USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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 41 THR OG1 : rot -100:sc= 1.05 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 29 HIS : no HE2:sc= -0.307 K(o=0.83,f=0.044) USER MOD Set 2.2: A 61 THR OG1 : rot 72:sc= 1.14 USER MOD Set 3.1: A 24 SER OG : rot 180:sc= 1.07 USER MOD Set 3.2: A 28 LYS NZ :NH3+ 157:sc= 2.48 (180deg=1.05) USER MOD Set 4.1: A 27 THR OG1 : rot -28:sc= 0.345 USER MOD Set 4.2: A 35 CYS SG : rot 177:sc= 1 USER MOD Set 5.1: A 15 CYS SG : rot 180:sc= 0.109 USER MOD Set 5.2: A 17 SER OG : rot 99:sc= 0.357 USER MOD Set 5.3: A 18 CYS SG : rot 144:sc= 0.0431 USER MOD Single : A 13 MET CE :methyl -139:sc= 0 (180deg=-0.189) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00268 X(o=-0.0027,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 30:sc= 1.24 USER MOD Single : A 42 ASN : amide:sc= -0.413 K(o=-0.41,f=-10!) USER MOD Single : A 45 HIS : no HE2:sc= 0.589 K(o=0.59,f=-6.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 0:sc=-0.00152 USER MOD Single : A 60 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.026) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -3.219 -12.766 -1.615 1.00 1.25 N ATOM 40 CA GLY A 4 -4.560 -12.238 -1.463 1.00 1.86 C ATOM 41 C GLY A 4 -4.523 -10.882 -0.767 1.00 1.59 C ATOM 42 O GLY A 4 -4.911 -9.882 -1.365 1.00 1.84 O ATOM 0 HA2 GLY A 4 -5.031 -12.139 -2.441 1.00 1.86 H new ATOM 0 HA3 GLY A 4 -5.168 -12.934 -0.885 1.00 1.86 H new ATOM 46 N VAL A 5 -4.072 -10.854 0.491 1.00 1.35 N ATOM 47 CA VAL A 5 -4.021 -9.685 1.357 1.00 1.19 C ATOM 48 C VAL A 5 -2.581 -9.397 1.779 1.00 1.17 C ATOM 49 O VAL A 5 -1.850 -10.313 2.149 1.00 1.54 O ATOM 50 CB VAL A 5 -4.959 -9.888 2.564 1.00 1.37 C ATOM 51 CG1 VAL A 5 -4.740 -11.220 3.296 1.00 1.71 C ATOM 52 CG2 VAL A 5 -4.827 -8.742 3.574 1.00 2.14 C ATOM 0 H VAL A 5 -3.716 -11.692 0.951 1.00 1.35 H new ATOM 0 HA VAL A 5 -4.372 -8.809 0.812 1.00 1.19 H new ATOM 0 HB VAL A 5 -5.963 -9.902 2.141 1.00 1.37 H new ATOM 0 HG11 VAL A 5 -5.434 -11.294 4.133 1.00 1.71 H new ATOM 0 HG12 VAL A 5 -4.913 -12.047 2.607 1.00 1.71 H new ATOM 0 HG13 VAL A 5 -3.717 -11.267 3.668 1.00 1.71 H new ATOM 0 HG21 VAL A 5 -5.502 -8.916 4.412 1.00 2.14 H new ATOM 0 HG22 VAL A 5 -3.801 -8.694 3.938 1.00 2.14 H new ATOM 0 HG23 VAL A 5 -5.085 -7.800 3.091 1.00 2.14 H new ATOM 62 N LEU A 6 -2.180 -8.123 1.743 1.00 0.99 N ATOM 63 CA LEU A 6 -0.877 -7.675 2.175 1.00 1.06 C ATOM 64 C LEU A 6 -1.004 -6.258 2.739 1.00 0.99 C ATOM 65 O LEU A 6 -1.290 -5.312 2.003 1.00 1.25 O ATOM 66 CB LEU A 6 0.057 -7.724 0.966 1.00 1.28 C ATOM 67 CG LEU A 6 1.527 -7.956 1.315 1.00 1.51 C ATOM 68 CD1 LEU A 6 2.067 -7.009 2.391 1.00 2.01 C ATOM 69 CD2 LEU A 6 1.805 -9.419 1.683 1.00 3.14 C ATOM 0 H LEU A 6 -2.774 -7.367 1.403 1.00 0.99 H new ATOM 0 HA LEU A 6 -0.469 -8.311 2.961 1.00 1.06 H new ATOM 0 HB2 LEU A 6 -0.275 -8.518 0.297 1.00 1.28 H new ATOM 0 HB3 LEU A 6 -0.030 -6.787 0.416 1.00 1.28 H new ATOM 0 HG LEU A 6 2.074 -7.721 0.402 1.00 1.51 H new ATOM 0 HD11 LEU A 6 3.116 -7.237 2.583 1.00 2.01 H new ATOM 0 HD12 LEU A 6 1.976 -5.979 2.048 1.00 2.01 H new ATOM 0 HD13 LEU A 6 1.494 -7.137 3.309 1.00 2.01 H new ATOM 0 HD21 LEU A 6 2.861 -9.539 1.924 1.00 3.14 H new ATOM 0 HD22 LEU A 6 1.202 -9.698 2.547 1.00 3.14 H new ATOM 0 HD23 LEU A 6 1.550 -10.061 0.840 1.00 3.14 H new ATOM 81 N GLU A 7 -0.791 -6.111 4.049 1.00 0.97 N ATOM 82 CA GLU A 7 -0.745 -4.813 4.703 1.00 1.10 C ATOM 83 C GLU A 7 0.693 -4.444 5.024 1.00 1.02 C ATOM 84 O GLU A 7 1.312 -5.091 5.875 1.00 1.17 O ATOM 85 CB GLU A 7 -1.633 -4.716 5.948 1.00 1.49 C ATOM 86 CG GLU A 7 -2.474 -5.963 6.200 1.00 1.79 C ATOM 87 CD GLU A 7 -3.061 -5.876 7.588 1.00 2.13 C ATOM 88 OE1 GLU A 7 -2.242 -6.119 8.508 1.00 2.72 O ATOM 89 OE2 GLU A 7 -4.254 -5.514 7.679 1.00 2.95 O ATOM 0 H GLU A 7 -0.646 -6.896 4.683 1.00 0.97 H new ATOM 0 HA GLU A 7 -1.158 -4.092 3.997 1.00 1.10 H new ATOM 0 HB2 GLU A 7 -1.004 -4.531 6.819 1.00 1.49 H new ATOM 0 HB3 GLU A 7 -2.295 -3.857 5.845 1.00 1.49 H new ATOM 0 HG2 GLU A 7 -3.268 -6.040 5.458 1.00 1.79 H new ATOM 0 HG3 GLU A 7 -1.860 -6.859 6.104 1.00 1.79 H new ATOM 96 N LEU A 8 1.184 -3.398 4.364 1.00 1.09 N ATOM 97 CA LEU A 8 2.470 -2.787 4.649 1.00 1.06 C ATOM 98 C LEU A 8 2.268 -1.750 5.754 1.00 0.78 C ATOM 99 O LEU A 8 1.164 -1.227 5.903 1.00 0.73 O ATOM 100 CB LEU A 8 2.996 -2.105 3.374 1.00 1.36 C ATOM 101 CG LEU A 8 3.058 -3.018 2.138 1.00 1.26 C ATOM 102 CD1 LEU A 8 3.372 -2.186 0.890 1.00 2.26 C ATOM 103 CD2 LEU A 8 4.119 -4.107 2.308 1.00 2.51 C ATOM 0 H LEU A 8 0.684 -2.945 3.599 1.00 1.09 H new ATOM 0 HA LEU A 8 3.193 -3.536 4.972 1.00 1.06 H new ATOM 0 HB2 LEU A 8 2.359 -1.250 3.146 1.00 1.36 H new ATOM 0 HB3 LEU A 8 3.995 -1.715 3.572 1.00 1.36 H new ATOM 0 HG LEU A 8 2.086 -3.499 2.024 1.00 1.26 H new ATOM 0 HD11 LEU A 8 3.414 -2.839 0.018 1.00 2.26 H new ATOM 0 HD12 LEU A 8 2.592 -1.438 0.746 1.00 2.26 H new ATOM 0 HD13 LEU A 8 4.333 -1.688 1.017 1.00 2.26 H new ATOM 0 HD21 LEU A 8 4.140 -4.737 1.419 1.00 2.51 H new ATOM 0 HD22 LEU A 8 5.096 -3.644 2.448 1.00 2.51 H new ATOM 0 HD23 LEU A 8 3.878 -4.717 3.179 1.00 2.51 H new ATOM 115 N VAL A 9 3.329 -1.410 6.489 1.00 0.79 N ATOM 116 CA VAL A 9 3.486 -0.079 7.044 1.00 0.78 C ATOM 117 C VAL A 9 3.997 0.790 5.893 1.00 0.78 C ATOM 118 O VAL A 9 4.772 0.294 5.074 1.00 1.02 O ATOM 119 CB VAL A 9 4.420 -0.096 8.273 1.00 0.81 C ATOM 120 CG1 VAL A 9 5.312 1.144 8.383 1.00 0.85 C ATOM 121 CG2 VAL A 9 3.589 -0.191 9.563 1.00 0.85 C ATOM 0 H VAL A 9 4.093 -2.049 6.710 1.00 0.79 H new ATOM 0 HA VAL A 9 2.549 0.328 7.426 1.00 0.78 H new ATOM 0 HB VAL A 9 5.065 -0.965 8.142 1.00 0.81 H new ATOM 0 HG11 VAL A 9 5.941 1.062 9.270 1.00 0.85 H new ATOM 0 HG12 VAL A 9 5.942 1.219 7.497 1.00 0.85 H new ATOM 0 HG13 VAL A 9 4.689 2.035 8.461 1.00 0.85 H new ATOM 0 HG21 VAL A 9 4.256 -0.202 10.425 1.00 0.85 H new ATOM 0 HG22 VAL A 9 2.923 0.669 9.631 1.00 0.85 H new ATOM 0 HG23 VAL A 9 2.998 -1.107 9.549 1.00 0.85 H new ATOM 131 N VAL A 10 3.535 2.042 5.810 1.00 0.67 N ATOM 132 CA VAL A 10 3.923 3.035 4.833 1.00 0.69 C ATOM 133 C VAL A 10 4.150 4.340 5.595 1.00 0.71 C ATOM 134 O VAL A 10 3.205 4.884 6.166 1.00 0.98 O ATOM 135 CB VAL A 10 2.801 3.162 3.788 1.00 0.77 C ATOM 136 CG1 VAL A 10 3.030 4.368 2.877 1.00 1.97 C ATOM 137 CG2 VAL A 10 2.725 1.891 2.935 1.00 2.01 C ATOM 0 H VAL A 10 2.840 2.399 6.466 1.00 0.67 H new ATOM 0 HA VAL A 10 4.836 2.766 4.301 1.00 0.69 H new ATOM 0 HB VAL A 10 1.862 3.301 4.324 1.00 0.77 H new ATOM 0 HG11 VAL A 10 2.222 4.433 2.149 1.00 1.97 H new ATOM 0 HG12 VAL A 10 3.052 5.278 3.477 1.00 1.97 H new ATOM 0 HG13 VAL A 10 3.980 4.255 2.355 1.00 1.97 H new ATOM 0 HG21 VAL A 10 1.927 1.994 2.199 1.00 2.01 H new ATOM 0 HG22 VAL A 10 3.675 1.740 2.422 1.00 2.01 H new ATOM 0 HG23 VAL A 10 2.519 1.034 3.576 1.00 2.01 H new ATOM 147 N ARG A 11 5.385 4.834 5.636 1.00 0.67 N ATOM 148 CA ARG A 11 5.760 6.077 6.296 1.00 0.74 C ATOM 149 C ARG A 11 6.140 7.138 5.262 1.00 0.77 C ATOM 150 O ARG A 11 6.208 6.870 4.063 1.00 1.09 O ATOM 151 CB ARG A 11 6.876 5.794 7.314 1.00 0.81 C ATOM 152 CG ARG A 11 6.359 4.781 8.340 1.00 1.53 C ATOM 153 CD ARG A 11 7.335 4.516 9.494 1.00 2.00 C ATOM 154 NE ARG A 11 6.668 3.720 10.541 1.00 3.45 N ATOM 155 CZ ARG A 11 5.648 4.181 11.285 1.00 5.02 C ATOM 156 NH1 ARG A 11 5.454 5.496 11.403 1.00 5.64 N ATOM 157 NH2 ARG A 11 4.785 3.346 11.872 1.00 6.57 N ATOM 0 H ARG A 11 6.176 4.363 5.196 1.00 0.67 H new ATOM 0 HA ARG A 11 4.912 6.483 6.848 1.00 0.74 H new ATOM 0 HB2 ARG A 11 7.759 5.403 6.808 1.00 0.81 H new ATOM 0 HB3 ARG A 11 7.176 6.716 7.812 1.00 0.81 H new ATOM 0 HG2 ARG A 11 5.416 5.142 8.750 1.00 1.53 H new ATOM 0 HG3 ARG A 11 6.147 3.840 7.833 1.00 1.53 H new ATOM 0 HD2 ARG A 11 8.213 3.985 9.125 1.00 2.00 H new ATOM 0 HD3 ARG A 11 7.685 5.461 9.910 1.00 2.00 H new ATOM 0 HE ARG A 11 6.998 2.770 10.709 1.00 3.45 H new ATOM 0 HH11 ARG A 11 6.079 6.148 10.929 1.00 5.64 H new ATOM 0 HH12 ARG A 11 4.681 5.849 11.967 1.00 5.64 H new ATOM 0 HH21 ARG A 11 4.894 2.338 11.759 1.00 6.57 H new ATOM 0 HH22 ARG A 11 4.018 3.717 12.433 1.00 6.57 H new ATOM 171 N GLY A 12 6.326 8.380 5.714 1.00 0.94 N ATOM 172 CA GLY A 12 6.559 9.519 4.836 1.00 1.08 C ATOM 173 C GLY A 12 5.245 10.224 4.505 1.00 1.12 C ATOM 174 O GLY A 12 5.162 11.442 4.626 1.00 1.30 O ATOM 0 H GLY A 12 6.318 8.621 6.705 1.00 0.94 H new ATOM 0 HA2 GLY A 12 7.243 10.220 5.315 1.00 1.08 H new ATOM 0 HA3 GLY A 12 7.039 9.184 3.917 1.00 1.08 H new ATOM 178 N MET A 13 4.211 9.464 4.117 1.00 1.37 N ATOM 179 CA MET A 13 2.914 10.005 3.714 1.00 1.53 C ATOM 180 C MET A 13 2.350 10.980 4.751 1.00 1.38 C ATOM 181 O MET A 13 1.884 12.066 4.433 1.00 2.92 O ATOM 182 CB MET A 13 1.956 8.850 3.382 1.00 1.89 C ATOM 183 CG MET A 13 1.477 8.011 4.572 1.00 0.96 C ATOM 184 SD MET A 13 0.420 6.615 4.111 1.00 1.48 S ATOM 185 CE MET A 13 0.009 5.991 5.752 1.00 1.22 C ATOM 0 H MET A 13 4.257 8.446 4.075 1.00 1.37 H new ATOM 0 HA MET A 13 3.042 10.600 2.810 1.00 1.53 H new ATOM 0 HB2 MET A 13 1.082 9.263 2.879 1.00 1.89 H new ATOM 0 HB3 MET A 13 2.450 8.187 2.671 1.00 1.89 H new ATOM 0 HG2 MET A 13 2.346 7.633 5.110 1.00 0.96 H new ATOM 0 HG3 MET A 13 0.931 8.655 5.261 1.00 0.96 H new ATOM 0 HE1 MET A 13 0.037 4.901 5.745 1.00 1.22 H new ATOM 0 HE2 MET A 13 0.732 6.368 6.476 1.00 1.22 H new ATOM 0 HE3 MET A 13 -0.991 6.326 6.029 1.00 1.22 H new ATOM 195 N THR A 14 2.422 10.574 6.012 1.00 1.77 N ATOM 196 CA THR A 14 1.994 11.310 7.197 1.00 2.09 C ATOM 197 C THR A 14 0.504 11.714 7.221 1.00 2.15 C ATOM 198 O THR A 14 -0.210 11.259 8.112 1.00 3.20 O ATOM 199 CB THR A 14 2.995 12.423 7.585 1.00 2.39 C ATOM 200 OG1 THR A 14 2.684 12.888 8.882 1.00 3.21 O ATOM 201 CG2 THR A 14 3.106 13.634 6.652 1.00 2.14 C ATOM 0 H THR A 14 2.807 9.660 6.251 1.00 1.77 H new ATOM 0 HA THR A 14 2.031 10.593 8.017 1.00 2.09 H new ATOM 0 HB THR A 14 3.967 11.935 7.513 1.00 2.39 H new ATOM 0 HG1 THR A 14 3.315 13.593 9.137 1.00 3.21 H new ATOM 0 HG21 THR A 14 3.844 14.332 7.048 1.00 2.14 H new ATOM 0 HG22 THR A 14 3.415 13.302 5.661 1.00 2.14 H new ATOM 0 HG23 THR A 14 2.138 14.130 6.583 1.00 2.14 H new ATOM 209 N CYS A 15 0.017 12.556 6.298 1.00 1.31 N ATOM 210 CA CYS A 15 -1.250 13.269 6.429 1.00 1.24 C ATOM 211 C CYS A 15 -2.317 12.767 5.454 1.00 0.97 C ATOM 212 O CYS A 15 -2.019 12.120 4.445 1.00 0.71 O ATOM 213 CB CYS A 15 -1.013 14.780 6.282 1.00 1.44 C ATOM 214 SG CYS A 15 -0.844 15.426 4.595 1.00 1.19 S ATOM 0 H CYS A 15 0.506 12.760 5.426 1.00 1.31 H new ATOM 0 HA CYS A 15 -1.643 13.067 7.425 1.00 1.24 H new ATOM 0 HB2 CYS A 15 -1.841 15.301 6.763 1.00 1.44 H new ATOM 0 HB3 CYS A 15 -0.110 15.037 6.835 1.00 1.44 H new ATOM 0 HG CYS A 15 -0.652 16.711 4.640 1.00 1.19 H new ATOM 219 N ALA A 16 -3.575 13.104 5.768 1.00 1.11 N ATOM 220 CA ALA A 16 -4.765 12.754 4.999 1.00 1.02 C ATOM 221 C ALA A 16 -4.535 12.930 3.501 1.00 0.92 C ATOM 222 O ALA A 16 -4.854 12.039 2.716 1.00 0.85 O ATOM 223 CB ALA A 16 -5.951 13.614 5.442 1.00 1.22 C ATOM 0 H ALA A 16 -3.795 13.651 6.601 1.00 1.11 H new ATOM 0 HA ALA A 16 -4.984 11.703 5.189 1.00 1.02 H new ATOM 0 HB1 ALA A 16 -6.833 13.344 4.861 1.00 1.22 H new ATOM 0 HB2 ALA A 16 -6.148 13.445 6.501 1.00 1.22 H new ATOM 0 HB3 ALA A 16 -5.718 14.666 5.280 1.00 1.22 H new ATOM 229 N SER A 17 -3.983 14.084 3.122 1.00 0.96 N ATOM 230 CA SER A 17 -3.685 14.455 1.754 1.00 0.97 C ATOM 231 C SER A 17 -2.877 13.369 1.044 1.00 0.76 C ATOM 232 O SER A 17 -3.197 13.000 -0.083 1.00 0.99 O ATOM 233 CB SER A 17 -2.923 15.784 1.774 1.00 1.19 C ATOM 234 OG SER A 17 -3.446 16.610 2.800 1.00 2.39 O ATOM 0 H SER A 17 -3.725 14.808 3.792 1.00 0.96 H new ATOM 0 HA SER A 17 -4.614 14.567 1.195 1.00 0.97 H new ATOM 0 HB2 SER A 17 -1.861 15.605 1.942 1.00 1.19 H new ATOM 0 HB3 SER A 17 -3.013 16.282 0.809 1.00 1.19 H new ATOM 0 HG SER A 17 -2.869 16.554 3.591 1.00 2.39 H new ATOM 240 N CYS A 18 -1.809 12.877 1.676 1.00 0.52 N ATOM 241 CA CYS A 18 -1.038 11.791 1.103 1.00 0.47 C ATOM 242 C CYS A 18 -1.803 10.475 1.194 1.00 0.44 C ATOM 243 O CYS A 18 -1.808 9.708 0.237 1.00 0.47 O ATOM 244 CB CYS A 18 0.331 11.715 1.755 1.00 0.73 C ATOM 245 SG CYS A 18 1.287 13.246 1.587 1.00 0.95 S ATOM 0 H CYS A 18 -1.467 13.215 2.576 1.00 0.52 H new ATOM 0 HA CYS A 18 -0.880 11.988 0.043 1.00 0.47 H new ATOM 0 HB2 CYS A 18 0.210 11.484 2.813 1.00 0.73 H new ATOM 0 HB3 CYS A 18 0.893 10.893 1.311 1.00 0.73 H new ATOM 0 HG CYS A 18 1.979 13.446 2.669 1.00 0.95 H new ATOM 250 N VAL A 19 -2.442 10.201 2.333 1.00 0.53 N ATOM 251 CA VAL A 19 -3.203 8.972 2.524 1.00 0.61 C ATOM 252 C VAL A 19 -4.205 8.775 1.378 1.00 0.57 C ATOM 253 O VAL A 19 -4.086 7.820 0.611 1.00 0.51 O ATOM 254 CB VAL A 19 -3.855 8.967 3.921 1.00 0.93 C ATOM 255 CG1 VAL A 19 -4.842 7.812 4.123 1.00 1.04 C ATOM 256 CG2 VAL A 19 -2.777 8.849 5.008 1.00 1.17 C ATOM 0 H VAL A 19 -2.445 10.822 3.142 1.00 0.53 H new ATOM 0 HA VAL A 19 -2.534 8.112 2.489 1.00 0.61 H new ATOM 0 HB VAL A 19 -4.402 9.907 3.996 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -5.265 7.866 5.126 1.00 1.04 H new ATOM 0 HG12 VAL A 19 -5.643 7.885 3.387 1.00 1.04 H new ATOM 0 HG13 VAL A 19 -4.321 6.862 4.000 1.00 1.04 H new ATOM 0 HG21 VAL A 19 -3.249 8.847 5.990 1.00 1.17 H new ATOM 0 HG22 VAL A 19 -2.221 7.921 4.870 1.00 1.17 H new ATOM 0 HG23 VAL A 19 -2.094 9.695 4.936 1.00 1.17 H new ATOM 266 N HIS A 20 -5.194 9.660 1.222 1.00 0.76 N ATOM 267 CA HIS A 20 -6.241 9.414 0.231 1.00 0.94 C ATOM 268 C HIS A 20 -5.692 9.474 -1.203 1.00 0.93 C ATOM 269 O HIS A 20 -6.201 8.790 -2.091 1.00 1.03 O ATOM 270 CB HIS A 20 -7.482 10.286 0.472 1.00 1.26 C ATOM 271 CG HIS A 20 -7.467 11.651 -0.164 1.00 1.31 C ATOM 272 ND1 HIS A 20 -8.488 12.202 -0.904 1.00 1.51 N ATOM 273 CD2 HIS A 20 -6.461 12.574 -0.104 1.00 1.31 C ATOM 274 CE1 HIS A 20 -8.094 13.428 -1.282 1.00 1.57 C ATOM 275 NE2 HIS A 20 -6.863 13.702 -0.823 1.00 1.49 N ATOM 0 H HIS A 20 -5.290 10.526 1.751 1.00 0.76 H new ATOM 0 HA HIS A 20 -6.591 8.390 0.361 1.00 0.94 H new ATOM 0 HB2 HIS A 20 -8.356 9.747 0.107 1.00 1.26 H new ATOM 0 HB3 HIS A 20 -7.610 10.410 1.547 1.00 1.26 H new ATOM 0 HD2 HIS A 20 -5.519 12.452 0.410 1.00 1.31 H new ATOM 0 HE1 HIS A 20 -8.689 14.105 -1.877 1.00 1.57 H new ATOM 0 HE2 HIS A 20 -6.330 14.559 -0.969 1.00 1.49 H new ATOM 283 N LYS A 21 -4.630 10.257 -1.429 1.00 0.89 N ATOM 284 CA LYS A 21 -3.876 10.246 -2.677 1.00 0.95 C ATOM 285 C LYS A 21 -3.353 8.833 -2.948 1.00 0.90 C ATOM 286 O LYS A 21 -3.614 8.281 -4.017 1.00 1.10 O ATOM 287 CB LYS A 21 -2.752 11.290 -2.586 1.00 0.95 C ATOM 288 CG LYS A 21 -1.674 11.234 -3.678 1.00 0.89 C ATOM 289 CD LYS A 21 -0.557 12.217 -3.292 1.00 1.16 C ATOM 290 CE LYS A 21 0.636 12.139 -4.254 1.00 1.63 C ATOM 291 NZ LYS A 21 1.756 12.999 -3.808 1.00 2.67 N ATOM 0 H LYS A 21 -4.271 10.920 -0.742 1.00 0.89 H new ATOM 0 HA LYS A 21 -4.511 10.516 -3.521 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -3.205 12.281 -2.604 1.00 0.95 H new ATOM 0 HB3 LYS A 21 -2.263 11.181 -1.618 1.00 0.95 H new ATOM 0 HG2 LYS A 21 -1.277 10.223 -3.770 1.00 0.89 H new ATOM 0 HG3 LYS A 21 -2.098 11.500 -4.646 1.00 0.89 H new ATOM 0 HD2 LYS A 21 -0.953 13.232 -3.288 1.00 1.16 H new ATOM 0 HD3 LYS A 21 -0.220 12.002 -2.278 1.00 1.16 H new ATOM 0 HE2 LYS A 21 0.977 11.106 -4.328 1.00 1.63 H new ATOM 0 HE3 LYS A 21 0.319 12.442 -5.252 1.00 1.63 H new ATOM 0 HZ1 LYS A 21 2.544 12.920 -4.482 1.00 2.67 H new ATOM 0 HZ2 LYS A 21 1.437 13.988 -3.762 1.00 2.67 H new ATOM 0 HZ3 LYS A 21 2.075 12.693 -2.866 1.00 2.67 H new ATOM 305 N ILE A 22 -2.614 8.244 -2.001 1.00 0.68 N ATOM 306 CA ILE A 22 -2.092 6.890 -2.134 1.00 0.64 C ATOM 307 C ILE A 22 -3.250 5.936 -2.403 1.00 0.65 C ATOM 308 O ILE A 22 -3.198 5.186 -3.372 1.00 0.71 O ATOM 309 CB ILE A 22 -1.294 6.459 -0.890 1.00 0.59 C ATOM 310 CG1 ILE A 22 -0.010 7.288 -0.758 1.00 0.72 C ATOM 311 CG2 ILE A 22 -0.911 4.973 -0.976 1.00 0.68 C ATOM 312 CD1 ILE A 22 0.504 7.274 0.682 1.00 0.95 C ATOM 0 H ILE A 22 -2.364 8.698 -1.122 1.00 0.68 H new ATOM 0 HA ILE A 22 -1.396 6.863 -2.973 1.00 0.64 H new ATOM 0 HB ILE A 22 -1.929 6.623 -0.020 1.00 0.59 H new ATOM 0 HG12 ILE A 22 0.755 6.890 -1.425 1.00 0.72 H new ATOM 0 HG13 ILE A 22 -0.202 8.315 -1.070 1.00 0.72 H new ATOM 0 HG21 ILE A 22 -0.348 4.690 -0.087 1.00 0.68 H new ATOM 0 HG22 ILE A 22 -1.815 4.367 -1.041 1.00 0.68 H new ATOM 0 HG23 ILE A 22 -0.298 4.806 -1.862 1.00 0.68 H new ATOM 0 HD11 ILE A 22 1.415 7.869 0.749 1.00 0.95 H new ATOM 0 HD12 ILE A 22 -0.254 7.695 1.343 1.00 0.95 H new ATOM 0 HD13 ILE A 22 0.718 6.248 0.982 1.00 0.95 H new ATOM 324 N GLU A 23 -4.289 5.980 -1.565 1.00 0.70 N ATOM 325 CA GLU A 23 -5.458 5.117 -1.678 1.00 0.87 C ATOM 326 C GLU A 23 -6.006 5.171 -3.107 1.00 0.90 C ATOM 327 O GLU A 23 -6.019 4.173 -3.830 1.00 0.95 O ATOM 328 CB GLU A 23 -6.506 5.550 -0.633 1.00 1.02 C ATOM 329 CG GLU A 23 -7.268 4.381 -0.012 1.00 1.42 C ATOM 330 CD GLU A 23 -7.972 4.814 1.272 1.00 2.57 C ATOM 331 OE1 GLU A 23 -8.749 5.787 1.178 1.00 3.40 O ATOM 332 OE2 GLU A 23 -7.704 4.184 2.323 1.00 3.54 O ATOM 0 H GLU A 23 -4.338 6.628 -0.778 1.00 0.70 H new ATOM 0 HA GLU A 23 -5.189 4.080 -1.475 1.00 0.87 H new ATOM 0 HB2 GLU A 23 -6.008 6.110 0.159 1.00 1.02 H new ATOM 0 HB3 GLU A 23 -7.218 6.228 -1.104 1.00 1.02 H new ATOM 0 HG2 GLU A 23 -8.001 4.000 -0.723 1.00 1.42 H new ATOM 0 HG3 GLU A 23 -6.578 3.565 0.203 1.00 1.42 H new ATOM 339 N SER A 24 -6.397 6.376 -3.531 1.00 0.93 N ATOM 340 CA SER A 24 -6.918 6.627 -4.862 1.00 1.02 C ATOM 341 C SER A 24 -5.945 6.112 -5.921 1.00 1.03 C ATOM 342 O SER A 24 -6.384 5.477 -6.880 1.00 1.17 O ATOM 343 CB SER A 24 -7.223 8.123 -5.036 1.00 1.04 C ATOM 344 OG SER A 24 -7.797 8.399 -6.310 1.00 1.16 O ATOM 0 H SER A 24 -6.357 7.210 -2.946 1.00 0.93 H new ATOM 0 HA SER A 24 -7.854 6.083 -4.992 1.00 1.02 H new ATOM 0 HB2 SER A 24 -7.905 8.449 -4.251 1.00 1.04 H new ATOM 0 HB3 SER A 24 -6.304 8.698 -4.919 1.00 1.04 H new ATOM 0 HG SER A 24 -7.979 9.359 -6.386 1.00 1.16 H new ATOM 350 N SER A 25 -4.647 6.398 -5.778 1.00 0.96 N ATOM 351 CA SER A 25 -3.635 6.015 -6.750 1.00 0.98 C ATOM 352 C SER A 25 -3.655 4.496 -6.895 1.00 1.04 C ATOM 353 O SER A 25 -3.846 3.978 -7.995 1.00 1.30 O ATOM 354 CB SER A 25 -2.261 6.549 -6.319 1.00 0.95 C ATOM 355 OG SER A 25 -1.287 6.323 -7.318 1.00 1.21 O ATOM 0 H SER A 25 -4.273 6.906 -4.976 1.00 0.96 H new ATOM 0 HA SER A 25 -3.847 6.454 -7.725 1.00 0.98 H new ATOM 0 HB2 SER A 25 -2.332 7.617 -6.112 1.00 0.95 H new ATOM 0 HB3 SER A 25 -1.954 6.064 -5.392 1.00 0.95 H new ATOM 0 HG SER A 25 -0.423 6.674 -7.018 1.00 1.21 H new ATOM 361 N LEU A 26 -3.542 3.791 -5.771 1.00 0.93 N ATOM 362 CA LEU A 26 -3.575 2.344 -5.718 1.00 1.05 C ATOM 363 C LEU A 26 -4.776 1.802 -6.483 1.00 1.07 C ATOM 364 O LEU A 26 -4.616 0.939 -7.339 1.00 1.10 O ATOM 365 CB LEU A 26 -3.599 1.859 -4.263 1.00 1.20 C ATOM 366 CG LEU A 26 -2.337 1.094 -3.863 1.00 1.20 C ATOM 367 CD1 LEU A 26 -2.193 -0.208 -4.653 1.00 2.78 C ATOM 368 CD2 LEU A 26 -1.070 1.942 -3.984 1.00 1.66 C ATOM 0 H LEU A 26 -3.423 4.226 -4.856 1.00 0.93 H new ATOM 0 HA LEU A 26 -2.670 1.965 -6.193 1.00 1.05 H new ATOM 0 HB2 LEU A 26 -3.721 2.717 -3.602 1.00 1.20 H new ATOM 0 HB3 LEU A 26 -4.468 1.217 -4.115 1.00 1.20 H new ATOM 0 HG LEU A 26 -2.457 0.844 -2.809 1.00 1.20 H new ATOM 0 HD11 LEU A 26 -1.285 -0.724 -4.341 1.00 2.78 H new ATOM 0 HD12 LEU A 26 -3.056 -0.846 -4.463 1.00 2.78 H new ATOM 0 HD13 LEU A 26 -2.135 0.017 -5.718 1.00 2.78 H new ATOM 0 HD21 LEU A 26 -0.205 1.348 -3.687 1.00 1.66 H new ATOM 0 HD22 LEU A 26 -0.949 2.269 -5.017 1.00 1.66 H new ATOM 0 HD23 LEU A 26 -1.152 2.813 -3.334 1.00 1.66 H new ATOM 380 N THR A 27 -5.976 2.316 -6.206 1.00 1.07 N ATOM 381 CA THR A 27 -7.181 1.835 -6.866 1.00 1.13 C ATOM 382 C THR A 27 -7.107 1.953 -8.399 1.00 1.10 C ATOM 383 O THR A 27 -7.778 1.196 -9.101 1.00 1.24 O ATOM 384 CB THR A 27 -8.403 2.549 -6.271 1.00 1.22 C ATOM 385 OG1 THR A 27 -8.236 2.621 -4.874 1.00 1.99 O ATOM 386 CG2 THR A 27 -9.708 1.805 -6.570 1.00 2.01 C ATOM 0 H THR A 27 -6.134 3.063 -5.530 1.00 1.07 H new ATOM 0 HA THR A 27 -7.279 0.766 -6.676 1.00 1.13 H new ATOM 0 HB THR A 27 -8.472 3.539 -6.721 1.00 1.22 H new ATOM 0 HG1 THR A 27 -7.684 1.870 -4.571 1.00 1.99 H new ATOM 0 HG21 THR A 27 -10.545 2.347 -6.130 1.00 2.01 H new ATOM 0 HG22 THR A 27 -9.848 1.735 -7.649 1.00 2.01 H new ATOM 0 HG23 THR A 27 -9.661 0.802 -6.145 1.00 2.01 H new ATOM 394 N LYS A 28 -6.294 2.871 -8.942 1.00 1.28 N ATOM 395 CA LYS A 28 -6.094 2.942 -10.386 1.00 1.31 C ATOM 396 C LYS A 28 -5.435 1.662 -10.907 1.00 1.29 C ATOM 397 O LYS A 28 -5.732 1.242 -12.026 1.00 1.38 O ATOM 398 CB LYS A 28 -5.263 4.170 -10.798 1.00 1.38 C ATOM 399 CG LYS A 28 -5.732 5.507 -10.208 1.00 3.15 C ATOM 400 CD LYS A 28 -7.152 5.924 -10.629 1.00 4.69 C ATOM 401 CE LYS A 28 -7.619 7.160 -9.840 1.00 6.57 C ATOM 402 NZ LYS A 28 -8.040 6.811 -8.466 1.00 7.89 N ATOM 0 H LYS A 28 -5.773 3.564 -8.406 1.00 1.28 H new ATOM 0 HA LYS A 28 -7.081 3.045 -10.838 1.00 1.31 H new ATOM 0 HB2 LYS A 28 -4.228 4.004 -10.501 1.00 1.38 H new ATOM 0 HB3 LYS A 28 -5.274 4.248 -11.885 1.00 1.38 H new ATOM 0 HG2 LYS A 28 -5.692 5.444 -9.121 1.00 3.15 H new ATOM 0 HG3 LYS A 28 -5.033 6.288 -10.508 1.00 3.15 H new ATOM 0 HD2 LYS A 28 -7.170 6.142 -11.697 1.00 4.69 H new ATOM 0 HD3 LYS A 28 -7.843 5.098 -10.460 1.00 4.69 H new ATOM 0 HE2 LYS A 28 -6.811 7.890 -9.798 1.00 6.57 H new ATOM 0 HE3 LYS A 28 -8.449 7.633 -10.365 1.00 6.57 H new ATOM 0 HZ1 LYS A 28 -7.973 7.652 -7.858 1.00 7.89 H new ATOM 0 HZ2 LYS A 28 -9.023 6.472 -8.480 1.00 7.89 H new ATOM 0 HZ3 LYS A 28 -7.421 6.063 -8.093 1.00 7.89 H new ATOM 416 N HIS A 29 -4.562 1.021 -10.117 1.00 1.24 N ATOM 417 CA HIS A 29 -3.921 -0.220 -10.532 1.00 1.26 C ATOM 418 C HIS A 29 -5.008 -1.227 -10.908 1.00 1.45 C ATOM 419 O HIS A 29 -6.077 -1.249 -10.297 1.00 2.51 O ATOM 420 CB HIS A 29 -3.059 -0.828 -9.417 1.00 1.39 C ATOM 421 CG HIS A 29 -1.844 -0.055 -8.962 1.00 1.30 C ATOM 422 ND1 HIS A 29 -0.710 -0.626 -8.427 1.00 2.31 N ATOM 423 CD2 HIS A 29 -1.708 1.305 -8.850 1.00 1.41 C ATOM 424 CE1 HIS A 29 0.092 0.369 -8.013 1.00 2.22 C ATOM 425 NE2 HIS A 29 -0.477 1.562 -8.244 1.00 1.35 N ATOM 0 H HIS A 29 -4.288 1.346 -9.190 1.00 1.24 H new ATOM 0 HA HIS A 29 -3.270 0.004 -11.377 1.00 1.26 H new ATOM 0 HB2 HIS A 29 -3.699 -0.987 -8.549 1.00 1.39 H new ATOM 0 HB3 HIS A 29 -2.725 -1.810 -9.751 1.00 1.39 H new ATOM 0 HD1 HIS A 29 -0.515 -1.625 -8.358 1.00 2.31 H new ATOM 0 HD2 HIS A 29 -2.425 2.045 -9.173 1.00 1.41 H new ATOM 0 HE1 HIS A 29 1.061 0.228 -7.557 1.00 2.22 H new ATOM 433 N ARG A 30 -4.756 -2.035 -11.936 1.00 1.10 N ATOM 434 CA ARG A 30 -5.514 -3.252 -12.183 1.00 1.19 C ATOM 435 C ARG A 30 -4.790 -4.364 -11.422 1.00 1.29 C ATOM 436 O ARG A 30 -3.629 -4.202 -11.052 1.00 3.05 O ATOM 437 CB ARG A 30 -5.590 -3.534 -13.692 1.00 1.54 C ATOM 438 CG ARG A 30 -6.808 -2.908 -14.398 1.00 2.17 C ATOM 439 CD ARG A 30 -6.855 -1.370 -14.412 1.00 3.57 C ATOM 440 NE ARG A 30 -7.205 -0.782 -13.108 1.00 4.62 N ATOM 441 CZ ARG A 30 -8.378 -0.885 -12.466 1.00 5.46 C ATOM 442 NH1 ARG A 30 -9.446 -1.375 -13.104 1.00 5.49 N ATOM 443 NH2 ARG A 30 -8.476 -0.505 -11.190 1.00 6.93 N ATOM 0 H ARG A 30 -4.019 -1.861 -12.620 1.00 1.10 H new ATOM 0 HA ARG A 30 -6.545 -3.171 -11.840 1.00 1.19 H new ATOM 0 HB2 ARG A 30 -4.681 -3.162 -14.165 1.00 1.54 H new ATOM 0 HB3 ARG A 30 -5.611 -4.613 -13.847 1.00 1.54 H new ATOM 0 HG2 ARG A 30 -6.829 -3.263 -15.428 1.00 2.17 H new ATOM 0 HG3 ARG A 30 -7.713 -3.276 -13.915 1.00 2.17 H new ATOM 0 HD2 ARG A 30 -5.884 -0.987 -14.725 1.00 3.57 H new ATOM 0 HD3 ARG A 30 -7.581 -1.043 -15.156 1.00 3.57 H new ATOM 0 HE ARG A 30 -6.478 -0.238 -12.643 1.00 4.62 H new ATOM 0 HH11 ARG A 30 -9.368 -1.670 -14.077 1.00 5.49 H new ATOM 0 HH12 ARG A 30 -10.339 -1.454 -12.617 1.00 5.49 H new ATOM 0 HH21 ARG A 30 -7.659 -0.136 -10.703 1.00 6.93 H new ATOM 0 HH22 ARG A 30 -9.368 -0.583 -10.702 1.00 6.93 H new ATOM 457 N GLY A 31 -5.480 -5.471 -11.137 1.00 1.58 N ATOM 458 CA GLY A 31 -4.884 -6.582 -10.404 1.00 1.56 C ATOM 459 C GLY A 31 -4.984 -6.421 -8.887 1.00 1.43 C ATOM 460 O GLY A 31 -4.835 -7.396 -8.151 1.00 1.59 O ATOM 0 H GLY A 31 -6.453 -5.618 -11.405 1.00 1.58 H new ATOM 0 HA2 GLY A 31 -5.376 -7.509 -10.698 1.00 1.56 H new ATOM 0 HA3 GLY A 31 -3.835 -6.674 -10.685 1.00 1.56 H new ATOM 464 N ILE A 32 -5.267 -5.206 -8.405 1.00 1.34 N ATOM 465 CA ILE A 32 -5.582 -4.992 -7.005 1.00 1.22 C ATOM 466 C ILE A 32 -7.034 -5.407 -6.774 1.00 1.19 C ATOM 467 O ILE A 32 -7.900 -5.171 -7.615 1.00 1.51 O ATOM 468 CB ILE A 32 -5.281 -3.547 -6.564 1.00 1.39 C ATOM 469 CG1 ILE A 32 -6.180 -2.493 -7.235 1.00 2.40 C ATOM 470 CG2 ILE A 32 -3.798 -3.244 -6.820 1.00 1.69 C ATOM 471 CD1 ILE A 32 -7.409 -2.163 -6.381 1.00 3.16 C ATOM 0 H ILE A 32 -5.282 -4.359 -8.973 1.00 1.34 H new ATOM 0 HA ILE A 32 -4.941 -5.610 -6.377 1.00 1.22 H new ATOM 0 HB ILE A 32 -5.505 -3.480 -5.499 1.00 1.39 H new ATOM 0 HG12 ILE A 32 -5.605 -1.584 -7.410 1.00 2.40 H new ATOM 0 HG13 ILE A 32 -6.503 -2.859 -8.210 1.00 2.40 H new ATOM 0 HG21 ILE A 32 -3.577 -2.223 -6.510 1.00 1.69 H new ATOM 0 HG22 ILE A 32 -3.181 -3.938 -6.249 1.00 1.69 H new ATOM 0 HG23 ILE A 32 -3.582 -3.356 -7.882 1.00 1.69 H new ATOM 0 HD11 ILE A 32 -8.016 -1.415 -6.891 1.00 3.16 H new ATOM 0 HD12 ILE A 32 -7.999 -3.067 -6.228 1.00 3.16 H new ATOM 0 HD13 ILE A 32 -7.087 -1.772 -5.416 1.00 3.16 H new ATOM 483 N LEU A 33 -7.285 -6.035 -5.631 1.00 0.93 N ATOM 484 CA LEU A 33 -8.604 -6.378 -5.132 1.00 0.95 C ATOM 485 C LEU A 33 -9.149 -5.181 -4.352 1.00 0.86 C ATOM 486 O LEU A 33 -10.309 -4.814 -4.516 1.00 1.01 O ATOM 487 CB LEU A 33 -8.503 -7.607 -4.213 1.00 0.88 C ATOM 488 CG LEU A 33 -8.429 -8.968 -4.924 1.00 1.30 C ATOM 489 CD1 LEU A 33 -7.477 -9.002 -6.125 1.00 2.05 C ATOM 490 CD2 LEU A 33 -8.004 -10.038 -3.912 1.00 3.26 C ATOM 0 H LEU A 33 -6.539 -6.330 -5.002 1.00 0.93 H new ATOM 0 HA LEU A 33 -9.273 -6.616 -5.959 1.00 0.95 H new ATOM 0 HB2 LEU A 33 -7.618 -7.497 -3.586 1.00 0.88 H new ATOM 0 HB3 LEU A 33 -9.366 -7.612 -3.548 1.00 0.88 H new ATOM 0 HG LEU A 33 -9.425 -9.161 -5.322 1.00 1.30 H new ATOM 0 HD11 LEU A 33 -7.485 -9.998 -6.568 1.00 2.05 H new ATOM 0 HD12 LEU A 33 -7.801 -8.272 -6.867 1.00 2.05 H new ATOM 0 HD13 LEU A 33 -6.467 -8.760 -5.795 1.00 2.05 H new ATOM 0 HD21 LEU A 33 -7.949 -11.007 -4.408 1.00 3.26 H new ATOM 0 HD22 LEU A 33 -7.026 -9.784 -3.503 1.00 3.26 H new ATOM 0 HD23 LEU A 33 -8.734 -10.085 -3.104 1.00 3.26 H new ATOM 502 N TYR A 34 -8.333 -4.598 -3.463 1.00 0.71 N ATOM 503 CA TYR A 34 -8.751 -3.510 -2.593 1.00 0.73 C ATOM 504 C TYR A 34 -7.501 -2.746 -2.173 1.00 0.76 C ATOM 505 O TYR A 34 -6.418 -3.330 -2.179 1.00 0.79 O ATOM 506 CB TYR A 34 -9.455 -4.109 -1.368 1.00 0.66 C ATOM 507 CG TYR A 34 -9.891 -3.113 -0.312 1.00 0.65 C ATOM 508 CD1 TYR A 34 -11.049 -2.340 -0.514 1.00 1.92 C ATOM 509 CD2 TYR A 34 -9.174 -2.999 0.894 1.00 2.09 C ATOM 510 CE1 TYR A 34 -11.510 -1.488 0.504 1.00 1.84 C ATOM 511 CE2 TYR A 34 -9.642 -2.156 1.915 1.00 2.27 C ATOM 512 CZ TYR A 34 -10.811 -1.398 1.718 1.00 0.96 C ATOM 513 OH TYR A 34 -11.310 -0.625 2.724 1.00 1.24 O ATOM 0 H TYR A 34 -7.360 -4.876 -3.333 1.00 0.71 H new ATOM 0 HA TYR A 34 -9.440 -2.833 -3.098 1.00 0.73 H new ATOM 0 HB2 TYR A 34 -10.333 -4.658 -1.708 1.00 0.66 H new ATOM 0 HB3 TYR A 34 -8.785 -4.833 -0.904 1.00 0.66 H new ATOM 0 HD1 TYR A 34 -11.583 -2.401 -1.451 1.00 1.92 H new ATOM 0 HD2 TYR A 34 -8.262 -3.561 1.034 1.00 2.09 H new ATOM 0 HE1 TYR A 34 -12.404 -0.901 0.352 1.00 1.84 H new ATOM 0 HE2 TYR A 34 -9.105 -2.090 2.850 1.00 2.27 H new ATOM 0 HH TYR A 34 -10.711 -0.669 3.498 1.00 1.24 H new ATOM 523 N CYS A 35 -7.646 -1.486 -1.760 1.00 0.81 N ATOM 524 CA CYS A 35 -6.641 -0.794 -0.976 1.00 0.78 C ATOM 525 C CYS A 35 -7.356 -0.067 0.157 1.00 0.84 C ATOM 526 O CYS A 35 -8.518 0.312 0.002 1.00 1.23 O ATOM 527 CB CYS A 35 -5.851 0.174 -1.860 1.00 0.80 C ATOM 528 SG CYS A 35 -6.885 1.609 -2.236 1.00 2.66 S ATOM 0 H CYS A 35 -8.470 -0.921 -1.965 1.00 0.81 H new ATOM 0 HA CYS A 35 -5.922 -1.498 -0.558 1.00 0.78 H new ATOM 0 HB2 CYS A 35 -4.940 0.490 -1.351 1.00 0.80 H new ATOM 0 HB3 CYS A 35 -5.546 -0.322 -2.782 1.00 0.80 H new ATOM 0 HG CYS A 35 -6.198 2.469 -2.928 1.00 2.66 H new ATOM 534 N SER A 36 -6.678 0.127 1.287 1.00 0.73 N ATOM 535 CA SER A 36 -6.963 1.233 2.178 1.00 1.10 C ATOM 536 C SER A 36 -5.707 1.566 2.976 1.00 0.97 C ATOM 537 O SER A 36 -4.909 0.672 3.271 1.00 1.39 O ATOM 538 CB SER A 36 -8.186 0.981 3.062 1.00 1.59 C ATOM 539 OG SER A 36 -8.461 2.123 3.852 1.00 2.42 O ATOM 0 H SER A 36 -5.921 -0.479 1.603 1.00 0.73 H new ATOM 0 HA SER A 36 -7.234 2.104 1.582 1.00 1.10 H new ATOM 0 HB2 SER A 36 -9.050 0.742 2.441 1.00 1.59 H new ATOM 0 HB3 SER A 36 -8.008 0.119 3.705 1.00 1.59 H new ATOM 0 HG SER A 36 -8.178 2.929 3.372 1.00 2.42 H new ATOM 545 N VAL A 37 -5.521 2.848 3.288 1.00 0.66 N ATOM 546 CA VAL A 37 -4.357 3.377 3.985 1.00 0.55 C ATOM 547 C VAL A 37 -4.794 4.178 5.208 1.00 0.59 C ATOM 548 O VAL A 37 -5.890 4.731 5.237 1.00 0.76 O ATOM 549 CB VAL A 37 -3.491 4.233 3.041 1.00 0.70 C ATOM 550 CG1 VAL A 37 -2.396 3.413 2.368 1.00 1.55 C ATOM 551 CG2 VAL A 37 -4.295 4.917 1.937 1.00 1.83 C ATOM 0 H VAL A 37 -6.203 3.569 3.053 1.00 0.66 H new ATOM 0 HA VAL A 37 -3.746 2.540 4.323 1.00 0.55 H new ATOM 0 HB VAL A 37 -3.055 4.993 3.690 1.00 0.70 H new ATOM 0 HG11 VAL A 37 -1.810 4.057 1.712 1.00 1.55 H new ATOM 0 HG12 VAL A 37 -1.745 2.982 3.128 1.00 1.55 H new ATOM 0 HG13 VAL A 37 -2.849 2.613 1.782 1.00 1.55 H new ATOM 0 HG21 VAL A 37 -3.625 5.503 1.309 1.00 1.83 H new ATOM 0 HG22 VAL A 37 -4.794 4.162 1.330 1.00 1.83 H new ATOM 0 HG23 VAL A 37 -5.041 5.574 2.384 1.00 1.83 H new ATOM 561 N ALA A 38 -3.937 4.243 6.234 1.00 0.54 N ATOM 562 CA ALA A 38 -4.231 5.009 7.439 1.00 0.60 C ATOM 563 C ALA A 38 -2.951 5.428 8.151 1.00 0.62 C ATOM 564 O ALA A 38 -1.913 4.783 8.020 1.00 0.80 O ATOM 565 CB ALA A 38 -5.122 4.195 8.375 1.00 0.70 C ATOM 0 H ALA A 38 -3.033 3.771 6.248 1.00 0.54 H new ATOM 0 HA ALA A 38 -4.761 5.915 7.146 1.00 0.60 H new ATOM 0 HB1 ALA A 38 -5.335 4.777 9.272 1.00 0.70 H new ATOM 0 HB2 ALA A 38 -6.056 3.953 7.869 1.00 0.70 H new ATOM 0 HB3 ALA A 38 -4.611 3.273 8.654 1.00 0.70 H new ATOM 571 N LEU A 39 -3.054 6.502 8.933 1.00 1.01 N ATOM 572 CA LEU A 39 -1.937 7.279 9.470 1.00 0.90 C ATOM 573 C LEU A 39 -1.794 7.152 10.990 1.00 0.90 C ATOM 574 O LEU A 39 -0.787 7.578 11.548 1.00 0.93 O ATOM 575 CB LEU A 39 -2.013 8.745 9.006 1.00 1.06 C ATOM 576 CG LEU A 39 -3.406 9.403 9.009 1.00 1.02 C ATOM 577 CD1 LEU A 39 -4.082 9.379 10.385 1.00 1.92 C ATOM 578 CD2 LEU A 39 -3.281 10.858 8.547 1.00 1.33 C ATOM 0 H LEU A 39 -3.960 6.871 9.223 1.00 1.01 H new ATOM 0 HA LEU A 39 -1.023 6.850 9.059 1.00 0.90 H new ATOM 0 HB2 LEU A 39 -1.356 9.337 9.643 1.00 1.06 H new ATOM 0 HB3 LEU A 39 -1.612 8.802 7.994 1.00 1.06 H new ATOM 0 HG LEU A 39 -4.030 8.822 8.329 1.00 1.02 H new ATOM 0 HD11 LEU A 39 -5.059 9.858 10.319 1.00 1.92 H new ATOM 0 HD12 LEU A 39 -4.205 8.347 10.712 1.00 1.92 H new ATOM 0 HD13 LEU A 39 -3.463 9.916 11.104 1.00 1.92 H new ATOM 0 HD21 LEU A 39 -4.265 11.326 8.548 1.00 1.33 H new ATOM 0 HD22 LEU A 39 -2.621 11.399 9.225 1.00 1.33 H new ATOM 0 HD23 LEU A 39 -2.867 10.885 7.539 1.00 1.33 H new ATOM 590 N ALA A 40 -2.761 6.523 11.666 1.00 1.23 N ATOM 591 CA ALA A 40 -2.593 6.165 13.065 1.00 1.52 C ATOM 592 C ALA A 40 -1.514 5.086 13.151 1.00 1.51 C ATOM 593 O ALA A 40 -0.492 5.252 13.807 1.00 1.90 O ATOM 594 CB ALA A 40 -3.928 5.692 13.649 1.00 1.96 C ATOM 0 H ALA A 40 -3.660 6.256 11.264 1.00 1.23 H new ATOM 0 HA ALA A 40 -2.278 7.027 13.653 1.00 1.52 H new ATOM 0 HB1 ALA A 40 -3.793 5.426 14.697 1.00 1.96 H new ATOM 0 HB2 ALA A 40 -4.664 6.492 13.570 1.00 1.96 H new ATOM 0 HB3 ALA A 40 -4.279 4.821 13.096 1.00 1.96 H new ATOM 600 N THR A 41 -1.742 3.974 12.446 1.00 1.31 N ATOM 601 CA THR A 41 -0.803 2.866 12.381 1.00 1.36 C ATOM 602 C THR A 41 0.330 3.152 11.382 1.00 1.17 C ATOM 603 O THR A 41 1.432 2.631 11.539 1.00 1.60 O ATOM 604 CB THR A 41 -1.567 1.591 12.007 1.00 1.55 C ATOM 605 OG1 THR A 41 -2.874 1.616 12.562 1.00 1.86 O ATOM 606 CG2 THR A 41 -0.843 0.335 12.495 1.00 2.52 C ATOM 0 H THR A 41 -2.592 3.823 11.903 1.00 1.31 H new ATOM 0 HA THR A 41 -0.335 2.732 13.356 1.00 1.36 H new ATOM 0 HB THR A 41 -1.626 1.559 10.919 1.00 1.55 H new ATOM 0 HG1 THR A 41 -2.894 1.070 13.375 1.00 1.86 H new ATOM 0 HG21 THR A 41 -1.415 -0.548 12.211 1.00 2.52 H new ATOM 0 HG22 THR A 41 0.147 0.287 12.042 1.00 2.52 H new ATOM 0 HG23 THR A 41 -0.745 0.370 13.580 1.00 2.52 H new ATOM 614 N ASN A 42 0.048 3.956 10.344 1.00 0.81 N ATOM 615 CA ASN A 42 0.939 4.233 9.215 1.00 0.77 C ATOM 616 C ASN A 42 0.968 3.007 8.321 1.00 0.86 C ATOM 617 O ASN A 42 2.026 2.434 8.100 1.00 1.16 O ATOM 618 CB ASN A 42 2.356 4.656 9.648 1.00 0.99 C ATOM 619 CG ASN A 42 2.294 5.648 10.790 1.00 0.78 C ATOM 620 OD1 ASN A 42 2.853 5.420 11.864 1.00 1.61 O ATOM 621 ND2 ASN A 42 1.572 6.733 10.570 1.00 1.09 N ATOM 0 H ASN A 42 -0.842 4.448 10.269 1.00 0.81 H new ATOM 0 HA ASN A 42 0.547 5.090 8.666 1.00 0.77 H new ATOM 0 HB2 ASN A 42 2.925 3.778 9.953 1.00 0.99 H new ATOM 0 HB3 ASN A 42 2.882 5.100 8.803 1.00 0.99 H new ATOM 0 HD21 ASN A 42 1.458 7.428 11.308 1.00 1.09 H new ATOM 0 HD22 ASN A 42 1.129 6.875 9.662 1.00 1.09 H new ATOM 628 N LYS A 43 -0.208 2.581 7.857 1.00 0.68 N ATOM 629 CA LYS A 43 -0.431 1.293 7.226 1.00 0.69 C ATOM 630 C LYS A 43 -1.056 1.466 5.856 1.00 0.65 C ATOM 631 O LYS A 43 -1.692 2.489 5.597 1.00 0.69 O ATOM 632 CB LYS A 43 -1.310 0.400 8.111 1.00 0.83 C ATOM 633 CG LYS A 43 -2.678 1.035 8.406 1.00 1.40 C ATOM 634 CD LYS A 43 -3.444 0.156 9.402 1.00 1.65 C ATOM 635 CE LYS A 43 -4.568 0.934 10.092 1.00 2.08 C ATOM 636 NZ LYS A 43 -4.926 0.348 11.398 1.00 4.07 N ATOM 0 H LYS A 43 -1.055 3.147 7.915 1.00 0.68 H new ATOM 0 HA LYS A 43 0.536 0.805 7.101 1.00 0.69 H new ATOM 0 HB2 LYS A 43 -1.457 -0.562 7.620 1.00 0.83 H new ATOM 0 HB3 LYS A 43 -0.794 0.203 9.050 1.00 0.83 H new ATOM 0 HG2 LYS A 43 -2.546 2.037 8.815 1.00 1.40 H new ATOM 0 HG3 LYS A 43 -3.249 1.140 7.483 1.00 1.40 H new ATOM 0 HD2 LYS A 43 -3.863 -0.705 8.881 1.00 1.65 H new ATOM 0 HD3 LYS A 43 -2.754 -0.230 10.152 1.00 1.65 H new ATOM 0 HE2 LYS A 43 -4.259 1.970 10.232 1.00 2.08 H new ATOM 0 HE3 LYS A 43 -5.447 0.948 9.448 1.00 2.08 H new ATOM 0 HZ1 LYS A 43 -5.870 0.681 11.681 1.00 4.07 H new ATOM 0 HZ2 LYS A 43 -4.933 -0.689 11.323 1.00 4.07 H new ATOM 0 HZ3 LYS A 43 -4.228 0.639 12.112 1.00 4.07 H new ATOM 650 N ALA A 44 -0.904 0.425 5.037 1.00 0.66 N ATOM 651 CA ALA A 44 -1.502 0.289 3.725 1.00 0.74 C ATOM 652 C ALA A 44 -1.900 -1.161 3.543 1.00 0.84 C ATOM 653 O ALA A 44 -1.061 -1.987 3.189 1.00 1.05 O ATOM 654 CB ALA A 44 -0.521 0.686 2.631 1.00 0.76 C ATOM 0 H ALA A 44 -0.332 -0.380 5.290 1.00 0.66 H new ATOM 0 HA ALA A 44 -2.369 0.946 3.652 1.00 0.74 H new ATOM 0 HB1 ALA A 44 -0.997 0.574 1.657 1.00 0.76 H new ATOM 0 HB2 ALA A 44 -0.221 1.725 2.771 1.00 0.76 H new ATOM 0 HB3 ALA A 44 0.359 0.044 2.681 1.00 0.76 H new ATOM 660 N HIS A 45 -3.169 -1.453 3.802 1.00 0.76 N ATOM 661 CA HIS A 45 -3.789 -2.732 3.537 1.00 0.80 C ATOM 662 C HIS A 45 -4.153 -2.738 2.061 1.00 0.78 C ATOM 663 O HIS A 45 -5.136 -2.113 1.674 1.00 0.83 O ATOM 664 CB HIS A 45 -4.975 -2.878 4.496 1.00 0.86 C ATOM 665 CG HIS A 45 -5.648 -4.218 4.430 1.00 0.93 C ATOM 666 ND1 HIS A 45 -5.773 -5.132 5.453 1.00 1.02 N ATOM 667 CD2 HIS A 45 -6.289 -4.720 3.334 1.00 1.01 C ATOM 668 CE1 HIS A 45 -6.511 -6.151 4.979 1.00 1.16 C ATOM 669 NE2 HIS A 45 -6.851 -5.949 3.691 1.00 1.16 N ATOM 0 H HIS A 45 -3.811 -0.778 4.217 1.00 0.76 H new ATOM 0 HA HIS A 45 -3.147 -3.595 3.715 1.00 0.80 H new ATOM 0 HB2 HIS A 45 -4.629 -2.706 5.515 1.00 0.86 H new ATOM 0 HB3 HIS A 45 -5.708 -2.103 4.273 1.00 0.86 H new ATOM 0 HD1 HIS A 45 -5.381 -5.051 6.391 1.00 1.02 H new ATOM 0 HD2 HIS A 45 -6.351 -4.251 2.363 1.00 1.01 H new ATOM 0 HE1 HIS A 45 -6.795 -7.019 5.556 1.00 1.16 H new ATOM 677 N ILE A 46 -3.356 -3.427 1.240 1.00 0.80 N ATOM 678 CA ILE A 46 -3.725 -3.739 -0.129 1.00 0.77 C ATOM 679 C ILE A 46 -4.185 -5.190 -0.120 1.00 0.71 C ATOM 680 O ILE A 46 -3.729 -6.005 0.682 1.00 0.87 O ATOM 681 CB ILE A 46 -2.575 -3.488 -1.130 1.00 0.94 C ATOM 682 CG1 ILE A 46 -2.262 -1.998 -1.343 1.00 1.74 C ATOM 683 CG2 ILE A 46 -2.942 -4.004 -2.531 1.00 1.64 C ATOM 684 CD1 ILE A 46 -1.817 -1.274 -0.081 1.00 1.64 C ATOM 0 H ILE A 46 -2.439 -3.781 1.512 1.00 0.80 H new ATOM 0 HA ILE A 46 -4.522 -3.080 -0.474 1.00 0.77 H new ATOM 0 HB ILE A 46 -1.722 -4.004 -0.690 1.00 0.94 H new ATOM 0 HG12 ILE A 46 -1.481 -1.905 -2.098 1.00 1.74 H new ATOM 0 HG13 ILE A 46 -3.149 -1.504 -1.740 1.00 1.74 H new ATOM 0 HG21 ILE A 46 -2.116 -3.815 -3.216 1.00 1.64 H new ATOM 0 HG22 ILE A 46 -3.137 -5.075 -2.485 1.00 1.64 H new ATOM 0 HG23 ILE A 46 -3.834 -3.488 -2.887 1.00 1.64 H new ATOM 0 HD11 ILE A 46 -1.615 -0.228 -0.313 1.00 1.64 H new ATOM 0 HD12 ILE A 46 -2.605 -1.333 0.670 1.00 1.64 H new ATOM 0 HD13 ILE A 46 -0.911 -1.741 0.306 1.00 1.64 H new ATOM 696 N LYS A 47 -5.100 -5.515 -1.022 1.00 0.75 N ATOM 697 CA LYS A 47 -5.362 -6.878 -1.416 1.00 0.72 C ATOM 698 C LYS A 47 -5.098 -6.938 -2.915 1.00 0.73 C ATOM 699 O LYS A 47 -5.435 -5.978 -3.609 1.00 0.79 O ATOM 700 CB LYS A 47 -6.783 -7.249 -0.990 1.00 0.71 C ATOM 701 CG LYS A 47 -6.953 -7.099 0.529 1.00 0.70 C ATOM 702 CD LYS A 47 -8.105 -7.952 1.068 1.00 1.03 C ATOM 703 CE LYS A 47 -9.462 -7.421 0.584 1.00 2.45 C ATOM 704 NZ LYS A 47 -10.587 -8.180 1.165 1.00 3.15 N ATOM 0 H LYS A 47 -5.683 -4.829 -1.501 1.00 0.75 H new ATOM 0 HA LYS A 47 -4.722 -7.617 -0.934 1.00 0.72 H new ATOM 0 HB2 LYS A 47 -7.501 -6.611 -1.506 1.00 0.71 H new ATOM 0 HB3 LYS A 47 -7.000 -8.276 -1.285 1.00 0.71 H new ATOM 0 HG2 LYS A 47 -6.027 -7.386 1.027 1.00 0.70 H new ATOM 0 HG3 LYS A 47 -7.134 -6.052 0.771 1.00 0.70 H new ATOM 0 HD2 LYS A 47 -7.979 -8.985 0.744 1.00 1.03 H new ATOM 0 HD3 LYS A 47 -8.080 -7.955 2.158 1.00 1.03 H new ATOM 0 HE2 LYS A 47 -9.557 -6.369 0.852 1.00 2.45 H new ATOM 0 HE3 LYS A 47 -9.508 -7.479 -0.504 1.00 2.45 H new ATOM 0 HZ1 LYS A 47 -11.486 -7.792 0.814 1.00 3.15 H new ATOM 0 HZ2 LYS A 47 -10.511 -9.180 0.889 1.00 3.15 H new ATOM 0 HZ3 LYS A 47 -10.558 -8.104 2.202 1.00 3.15 H new ATOM 718 N TYR A 48 -4.438 -7.993 -3.402 1.00 0.91 N ATOM 719 CA TYR A 48 -3.900 -8.053 -4.756 1.00 0.94 C ATOM 720 C TYR A 48 -3.858 -9.483 -5.289 1.00 0.93 C ATOM 721 O TYR A 48 -3.751 -10.430 -4.510 1.00 1.00 O ATOM 722 CB TYR A 48 -2.511 -7.388 -4.826 1.00 1.04 C ATOM 723 CG TYR A 48 -1.414 -7.938 -3.916 1.00 0.88 C ATOM 724 CD1 TYR A 48 -0.875 -9.218 -4.141 1.00 1.67 C ATOM 725 CD2 TYR A 48 -0.770 -7.088 -2.997 1.00 1.81 C ATOM 726 CE1 TYR A 48 0.225 -9.674 -3.397 1.00 1.55 C ATOM 727 CE2 TYR A 48 0.386 -7.512 -2.321 1.00 2.10 C ATOM 728 CZ TYR A 48 0.842 -8.830 -2.467 1.00 1.19 C ATOM 729 OH TYR A 48 1.875 -9.281 -1.703 1.00 1.49 O ATOM 0 H TYR A 48 -4.262 -8.837 -2.857 1.00 0.91 H new ATOM 0 HA TYR A 48 -4.576 -7.492 -5.401 1.00 0.94 H new ATOM 0 HB2 TYR A 48 -2.158 -7.456 -5.855 1.00 1.04 H new ATOM 0 HB3 TYR A 48 -2.634 -6.329 -4.600 1.00 1.04 H new ATOM 0 HD1 TYR A 48 -1.312 -9.857 -4.894 1.00 1.67 H new ATOM 0 HD2 TYR A 48 -1.168 -6.102 -2.810 1.00 1.81 H new ATOM 0 HE1 TYR A 48 0.596 -10.678 -3.543 1.00 1.55 H new ATOM 0 HE2 TYR A 48 0.924 -6.822 -1.688 1.00 2.10 H new ATOM 0 HH TYR A 48 2.063 -10.217 -1.926 1.00 1.49 H new ATOM 739 N ASP A 49 -3.893 -9.621 -6.619 1.00 0.96 N ATOM 740 CA ASP A 49 -3.424 -10.828 -7.286 1.00 1.02 C ATOM 741 C ASP A 49 -1.886 -10.829 -7.258 1.00 0.82 C ATOM 742 O ASP A 49 -1.275 -9.834 -7.659 1.00 0.74 O ATOM 743 CB ASP A 49 -3.950 -10.901 -8.723 1.00 1.24 C ATOM 744 CG ASP A 49 -3.264 -12.030 -9.491 1.00 2.32 C ATOM 745 OD1 ASP A 49 -2.062 -11.873 -9.811 1.00 3.67 O ATOM 746 OD2 ASP A 49 -3.947 -13.051 -9.701 1.00 2.90 O ATOM 0 H ASP A 49 -4.245 -8.904 -7.253 1.00 0.96 H new ATOM 0 HA ASP A 49 -3.801 -11.708 -6.765 1.00 1.02 H new ATOM 0 HB2 ASP A 49 -5.028 -11.063 -8.713 1.00 1.24 H new ATOM 0 HB3 ASP A 49 -3.775 -9.951 -9.229 1.00 1.24 H new ATOM 751 N PRO A 50 -1.252 -11.900 -6.753 1.00 0.91 N ATOM 752 CA PRO A 50 0.182 -11.941 -6.509 1.00 0.81 C ATOM 753 C PRO A 50 1.008 -12.105 -7.785 1.00 1.00 C ATOM 754 O PRO A 50 2.211 -11.842 -7.756 1.00 1.71 O ATOM 755 CB PRO A 50 0.395 -13.128 -5.567 1.00 1.00 C ATOM 756 CG PRO A 50 -0.743 -14.075 -5.942 1.00 1.30 C ATOM 757 CD PRO A 50 -1.884 -13.122 -6.287 1.00 1.25 C ATOM 0 HA PRO A 50 0.520 -10.997 -6.082 1.00 0.81 H new ATOM 0 HB2 PRO A 50 1.371 -13.591 -5.716 1.00 1.00 H new ATOM 0 HB3 PRO A 50 0.341 -12.827 -4.521 1.00 1.00 H new ATOM 0 HG2 PRO A 50 -0.478 -14.710 -6.788 1.00 1.30 H new ATOM 0 HG3 PRO A 50 -1.006 -14.737 -5.117 1.00 1.30 H new ATOM 0 HD2 PRO A 50 -2.529 -13.547 -7.056 1.00 1.25 H new ATOM 0 HD3 PRO A 50 -2.511 -12.931 -5.416 1.00 1.25 H new ATOM 765 N GLU A 51 0.411 -12.574 -8.885 1.00 0.89 N ATOM 766 CA GLU A 51 1.150 -12.826 -10.109 1.00 1.07 C ATOM 767 C GLU A 51 1.281 -11.516 -10.877 1.00 1.13 C ATOM 768 O GLU A 51 2.371 -11.162 -11.326 1.00 1.73 O ATOM 769 CB GLU A 51 0.462 -13.924 -10.932 1.00 1.43 C ATOM 770 CG GLU A 51 0.455 -15.259 -10.167 1.00 2.00 C ATOM 771 CD GLU A 51 -0.034 -16.432 -11.011 1.00 2.40 C ATOM 772 OE1 GLU A 51 0.053 -16.328 -12.254 1.00 3.46 O ATOM 773 OE2 GLU A 51 -0.460 -17.429 -10.389 1.00 2.90 O ATOM 0 H GLU A 51 -0.585 -12.785 -8.945 1.00 0.89 H new ATOM 0 HA GLU A 51 2.152 -13.191 -9.883 1.00 1.07 H new ATOM 0 HB2 GLU A 51 -0.561 -13.626 -11.161 1.00 1.43 H new ATOM 0 HB3 GLU A 51 0.978 -14.048 -11.884 1.00 1.43 H new ATOM 0 HG2 GLU A 51 1.463 -15.471 -9.810 1.00 2.00 H new ATOM 0 HG3 GLU A 51 -0.181 -15.163 -9.287 1.00 2.00 H new ATOM 780 N ILE A 52 0.173 -10.785 -11.019 1.00 0.89 N ATOM 781 CA ILE A 52 0.185 -9.516 -11.733 1.00 1.01 C ATOM 782 C ILE A 52 0.902 -8.433 -10.922 1.00 0.87 C ATOM 783 O ILE A 52 1.629 -7.625 -11.495 1.00 1.15 O ATOM 784 CB ILE A 52 -1.243 -9.110 -12.133 1.00 1.20 C ATOM 785 CG1 ILE A 52 -1.302 -7.987 -13.182 1.00 2.57 C ATOM 786 CG2 ILE A 52 -2.067 -8.681 -10.921 1.00 1.71 C ATOM 787 CD1 ILE A 52 -0.724 -8.395 -14.541 1.00 3.70 C ATOM 0 H ILE A 52 -0.739 -11.053 -10.649 1.00 0.89 H new ATOM 0 HA ILE A 52 0.754 -9.637 -12.655 1.00 1.01 H new ATOM 0 HB ILE A 52 -1.665 -10.010 -12.581 1.00 1.20 H new ATOM 0 HG12 ILE A 52 -2.339 -7.677 -13.314 1.00 2.57 H new ATOM 0 HG13 ILE A 52 -0.756 -7.121 -12.808 1.00 2.57 H new ATOM 0 HG21 ILE A 52 -3.070 -8.401 -11.243 1.00 1.71 H new ATOM 0 HG22 ILE A 52 -2.131 -9.508 -10.213 1.00 1.71 H new ATOM 0 HG23 ILE A 52 -1.589 -7.827 -10.440 1.00 1.71 H new ATOM 0 HD11 ILE A 52 -0.797 -7.557 -15.234 1.00 3.70 H new ATOM 0 HD12 ILE A 52 0.322 -8.677 -14.422 1.00 3.70 H new ATOM 0 HD13 ILE A 52 -1.285 -9.242 -14.936 1.00 3.70 H new ATOM 799 N ILE A 53 0.674 -8.391 -9.603 1.00 0.60 N ATOM 800 CA ILE A 53 1.188 -7.365 -8.719 1.00 0.63 C ATOM 801 C ILE A 53 1.909 -8.070 -7.570 1.00 0.72 C ATOM 802 O ILE A 53 1.285 -8.696 -6.718 1.00 1.21 O ATOM 803 CB ILE A 53 0.007 -6.478 -8.265 1.00 0.73 C ATOM 804 CG1 ILE A 53 -0.310 -5.353 -9.268 1.00 1.43 C ATOM 805 CG2 ILE A 53 0.205 -5.873 -6.879 1.00 0.87 C ATOM 806 CD1 ILE A 53 0.711 -4.209 -9.300 1.00 0.90 C ATOM 0 H ILE A 53 0.112 -9.092 -9.120 1.00 0.60 H new ATOM 0 HA ILE A 53 1.907 -6.704 -9.202 1.00 0.63 H new ATOM 0 HB ILE A 53 -0.842 -7.160 -8.220 1.00 0.73 H new ATOM 0 HG12 ILE A 53 -0.381 -5.785 -10.266 1.00 1.43 H new ATOM 0 HG13 ILE A 53 -1.290 -4.939 -9.030 1.00 1.43 H new ATOM 0 HG21 ILE A 53 -0.660 -5.262 -6.622 1.00 0.87 H new ATOM 0 HG22 ILE A 53 0.316 -6.672 -6.146 1.00 0.87 H new ATOM 0 HG23 ILE A 53 1.101 -5.252 -6.878 1.00 0.87 H new ATOM 0 HD11 ILE A 53 0.402 -3.466 -10.035 1.00 0.90 H new ATOM 0 HD12 ILE A 53 0.767 -3.744 -8.316 1.00 0.90 H new ATOM 0 HD13 ILE A 53 1.690 -4.603 -9.571 1.00 0.90 H new ATOM 818 N GLY A 54 3.235 -7.951 -7.529 1.00 0.73 N ATOM 819 CA GLY A 54 4.001 -8.350 -6.365 1.00 0.82 C ATOM 820 C GLY A 54 3.947 -7.227 -5.327 1.00 0.74 C ATOM 821 O GLY A 54 3.745 -6.065 -5.688 1.00 0.74 O ATOM 0 H GLY A 54 3.797 -7.579 -8.295 1.00 0.73 H new ATOM 0 HA2 GLY A 54 3.596 -9.271 -5.945 1.00 0.82 H new ATOM 0 HA3 GLY A 54 5.034 -8.554 -6.646 1.00 0.82 H new ATOM 825 N PRO A 55 4.198 -7.530 -4.042 1.00 0.88 N ATOM 826 CA PRO A 55 4.331 -6.507 -3.014 1.00 0.93 C ATOM 827 C PRO A 55 5.416 -5.511 -3.430 1.00 0.73 C ATOM 828 O PRO A 55 5.237 -4.302 -3.313 1.00 0.81 O ATOM 829 CB PRO A 55 4.672 -7.256 -1.723 1.00 1.18 C ATOM 830 CG PRO A 55 5.274 -8.580 -2.195 1.00 1.23 C ATOM 831 CD PRO A 55 4.598 -8.837 -3.544 1.00 1.09 C ATOM 0 HA PRO A 55 3.423 -5.922 -2.869 1.00 0.93 H new ATOM 0 HB2 PRO A 55 5.379 -6.694 -1.113 1.00 1.18 H new ATOM 0 HB3 PRO A 55 3.784 -7.419 -1.113 1.00 1.18 H new ATOM 0 HG2 PRO A 55 6.357 -8.511 -2.298 1.00 1.23 H new ATOM 0 HG3 PRO A 55 5.072 -9.385 -1.488 1.00 1.23 H new ATOM 0 HD2 PRO A 55 5.282 -9.327 -4.237 1.00 1.09 H new ATOM 0 HD3 PRO A 55 3.735 -9.493 -3.430 1.00 1.09 H new ATOM 839 N ARG A 56 6.501 -6.051 -3.996 1.00 0.63 N ATOM 840 CA ARG A 56 7.516 -5.364 -4.783 1.00 0.76 C ATOM 841 C ARG A 56 6.951 -4.147 -5.524 1.00 0.63 C ATOM 842 O ARG A 56 7.449 -3.036 -5.372 1.00 0.68 O ATOM 843 CB ARG A 56 8.057 -6.396 -5.789 1.00 1.43 C ATOM 844 CG ARG A 56 9.085 -5.844 -6.788 1.00 2.34 C ATOM 845 CD ARG A 56 9.318 -6.854 -7.920 1.00 3.91 C ATOM 846 NE ARG A 56 8.112 -6.976 -8.762 1.00 5.83 N ATOM 847 CZ ARG A 56 7.669 -8.073 -9.396 1.00 7.74 C ATOM 848 NH1 ARG A 56 8.455 -9.152 -9.488 1.00 8.18 N ATOM 849 NH2 ARG A 56 6.446 -8.092 -9.928 1.00 9.53 N ATOM 0 H ARG A 56 6.701 -7.047 -3.907 1.00 0.63 H new ATOM 0 HA ARG A 56 8.299 -4.982 -4.128 1.00 0.76 H new ATOM 0 HB2 ARG A 56 8.513 -7.217 -5.236 1.00 1.43 H new ATOM 0 HB3 ARG A 56 7.218 -6.814 -6.346 1.00 1.43 H new ATOM 0 HG2 ARG A 56 8.731 -4.899 -7.201 1.00 2.34 H new ATOM 0 HG3 ARG A 56 10.025 -5.636 -6.277 1.00 2.34 H new ATOM 0 HD2 ARG A 56 10.164 -6.536 -8.530 1.00 3.91 H new ATOM 0 HD3 ARG A 56 9.575 -7.826 -7.500 1.00 3.91 H new ATOM 0 HE ARG A 56 7.552 -6.131 -8.875 1.00 5.83 H new ATOM 0 HH11 ARG A 56 9.388 -9.140 -9.077 1.00 8.18 H new ATOM 0 HH12 ARG A 56 8.121 -9.987 -9.969 1.00 8.18 H new ATOM 0 HH21 ARG A 56 5.845 -7.271 -9.854 1.00 9.53 H new ATOM 0 HH22 ARG A 56 6.112 -8.927 -10.409 1.00 9.53 H new ATOM 863 N ASP A 57 5.943 -4.366 -6.369 1.00 0.59 N ATOM 864 CA ASP A 57 5.483 -3.363 -7.318 1.00 0.59 C ATOM 865 C ASP A 57 4.779 -2.236 -6.572 1.00 0.57 C ATOM 866 O ASP A 57 4.988 -1.052 -6.841 1.00 0.62 O ATOM 867 CB ASP A 57 4.569 -4.024 -8.358 1.00 0.66 C ATOM 868 CG ASP A 57 5.265 -5.184 -9.049 1.00 1.21 C ATOM 869 OD1 ASP A 57 6.433 -5.026 -9.459 1.00 2.18 O ATOM 870 OD2 ASP A 57 4.680 -6.288 -9.094 1.00 2.41 O ATOM 0 H ASP A 57 5.426 -5.244 -6.411 1.00 0.59 H new ATOM 0 HA ASP A 57 6.331 -2.928 -7.848 1.00 0.59 H new ATOM 0 HB2 ASP A 57 3.660 -4.380 -7.872 1.00 0.66 H new ATOM 0 HB3 ASP A 57 4.266 -3.285 -9.100 1.00 0.66 H new ATOM 875 N ILE A 58 3.941 -2.612 -5.608 1.00 0.56 N ATOM 876 CA ILE A 58 3.268 -1.664 -4.737 1.00 0.60 C ATOM 877 C ILE A 58 4.312 -0.826 -3.994 1.00 0.57 C ATOM 878 O ILE A 58 4.244 0.401 -4.034 1.00 0.62 O ATOM 879 CB ILE A 58 2.314 -2.419 -3.801 1.00 0.67 C ATOM 880 CG1 ILE A 58 1.150 -2.987 -4.627 1.00 0.74 C ATOM 881 CG2 ILE A 58 1.776 -1.513 -2.681 1.00 0.80 C ATOM 882 CD1 ILE A 58 0.559 -4.210 -3.935 1.00 0.85 C ATOM 0 H ILE A 58 3.712 -3.587 -5.412 1.00 0.56 H new ATOM 0 HA ILE A 58 2.658 -0.969 -5.314 1.00 0.60 H new ATOM 0 HB ILE A 58 2.867 -3.228 -3.324 1.00 0.67 H new ATOM 0 HG12 ILE A 58 0.380 -2.226 -4.755 1.00 0.74 H new ATOM 0 HG13 ILE A 58 1.500 -3.258 -5.623 1.00 0.74 H new ATOM 0 HG21 ILE A 58 1.105 -2.085 -2.041 1.00 0.80 H new ATOM 0 HG22 ILE A 58 2.608 -1.135 -2.088 1.00 0.80 H new ATOM 0 HG23 ILE A 58 1.233 -0.676 -3.120 1.00 0.80 H new ATOM 0 HD11 ILE A 58 -0.265 -4.603 -4.531 1.00 0.85 H new ATOM 0 HD12 ILE A 58 1.328 -4.976 -3.830 1.00 0.85 H new ATOM 0 HD13 ILE A 58 0.191 -3.928 -2.949 1.00 0.85 H new ATOM 894 N ILE A 59 5.287 -1.473 -3.347 1.00 0.53 N ATOM 895 CA ILE A 59 6.374 -0.794 -2.663 1.00 0.56 C ATOM 896 C ILE A 59 7.036 0.194 -3.626 1.00 0.58 C ATOM 897 O ILE A 59 7.064 1.387 -3.340 1.00 0.62 O ATOM 898 CB ILE A 59 7.345 -1.837 -2.082 1.00 0.60 C ATOM 899 CG1 ILE A 59 6.663 -2.590 -0.925 1.00 0.69 C ATOM 900 CG2 ILE A 59 8.634 -1.171 -1.593 1.00 0.69 C ATOM 901 CD1 ILE A 59 7.335 -3.934 -0.640 1.00 1.18 C ATOM 0 H ILE A 59 5.337 -2.490 -3.287 1.00 0.53 H new ATOM 0 HA ILE A 59 6.006 -0.211 -1.819 1.00 0.56 H new ATOM 0 HB ILE A 59 7.608 -2.544 -2.868 1.00 0.60 H new ATOM 0 HG12 ILE A 59 6.689 -1.974 -0.026 1.00 0.69 H new ATOM 0 HG13 ILE A 59 5.613 -2.754 -1.168 1.00 0.69 H new ATOM 0 HG21 ILE A 59 9.304 -1.929 -1.187 1.00 0.69 H new ATOM 0 HG22 ILE A 59 9.121 -0.665 -2.427 1.00 0.69 H new ATOM 0 HG23 ILE A 59 8.396 -0.444 -0.817 1.00 0.69 H new ATOM 0 HD11 ILE A 59 6.821 -4.430 0.183 1.00 1.18 H new ATOM 0 HD12 ILE A 59 7.285 -4.562 -1.530 1.00 1.18 H new ATOM 0 HD13 ILE A 59 8.378 -3.769 -0.370 1.00 1.18 H new ATOM 913 N HIS A 60 7.494 -0.279 -4.791 1.00 0.61 N ATOM 914 CA HIS A 60 8.100 0.571 -5.809 1.00 0.72 C ATOM 915 C HIS A 60 7.204 1.768 -6.139 1.00 0.73 C ATOM 916 O HIS A 60 7.695 2.885 -6.286 1.00 0.79 O ATOM 917 CB HIS A 60 8.392 -0.227 -7.087 1.00 0.84 C ATOM 918 CG HIS A 60 9.412 -1.332 -6.971 1.00 1.53 C ATOM 919 ND1 HIS A 60 9.730 -2.212 -7.980 1.00 2.59 N ATOM 920 CD2 HIS A 60 10.221 -1.623 -5.900 1.00 2.41 C ATOM 921 CE1 HIS A 60 10.713 -3.010 -7.530 1.00 3.49 C ATOM 922 NE2 HIS A 60 11.037 -2.700 -6.266 1.00 3.51 N ATOM 0 H HIS A 60 7.452 -1.265 -5.050 1.00 0.61 H new ATOM 0 HA HIS A 60 9.040 0.944 -5.403 1.00 0.72 H new ATOM 0 HB2 HIS A 60 7.457 -0.662 -7.439 1.00 0.84 H new ATOM 0 HB3 HIS A 60 8.729 0.469 -7.855 1.00 0.84 H new ATOM 0 HD2 HIS A 60 10.227 -1.113 -4.948 1.00 2.41 H new ATOM 0 HE1 HIS A 60 11.179 -3.795 -8.108 1.00 3.49 H new ATOM 0 HE2 HIS A 60 11.739 -3.159 -5.686 1.00 3.51 H new ATOM 930 N THR A 61 5.891 1.557 -6.259 1.00 0.72 N ATOM 931 CA THR A 61 4.977 2.658 -6.530 1.00 0.79 C ATOM 932 C THR A 61 5.025 3.667 -5.379 1.00 0.80 C ATOM 933 O THR A 61 5.204 4.862 -5.597 1.00 0.89 O ATOM 934 CB THR A 61 3.555 2.136 -6.783 1.00 0.80 C ATOM 935 OG1 THR A 61 3.578 1.143 -7.791 1.00 0.88 O ATOM 936 CG2 THR A 61 2.642 3.272 -7.250 1.00 1.04 C ATOM 0 H THR A 61 5.445 0.644 -6.173 1.00 0.72 H new ATOM 0 HA THR A 61 5.291 3.172 -7.439 1.00 0.79 H new ATOM 0 HB THR A 61 3.177 1.719 -5.849 1.00 0.80 H new ATOM 0 HG1 THR A 61 3.990 0.327 -7.437 1.00 0.88 H new ATOM 0 HG21 THR A 61 1.638 2.884 -7.424 1.00 1.04 H new ATOM 0 HG22 THR A 61 2.603 4.046 -6.484 1.00 1.04 H new ATOM 0 HG23 THR A 61 3.033 3.696 -8.175 1.00 1.04 H new ATOM 944 N ILE A 62 4.869 3.186 -4.147 1.00 0.74 N ATOM 945 CA ILE A 62 4.833 4.004 -2.940 1.00 0.72 C ATOM 946 C ILE A 62 6.142 4.799 -2.761 1.00 0.66 C ATOM 947 O ILE A 62 6.107 5.996 -2.452 1.00 0.69 O ATOM 948 CB ILE A 62 4.405 3.090 -1.769 1.00 0.66 C ATOM 949 CG1 ILE A 62 2.890 3.208 -1.518 1.00 0.93 C ATOM 950 CG2 ILE A 62 5.118 3.355 -0.444 1.00 0.71 C ATOM 951 CD1 ILE A 62 2.041 2.798 -2.720 1.00 2.60 C ATOM 0 H ILE A 62 4.761 2.190 -3.958 1.00 0.74 H new ATOM 0 HA ILE A 62 4.089 4.798 -2.997 1.00 0.72 H new ATOM 0 HB ILE A 62 4.691 2.089 -2.093 1.00 0.66 H new ATOM 0 HG12 ILE A 62 2.621 2.586 -0.664 1.00 0.93 H new ATOM 0 HG13 ILE A 62 2.653 4.238 -1.250 1.00 0.93 H new ATOM 0 HG21 ILE A 62 4.748 2.663 0.313 1.00 0.71 H new ATOM 0 HG22 ILE A 62 6.191 3.212 -0.573 1.00 0.71 H new ATOM 0 HG23 ILE A 62 4.924 4.379 -0.125 1.00 0.71 H new ATOM 0 HD11 ILE A 62 0.985 2.906 -2.473 1.00 2.60 H new ATOM 0 HD12 ILE A 62 2.282 3.436 -3.570 1.00 2.60 H new ATOM 0 HD13 ILE A 62 2.250 1.759 -2.975 1.00 2.60 H new ATOM 963 N GLU A 63 7.284 4.168 -3.039 1.00 0.67 N ATOM 964 CA GLU A 63 8.574 4.836 -3.153 1.00 0.80 C ATOM 965 C GLU A 63 8.509 5.916 -4.235 1.00 0.79 C ATOM 966 O GLU A 63 8.828 7.077 -3.984 1.00 0.86 O ATOM 967 CB GLU A 63 9.660 3.796 -3.461 1.00 0.91 C ATOM 968 CG GLU A 63 9.874 2.833 -2.281 1.00 0.86 C ATOM 969 CD GLU A 63 10.827 1.691 -2.618 1.00 0.91 C ATOM 970 OE1 GLU A 63 11.005 1.421 -3.825 1.00 2.02 O ATOM 971 OE2 GLU A 63 11.354 1.098 -1.653 1.00 1.76 O ATOM 0 H GLU A 63 7.335 3.161 -3.193 1.00 0.67 H new ATOM 0 HA GLU A 63 8.824 5.324 -2.211 1.00 0.80 H new ATOM 0 HB2 GLU A 63 9.379 3.228 -4.348 1.00 0.91 H new ATOM 0 HB3 GLU A 63 10.596 4.304 -3.691 1.00 0.91 H new ATOM 0 HG2 GLU A 63 10.267 3.389 -1.430 1.00 0.86 H new ATOM 0 HG3 GLU A 63 8.913 2.420 -1.975 1.00 0.86 H new ATOM 978 N SER A 64 8.079 5.533 -5.441 1.00 0.74 N ATOM 979 CA SER A 64 8.026 6.420 -6.594 1.00 0.77 C ATOM 980 C SER A 64 7.100 7.615 -6.361 1.00 0.75 C ATOM 981 O SER A 64 7.298 8.648 -6.996 1.00 0.92 O ATOM 982 CB SER A 64 7.616 5.651 -7.855 1.00 0.81 C ATOM 983 OG SER A 64 7.788 6.469 -8.999 1.00 1.44 O ATOM 0 H SER A 64 7.756 4.586 -5.640 1.00 0.74 H new ATOM 0 HA SER A 64 9.031 6.816 -6.740 1.00 0.77 H new ATOM 0 HB2 SER A 64 8.217 4.747 -7.951 1.00 0.81 H new ATOM 0 HB3 SER A 64 6.576 5.336 -7.776 1.00 0.81 H new ATOM 0 HG SER A 64 7.525 5.970 -9.800 1.00 1.44 H new ATOM 989 N LEU A 65 6.080 7.480 -5.506 1.00 0.65 N ATOM 990 CA LEU A 65 5.331 8.623 -5.016 1.00 0.64 C ATOM 991 C LEU A 65 6.257 9.483 -4.150 1.00 0.79 C ATOM 992 O LEU A 65 6.805 10.467 -4.641 1.00 1.08 O ATOM 993 CB LEU A 65 4.063 8.172 -4.273 1.00 0.69 C ATOM 994 CG LEU A 65 3.018 7.478 -5.164 1.00 0.83 C ATOM 995 CD1 LEU A 65 1.850 7.007 -4.291 1.00 2.02 C ATOM 996 CD2 LEU A 65 2.489 8.392 -6.275 1.00 1.46 C ATOM 0 H LEU A 65 5.760 6.582 -5.143 1.00 0.65 H new ATOM 0 HA LEU A 65 4.984 9.232 -5.850 1.00 0.64 H new ATOM 0 HB2 LEU A 65 4.349 7.491 -3.471 1.00 0.69 H new ATOM 0 HB3 LEU A 65 3.603 9.041 -3.804 1.00 0.69 H new ATOM 0 HG LEU A 65 3.507 6.633 -5.648 1.00 0.83 H new ATOM 0 HD11 LEU A 65 1.105 6.514 -4.915 1.00 2.02 H new ATOM 0 HD12 LEU A 65 2.216 6.306 -3.541 1.00 2.02 H new ATOM 0 HD13 LEU A 65 1.397 7.866 -3.795 1.00 2.02 H new ATOM 0 HD21 LEU A 65 1.755 7.851 -6.873 1.00 1.46 H new ATOM 0 HD22 LEU A 65 2.019 9.270 -5.831 1.00 1.46 H new ATOM 0 HD23 LEU A 65 3.316 8.706 -6.912 1.00 1.46 H new ATOM 1008 N GLY A 66 6.396 9.182 -2.855 1.00 0.78 N ATOM 1009 CA GLY A 66 7.435 9.823 -2.054 1.00 1.02 C ATOM 1010 C GLY A 66 7.772 9.099 -0.753 1.00 0.99 C ATOM 1011 O GLY A 66 8.254 9.750 0.173 1.00 1.24 O ATOM 0 H GLY A 66 5.814 8.513 -2.351 1.00 0.78 H new ATOM 0 HA2 GLY A 66 8.341 9.903 -2.655 1.00 1.02 H new ATOM 0 HA3 GLY A 66 7.118 10.839 -1.818 1.00 1.02 H new ATOM 1015 N PHE A 67 7.423 7.817 -0.605 1.00 0.79 N ATOM 1016 CA PHE A 67 7.071 7.286 0.710 1.00 0.64 C ATOM 1017 C PHE A 67 7.784 5.963 0.989 1.00 0.72 C ATOM 1018 O PHE A 67 8.097 5.216 0.069 1.00 1.17 O ATOM 1019 CB PHE A 67 5.547 7.133 0.745 1.00 0.58 C ATOM 1020 CG PHE A 67 4.764 8.376 0.362 1.00 0.72 C ATOM 1021 CD1 PHE A 67 5.091 9.628 0.917 1.00 1.86 C ATOM 1022 CD2 PHE A 67 3.724 8.285 -0.584 1.00 1.53 C ATOM 1023 CE1 PHE A 67 4.341 10.765 0.583 1.00 1.99 C ATOM 1024 CE2 PHE A 67 2.939 9.414 -0.875 1.00 1.49 C ATOM 1025 CZ PHE A 67 3.214 10.638 -0.244 1.00 0.93 C ATOM 0 H PHE A 67 7.378 7.140 -1.367 1.00 0.79 H new ATOM 0 HA PHE A 67 7.396 7.967 1.496 1.00 0.64 H new ATOM 0 HB2 PHE A 67 5.264 6.323 0.073 1.00 0.58 H new ATOM 0 HB3 PHE A 67 5.251 6.832 1.750 1.00 0.58 H new ATOM 0 HD1 PHE A 67 5.922 9.713 1.602 1.00 1.86 H new ATOM 0 HD2 PHE A 67 3.530 7.348 -1.085 1.00 1.53 H new ATOM 0 HE1 PHE A 67 4.630 11.735 0.961 1.00 1.99 H new ATOM 0 HE2 PHE A 67 2.126 9.340 -1.582 1.00 1.49 H new ATOM 0 HZ PHE A 67 2.558 11.482 -0.395 1.00 0.93 H new ATOM 1035 N GLU A 68 8.029 5.672 2.266 1.00 0.58 N ATOM 1036 CA GLU A 68 8.659 4.441 2.712 1.00 0.63 C ATOM 1037 C GLU A 68 7.607 3.333 2.688 1.00 0.80 C ATOM 1038 O GLU A 68 6.409 3.618 2.632 1.00 1.31 O ATOM 1039 CB GLU A 68 9.233 4.711 4.118 1.00 0.86 C ATOM 1040 CG GLU A 68 9.718 3.494 4.928 1.00 2.51 C ATOM 1041 CD GLU A 68 8.615 2.730 5.669 1.00 3.91 C ATOM 1042 OE1 GLU A 68 7.452 3.179 5.596 1.00 4.80 O ATOM 1043 OE2 GLU A 68 8.951 1.707 6.302 1.00 4.86 O ATOM 0 H GLU A 68 7.788 6.302 3.031 1.00 0.58 H new ATOM 0 HA GLU A 68 9.477 4.117 2.069 1.00 0.63 H new ATOM 0 HB2 GLU A 68 10.069 5.402 4.014 1.00 0.86 H new ATOM 0 HB3 GLU A 68 8.468 5.222 4.702 1.00 0.86 H new ATOM 0 HG2 GLU A 68 10.226 2.805 4.253 1.00 2.51 H new ATOM 0 HG3 GLU A 68 10.457 3.831 5.655 1.00 2.51 H new ATOM 1050 N ALA A 69 8.047 2.072 2.743 1.00 0.69 N ATOM 1051 CA ALA A 69 7.176 0.986 3.140 1.00 0.68 C ATOM 1052 C ALA A 69 7.972 -0.144 3.773 1.00 0.77 C ATOM 1053 O ALA A 69 9.163 -0.289 3.503 1.00 0.94 O ATOM 1054 CB ALA A 69 6.390 0.458 1.943 1.00 0.90 C ATOM 0 H ALA A 69 9.000 1.789 2.516 1.00 0.69 H new ATOM 0 HA ALA A 69 6.475 1.376 3.878 1.00 0.68 H new ATOM 0 HB1 ALA A 69 5.742 -0.357 2.264 1.00 0.90 H new ATOM 0 HB2 ALA A 69 5.783 1.260 1.524 1.00 0.90 H new ATOM 0 HB3 ALA A 69 7.083 0.094 1.185 1.00 0.90 H new ATOM 1060 N SER A 70 7.299 -0.975 4.571 1.00 0.83 N ATOM 1061 CA SER A 70 7.873 -2.177 5.151 1.00 1.00 C ATOM 1062 C SER A 70 6.739 -3.160 5.456 1.00 0.98 C ATOM 1063 O SER A 70 5.705 -2.759 5.983 1.00 1.03 O ATOM 1064 CB SER A 70 8.655 -1.800 6.415 1.00 1.14 C ATOM 1065 OG SER A 70 9.413 -2.907 6.866 1.00 2.53 O ATOM 0 H SER A 70 6.325 -0.824 4.833 1.00 0.83 H new ATOM 0 HA SER A 70 8.566 -2.655 4.459 1.00 1.00 H new ATOM 0 HB2 SER A 70 9.315 -0.958 6.206 1.00 1.14 H new ATOM 0 HB3 SER A 70 7.966 -1.479 7.196 1.00 1.14 H new ATOM 0 HG SER A 70 9.910 -2.656 7.672 1.00 2.53 H new ATOM 1071 N LEU A 71 6.897 -4.441 5.109 1.00 1.04 N ATOM 1072 CA LEU A 71 5.902 -5.465 5.407 1.00 1.08 C ATOM 1073 C LEU A 71 6.037 -5.890 6.871 1.00 1.22 C ATOM 1074 O LEU A 71 7.102 -6.340 7.283 1.00 1.74 O ATOM 1075 CB LEU A 71 6.005 -6.660 4.439 1.00 1.35 C ATOM 1076 CG LEU A 71 7.427 -7.205 4.199 1.00 1.52 C ATOM 1077 CD1 LEU A 71 7.382 -8.733 4.075 1.00 2.23 C ATOM 1078 CD2 LEU A 71 8.029 -6.629 2.908 1.00 2.33 C ATOM 0 H LEU A 71 7.717 -4.792 4.615 1.00 1.04 H new ATOM 0 HA LEU A 71 4.906 -5.048 5.259 1.00 1.08 H new ATOM 0 HB2 LEU A 71 5.385 -7.470 4.824 1.00 1.35 H new ATOM 0 HB3 LEU A 71 5.582 -6.364 3.479 1.00 1.35 H new ATOM 0 HG LEU A 71 8.046 -6.909 5.046 1.00 1.52 H new ATOM 0 HD11 LEU A 71 8.389 -9.114 3.905 1.00 2.23 H new ATOM 0 HD12 LEU A 71 6.982 -9.161 4.994 1.00 2.23 H new ATOM 0 HD13 LEU A 71 6.743 -9.011 3.237 1.00 2.23 H new ATOM 0 HD21 LEU A 71 9.032 -7.030 2.764 1.00 2.33 H new ATOM 0 HD22 LEU A 71 7.402 -6.905 2.060 1.00 2.33 H new ATOM 0 HD23 LEU A 71 8.080 -5.543 2.983 1.00 2.33 H new