1.00 0.54 N ATOM 231 CA SER A 17 -11.093 7.289 4.981 1.00 0.62 C ATOM 232 C SER A 17 -9.913 6.663 4.235 1.00 0.72 C ATOM 233 O SER A 17 -9.465 5.590 4.624 1.00 0.97 O ATOM 234 CB SER A 17 -12.431 7.190 4.227 1.00 0.94 C ATOM 235 OG SER A 17 -12.363 7.670 2.898 1.00 2.55 O ATOM 0 H SER A 17 -10.702 8.685 6.461 1.00 0.54 H new ATOM 0 HA SER A 17 -11.254 6.682 5.872 1.00 0.62 H new ATOM 0 HB2 SER A 17 -12.756 6.150 4.214 1.00 0.94 H new ATOM 0 HB3 SER A 17 -13.189 7.754 4.771 1.00 0.94 H new ATOM 0 HG SER A 17 -11.973 8.569 2.894 1.00 2.55 H new ATOM 241 N CYS A 18 -9.398 7.349 3.207 1.00 0.64 N ATOM 242 CA CYS A 18 -8.261 6.995 2.352 1.00 0.76 C ATOM 243 C CYS A 18 -7.269 6.053 3.033 1.00 0.68 C ATOM 244 O CYS A 18 -6.982 4.978 2.512 1.00 0.66 O ATOM 245 CB CYS A 18 -7.534 8.256 1.858 1.00 0.99 C ATOM 246 SG CYS A 18 -8.601 9.259 0.789 1.00 1.24 S ATOM 0 H CYS A 18 -9.802 8.243 2.929 1.00 0.64 H new ATOM 0 HA CYS A 18 -8.678 6.459 1.500 1.00 0.76 H new ATOM 0 HB2 CYS A 18 -7.211 8.850 2.713 1.00 0.99 H new ATOM 0 HB3 CYS A 18 -6.635 7.969 1.312 1.00 0.99 H new ATOM 0 HG CYS A 18 -8.872 10.385 1.380 1.00 1.24 H new ATOM 252 N VAL A 19 -6.787 6.448 4.215 1.00 0.69 N ATOM 253 CA VAL A 19 -5.955 5.625 5.082 1.00 0.65 C ATOM 254 C VAL A 19 -6.500 4.191 5.152 1.00 0.60 C ATOM 255 O VAL A 19 -5.918 3.274 4.577 1.00 0.60 O ATOM 256 CB VAL A 19 -5.850 6.297 6.467 1.00 0.71 C ATOM 257 CG1 VAL A 19 -5.109 5.431 7.494 1.00 0.85 C ATOM 258 CG2 VAL A 19 -5.116 7.642 6.353 1.00 0.92 C ATOM 0 H VAL A 19 -6.972 7.374 4.601 1.00 0.69 H new ATOM 0 HA VAL A 19 -4.947 5.547 4.674 1.00 0.65 H new ATOM 0 HB VAL A 19 -6.873 6.440 6.814 1.00 0.71 H new ATOM 0 HG11 VAL A 19 -5.066 5.955 8.449 1.00 0.85 H new ATOM 0 HG12 VAL A 19 -5.637 4.486 7.622 1.00 0.85 H new ATOM 0 HG13 VAL A 19 -4.096 5.235 7.142 1.00 0.85 H new ATOM 0 HG21 VAL A 19 -5.049 8.105 7.338 1.00 0.92 H new ATOM 0 HG22 VAL A 19 -4.112 7.477 5.961 1.00 0.92 H new ATOM 0 HG23 VAL A 19 -5.665 8.300 5.679 1.00 0.92 H new ATOM 268 N HIS A 20 -7.641 3.982 5.814 1.00 0.67 N ATOM 269 CA HIS A 20 -8.197 2.649 6.003 1.00 0.77 C ATOM 270 C HIS A 20 -8.705 2.070 4.676 1.00 0.68 C ATOM 271 O HIS A 20 -8.718 0.855 4.504 1.00 0.82 O ATOM 272 CB HIS A 20 -9.217 2.641 7.159 1.00 0.92 C ATOM 273 CG HIS A 20 -10.664 2.402 6.799 1.00 0.85 C ATOM 274 ND1 HIS A 20 -11.409 3.084 5.875 1.00 1.17 N flip ATOM 275 CD2 HIS A 20 -11.500 1.495 7.409 1.00 0.64 C flip ATOM 276 CE1 HIS A 20 -12.709 2.576 5.905 1.00 1.11 C flip ATOM 277 NE2 HIS A 20 -12.714 1.623 6.849 1.00 0.80 N flip ATOM 0 H HIS A 20 -8.198 4.729 6.229 1.00 0.67 H new ATOM 0 HA HIS A 20 -7.410 1.963 6.318 1.00 0.77 H new ATOM 0 HB2 HIS A 20 -8.915 1.873 7.871 1.00 0.92 H new ATOM 0 HB3 HIS A 20 -9.151 3.599 7.675 1.00 0.92 H new ATOM 0 HD2 HIS A 20 -11.229 0.806 8.195 1.00 0.64 H new ATOM 0 HE1 HIS A 20 -13.542 2.887 5.292 1.00 1.11 H new ATOM 0 HE2 HIS A 20 -13.531 1.069 7.107 1.00 0.80 H new ATOM 285 N LYS A 21 -9.093 2.933 3.730 1.00 0.55 N ATOM 286 CA LYS A 21 -9.471 2.547 2.373 1.00 0.68 C ATOM 287 C LYS A 21 -8.371 1.671 1.775 1.00 0.72 C ATOM 288 O LYS A 21 -8.652 0.675 1.116 1.00 1.05 O ATOM 289 CB LYS A 21 -9.675 3.805 1.511 1.00 0.82 C ATOM 290 CG LYS A 21 -10.835 3.736 0.510 1.00 1.14 C ATOM 291 CD LYS A 21 -10.594 2.700 -0.598 1.00 1.36 C ATOM 292 CE LYS A 21 -11.603 2.836 -1.752 1.00 1.77 C ATOM 293 NZ LYS A 21 -11.353 4.019 -2.606 1.00 3.47 N ATOM 0 H LYS A 21 -9.153 3.938 3.893 1.00 0.55 H new ATOM 0 HA LYS A 21 -10.405 1.986 2.398 1.00 0.68 H new ATOM 0 HB2 LYS A 21 -9.839 4.656 2.173 1.00 0.82 H new ATOM 0 HB3 LYS A 21 -8.754 4.001 0.961 1.00 0.82 H new ATOM 0 HG2 LYS A 21 -11.754 3.489 1.041 1.00 1.14 H new ATOM 0 HG3 LYS A 21 -10.981 4.718 0.060 1.00 1.14 H new ATOM 0 HD2 LYS A 21 -9.582 2.816 -0.987 1.00 1.36 H new ATOM 0 HD3 LYS A 21 -10.661 1.697 -0.176 1.00 1.36 H new ATOM 0 HE2 LYS A 21 -11.566 1.937 -2.367 1.00 1.77 H new ATOM 0 HE3 LYS A 21 -12.610 2.899 -1.340 1.00 1.77 H new ATOM 0 HZ1 LYS A 21 -12.084 4.075 -3.344 1.00 3.47 H new ATOM 0 HZ2 LYS A 21 -11.382 4.880 -2.023 1.00 3.47 H new ATOM 0 HZ3 LYS A 21 -10.417 3.934 -3.052 1.00 3.47 H new ATOM 307 N ILE A 22 -7.118 2.055 2.019 1.00 0.50 N ATOM 308 CA ILE A 22 -5.955 1.289 1.620 1.00 0.44 C ATOM 309 C ILE A 22 -5.755 0.188 2.656 1.00 0.40 C ATOM 310 O ILE A 22 -5.874 -0.992 2.341 1.00 0.42 O ATOM 311 CB ILE A 22 -4.744 2.235 1.511 1.00 0.48 C ATOM 312 CG1 ILE A 22 -4.969 3.213 0.354 1.00 0.57 C ATOM 313 CG2 ILE A 22 -3.443 1.457 1.325 1.00 0.66 C ATOM 314 CD1 ILE A 22 -3.910 4.300 0.179 1.00 0.75 C ATOM 0 H ILE A 22 -6.888 2.921 2.507 1.00 0.50 H new ATOM 0 HA ILE A 22 -6.081 0.824 0.642 1.00 0.44 H new ATOM 0 HB ILE A 22 -4.650 2.795 2.442 1.00 0.48 H new ATOM 0 HG12 ILE A 22 -5.030 2.641 -0.572 1.00 0.57 H new ATOM 0 HG13 ILE A 22 -5.936 3.695 0.495 1.00 0.57 H new ATOM 0 HG21 ILE A 22 -2.609 2.155 1.252 1.00 0.66 H new ATOM 0 HG22 ILE A 22 -3.289 0.796 2.178 1.00 0.66 H new ATOM 0 HG23 ILE A 22 -3.501 0.864 0.412 1.00 0.66 H new ATOM 0 HD11 ILE A 22 -4.174 4.932 -0.669 1.00 0.75 H new ATOM 0 HD12 ILE A 22 -3.860 4.908 1.082 1.00 0.75 H new ATOM 0 HD13 ILE A 22 -2.940 3.837 -0.001 1.00 0.75 H new ATOM 326 N GLU A 23 -5.448 0.587 3.891 1.00 0.45 N ATOM 327 CA GLU A 23 -4.998 -0.287 4.963 1.00 0.51 C ATOM 328 C GLU A 23 -5.885 -1.527 5.090 1.00 0.49 C ATOM 329 O GLU A 23 -5.406 -2.657 4.981 1.00 0.52 O ATOM 330 CB GLU A 23 -4.937 0.532 6.266 1.00 0.65 C ATOM 331 CG GLU A 23 -3.582 0.425 6.969 1.00 0.97 C ATOM 332 CD GLU A 23 -3.410 1.587 7.932 1.00 1.99 C ATOM 333 OE1 GLU A 23 -4.062 1.550 8.995 1.00 2.64 O ATOM 334 OE2 GLU A 23 -2.657 2.509 7.551 1.00 3.37 O ATOM 0 H GLU A 23 -5.510 1.564 4.177 1.00 0.45 H new ATOM 0 HA GLU A 23 -4.001 -0.665 4.738 1.00 0.51 H new ATOM 0 HB2 GLU A 23 -5.144 1.579 6.042 1.00 0.65 H new ATOM 0 HB3 GLU A 23 -5.720 0.190 6.942 1.00 0.65 H new ATOM 0 HG2 GLU A 23 -3.515 -0.520 7.509 1.00 0.97 H new ATOM 0 HG3 GLU A 23 -2.778 0.429 6.233 1.00 0.97 H new ATOM 341 N SER A 24 -7.188 -1.305 5.270 1.00 0.50 N ATOM 342 CA SER A 24 -8.166 -2.370 5.444 1.00 0.54 C ATOM 343 C SER A 24 -8.199 -3.234 4.183 1.00 0.53 C ATOM 344 O SER A 24 -8.059 -4.459 4.233 1.00 0.76 O ATOM 345 CB SER A 24 -9.545 -1.771 5.756 1.00 0.61 C ATOM 346 OG SER A 24 -10.444 -2.786 6.155 1.00 1.39 O ATOM 0 H SER A 24 -7.594 -0.370 5.299 1.00 0.50 H new ATOM 0 HA SER A 24 -7.884 -3.002 6.286 1.00 0.54 H new ATOM 0 HB2 SER A 24 -9.454 -1.025 6.546 1.00 0.61 H new ATOM 0 HB3 SER A 24 -9.933 -1.258 4.876 1.00 0.61 H new ATOM 0 HG SER A 24 -11.318 -2.390 6.352 1.00 1.39 H new ATOM 352 N SER A 25 -8.334 -2.581 3.028 1.00 0.41 N ATOM 353 CA SER A 25 -8.401 -3.276 1.756 1.00 0.44 C ATOM 354 C SER A 25 -7.134 -4.084 1.480 1.00 0.46 C ATOM 355 O SER A 25 -7.198 -5.033 0.706 1.00 0.71 O ATOM 356 CB SER A 25 -8.671 -2.293 0.623 1.00 0.50 C ATOM 357 OG SER A 25 -9.048 -3.015 -0.534 1.00 0.69 O ATOM 0 H SER A 25 -8.399 -1.566 2.955 1.00 0.41 H new ATOM 0 HA SER A 25 -9.230 -3.982 1.812 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.462 -1.599 0.908 1.00 0.50 H new ATOM 0 HB3 SER A 25 -7.781 -1.697 0.421 1.00 0.50 H new ATOM 0 HG SER A 25 -9.998 -2.863 -0.719 1.00 0.69 H new ATOM 363 N LEU A 26 -5.999 -3.711 2.077 1.00 0.38 N ATOM 364 CA LEU A 26 -4.785 -4.509 2.006 1.00 0.43 C ATOM 365 C LEU A 26 -4.809 -5.650 3.010 1.00 0.43 C ATOM 366 O LEU A 26 -4.494 -6.768 2.617 1.00 0.50 O ATOM 367 CB LEU A 26 -3.511 -3.674 2.125 1.00 0.55 C ATOM 368 CG LEU A 26 -2.996 -3.205 0.752 1.00 0.72 C ATOM 369 CD1 LEU A 26 -2.331 -4.356 -0.016 1.00 2.06 C ATOM 370 CD2 LEU A 26 -4.073 -2.561 -0.134 1.00 1.92 C ATOM 0 H LEU A 26 -5.902 -2.852 2.618 1.00 0.38 H new ATOM 0 HA LEU A 26 -4.764 -4.946 1.008 1.00 0.43 H new ATOM 0 HB2 LEU A 26 -3.705 -2.806 2.755 1.00 0.55 H new ATOM 0 HB3 LEU A 26 -2.738 -4.261 2.620 1.00 0.55 H new ATOM 0 HG LEU A 26 -2.262 -2.431 0.978 1.00 0.72 H new ATOM 0 HD11 LEU A 26 -1.978 -3.993 -0.981 1.00 2.06 H new ATOM 0 HD12 LEU A 26 -1.487 -4.738 0.559 1.00 2.06 H new ATOM 0 HD13 LEU A 26 -3.055 -5.156 -0.172 1.00 2.06 H new ATOM 0 HD21 LEU A 26 -3.630 -2.258 -1.083 1.00 1.92 H new ATOM 0 HD22 LEU A 26 -4.870 -3.281 -0.319 1.00 1.92 H new ATOM 0 HD23 LEU A 26 -4.484 -1.686 0.370 1.00 1.92 H new ATOM 382 N THR A 27 -5.180 -5.411 4.275 1.00 0.43 N ATOM 383 CA THR A 27 -5.205 -6.485 5.273 1.00 0.53 C ATOM 384 C THR A 27 -5.995 -7.710 4.792 1.00 0.75 C ATOM 385 O THR A 27 -5.686 -8.843 5.147 1.00 1.93 O ATOM 386 CB THR A 27 -5.729 -6.014 6.633 1.00 0.69 C ATOM 387 OG1 THR A 27 -6.978 -5.371 6.550 1.00 0.88 O ATOM 388 CG2 THR A 27 -4.736 -5.095 7.357 1.00 0.77 C ATOM 0 H THR A 27 -5.463 -4.496 4.627 1.00 0.43 H new ATOM 0 HA THR A 27 -4.165 -6.785 5.404 1.00 0.53 H new ATOM 0 HB THR A 27 -5.853 -6.928 7.213 1.00 0.69 H new ATOM 0 HG1 THR A 27 -7.175 -5.158 5.614 1.00 0.88 H new ATOM 0 HG21 THR A 27 -5.155 -4.789 8.316 1.00 0.77 H new ATOM 0 HG22 THR A 27 -3.801 -5.629 7.524 1.00 0.77 H new ATOM 0 HG23 THR A 27 -4.545 -4.212 6.746 1.00 0.77 H new ATOM 396 N LYS A 28 -7.023 -7.463 3.980 1.00 1.02 N ATOM 397 CA LYS A 28 -7.771 -8.472 3.253 1.00 1.07 C ATOM 398 C LYS A 28 -6.875 -9.490 2.517 1.00 0.87 C ATOM 399 O LYS A 28 -7.181 -10.682 2.534 1.00 1.04 O ATOM 400 CB LYS A 28 -8.710 -7.709 2.310 1.00 1.29 C ATOM 401 CG LYS A 28 -9.277 -8.509 1.140 1.00 1.66 C ATOM 402 CD LYS A 28 -10.205 -9.649 1.576 1.00 2.35 C ATOM 403 CE LYS A 28 -10.659 -10.430 0.335 1.00 3.22 C ATOM 404 NZ LYS A 28 -11.518 -11.578 0.683 1.00 5.09 N ATOM 0 H LYS A 28 -7.365 -6.518 3.809 1.00 1.02 H new ATOM 0 HA LYS A 28 -8.337 -9.096 3.944 1.00 1.07 H new ATOM 0 HB2 LYS A 28 -9.543 -7.319 2.895 1.00 1.29 H new ATOM 0 HB3 LYS A 28 -8.172 -6.850 1.910 1.00 1.29 H new ATOM 0 HG2 LYS A 28 -9.825 -7.836 0.481 1.00 1.66 H new ATOM 0 HG3 LYS A 28 -8.453 -8.923 0.559 1.00 1.66 H new ATOM 0 HD2 LYS A 28 -9.686 -10.312 2.269 1.00 2.35 H new ATOM 0 HD3 LYS A 28 -11.070 -9.248 2.105 1.00 2.35 H new ATOM 0 HE2 LYS A 28 -11.201 -9.762 -0.334 1.00 3.22 H new ATOM 0 HE3 LYS A 28 -9.784 -10.785 -0.209 1.00 3.22 H new ATOM 0 HZ1 LYS A 28 -11.801 -12.076 -0.185 1.00 5.09 H new ATOM 0 HZ2 LYS A 28 -10.993 -12.230 1.301 1.00 5.09 H new ATOM 0 HZ3 LYS A 28 -12.367 -11.239 1.179 1.00 5.09 H new ATOM 418 N HIS A 29 -5.826 -9.052 1.810 1.00 0.70 N ATOM 419 CA HIS A 29 -4.931 -9.970 1.107 1.00 0.79 C ATOM 420 C HIS A 29 -4.162 -10.784 2.146 1.00 1.06 C ATOM 421 O HIS A 29 -3.699 -10.234 3.138 1.00 2.09 O ATOM 422 CB HIS A 29 -3.931 -9.243 0.196 1.00 0.91 C ATOM 423 CG HIS A 29 -4.525 -8.419 -0.918 1.00 0.78 C ATOM 424 ND1 HIS A 29 -4.301 -8.570 -2.272 1.00 1.40 N ATOM 425 CD2 HIS A 29 -5.221 -7.255 -0.755 1.00 0.72 C ATOM 426 CE1 HIS A 29 -4.893 -7.541 -2.899 1.00 1.81 C ATOM 427 NE2 HIS A 29 -5.467 -6.709 -2.014 1.00 1.47 N ATOM 0 H HIS A 29 -5.579 -8.067 1.712 1.00 0.70 H new ATOM 0 HA HIS A 29 -5.541 -10.609 0.469 1.00 0.79 H new ATOM 0 HB2 HIS A 29 -3.315 -8.590 0.815 1.00 0.91 H new ATOM 0 HB3 HIS A 29 -3.265 -9.986 -0.244 1.00 0.91 H new ATOM 0 HD1 HIS A 29 -3.780 -9.326 -2.716 1.00 1.40 H new ATOM 0 HD2 HIS A 29 -5.529 -6.830 0.189 1.00 0.72 H new ATOM 0 HE1 HIS A 29 -4.906 -7.401 -3.970 1.00 1.81 H new ATOM 435 N ARG A 30 -4.025 -12.096 1.942 1.00 1.06 N ATOM 436 CA ARG A 30 -3.537 -12.968 3.000 1.00 1.37 C ATOM 437 C ARG A 30 -2.098 -12.639 3.415 1.00 1.71 C ATOM 438 O ARG A 30 -1.827 -12.467 4.602 1.00 3.47 O ATOM 439 CB ARG A 30 -3.706 -14.440 2.596 1.00 1.73 C ATOM 440 CG ARG A 30 -3.333 -15.428 3.715 1.00 2.71 C ATOM 441 CD ARG A 30 -4.092 -15.140 5.019 1.00 4.17 C ATOM 442 NE ARG A 30 -3.947 -16.239 5.986 1.00 5.09 N ATOM 443 CZ ARG A 30 -4.489 -16.241 7.214 1.00 6.67 C ATOM 444 NH1 ARG A 30 -5.196 -15.183 7.630 1.00 7.77 N ATOM 445 NH2 ARG A 30 -4.330 -17.298 8.018 1.00 7.61 N ATOM 0 H ARG A 30 -4.243 -12.568 1.065 1.00 1.06 H new ATOM 0 HA ARG A 30 -4.145 -12.790 3.887 1.00 1.37 H new ATOM 0 HB2 ARG A 30 -4.741 -14.611 2.300 1.00 1.73 H new ATOM 0 HB3 ARG A 30 -3.087 -14.642 1.722 1.00 1.73 H new ATOM 0 HG2 ARG A 30 -3.550 -16.445 3.387 1.00 2.71 H new ATOM 0 HG3 ARG A 30 -2.260 -15.375 3.902 1.00 2.71 H new ATOM 0 HD2 ARG A 30 -3.720 -14.215 5.460 1.00 4.17 H new ATOM 0 HD3 ARG A 30 -5.148 -14.986 4.799 1.00 4.17 H new ATOM 0 HE ARG A 30 -3.399 -17.052 5.705 1.00 5.09 H new ATOM 0 HH11 ARG A 30 -5.321 -14.379 7.015 1.00 7.77 H new ATOM 0 HH12 ARG A 30 -5.609 -15.181 8.562 1.00 7.77 H new ATOM 0 HH21 ARG A 30 -3.795 -18.106 7.699 1.00 7.61 H new ATOM 0 HH22 ARG A 30 -4.743 -17.296 8.951 1.00 7.61 H new ATOM 459 N GLY A 31 -1.169 -12.586 2.458 1.00 0.71 N ATOM 460 CA GLY A 31 0.261 -12.512 2.751 1.00 0.90 C ATOM 461 C GLY A 31 0.731 -11.102 3.116 1.00 0.74 C ATOM 462 O GLY A 31 1.726 -10.622 2.571 1.00 1.32 O ATOM 0 H GLY A 31 -1.387 -12.593 1.462 1.00 0.71 H new ATOM 0 HA2 GLY A 31 0.492 -13.189 3.573 1.00 0.90 H new ATOM 0 HA3 GLY A 31 0.821 -12.861 1.884 1.00 0.90 H new ATOM 466 N ILE A 32 0.006 -10.417 4.007 1.00 1.20 N ATOM 467 CA ILE A 32 0.340 -9.099 4.501 1.00 0.91 C ATOM 468 C ILE A 32 0.418 -9.186 6.030 1.00 1.03 C ATOM 469 O ILE A 32 -0.569 -9.448 6.711 1.00 1.54 O ATOM 470 CB ILE A 32 -0.665 -8.092 3.922 1.00 0.94 C ATOM 471 CG1 ILE A 32 -0.164 -6.648 3.805 1.00 0.89 C ATOM 472 CG2 ILE A 32 -1.994 -8.108 4.656 1.00 1.82 C ATOM 473 CD1 ILE A 32 0.485 -6.139 5.085 1.00 1.75 C ATOM 0 H ILE A 32 -0.855 -10.786 4.410 1.00 1.20 H new ATOM 0 HA ILE A 32 1.314 -8.734 4.176 1.00 0.91 H new ATOM 0 HB ILE A 32 -0.803 -8.451 2.902 1.00 0.94 H new ATOM 0 HG12 ILE A 32 0.555 -6.584 2.989 1.00 0.89 H new ATOM 0 HG13 ILE A 32 -1.000 -5.999 3.545 1.00 0.89 H new ATOM 0 HG21 ILE A 32 -2.667 -7.378 4.206 1.00 1.82 H new ATOM 0 HG22 ILE A 32 -2.437 -9.101 4.585 1.00 1.82 H new ATOM 0 HG23 ILE A 32 -1.834 -7.856 5.704 1.00 1.82 H new ATOM 0 HD11 ILE A 32 0.819 -5.112 4.940 1.00 1.75 H new ATOM 0 HD12 ILE A 32 -0.239 -6.173 5.899 1.00 1.75 H new ATOM 0 HD13 ILE A 32 1.340 -6.767 5.334 1.00 1.75 H new ATOM 485 N LEU A 33 1.622 -9.014 6.569 1.00 0.93 N ATOM 486 CA LEU A 33 1.879 -9.026 8.002 1.00 1.18 C ATOM 487 C LEU A 33 1.349 -7.724 8.616 1.00 1.07 C ATOM 488 O LEU A 33 0.638 -7.759 9.617 1.00 1.20 O ATOM 489 CB LEU A 33 3.379 -9.317 8.249 1.00 1.38 C ATOM 490 CG LEU A 33 4.027 -8.646 9.468 1.00 2.28 C ATOM 491 CD1 LEU A 33 3.466 -9.198 10.784 1.00 2.92 C ATOM 492 CD2 LEU A 33 5.540 -8.900 9.440 1.00 3.31 C ATOM 0 H LEU A 33 2.461 -8.860 6.009 1.00 0.93 H new ATOM 0 HA LEU A 33 1.343 -9.828 8.511 1.00 1.18 H new ATOM 0 HB2 LEU A 33 3.503 -10.395 8.350 1.00 1.38 H new ATOM 0 HB3 LEU A 33 3.934 -9.014 7.361 1.00 1.38 H new ATOM 0 HG LEU A 33 3.808 -7.580 9.417 1.00 2.28 H new ATOM 0 HD11 LEU A 33 3.949 -8.698 11.624 1.00 2.92 H new ATOM 0 HD12 LEU A 33 2.392 -9.019 10.825 1.00 2.92 H new ATOM 0 HD13 LEU A 33 3.658 -10.270 10.840 1.00 2.92 H new ATOM 0 HD21 LEU A 33 6.005 -8.425 10.304 1.00 3.31 H new ATOM 0 HD22 LEU A 33 5.729 -9.973 9.470 1.00 3.31 H new ATOM 0 HD23 LEU A 33 5.962 -8.483 8.526 1.00 3.31 H new ATOM 504 N TYR A 34 1.681 -6.570 8.026 1.00 0.89 N ATOM 505 CA TYR A 34 1.287 -5.272 8.564 1.00 0.85 C ATOM 506 C TYR A 34 1.282 -4.208 7.467 1.00 0.75 C ATOM 507 O TYR A 34 2.320 -3.963 6.858 1.00 1.02 O ATOM 508 CB TYR A 34 2.269 -4.880 9.675 1.00 0.91 C ATOM 509 CG TYR A 34 1.971 -3.552 10.340 1.00 0.95 C ATOM 510 CD1 TYR A 34 0.886 -3.433 11.228 1.00 1.65 C ATOM 511 CD2 TYR A 34 2.781 -2.433 10.073 1.00 2.54 C ATOM 512 CE1 TYR A 34 0.614 -2.200 11.843 1.00 1.66 C ATOM 513 CE2 TYR A 34 2.537 -1.214 10.726 1.00 2.61 C ATOM 514 CZ TYR A 34 1.425 -1.085 11.576 1.00 1.16 C ATOM 515 OH TYR A 34 1.141 0.116 12.154 1.00 1.33 O ATOM 0 H TYR A 34 2.228 -6.514 7.167 1.00 0.89 H new ATOM 0 HA TYR A 34 0.277 -5.341 8.967 1.00 0.85 H new ATOM 0 HB2 TYR A 34 2.267 -5.661 10.436 1.00 0.91 H new ATOM 0 HB3 TYR A 34 3.275 -4.844 9.257 1.00 0.91 H new ATOM 0 HD1 TYR A 34 0.262 -4.290 11.437 1.00 1.65 H new ATOM 0 HD2 TYR A 34 3.592 -2.512 9.364 1.00 2.54 H new ATOM 0 HE1 TYR A 34 -0.220 -2.109 12.523 1.00 1.66 H new ATOM 0 HE2 TYR A 34 3.203 -0.377 10.575 1.00 2.61 H new ATOM 0 HH TYR A 34 1.800 0.782 11.866 1.00 1.33 H new ATOM 525 N CYS A 35 0.135 -3.573 7.208 1.00 0.72 N ATOM 526 CA CYS A 35 0.063 -2.386 6.355 1.00 0.65 C ATOM 527 C CYS A 35 0.137 -1.166 7.260 1.00 0.69 C ATOM 528 O CYS A 35 -0.199 -1.250 8.441 1.00 0.98 O ATOM 529 CB CYS A 35 -1.221 -2.290 5.502 1.00 0.67 C ATOM 530 SG CYS A 35 -2.183 -3.814 5.396 1.00 2.58 S ATOM 0 H CYS A 35 -0.767 -3.867 7.583 1.00 0.72 H new ATOM 0 HA CYS A 35 0.891 -2.446 5.649 1.00 0.65 H new ATOM 0 HB2 CYS A 35 -1.855 -1.506 5.915 1.00 0.67 H new ATOM 0 HB3 CYS A 35 -0.947 -1.980 4.494 1.00 0.67 H new ATOM 0 HG CYS A 35 -3.414 -3.530 5.091 1.00 2.58 H new ATOM 536 N SER A 36 0.539 -0.025 6.701 1.00 0.54 N ATOM 537 CA SER A 36 0.424 1.263 7.367 1.00 0.58 C ATOM 538 C SER A 36 0.576 2.369 6.330 1.00 0.54 C ATOM 539 O SER A 36 1.658 2.501 5.751 1.00 0.66 O ATOM 540 CB SER A 36 1.484 1.381 8.467 1.00 0.84 C ATOM 541 OG SER A 36 1.306 2.552 9.241 1.00 1.31 O ATOM 0 H SER A 36 0.954 0.028 5.771 1.00 0.54 H new ATOM 0 HA SER A 36 -0.554 1.356 7.839 1.00 0.58 H new ATOM 0 HB2 SER A 36 1.435 0.506 9.115 1.00 0.84 H new ATOM 0 HB3 SER A 36 2.477 1.390 8.017 1.00 0.84 H new ATOM 0 HG SER A 36 1.998 2.594 9.934 1.00 1.31 H new ATOM 547 N VAL A 37 -0.483 3.142 6.065 1.00 0.51 N ATOM 548 CA VAL A 37 -0.427 4.281 5.170 1.00 0.58 C ATOM 549 C VAL A 37 -0.675 5.609 5.893 1.00 0.54 C ATOM 550 O VAL A 37 -1.458 5.680 6.837 1.00 0.58 O ATOM 551 CB VAL A 37 -1.387 4.003 4.008 1.00 0.76 C ATOM 552 CG1 VAL A 37 -2.812 3.744 4.503 1.00 1.53 C ATOM 553 CG2 VAL A 37 -1.403 5.136 2.989 1.00 2.18 C ATOM 0 H VAL A 37 -1.405 2.986 6.473 1.00 0.51 H new ATOM 0 HA VAL A 37 0.579 4.403 4.767 1.00 0.58 H new ATOM 0 HB VAL A 37 -1.012 3.105 3.517 1.00 0.76 H new ATOM 0 HG11 VAL A 37 -3.464 3.551 3.651 1.00 1.53 H new ATOM 0 HG12 VAL A 37 -2.815 2.879 5.166 1.00 1.53 H new ATOM 0 HG13 VAL A 37 -3.173 4.618 5.045 1.00 1.53 H new ATOM 0 HG21 VAL A 37 -2.098 4.893 2.185 1.00 2.18 H new ATOM 0 HG22 VAL A 37 -1.720 6.058 3.476 1.00 2.18 H new ATOM 0 HG23 VAL A 37 -0.403 5.268 2.576 1.00 2.18 H new ATOM 563 N ALA A 38 0.001 6.672 5.441 1.00 0.67 N ATOM 564 CA ALA A 38 -0.200 8.027 5.928 1.00 0.68 C ATOM 565 C ALA A 38 -0.356 8.991 4.759 1.00 0.64 C ATOM 566 O ALA A 38 0.434 8.981 3.809 1.00 0.62 O ATOM 567 CB ALA A 38 0.959 8.474 6.810 1.00 0.77 C ATOM 0 H ALA A 38 0.713 6.605 4.714 1.00 0.67 H new ATOM 0 HA ALA A 38 -1.111 8.034 6.527 1.00 0.68 H new ATOM 0 HB1 ALA A 38 0.780 9.491 7.159 1.00 0.77 H new ATOM 0 HB2 ALA A 38 1.043 7.806 7.667 1.00 0.77 H new ATOM 0 HB3 ALA A 38 1.885 8.445 6.236 1.00 0.77 H new ATOM 573 N LEU A 39 -1.377 9.844 4.862 1.00 0.70 N ATOM 574 CA LEU A 39 -1.757 10.769 3.807 1.00 0.77 C ATOM 575 C LEU A 39 -0.728 11.889 3.680 1.00 0.78 C ATOM 576 O LEU A 39 -0.299 12.201 2.576 1.00 0.87 O ATOM 577 CB LEU A 39 -3.212 11.239 3.970 1.00 0.98 C ATOM 578 CG LEU A 39 -3.502 12.126 5.195 1.00 0.85 C ATOM 579 CD1 LEU A 39 -3.428 13.617 4.837 1.00 1.44 C ATOM 580 CD2 LEU A 39 -4.912 11.831 5.720 1.00 1.18 C ATOM 0 H LEU A 39 -1.966 9.908 5.692 1.00 0.70 H new ATOM 0 HA LEU A 39 -1.743 10.252 2.847 1.00 0.77 H new ATOM 0 HB2 LEU A 39 -3.498 11.788 3.073 1.00 0.98 H new ATOM 0 HB3 LEU A 39 -3.853 10.359 4.023 1.00 0.98 H new ATOM 0 HG LEU A 39 -2.749 11.903 5.951 1.00 0.85 H new ATOM 0 HD11 LEU A 39 -3.638 14.215 5.724 1.00 1.44 H new ATOM 0 HD12 LEU A 39 -2.430 13.853 4.468 1.00 1.44 H new ATOM 0 HD13 LEU A 39 -4.164 13.843 4.065 1.00 1.44 H new ATOM 0 HD21 LEU A 39 -5.116 12.459 6.587 1.00 1.18 H new ATOM 0 HD22 LEU A 39 -5.643 12.042 4.939 1.00 1.18 H new ATOM 0 HD23 LEU A 39 -4.981 10.782 6.008 1.00 1.18 H new ATOM 592 N ALA A 40 -0.273 12.449 4.806 1.00 0.80 N ATOM 593 CA ALA A 40 0.726 13.514 4.812 1.00 0.94 C ATOM 594 C ALA A 40 1.996 13.063 4.088 1.00 0.93 C ATOM 595 O ALA A 40 2.476 13.723 3.169 1.00 1.18 O ATOM 596 CB ALA A 40 1.026 13.930 6.254 1.00 1.05 C ATOM 0 H ALA A 40 -0.589 12.174 5.736 1.00 0.80 H new ATOM 0 HA ALA A 40 0.333 14.379 4.278 1.00 0.94 H new ATOM 0 HB1 ALA A 40 1.772 14.725 6.256 1.00 1.05 H new ATOM 0 HB2 ALA A 40 0.112 14.289 6.727 1.00 1.05 H new ATOM 0 HB3 ALA A 40 1.408 13.073 6.808 1.00 1.05 H new ATOM 602 N THR A 41 2.516 11.893 4.465 1.00 0.79 N ATOM 603 CA THR A 41 3.682 11.292 3.845 1.00 0.84 C ATOM 604 C THR A 41 3.393 10.909 2.389 1.00 0.76 C ATOM 605 O THR A 41 4.319 10.599 1.644 1.00 0.85 O ATOM 606 CB THR A 41 4.062 10.061 4.682 1.00 0.96 C ATOM 607 OG1 THR A 41 3.774 10.317 6.045 1.00 1.92 O ATOM 608 CG2 THR A 41 5.544 9.702 4.547 1.00 1.77 C ATOM 0 H THR A 41 2.126 11.333 5.223 1.00 0.79 H new ATOM 0 HA THR A 41 4.510 12.000 3.820 1.00 0.84 H new ATOM 0 HB THR A 41 3.479 9.218 4.311 1.00 0.96 H new ATOM 0 HG1 THR A 41 4.013 9.533 6.583 1.00 1.92 H new ATOM 0 HG21 THR A 41 5.763 8.826 5.157 1.00 1.77 H new ATOM 0 HG22 THR A 41 5.772 9.484 3.504 1.00 1.77 H new ATOM 0 HG23 THR A 41 6.154 10.540 4.884 1.00 1.77 H new ATOM 616 N ASN A 42 2.112 10.894 1.996 1.00 0.73 N ATOM 617 CA ASN A 42 1.633 10.401 0.716 1.00 0.81 C ATOM 618 C ASN A 42 2.113 8.966 0.521 1.00 0.71 C ATOM 619 O ASN A 42 2.348 8.563 -0.612 1.00 0.79 O ATOM 620 CB ASN A 42 2.070 11.316 -0.444 1.00 1.12 C ATOM 621 CG ASN A 42 1.346 12.657 -0.476 1.00 1.52 C ATOM 622 OD1 ASN A 42 0.564 12.917 -1.387 1.00 1.95 O ATOM 623 ND2 ASN A 42 1.601 13.542 0.484 1.00 2.78 N ATOM 0 H ASN A 42 1.359 11.240 2.591 1.00 0.73 H new ATOM 0 HA ASN A 42 0.543 10.410 0.716 1.00 0.81 H new ATOM 0 HB2 ASN A 42 3.143 11.494 -0.369 1.00 1.12 H new ATOM 0 HB3 ASN A 42 1.898 10.798 -1.388 1.00 1.12 H new ATOM 0 HD21 ASN A 42 1.144 14.454 0.471 1.00 2.78 H new ATOM 0 HD22 ASN A 42 2.253 13.309 1.233 1.00 2.78 H new ATOM 630 N LYS A 43 2.284 8.199 1.608 1.00 0.66 N ATOM 631 CA LYS A 43 3.036 6.953 1.571 1.00 0.70 C ATOM 632 C LYS A 43 2.279 5.829 2.258 1.00 0.73 C ATOM 633 O LYS A 43 1.862 5.990 3.404 1.00 1.07 O ATOM 634 CB LYS A 43 4.440 7.122 2.176 1.00 0.92 C ATOM 635 CG LYS A 43 5.267 5.843 1.962 1.00 1.34 C ATOM 636 CD LYS A 43 6.619 5.836 2.681 1.00 1.17 C ATOM 637 CE LYS A 43 7.647 6.799 2.069 1.00 1.29 C ATOM 638 NZ LYS A 43 9.030 6.339 2.318 1.00 1.60 N ATOM 0 H LYS A 43 1.905 8.429 2.527 1.00 0.66 H new ATOM 0 HA LYS A 43 3.159 6.681 0.523 1.00 0.70 H new ATOM 0 HB2 LYS A 43 4.943 7.971 1.714 1.00 0.92 H new ATOM 0 HB3 LYS A 43 4.361 7.339 3.241 1.00 0.92 H new ATOM 0 HG2 LYS A 43 4.684 4.987 2.302 1.00 1.34 H new ATOM 0 HG3 LYS A 43 5.437 5.709 0.894 1.00 1.34 H new ATOM 0 HD2 LYS A 43 6.466 6.099 3.728 1.00 1.17 H new ATOM 0 HD3 LYS A 43 7.025 4.825 2.663 1.00 1.17 H new ATOM 0 HE2 LYS A 43 7.477 6.882 0.996 1.00 1.29 H new ATOM 0 HE3 LYS A 43 7.511 7.795 2.491 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.681 7.148 2.258 1.00 1.60 H new ATOM 0 HZ2 LYS A 43 9.090 5.916 3.266 1.00 1.60 H new ATOM 0 HZ3 LYS A 43 9.293 5.629 1.605 1.00 1.60 H new ATOM 652 N ALA A 44 2.183 4.681 1.578 1.00 0.53 N ATOM 653 CA ALA A 44 1.886 3.399 2.191 1.00 0.60 C ATOM 654 C ALA A 44 3.198 2.647 2.368 1.00 0.60 C ATOM 655 O ALA A 44 3.989 2.581 1.426 1.00 0.68 O ATOM 656 CB ALA A 44 0.905 2.608 1.322 1.00 0.69 C ATOM 0 H ALA A 44 2.313 4.625 0.568 1.00 0.53 H new ATOM 0 HA ALA A 44 1.413 3.541 3.163 1.00 0.60 H new ATOM 0 HB1 ALA A 44 0.692 1.649 1.794 1.00 0.69 H new ATOM 0 HB2 ALA A 44 -0.021 3.172 1.213 1.00 0.69 H new ATOM 0 HB3 ALA A 44 1.345 2.438 0.339 1.00 0.69 H new ATOM 662 N HIS A 45 3.431 2.081 3.554 1.00 0.62 N ATOM 663 CA HIS A 45 4.355 0.971 3.687 1.00 0.66 C ATOM 664 C HIS A 45 3.533 -0.284 3.904 1.00 0.61 C ATOM 665 O HIS A 45 2.479 -0.241 4.546 1.00 0.60 O ATOM 666 CB HIS A 45 5.431 1.204 4.757 1.00 0.91 C ATOM 667 CG HIS A 45 5.117 0.742 6.160 1.00 0.76 C ATOM 668 ND1 HIS A 45 5.287 1.501 7.294 1.00 0.95 N ATOM 669 CD2 HIS A 45 4.950 -0.560 6.563 1.00 0.75 C ATOM 670 CE1 HIS A 45 5.211 0.674 8.349 1.00 1.03 C ATOM 671 NE2 HIS A 45 5.007 -0.594 7.959 1.00 0.88 N ATOM 0 H HIS A 45 2.992 2.376 4.426 1.00 0.62 H new ATOM 0 HA HIS A 45 4.939 0.862 2.773 1.00 0.66 H new ATOM 0 HB2 HIS A 45 6.344 0.705 4.433 1.00 0.91 H new ATOM 0 HB3 HIS A 45 5.647 2.272 4.793 1.00 0.91 H new ATOM 0 HD1 HIS A 45 5.442 2.509 7.328 1.00 0.95 H new ATOM 0 HD2 HIS A 45 4.801 -1.410 5.914 1.00 0.75 H new ATOM 0 HE1 HIS A 45 5.302 0.988 9.378 1.00 1.03 H new ATOM 679 N ILE A 46 4.018 -1.396 3.355 1.00 0.61 N ATOM 680 CA ILE A 46 3.369 -2.678 3.502 1.00 0.52 C ATOM 681 C ILE A 46 4.441 -3.713 3.813 1.00 0.55 C ATOM 682 O ILE A 46 5.432 -3.843 3.094 1.00 0.68 O ATOM 683 CB ILE A 46 2.556 -3.004 2.242 1.00 0.54 C ATOM 684 CG1 ILE A 46 1.560 -1.874 1.930 1.00 0.78 C ATOM 685 CG2 ILE A 46 1.783 -4.314 2.428 1.00 0.77 C ATOM 686 CD1 ILE A 46 0.756 -2.142 0.664 1.00 1.75 C ATOM 0 H ILE A 46 4.872 -1.424 2.798 1.00 0.61 H new ATOM 0 HA ILE A 46 2.654 -2.672 4.325 1.00 0.52 H new ATOM 0 HB ILE A 46 3.254 -3.107 1.412 1.00 0.54 H new ATOM 0 HG12 ILE A 46 0.878 -1.752 2.771 1.00 0.78 H new ATOM 0 HG13 ILE A 46 2.103 -0.935 1.821 1.00 0.78 H new ATOM 0 HG21 ILE A 46 1.212 -4.531 1.525 1.00 0.77 H new ATOM 0 HG22 ILE A 46 2.484 -5.127 2.617 1.00 0.77 H new ATOM 0 HG23 ILE A 46 1.102 -4.218 3.274 1.00 0.77 H new ATOM 0 HD11 ILE A 46 0.068 -1.315 0.488 1.00 1.75 H new ATOM 0 HD12 ILE A 46 1.434 -2.237 -0.184 1.00 1.75 H new ATOM 0 HD13 ILE A 46 0.190 -3.066 0.781 1.00 1.75 H new ATOM 698 N LYS A 47 4.221 -4.436 4.907 1.00 0.56 N ATOM 699 CA LYS A 47 5.010 -5.572 5.333 1.00 0.60 C ATOM 700 C LYS A 47 4.359 -6.834 4.801 1.00 0.58 C ATOM 701 O LYS A 47 3.701 -7.549 5.550 1.00 1.16 O ATOM 702 CB LYS A 47 5.117 -5.626 6.853 1.00 0.71 C ATOM 703 CG LYS A 47 5.662 -4.326 7.440 1.00 0.69 C ATOM 704 CD LYS A 47 6.290 -4.705 8.778 1.00 0.89 C ATOM 705 CE LYS A 47 6.807 -3.455 9.502 1.00 1.11 C ATOM 706 NZ LYS A 47 7.424 -3.789 10.801 1.00 2.18 N ATOM 0 H LYS A 47 3.452 -4.231 5.545 1.00 0.56 H new ATOM 0 HA LYS A 47 6.022 -5.479 4.939 1.00 0.60 H new ATOM 0 HB2 LYS A 47 4.134 -5.830 7.278 1.00 0.71 H new ATOM 0 HB3 LYS A 47 5.766 -6.453 7.141 1.00 0.71 H new ATOM 0 HG2 LYS A 47 6.399 -3.876 6.775 1.00 0.69 H new ATOM 0 HG3 LYS A 47 4.866 -3.594 7.575 1.00 0.69 H new ATOM 0 HD2 LYS A 47 5.554 -5.215 9.400 1.00 0.89 H new ATOM 0 HD3 LYS A 47 7.110 -5.404 8.616 1.00 0.89 H new ATOM 0 HE2 LYS A 47 7.538 -2.947 8.873 1.00 1.11 H new ATOM 0 HE3 LYS A 47 5.983 -2.759 9.659 1.00 1.11 H new ATOM 0 HZ1 LYS A 47 7.761 -2.918 11.259 1.00 2.18 H new ATOM 0 HZ2 LYS A 47 6.720 -4.251 11.411 1.00 2.18 H new ATOM 0 HZ3 LYS A 47 8.226 -4.433 10.649 1.00 2.18 H new ATOM 720 N TYR A 48 4.477 -7.059 3.499 1.00 0.63 N ATOM 721 CA TYR A 48 3.944 -8.231 2.834 1.00 0.58 C ATOM 722 C TYR A 48 5.004 -9.284 2.535 1.00 0.57 C ATOM 723 O TYR A 48 6.197 -9.018 2.653 1.00 0.62 O ATOM 724 CB TYR A 48 3.227 -7.814 1.547 1.00 0.61 C ATOM 725 CG TYR A 48 4.130 -7.190 0.500 1.00 0.62 C ATOM 726 CD1 TYR A 48 4.320 -5.799 0.490 1.00 2.01 C ATOM 727 CD2 TYR A 48 4.709 -7.974 -0.513 1.00 1.66 C ATOM 728 CE1 TYR A 48 4.946 -5.178 -0.598 1.00 2.23 C ATOM 729 CE2 TYR A 48 5.431 -7.358 -1.551 1.00 1.62 C ATOM 730 CZ TYR A 48 5.529 -5.961 -1.602 1.00 1.06 C ATOM 731 OH TYR A 48 6.205 -5.366 -2.622 1.00 1.39 O ATOM 0 H TYR A 48 4.956 -6.417 2.867 1.00 0.63 H new ATOM 0 HA TYR A 48 3.236 -8.695 3.521 1.00 0.58 H new ATOM 0 HB2 TYR A 48 2.742 -8.690 1.116 1.00 0.61 H new ATOM 0 HB3 TYR A 48 2.438 -7.105 1.798 1.00 0.61 H new ATOM 0 HD1 TYR A 48 3.982 -5.205 1.326 1.00 2.01 H new ATOM 0 HD2 TYR A 48 4.600 -9.048 -0.494 1.00 1.66 H new ATOM 0 HE1 TYR A 48 4.979 -4.100 -0.662 1.00 2.23 H new ATOM 0 HE2 TYR A 48 5.910 -7.961 -2.308 1.00 1.62 H new ATOM 0 HH TYR A 48 6.548 -6.052 -3.232 1.00 1.39 H new ATOM 741 N ASP A 49 4.538 -10.460 2.100 1.00 0.75 N ATOM 742 CA ASP A 49 5.354 -11.618 1.766 1.00 0.81 C ATOM 743 C ASP A 49 5.623 -11.617 0.248 1.00 0.71 C ATOM 744 O ASP A 49 4.753 -12.017 -0.537 1.00 0.83 O ATOM 745 CB ASP A 49 4.593 -12.873 2.207 1.00 1.18 C ATOM 746 CG ASP A 49 4.265 -12.883 3.695 1.00 2.55 C ATOM 747 OD1 ASP A 49 5.204 -12.663 4.489 1.00 3.10 O ATOM 748 OD2 ASP A 49 3.075 -13.105 4.009 1.00 3.97 O ATOM 0 H ASP A 49 3.541 -10.631 1.968 1.00 0.75 H new ATOM 0 HA ASP A 49 6.317 -11.593 2.276 1.00 0.81 H new ATOM 0 HB2 ASP A 49 3.667 -12.948 1.637 1.00 1.18 H new ATOM 0 HB3 ASP A 49 5.188 -13.754 1.966 1.00 1.18 H new ATOM 753 N PRO A 50 6.783 -11.115 -0.210 1.00 0.68 N ATOM 754 CA PRO A 50 7.009 -10.798 -1.612 1.00 0.68 C ATOM 755 C PRO A 50 6.912 -12.008 -2.536 1.00 0.77 C ATOM 756 O PRO A 50 6.479 -11.869 -3.678 1.00 1.06 O ATOM 757 CB PRO A 50 8.378 -10.113 -1.682 1.00 0.81 C ATOM 758 CG PRO A 50 9.091 -10.610 -0.425 1.00 0.92 C ATOM 759 CD PRO A 50 7.946 -10.743 0.577 1.00 0.82 C ATOM 0 HA PRO A 50 6.221 -10.139 -1.977 1.00 0.68 H new ATOM 0 HB2 PRO A 50 8.920 -10.390 -2.587 1.00 0.81 H new ATOM 0 HB3 PRO A 50 8.284 -9.027 -1.687 1.00 0.81 H new ATOM 0 HG2 PRO A 50 9.594 -11.562 -0.594 1.00 0.92 H new ATOM 0 HG3 PRO A 50 9.849 -9.905 -0.083 1.00 0.92 H new ATOM 0 HD2 PRO A 50 8.169 -11.499 1.330 1.00 0.82 H new ATOM 0 HD3 PRO A 50 7.778 -9.806 1.107 1.00 0.82 H new ATOM 767 N GLU A 51 7.305 -13.188 -2.062 1.00 0.85 N ATOM 768 CA GLU A 51 7.310 -14.401 -2.855 1.00 0.99 C ATOM 769 C GLU A 51 5.899 -14.809 -3.291 1.00 1.08 C ATOM 770 O GLU A 51 5.754 -15.453 -4.328 1.00 1.58 O ATOM 771 CB GLU A 51 7.981 -15.534 -2.065 1.00 1.24 C ATOM 772 CG GLU A 51 9.426 -15.202 -1.646 1.00 1.74 C ATOM 773 CD GLU A 51 9.551 -14.475 -0.312 1.00 2.62 C ATOM 774 OE1 GLU A 51 8.529 -13.952 0.182 1.00 4.01 O ATOM 775 OE2 GLU A 51 10.681 -14.463 0.221 1.00 2.89 O ATOM 0 H GLU A 51 7.631 -13.324 -1.105 1.00 0.85 H new ATOM 0 HA GLU A 51 7.880 -14.206 -3.763 1.00 0.99 H new ATOM 0 HB2 GLU A 51 7.390 -15.748 -1.174 1.00 1.24 H new ATOM 0 HB3 GLU A 51 7.983 -16.440 -2.671 1.00 1.24 H new ATOM 0 HG2 GLU A 51 9.997 -16.129 -1.594 1.00 1.74 H new ATOM 0 HG3 GLU A 51 9.883 -14.589 -2.423 1.00 1.74 H new ATOM 782 N ILE A 52 4.875 -14.488 -2.489 1.00 0.86 N ATOM 783 CA ILE A 52 3.528 -15.021 -2.673 1.00 0.94 C ATOM 784 C ILE A 52 2.549 -13.984 -3.220 1.00 0.97 C ATOM 785 O ILE A 52 1.915 -14.221 -4.246 1.00 1.31 O ATOM 786 CB ILE A 52 3.027 -15.722 -1.396 1.00 0.88 C ATOM 787 CG1 ILE A 52 3.165 -14.861 -0.131 1.00 0.72 C ATOM 788 CG2 ILE A 52 3.775 -17.054 -1.229 1.00 1.11 C ATOM 789 CD1 ILE A 52 2.553 -15.549 1.097 1.00 0.88 C ATOM 0 H ILE A 52 4.962 -13.852 -1.697 1.00 0.86 H new ATOM 0 HA ILE A 52 3.585 -15.786 -3.448 1.00 0.94 H new ATOM 0 HB ILE A 52 1.958 -15.898 -1.518 1.00 0.88 H new ATOM 0 HG12 ILE A 52 4.219 -14.655 0.055 1.00 0.72 H new ATOM 0 HG13 ILE A 52 2.676 -13.900 -0.290 1.00 0.72 H new ATOM 0 HG21 ILE A 52 3.426 -17.557 -0.327 1.00 1.11 H new ATOM 0 HG22 ILE A 52 3.585 -17.689 -2.095 1.00 1.11 H new ATOM 0 HG23 ILE A 52 4.845 -16.863 -1.147 1.00 1.11 H new ATOM 0 HD11 ILE A 52 2.671 -14.907 1.970 1.00 0.88 H new ATOM 0 HD12 ILE A 52 1.493 -15.731 0.921 1.00 0.88 H new ATOM 0 HD13 ILE A 52 3.060 -16.498 1.273 1.00 0.88 H new ATOM 801 N ILE A 53 2.403 -12.851 -2.537 1.00 0.81 N ATOM 802 CA ILE A 53 1.479 -11.800 -2.954 1.00 0.91 C ATOM 803 C ILE A 53 2.202 -10.883 -3.938 1.00 0.92 C ATOM 804 O ILE A 53 1.740 -10.638 -5.050 1.00 1.19 O ATOM 805 CB ILE A 53 0.864 -11.067 -1.742 1.00 0.94 C ATOM 806 CG1 ILE A 53 0.111 -9.818 -2.219 1.00 1.27 C ATOM 807 CG2 ILE A 53 1.856 -10.691 -0.638 1.00 0.88 C ATOM 808 CD1 ILE A 53 -0.681 -9.133 -1.102 1.00 1.67 C ATOM 0 H ILE A 53 2.919 -12.637 -1.684 1.00 0.81 H new ATOM 0 HA ILE A 53 0.621 -12.231 -3.470 1.00 0.91 H new ATOM 0 HB ILE A 53 0.183 -11.784 -1.283 1.00 0.94 H new ATOM 0 HG12 ILE A 53 0.824 -9.109 -2.638 1.00 1.27 H new ATOM 0 HG13 ILE A 53 -0.571 -10.097 -3.022 1.00 1.27 H new ATOM 0 HG21 ILE A 53 1.328 -10.181 0.168 1.00 0.88 H new ATOM 0 HG22 ILE A 53 2.327 -11.594 -0.249 1.00 0.88 H new ATOM 0 HG23 ILE A 53 2.621 -10.030 -1.046 1.00 0.88 H new ATOM 0 HD11 ILE A 53 -1.191 -8.257 -1.502 1.00 1.67 H new ATOM 0 HD12 ILE A 53 -1.417 -9.829 -0.698 1.00 1.67 H new ATOM 0 HD13 ILE A 53 0.000 -8.825 -0.309 1.00 1.67 H new ATOM 820 N GLY A 54 3.374 -10.410 -3.524 1.00 0.83 N ATOM 821 CA GLY A 54 4.249 -9.641 -4.379 1.00 0.83 C ATOM 822 C GLY A 54 3.797 -8.188 -4.550 1.00 0.67 C ATOM 823 O GLY A 54 2.681 -7.810 -4.191 1.00 0.73 O ATOM 0 H GLY A 54 3.737 -10.554 -2.582 1.00 0.83 H new ATOM 0 HA2 GLY A 54 5.257 -9.655 -3.964 1.00 0.83 H new ATOM 0 HA3 GLY A 54 4.300 -10.117 -5.358 1.00 0.83 H new ATOM 827 N PRO A 55 4.689 -7.359 -5.109 1.00 0.55 N ATOM 828 CA PRO A 55 4.445 -5.949 -5.371 1.00 0.57 C ATOM 829 C PRO A 55 3.270 -5.743 -6.332 1.00 0.50 C ATOM 830 O PRO A 55 2.508 -4.795 -6.178 1.00 0.52 O ATOM 831 CB PRO A 55 5.756 -5.407 -5.958 1.00 0.77 C ATOM 832 CG PRO A 55 6.489 -6.647 -6.475 1.00 0.69 C ATOM 833 CD PRO A 55 6.014 -7.762 -5.545 1.00 0.58 C ATOM 0 HA PRO A 55 4.165 -5.420 -4.460 1.00 0.57 H new ATOM 0 HB2 PRO A 55 5.566 -4.695 -6.761 1.00 0.77 H new ATOM 0 HB3 PRO A 55 6.343 -4.886 -5.202 1.00 0.77 H new ATOM 0 HG2 PRO A 55 6.236 -6.857 -7.514 1.00 0.69 H new ATOM 0 HG3 PRO A 55 7.571 -6.521 -6.429 1.00 0.69 H new ATOM 0 HD2 PRO A 55 5.983 -8.720 -6.064 1.00 0.58 H new ATOM 0 HD3 PRO A 55 6.688 -7.880 -4.697 1.00 0.58 H new ATOM 841 N ARG A 56 3.142 -6.604 -7.347 1.00 0.58 N ATOM 842 CA ARG A 56 2.167 -6.430 -8.417 1.00 0.69 C ATOM 843 C ARG A 56 0.732 -6.372 -7.884 1.00 0.63 C ATOM 844 O ARG A 56 0.045 -5.378 -8.095 1.00 0.63 O ATOM 845 CB ARG A 56 2.328 -7.545 -9.458 1.00 0.85 C ATOM 846 CG ARG A 56 3.644 -7.395 -10.232 1.00 1.59 C ATOM 847 CD ARG A 56 3.733 -8.452 -11.338 1.00 2.34 C ATOM 848 NE ARG A 56 4.963 -8.285 -12.129 1.00 3.37 N ATOM 849 CZ ARG A 56 5.304 -9.043 -13.185 1.00 4.49 C ATOM 850 NH1 ARG A 56 4.507 -10.048 -13.566 1.00 5.00 N ATOM 851 NH2 ARG A 56 6.436 -8.791 -13.852 1.00 5.66 N ATOM 0 H ARG A 56 3.715 -7.442 -7.445 1.00 0.58 H new ATOM 0 HA ARG A 56 2.361 -5.470 -8.896 1.00 0.69 H new ATOM 0 HB2 ARG A 56 2.303 -8.515 -8.962 1.00 0.85 H new ATOM 0 HB3 ARG A 56 1.489 -7.521 -10.154 1.00 0.85 H new ATOM 0 HG2 ARG A 56 3.707 -6.397 -10.667 1.00 1.59 H new ATOM 0 HG3 ARG A 56 4.489 -7.499 -9.551 1.00 1.59 H new ATOM 0 HD2 ARG A 56 3.713 -9.448 -10.896 1.00 2.34 H new ATOM 0 HD3 ARG A 56 2.863 -8.375 -11.991 1.00 2.34 H new ATOM 0 HE ARG A 56 5.603 -7.540 -11.856 1.00 3.37 H new ATOM 0 HH11 ARG A 56 3.644 -10.236 -13.055 1.00 5.00 H new ATOM 0 HH12 ARG A 56 4.762 -10.626 -14.367 1.00 5.00 H new ATOM 0 HH21 ARG A 56 7.040 -8.023 -13.559 1.00 5.66 H new ATOM 0 HH22 ARG A 56 6.695 -9.366 -14.653 1.00 5.66 H new ATOM 865 N ASP A 57 0.281 -7.438 -7.215 1.00 0.62 N ATOM 866 CA ASP A 57 -1.088 -7.572 -6.716 1.00 0.60 C ATOM 867 C ASP A 57 -1.490 -6.319 -5.935 1.00 0.54 C ATOM 868 O ASP A 57 -2.485 -5.649 -6.225 1.00 0.52 O ATOM 869 CB ASP A 57 -1.174 -8.817 -5.818 1.00 0.66 C ATOM 870 CG ASP A 57 -2.578 -9.018 -5.259 1.00 1.67 C ATOM 871 OD1 ASP A 57 -3.534 -8.658 -5.973 1.00 2.75 O ATOM 872 OD2 ASP A 57 -2.681 -9.526 -4.120 1.00 2.67 O ATOM 0 H ASP A 57 0.868 -8.244 -7.002 1.00 0.62 H new ATOM 0 HA ASP A 57 -1.775 -7.684 -7.555 1.00 0.60 H new ATOM 0 HB2 ASP A 57 -0.881 -9.698 -6.389 1.00 0.66 H new ATOM 0 HB3 ASP A 57 -0.466 -8.721 -4.995 1.00 0.66 H new ATOM 877 N ILE A 58 -0.630 -5.977 -4.975 1.00 0.51 N ATOM 878 CA ILE A 58 -0.682 -4.748 -4.208 1.00 0.41 C ATOM 879 C ILE A 58 -0.847 -3.559 -5.145 1.00 0.46 C ATOM 880 O ILE A 58 -1.911 -2.954 -5.159 1.00 0.53 O ATOM 881 CB ILE A 58 0.567 -4.674 -3.312 1.00 0.46 C ATOM 882 CG1 ILE A 58 0.468 -5.789 -2.256 1.00 0.51 C ATOM 883 CG2 ILE A 58 0.743 -3.295 -2.662 1.00 0.54 C ATOM 884 CD1 ILE A 58 1.738 -5.930 -1.425 1.00 0.73 C ATOM 0 H ILE A 58 0.150 -6.577 -4.706 1.00 0.51 H new ATOM 0 HA ILE A 58 -1.549 -4.726 -3.548 1.00 0.41 H new ATOM 0 HB ILE A 58 1.455 -4.821 -3.927 1.00 0.46 H new ATOM 0 HG12 ILE A 58 -0.373 -5.582 -1.594 1.00 0.51 H new ATOM 0 HG13 ILE A 58 0.257 -6.736 -2.753 1.00 0.51 H new ATOM 0 HG21 ILE A 58 1.639 -3.297 -2.041 1.00 0.54 H new ATOM 0 HG22 ILE A 58 0.842 -2.537 -3.439 1.00 0.54 H new ATOM 0 HG23 ILE A 58 -0.127 -3.070 -2.044 1.00 0.54 H new ATOM 0 HD11 ILE A 58 1.610 -6.731 -0.697 1.00 0.73 H new ATOM 0 HD12 ILE A 58 2.577 -6.166 -2.080 1.00 0.73 H new ATOM 0 HD13 ILE A 58 1.937 -4.994 -0.903 1.00 0.73 H new ATOM 896 N ILE A 59 0.171 -3.218 -5.930 1.00 0.47 N ATOM 897 CA ILE A 59 0.162 -2.025 -6.766 1.00 0.50 C ATOM 898 C ILE A 59 -1.106 -1.951 -7.629 1.00 0.49 C ATOM 899 O ILE A 59 -1.713 -0.888 -7.753 1.00 0.55 O ATOM 900 CB ILE A 59 1.484 -1.969 -7.561 1.00 0.57 C ATOM 901 CG1 ILE A 59 2.620 -1.545 -6.609 1.00 0.80 C ATOM 902 CG2 ILE A 59 1.409 -1.043 -8.780 1.00 0.85 C ATOM 903 CD1 ILE A 59 4.014 -1.720 -7.219 1.00 1.24 C ATOM 0 H ILE A 59 1.029 -3.765 -6.003 1.00 0.47 H new ATOM 0 HA ILE A 59 0.117 -1.127 -6.151 1.00 0.50 H new ATOM 0 HB ILE A 59 1.683 -2.964 -7.959 1.00 0.57 H new ATOM 0 HG12 ILE A 59 2.481 -0.501 -6.330 1.00 0.80 H new ATOM 0 HG13 ILE A 59 2.555 -2.131 -5.692 1.00 0.80 H new ATOM 0 HG21 ILE A 59 2.368 -1.045 -9.298 1.00 0.85 H new ATOM 0 HG22 ILE A 59 0.630 -1.395 -9.457 1.00 0.85 H new ATOM 0 HG23 ILE A 59 1.176 -0.030 -8.453 1.00 0.85 H new ATOM 0 HD11 ILE A 59 4.769 -1.404 -6.499 1.00 1.24 H new ATOM 0 HD12 ILE A 59 4.171 -2.768 -7.473 1.00 1.24 H new ATOM 0 HD13 ILE A 59 4.096 -1.112 -8.120 1.00 1.24 H new ATOM 915 N HIS A 60 -1.539 -3.081 -8.184 1.00 0.52 N ATOM 916 CA HIS A 60 -2.736 -3.151 -9.014 1.00 0.57 C ATOM 917 C HIS A 60 -3.958 -2.778 -8.177 1.00 0.45 C ATOM 918 O HIS A 60 -4.800 -1.979 -8.587 1.00 0.46 O ATOM 919 CB HIS A 60 -2.918 -4.562 -9.590 1.00 0.85 C ATOM 920 CG HIS A 60 -1.803 -5.085 -10.463 1.00 1.46 C ATOM 921 ND1 HIS A 60 -1.702 -6.385 -10.906 1.00 3.40 N ATOM 922 CD2 HIS A 60 -0.720 -4.400 -10.950 1.00 1.51 C ATOM 923 CE1 HIS A 60 -0.589 -6.474 -11.650 1.00 3.55 C ATOM 924 NE2 HIS A 60 0.051 -5.296 -11.700 1.00 2.25 N ATOM 0 H HIS A 60 -1.066 -3.977 -8.069 1.00 0.52 H new ATOM 0 HA HIS A 60 -2.627 -2.451 -9.842 1.00 0.57 H new ATOM 0 HB2 HIS A 60 -3.053 -5.254 -8.759 1.00 0.85 H new ATOM 0 HB3 HIS A 60 -3.840 -4.577 -10.170 1.00 0.85 H new ATOM 0 HD2 HIS A 60 -0.501 -3.356 -10.785 1.00 1.51 H new ATOM 0 HE1 HIS A 60 -0.253 -7.374 -12.143 1.00 3.55 H new ATOM 0 HE2 HIS A 60 0.924 -5.094 -12.187 1.00 2.25 H new ATOM 932 N THR A 61 -4.063 -3.367 -6.986 1.00 0.46 N ATOM 933 CA THR A 61 -5.200 -3.127 -6.119 1.00 0.46 C ATOM 934 C THR A 61 -5.190 -1.672 -5.651 1.00 0.41 C ATOM 935 O THR A 61 -6.218 -1.005 -5.680 1.00 0.50 O ATOM 936 CB THR A 61 -5.201 -4.133 -4.965 1.00 0.58 C ATOM 937 OG1 THR A 61 -5.167 -5.435 -5.509 1.00 0.68 O ATOM 938 CG2 THR A 61 -6.481 -3.995 -4.136 1.00 0.70 C ATOM 0 H THR A 61 -3.371 -4.013 -6.606 1.00 0.46 H new ATOM 0 HA THR A 61 -6.132 -3.279 -6.664 1.00 0.46 H new ATOM 0 HB THR A 61 -4.337 -3.946 -4.328 1.00 0.58 H new ATOM 0 HG1 THR A 61 -4.257 -5.641 -5.809 1.00 0.68 H new ATOM 0 HG21 THR A 61 -6.466 -4.717 -3.320 1.00 0.70 H new ATOM 0 HG22 THR A 61 -6.543 -2.987 -3.727 1.00 0.70 H new ATOM 0 HG23 THR A 61 -7.347 -4.183 -4.770 1.00 0.70 H new ATOM 946 N ILE A 62 -4.027 -1.165 -5.244 1.00 0.38 N ATOM 947 CA ILE A 62 -3.849 0.208 -4.804 1.00 0.47 C ATOM 948 C ILE A 62 -4.292 1.175 -5.906 1.00 0.44 C ATOM 949 O ILE A 62 -5.037 2.116 -5.629 1.00 0.52 O ATOM 950 CB ILE A 62 -2.387 0.437 -4.389 1.00 0.70 C ATOM 951 CG1 ILE A 62 -1.920 -0.469 -3.233 1.00 0.91 C ATOM 952 CG2 ILE A 62 -2.194 1.905 -4.004 1.00 0.92 C ATOM 953 CD1 ILE A 62 -2.429 -0.027 -1.870 1.00 1.42 C ATOM 0 H ILE A 62 -3.167 -1.713 -5.212 1.00 0.38 H new ATOM 0 HA ILE A 62 -4.474 0.399 -3.932 1.00 0.47 H new ATOM 0 HB ILE A 62 -1.772 0.175 -5.250 1.00 0.70 H new ATOM 0 HG12 ILE A 62 -2.255 -1.489 -3.424 1.00 0.91 H new ATOM 0 HG13 ILE A 62 -0.830 -0.489 -3.216 1.00 0.91 H new ATOM 0 HG21 ILE A 62 -1.158 2.071 -3.709 1.00 0.92 H new ATOM 0 HG22 ILE A 62 -2.434 2.540 -4.857 1.00 0.92 H new ATOM 0 HG23 ILE A 62 -2.852 2.152 -3.171 1.00 0.92 H new ATOM 0 HD11 ILE A 62 -2.061 -0.711 -1.105 1.00 1.42 H new ATOM 0 HD12 ILE A 62 -2.072 0.981 -1.658 1.00 1.42 H new ATOM 0 HD13 ILE A 62 -3.519 -0.034 -1.869 1.00 1.42 H new ATOM 965 N GLU A 63 -3.845 0.941 -7.146 1.00 0.42 N ATOM 966 CA GLU A 63 -4.291 1.683 -8.307 1.00 0.50 C ATOM 967 C GLU A 63 -5.819 1.650 -8.368 1.00 0.55 C ATOM 968 O GLU A 63 -6.473 2.689 -8.273 1.00 0.70 O ATOM 969 CB GLU A 63 -3.598 1.076 -9.532 1.00 0.56 C ATOM 970 CG GLU A 63 -3.783 1.881 -10.818 1.00 0.75 C ATOM 971 CD GLU A 63 -5.149 1.701 -11.474 1.00 2.33 C ATOM 972 OE1 GLU A 63 -5.690 0.579 -11.372 1.00 3.12 O ATOM 973 OE2 GLU A 63 -5.621 2.688 -12.076 1.00 3.62 O ATOM 0 H GLU A 63 -3.156 0.221 -7.362 1.00 0.42 H new ATOM 0 HA GLU A 63 -4.020 2.738 -8.265 1.00 0.50 H new ATOM 0 HB2 GLU A 63 -2.532 0.984 -9.324 1.00 0.56 H new ATOM 0 HB3 GLU A 63 -3.980 0.067 -9.689 1.00 0.56 H new ATOM 0 HG2 GLU A 63 -3.634 2.938 -10.597 1.00 0.75 H new ATOM 0 HG3 GLU A 63 -3.009 1.592 -11.529 1.00 0.75 H new ATOM 980 N SER A 64 -6.382 0.441 -8.437 1.00 0.53 N ATOM 981 CA SER A 64 -7.813 0.215 -8.582 1.00 0.60 C ATOM 982 C SER A 64 -8.627 0.910 -7.480 1.00 0.57 C ATOM 983 O SER A 64 -9.694 1.463 -7.744 1.00 0.66 O ATOM 984 CB SER A 64 -8.072 -1.293 -8.641 1.00 0.66 C ATOM 985 OG SER A 64 -9.425 -1.573 -8.944 1.00 1.10 O ATOM 0 H SER A 64 -5.841 -0.422 -8.392 1.00 0.53 H new ATOM 0 HA SER A 64 -8.153 0.667 -9.514 1.00 0.60 H new ATOM 0 HB2 SER A 64 -7.428 -1.745 -9.395 1.00 0.66 H new ATOM 0 HB3 SER A 64 -7.810 -1.746 -7.685 1.00 0.66 H new ATOM 0 HG SER A 64 -9.559 -2.543 -8.976 1.00 1.10 H new ATOM 991 N LEU A 65 -8.123 0.912 -6.242 1.00 0.53 N ATOM 992 CA LEU A 65 -8.762 1.578 -5.110 1.00 0.58 C ATOM 993 C LEU A 65 -8.846 3.098 -5.292 1.00 0.65 C ATOM 994 O LEU A 65 -9.603 3.743 -4.562 1.00 0.85 O ATOM 995 CB LEU A 65 -8.037 1.227 -3.802 1.00 0.63 C ATOM 996 CG LEU A 65 -8.268 -0.221 -3.343 1.00 0.91 C ATOM 997 CD1 LEU A 65 -7.225 -0.577 -2.279 1.00 1.98 C ATOM 998 CD2 LEU A 65 -9.668 -0.426 -2.753 1.00 1.52 C ATOM 0 H LEU A 65 -7.250 0.445 -5.998 1.00 0.53 H new ATOM 0 HA LEU A 65 -9.787 1.210 -5.059 1.00 0.58 H new ATOM 0 HB2 LEU A 65 -6.968 1.392 -3.933 1.00 0.63 H new ATOM 0 HB3 LEU A 65 -8.371 1.906 -3.017 1.00 0.63 H new ATOM 0 HG LEU A 65 -8.176 -0.866 -4.217 1.00 0.91 H new ATOM 0 HD11 LEU A 65 -7.380 -1.603 -1.946 1.00 1.98 H new ATOM 0 HD12 LEU A 65 -6.225 -0.480 -2.703 1.00 1.98 H new ATOM 0 HD13 LEU A 65 -7.326 0.099 -1.430 1.00 1.98 H new ATOM 0 HD21 LEU A 65 -9.784 -1.465 -2.443 1.00 1.52 H new ATOM 0 HD22 LEU A 65 -9.798 0.227 -1.890 1.00 1.52 H new ATOM 0 HD23 LEU A 65 -10.419 -0.186 -3.506 1.00 1.52 H new ATOM 1010 N GLY A 66 -8.107 3.666 -6.247 1.00 0.62 N ATOM 1011 CA GLY A 66 -8.263 5.039 -6.702 1.00 0.66 C ATOM 1012 C GLY A 66 -7.148 5.923 -6.159 1.00 0.55 C ATOM 1013 O GLY A 66 -7.416 7.007 -5.644 1.00 0.67 O ATOM 0 H GLY A 66 -7.364 3.165 -6.735 1.00 0.62 H new ATOM 0 HA2 GLY A 66 -8.257 5.068 -7.792 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -9.229 5.426 -6.378 1.00 0.66 H new ATOM 1017 N PHE A 67 -5.902 5.460 -6.290 1.00 0.45 N ATOM 1018 CA PHE A 67 -4.711 6.169 -5.848 1.00 0.45 C ATOM 1019 C PHE A 67 -3.599 5.948 -6.870 1.00 0.50 C ATOM 1020 O PHE A 67 -3.758 5.115 -7.758 1.00 0.67 O ATOM 1021 CB PHE A 67 -4.292 5.641 -4.472 1.00 0.52 C ATOM 1022 CG PHE A 67 -5.370 5.711 -3.414 1.00 0.53 C ATOM 1023 CD1 PHE A 67 -5.826 6.968 -2.989 1.00 2.02 C ATOM 1024 CD2 PHE A 67 -5.972 4.540 -2.918 1.00 1.94 C ATOM 1025 CE1 PHE A 67 -6.896 7.063 -2.088 1.00 2.05 C ATOM 1026 CE2 PHE A 67 -6.995 4.633 -1.959 1.00 1.95 C ATOM 1027 CZ PHE A 67 -7.452 5.896 -1.541 1.00 0.64 C ATOM 0 H PHE A 67 -5.695 4.558 -6.718 1.00 0.45 H new ATOM 0 HA PHE A 67 -4.911 7.237 -5.766 1.00 0.45 H new ATOM 0 HB2 PHE A 67 -3.972 4.604 -4.578 1.00 0.52 H new ATOM 0 HB3 PHE A 67 -3.427 6.208 -4.128 1.00 0.52 H new ATOM 0 HD1 PHE A 67 -5.351 7.865 -3.357 1.00 2.02 H new ATOM 0 HD2 PHE A 67 -5.649 3.573 -3.273 1.00 1.94 H new ATOM 0 HE1 PHE A 67 -7.291 8.031 -1.816 1.00 2.05 H new ATOM 0 HE2 PHE A 67 -7.430 3.736 -1.543 1.00 1.95 H new ATOM 0 HZ PHE A 67 -8.232 5.968 -0.798 1.00 0.64 H new ATOM 1037 N GLU A 68 -2.475 6.662 -6.741 1.00 0.50 N ATOM 1038 CA GLU A 68 -1.366 6.574 -7.689 1.00 0.55 C ATOM 1039 C GLU A 68 -0.127 5.885 -7.098 1.00 0.55 C ATOM 1040 O GLU A 68 0.806 6.586 -6.710 1.00 0.70 O ATOM 1041 CB GLU A 68 -1.001 7.978 -8.188 1.00 0.73 C ATOM 1042 CG GLU A 68 -2.169 8.755 -8.815 1.00 1.77 C ATOM 1043 CD GLU A 68 -1.707 10.127 -9.284 1.00 2.63 C ATOM 1044 OE1 GLU A 68 -0.481 10.346 -9.364 1.00 2.95 O ATOM 1045 OE2 GLU A 68 -2.547 11.027 -9.487 1.00 3.89 O ATOM 0 H GLU A 68 -2.312 7.316 -5.976 1.00 0.50 H new ATOM 0 HA GLU A 68 -1.702 5.955 -8.521 1.00 0.55 H new ATOM 0 HB2 GLU A 68 -0.604 8.555 -7.353 1.00 0.73 H new ATOM 0 HB3 GLU A 68 -0.202 7.892 -8.924 1.00 0.73 H new ATOM 0 HG2 GLU A 68 -2.576 8.195 -9.657 1.00 1.77 H new ATOM 0 HG3 GLU A 68 -2.973 8.865 -8.087 1.00 1.77 H new ATOM 1052 N PRO A 69 -0.076 4.543 -7.026 1.00 0.53 N ATOM 1053 CA PRO A 69 1.064 3.842 -6.460 1.00 0.63 C ATOM 1054 C PRO A 69 2.317 4.021 -7.321 1.00 0.71 C ATOM 1055 O PRO A 69 2.311 3.676 -8.501 1.00 1.25 O ATOM 1056 CB PRO A 69 0.657 2.373 -6.345 1.00 0.69 C ATOM 1057 CG PRO A 69 -0.458 2.217 -7.372 1.00 0.62 C ATOM 1058 CD PRO A 69 -1.098 3.602 -7.457 1.00 0.54 C ATOM 0 HA PRO A 69 1.323 4.246 -5.481 1.00 0.63 H new ATOM 0 HB2 PRO A 69 1.494 1.709 -6.561 1.00 0.69 H new ATOM 0 HB3 PRO A 69 0.310 2.133 -5.340 1.00 0.69 H new ATOM 0 HG2 PRO A 69 -0.066 1.901 -8.339 1.00 0.62 H new ATOM 0 HG3 PRO A 69 -1.182 1.464 -7.060 1.00 0.62 H new ATOM 0 HD2 PRO A 69 -1.424 3.819 -8.474 1.00 0.54 H new ATOM 0 HD3 PRO A 69 -1.980 3.664 -6.819 1.00 0.54 H new ATOM 1066 N SER A 70 3.404 4.527 -6.731 1.00 0.84 N ATOM 1067 CA SER A 70 4.709 4.606 -7.372 1.00 0.95 C ATOM 1068 C SER A 70 5.800 4.470 -6.311 1.00 0.77 C ATOM 1069 O SER A 70 5.590 4.809 -5.148 1.00 0.89 O ATOM 1070 CB SER A 70 4.828 5.917 -8.152 1.00 1.33 C ATOM 1071 OG SER A 70 6.061 5.951 -8.846 1.00 2.71 O ATOM 0 H SER A 70 3.396 4.897 -5.781 1.00 0.84 H new ATOM 0 HA SER A 70 4.828 3.791 -8.086 1.00 0.95 H new ATOM 0 HB2 SER A 70 4.001 6.008 -8.856 1.00 1.33 H new ATOM 0 HB3 SER A 70 4.761 6.764 -7.470 1.00 1.33 H new ATOM 0 HG SER A 70 6.132 6.791 -9.345 1.00 2.71 H new ATOM 1077 N LEU A 71 6.978 3.971 -6.686 1.00 0.92 N ATOM 1078 CA LEU A 71 7.996 3.498 -5.743 1.00 0.94 C ATOM 1079 C LEU A 71 8.898 4.638 -5.270 1.00 1.10 C ATOM 1080 O LEU A 71 10.107 4.482 -5.099 1.00 2.24 O ATOM 1081 CB LEU A 71 8.786 2.354 -6.390 1.00 1.13 C ATOM 1082 CG LEU A 71 7.855 1.161 -6.653 1.00 1.99 C ATOM 1083 CD1 LEU A 71 8.405 0.300 -7.795 1.00 2.96 C ATOM 1084 CD2 LEU A 71 7.692 0.296 -5.399 1.00 3.28 C ATOM 0 H LEU A 71 7.257 3.882 -7.663 1.00 0.92 H new ATOM 0 HA LEU A 71 7.509 3.116 -4.846 1.00 0.94 H new ATOM 0 HB2 LEU A 71 9.232 2.692 -7.325 1.00 1.13 H new ATOM 0 HB3 LEU A 71 9.605 2.051 -5.737 1.00 1.13 H new ATOM 0 HG LEU A 71 6.879 1.559 -6.931 1.00 1.99 H new ATOM 0 HD11 LEU A 71 7.735 -0.542 -7.971 1.00 2.96 H new ATOM 0 HD12 LEU A 71 8.478 0.901 -8.701 1.00 2.96 H new ATOM 0 HD13 LEU A 71 9.393 -0.073 -7.526 1.00 2.96 H new ATOM 0 HD21 LEU A 71 7.027 -0.540 -5.617 1.00 3.28 H new ATOM 0 HD22 LEU A 71 8.666 -0.085 -5.091 1.00 3.28 H new ATOM 0 HD23 LEU A 71 7.267 0.897 -4.595 1.00 3.28 H new ATOM 1096 N VAL A 72 8.284 5.791 -5.021 1.00 1.74 N ATOM 1097 CA VAL A 72 8.975 6.998 -4.586 1.00 2.07 C ATOM 1098 C VAL A 72 9.236 6.890 -3.080 1.00 2.24 C ATOM 1099 O VAL A 72 8.643 7.590 -2.264 1.00 3.92 O ATOM 1100 CB VAL A 72 8.190 8.256 -5.011 1.00 3.68 C ATOM 1101 CG1 VAL A 72 9.007 9.529 -4.760 1.00 4.64 C ATOM 1102 CG2 VAL A 72 7.822 8.209 -6.501 1.00 4.87 C ATOM 0 H VAL A 72 7.276 5.914 -5.118 1.00 1.74 H new ATOM 0 HA VAL A 72 9.945 7.097 -5.074 1.00 2.07 H new ATOM 0 HB VAL A 72 7.281 8.274 -4.409 1.00 3.68 H new ATOM 0 HG11 VAL A 72 8.428 10.400 -5.069 1.00 4.64 H new ATOM 0 HG12 VAL A 72 9.242 9.607 -3.698 1.00 4.64 H new ATOM 0 HG13 VAL A 72 9.933 9.486 -5.334 1.00 4.64 H new ATOM 0 HG21 VAL A 72 7.270 9.110 -6.768 1.00 4.87 H new ATOM 0 HG22 VAL A 72 8.732 8.151 -7.099 1.00 4.87 H new ATOM 0 HG23 VAL A 72 7.203 7.333 -6.695 1.00 4.87 H new ATOM 1112 N LYS A 73 10.122 5.963 -2.705 1.00 1.67 N ATOM 1113 CA LYS A 73 10.492 5.711 -1.316 1.00 2.73 C ATOM 1114 C LYS A 73 11.000 6.983 -0.622 1.00 3.47 C ATOM 1115 O LYS A 73 10.711 7.215 0.554 1.00 4.29 O ATOM 1116 CB LYS A 73 11.504 4.557 -1.248 1.00 3.09 C ATOM 1117 CG LYS A 73 12.800 4.813 -2.033 1.00 3.56 C ATOM 1118 CD LYS A 73 13.695 3.569 -1.974 1.00 4.27 C ATOM 1119 CE LYS A 73 14.999 3.819 -2.745 1.00 5.17 C ATOM 1120 NZ LYS A 73 15.892 2.643 -2.722 1.00 5.89 N ATOM 0 H LYS A 73 10.607 5.360 -3.369 1.00 1.67 H new ATOM 0 HA LYS A 73 9.602 5.409 -0.765 1.00 2.73 H new ATOM 0 HB2 LYS A 73 11.755 4.369 -0.204 1.00 3.09 H new ATOM 0 HB3 LYS A 73 11.033 3.652 -1.631 1.00 3.09 H new ATOM 0 HG2 LYS A 73 12.567 5.056 -3.070 1.00 3.56 H new ATOM 0 HG3 LYS A 73 13.326 5.671 -1.615 1.00 3.56 H new ATOM 0 HD2 LYS A 73 13.919 3.322 -0.936 1.00 4.27 H new ATOM 0 HD3 LYS A 73 13.170 2.714 -2.400 1.00 4.27 H new ATOM 0 HE2 LYS A 73 14.765 4.076 -3.778 1.00 5.17 H new ATOM 0 HE3 LYS A 73 15.517 4.675 -2.313 1.00 5.17 H new ATOM 0 HZ1 LYS A 73 16.760 2.856 -3.254 1.00 5.89 H new ATOM 0 HZ2 LYS A 73 16.137 2.412 -1.738 1.00 5.89 H new ATOM 0 HZ3 LYS A 73 15.409 1.832 -3.158 1.00 5.89 H new ATOM 1134 N ILE A 74 11.748 7.805 -1.357 1.00 3.86 N ATOM 1135 CA ILE A 74 12.156 9.145 -0.970 1.00 5.01 C ATOM 1136 C ILE A 74 11.959 10.025 -2.201 1.00 5.67 C ATOM 1137 O ILE A 74 11.854 9.492 -3.307 1.00 5.64 O ATOM 1138 CB ILE A 74 13.611 9.165 -0.459 1.00 5.45 C ATOM 1139 CG1 ILE A 74 14.649 8.706 -1.504 1.00 5.37 C ATOM 1140 CG2 ILE A 74 13.750 8.304 0.802 1.00 6.08 C ATOM 1141 CD1 ILE A 74 15.274 9.888 -2.249 1.00 6.42 C ATOM 0 H ILE A 74 12.099 7.539 -2.277 1.00 3.86 H new ATOM 0 HA ILE A 74 11.558 9.518 -0.139 1.00 5.01 H new ATOM 0 HB ILE A 74 13.827 10.210 -0.236 1.00 5.45 H new ATOM 0 HG12 ILE A 74 15.434 8.134 -1.009 1.00 5.37 H new ATOM 0 HG13 ILE A 74 14.171 8.038 -2.220 1.00 5.37 H new ATOM 0 HG21 ILE A 74 14.783 8.330 1.148 1.00 6.08 H new ATOM 0 HG22 ILE A 74 13.096 8.693 1.582 1.00 6.08 H new ATOM 0 HG23 ILE A 74 13.470 7.276 0.573 1.00 6.08 H new ATOM 0 HD11 ILE A 74 15.999 9.519 -2.975 1.00 6.42 H new ATOM 0 HD12 ILE A 74 14.494 10.445 -2.767 1.00 6.42 H new ATOM 0 HD13 ILE A 74 15.776 10.543 -1.537 1.00 6.42 H new ATOM 1153 N GLU A 75 11.912 11.341 -2.000 1.00 6.82 N ATOM 1154 CA GLU A 75 11.798 12.366 -3.015 1.00 8.03 C ATOM 1155 C GLU A 75 12.595 13.538 -2.433 1.00 8.77 C ATOM 1156 O GLU A 75 13.106 14.361 -3.222 1.00 9.58 O ATOM 1157 CB GLU A 75 10.311 12.706 -3.224 1.00 9.09 C ATOM 1158 CG GLU A 75 10.021 13.299 -4.611 1.00 10.34 C ATOM 1159 CD GLU A 75 8.533 13.544 -4.855 1.00 11.70 C ATOM 1160 OE1 GLU A 75 7.717 13.004 -4.077 1.00 11.97 O ATOM 1161 OE2 GLU A 75 8.233 14.257 -5.838 1.00 12.70 O ATOM 1162 OXT GLU A 75 12.715 13.543 -1.182 1.00 8.93 O ATOM 0 H GLU A 75 11.956 11.736 -1.061 1.00 6.82 H new ATOM 0 HA GLU A 75 12.178 12.078 -3.995 1.00 8.03 H new ATOM 0 HB2 GLU A 75 9.715 11.803 -3.089 1.00 9.09 H new ATOM 0 HB3 GLU A 75 9.995 13.415 -2.458 1.00 9.09 H new ATOM 0 HG2 GLU A 75 10.561 14.240 -4.718 1.00 10.34 H new ATOM 0 HG3 GLU A 75 10.403 12.623 -5.376 1.00 10.34 H new TER 1169 GLU A 75