USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 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 17 SER OG : rot 62:sc= 1.98 USER MOD Set 1.2: A 40 TYR OH : rot 173:sc= -2.98! USER MOD Set 1.3: A 48 THR OG1 : rot -24:sc= 1.41 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00166 USER MOD Single : A 46 MET CE :methyl -125:sc= 0 (180deg=-0.841) USER MOD Single : A 54 SER OG : rot 84:sc= 0.236 USER MOD Single : A 56 TYR OH : rot -126:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -39:sc= 0.452 USER MOD Single : A 79 ASN : amide:sc= 0.514 K(o=0.51,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.214 -6.701 -1.102 1.00 0.66 N ATOM 45 CA LEU A 4 11.046 -6.463 -1.901 1.00 0.56 C ATOM 46 C LEU A 4 9.820 -6.945 -1.192 1.00 0.50 C ATOM 47 O LEU A 4 9.643 -8.152 -0.981 1.00 0.76 O ATOM 48 CB LEU A 4 11.171 -7.126 -3.278 1.00 0.65 C ATOM 49 CG LEU A 4 12.366 -6.684 -4.139 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.387 -7.446 -5.451 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.324 -5.183 -4.399 1.00 0.86 C ATOM 0 HA LEU A 4 10.957 -5.388 -2.056 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.233 -8.205 -3.134 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.256 -6.931 -3.837 1.00 0.65 H new ATOM 0 HG LEU A 4 13.280 -6.910 -3.590 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.239 -7.120 -6.047 1.00 0.96 H new ATOM 0 HD12 LEU A 4 12.472 -8.514 -5.250 1.00 0.96 H new ATOM 0 HD13 LEU A 4 11.465 -7.252 -5.999 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.180 -4.895 -5.010 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.402 -4.930 -4.923 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.360 -4.648 -3.450 1.00 0.86 H new ATOM 63 N LEU A 5 8.999 -6.009 -0.777 1.00 0.36 N ATOM 64 CA LEU A 5 7.752 -6.347 -0.148 1.00 0.36 C ATOM 65 C LEU A 5 6.835 -6.917 -1.185 1.00 0.39 C ATOM 66 O LEU A 5 6.721 -6.369 -2.282 1.00 0.52 O ATOM 67 CB LEU A 5 7.073 -5.142 0.496 1.00 0.42 C ATOM 68 CG LEU A 5 7.836 -4.400 1.580 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.929 -3.363 2.199 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.368 -5.356 2.640 1.00 0.54 C ATOM 0 H LEU A 5 9.176 -5.008 -0.865 1.00 0.36 H new ATOM 0 HA LEU A 5 7.964 -7.066 0.643 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.834 -4.430 -0.294 1.00 0.42 H new ATOM 0 HB3 LEU A 5 6.127 -5.477 0.921 1.00 0.42 H new ATOM 0 HG LEU A 5 8.699 -3.908 1.131 1.00 0.51 H new ATOM 0 HD11 LEU A 5 7.469 -2.826 2.978 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.604 -2.660 1.432 1.00 0.61 H new ATOM 0 HD13 LEU A 5 6.058 -3.854 2.634 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.909 -4.792 3.400 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.535 -5.885 3.104 1.00 0.54 H new ATOM 0 HD23 LEU A 5 9.041 -6.076 2.175 1.00 0.54 H new ATOM 82 N THR A 6 6.218 -7.988 -0.869 1.00 0.36 N ATOM 83 CA THR A 6 5.338 -8.617 -1.789 1.00 0.41 C ATOM 84 C THR A 6 3.866 -8.434 -1.403 1.00 0.30 C ATOM 85 O THR A 6 3.543 -7.631 -0.497 1.00 0.24 O ATOM 86 CB THR A 6 5.728 -10.093 -2.054 1.00 0.56 C ATOM 87 OG1 THR A 6 6.039 -10.757 -0.814 1.00 0.59 O ATOM 88 CG2 THR A 6 6.936 -10.176 -2.982 1.00 0.79 C ATOM 0 H THR A 6 6.304 -8.458 0.032 1.00 0.36 H new ATOM 0 HA THR A 6 5.455 -8.105 -2.744 1.00 0.41 H new ATOM 0 HB THR A 6 4.879 -10.584 -2.530 1.00 0.56 H new ATOM 0 HG1 THR A 6 6.282 -11.689 -0.994 1.00 0.59 H new ATOM 0 HG21 THR A 6 7.192 -11.222 -3.154 1.00 0.79 H new ATOM 0 HG22 THR A 6 6.698 -9.700 -3.933 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.783 -9.666 -2.523 1.00 0.79 H new ATOM 96 N THR A 7 3.007 -9.159 -2.090 1.00 0.33 N ATOM 97 CA THR A 7 1.565 -9.137 -1.927 1.00 0.32 C ATOM 98 C THR A 7 1.130 -9.214 -0.441 1.00 0.24 C ATOM 99 O THR A 7 0.293 -8.423 0.001 1.00 0.26 O ATOM 100 CB THR A 7 0.978 -10.332 -2.716 1.00 0.44 C ATOM 101 OG1 THR A 7 1.308 -10.211 -4.111 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.518 -10.443 -2.552 1.00 0.55 C ATOM 0 H THR A 7 3.309 -9.812 -2.813 1.00 0.33 H new ATOM 0 HA THR A 7 1.187 -8.188 -2.308 1.00 0.32 H new ATOM 0 HB THR A 7 1.422 -11.240 -2.308 1.00 0.44 H new ATOM 0 HG1 THR A 7 0.934 -10.972 -4.603 1.00 0.55 H new ATOM 0 HG21 THR A 7 -0.884 -11.296 -3.124 1.00 0.55 H new ATOM 0 HG22 THR A 7 -0.759 -10.582 -1.498 1.00 0.55 H new ATOM 0 HG23 THR A 7 -0.993 -9.532 -2.916 1.00 0.55 H new ATOM 110 N ASP A 8 1.707 -10.141 0.314 1.00 0.28 N ATOM 111 CA ASP A 8 1.320 -10.345 1.713 1.00 0.31 C ATOM 112 C ASP A 8 1.571 -9.118 2.571 1.00 0.24 C ATOM 113 O ASP A 8 0.690 -8.705 3.306 1.00 0.28 O ATOM 114 CB ASP A 8 2.009 -11.561 2.330 1.00 0.46 C ATOM 115 CG ASP A 8 1.552 -11.827 3.757 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.411 -12.320 3.953 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.316 -11.566 4.705 1.00 1.61 O ATOM 0 H ASP A 8 2.444 -10.765 -0.014 1.00 0.28 H new ATOM 0 HA ASP A 8 0.246 -10.530 1.695 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.806 -12.439 1.717 1.00 0.46 H new ATOM 0 HB3 ASP A 8 3.088 -11.407 2.320 1.00 0.46 H new ATOM 122 N ASP A 9 2.747 -8.511 2.433 1.00 0.24 N ATOM 123 CA ASP A 9 3.125 -7.325 3.243 1.00 0.28 C ATOM 124 C ASP A 9 2.222 -6.183 2.917 1.00 0.24 C ATOM 125 O ASP A 9 1.748 -5.467 3.806 1.00 0.30 O ATOM 126 CB ASP A 9 4.549 -6.874 2.957 1.00 0.38 C ATOM 127 CG ASP A 9 5.379 -6.750 4.203 1.00 1.05 C ATOM 128 OD1 ASP A 9 5.153 -5.818 5.005 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.314 -7.578 4.373 1.00 1.78 O ATOM 0 H ASP A 9 3.464 -8.810 1.772 1.00 0.24 H new ATOM 0 HA ASP A 9 3.041 -7.615 4.290 1.00 0.28 H new ATOM 0 HB2 ASP A 9 5.022 -7.585 2.280 1.00 0.38 H new ATOM 0 HB3 ASP A 9 4.525 -5.913 2.444 1.00 0.38 H new ATOM 134 N LEU A 10 1.969 -6.024 1.632 1.00 0.19 N ATOM 135 CA LEU A 10 1.080 -5.005 1.145 1.00 0.23 C ATOM 136 C LEU A 10 -0.298 -5.225 1.753 1.00 0.24 C ATOM 137 O LEU A 10 -0.875 -4.320 2.344 1.00 0.30 O ATOM 138 CB LEU A 10 1.008 -5.066 -0.379 1.00 0.27 C ATOM 139 CG LEU A 10 0.171 -3.991 -1.067 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.771 -2.608 -0.843 1.00 0.47 C ATOM 141 CD2 LEU A 10 0.048 -4.291 -2.543 1.00 0.47 C ATOM 0 H LEU A 10 2.379 -6.604 0.900 1.00 0.19 H new ATOM 0 HA LEU A 10 1.448 -4.020 1.431 1.00 0.23 H new ATOM 0 HB2 LEU A 10 2.024 -5.010 -0.771 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.611 -6.041 -0.663 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.827 -3.996 -0.628 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.156 -1.859 -1.343 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.805 -2.395 0.225 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.781 -2.579 -1.251 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.551 -3.517 -3.023 1.00 0.47 H new ATOM 0 HD22 LEU A 10 1.040 -4.313 -2.994 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.434 -5.259 -2.679 1.00 0.47 H new ATOM 153 N ARG A 11 -0.791 -6.453 1.635 1.00 0.24 N ATOM 154 CA ARG A 11 -2.067 -6.843 2.212 1.00 0.30 C ATOM 155 C ARG A 11 -2.125 -6.518 3.707 1.00 0.33 C ATOM 156 O ARG A 11 -3.105 -5.964 4.163 1.00 0.38 O ATOM 157 CB ARG A 11 -2.356 -8.323 1.981 1.00 0.36 C ATOM 158 CG ARG A 11 -3.708 -8.767 2.521 1.00 0.51 C ATOM 159 CD ARG A 11 -3.929 -10.254 2.342 1.00 0.73 C ATOM 160 NE ARG A 11 -2.920 -11.044 3.036 1.00 0.97 N ATOM 161 CZ ARG A 11 -3.174 -11.977 3.957 1.00 1.30 C ATOM 162 NH1 ARG A 11 -4.438 -12.282 4.294 1.00 1.81 N ATOM 163 NH2 ARG A 11 -2.164 -12.613 4.526 1.00 1.98 N ATOM 0 H ARG A 11 -0.315 -7.205 1.136 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.838 -6.263 1.705 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.314 -8.531 0.912 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.572 -8.916 2.452 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.776 -8.515 3.579 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.500 -8.219 2.011 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.918 -10.521 2.715 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -3.912 -10.498 1.280 1.00 0.73 H new ATOM 0 HE ARG A 11 -1.943 -10.871 2.800 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -5.216 -11.799 3.845 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -4.620 -12.997 4.999 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -1.205 -12.389 4.260 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -2.344 -13.328 5.231 1.00 1.98 H new ATOM 177 N ARG A 12 -1.048 -6.854 4.452 1.00 0.33 N ATOM 178 CA ARG A 12 -0.969 -6.575 5.911 1.00 0.39 C ATOM 179 C ARG A 12 -1.237 -5.112 6.154 1.00 0.39 C ATOM 180 O ARG A 12 -2.074 -4.748 6.976 1.00 0.48 O ATOM 181 CB ARG A 12 0.429 -6.860 6.481 1.00 0.49 C ATOM 182 CG ARG A 12 0.967 -8.246 6.278 1.00 0.77 C ATOM 183 CD ARG A 12 2.384 -8.327 6.801 1.00 0.90 C ATOM 184 NE ARG A 12 3.074 -9.533 6.346 1.00 1.28 N ATOM 185 CZ ARG A 12 4.342 -9.835 6.609 1.00 1.77 C ATOM 186 NH1 ARG A 12 5.066 -9.077 7.428 1.00 2.08 N ATOM 187 NH2 ARG A 12 4.881 -10.902 6.055 1.00 2.59 N ATOM 0 H ARG A 12 -0.222 -7.317 4.072 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.702 -7.220 6.395 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.129 -6.154 6.035 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.409 -6.656 7.551 1.00 0.49 H new ATOM 0 HG2 ARG A 12 0.337 -8.970 6.795 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.945 -8.503 5.219 1.00 0.77 H new ATOM 0 HD2 ARG A 12 2.940 -7.448 6.475 1.00 0.90 H new ATOM 0 HD3 ARG A 12 2.369 -8.309 7.891 1.00 0.90 H new ATOM 0 HE ARG A 12 2.541 -10.195 5.782 1.00 1.28 H new ATOM 0 HH11 ARG A 12 4.649 -8.253 7.862 1.00 2.08 H new ATOM 0 HH12 ARG A 12 6.038 -9.319 7.622 1.00 2.08 H new ATOM 0 HH21 ARG A 12 4.326 -11.488 5.431 1.00 2.59 H new ATOM 0 HH22 ARG A 12 5.853 -11.142 6.250 1.00 2.59 H new ATOM 201 N ALA A 13 -0.538 -4.285 5.391 1.00 0.35 N ATOM 202 CA ALA A 13 -0.640 -2.857 5.498 1.00 0.41 C ATOM 203 C ALA A 13 -2.058 -2.389 5.228 1.00 0.42 C ATOM 204 O ALA A 13 -2.600 -1.608 5.999 1.00 0.50 O ATOM 205 CB ALA A 13 0.353 -2.180 4.569 1.00 0.48 C ATOM 0 H ALA A 13 0.119 -4.600 4.677 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.392 -2.572 6.520 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.261 -1.098 4.664 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.366 -2.483 4.836 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.146 -2.473 3.540 1.00 0.48 H new ATOM 211 N LEU A 14 -2.672 -2.902 4.170 1.00 0.41 N ATOM 212 CA LEU A 14 -4.043 -2.530 3.849 1.00 0.49 C ATOM 213 C LEU A 14 -5.038 -3.013 4.908 1.00 0.55 C ATOM 214 O LEU A 14 -5.870 -2.239 5.370 1.00 0.72 O ATOM 215 CB LEU A 14 -4.485 -2.944 2.420 1.00 0.51 C ATOM 216 CG LEU A 14 -4.018 -2.047 1.239 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.532 -2.119 1.005 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.770 -2.375 -0.034 1.00 0.92 C ATOM 0 H LEU A 14 -2.248 -3.570 3.526 1.00 0.41 H new ATOM 0 HA LEU A 14 -4.052 -1.440 3.860 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -4.126 -3.957 2.236 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.574 -2.984 2.403 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.249 -1.022 1.527 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.264 -1.473 0.169 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -2.006 -1.790 1.901 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.249 -3.146 0.775 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.420 -1.730 -0.840 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.596 -3.417 -0.301 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -5.837 -2.214 0.122 1.00 0.92 H new ATOM 230 N VAL A 15 -4.908 -4.264 5.332 1.00 0.51 N ATOM 231 CA VAL A 15 -5.779 -4.844 6.370 1.00 0.60 C ATOM 232 C VAL A 15 -5.702 -4.008 7.653 1.00 0.58 C ATOM 233 O VAL A 15 -6.722 -3.576 8.189 1.00 0.66 O ATOM 234 CB VAL A 15 -5.379 -6.325 6.688 1.00 0.69 C ATOM 235 CG1 VAL A 15 -6.189 -6.882 7.856 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.590 -7.207 5.468 1.00 0.76 C ATOM 0 H VAL A 15 -4.203 -4.909 4.974 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.800 -4.837 5.988 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.324 -6.325 6.962 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -5.887 -7.911 8.050 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -6.009 -6.277 8.745 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -7.250 -6.856 7.608 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -5.307 -8.232 5.707 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.640 -7.179 5.176 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.975 -6.843 4.645 1.00 0.76 H new ATOM 246 N GLU A 16 -4.495 -3.766 8.117 1.00 0.55 N ATOM 247 CA GLU A 16 -4.278 -3.027 9.347 1.00 0.63 C ATOM 248 C GLU A 16 -4.650 -1.537 9.228 1.00 0.58 C ATOM 249 O GLU A 16 -4.949 -0.890 10.232 1.00 0.67 O ATOM 250 CB GLU A 16 -2.847 -3.230 9.836 1.00 0.82 C ATOM 251 CG GLU A 16 -2.555 -4.684 10.192 1.00 1.16 C ATOM 252 CD GLU A 16 -1.122 -4.931 10.565 1.00 1.67 C ATOM 253 OE1 GLU A 16 -0.744 -4.674 11.731 1.00 1.83 O ATOM 254 OE2 GLU A 16 -0.336 -5.394 9.715 1.00 2.43 O ATOM 0 H GLU A 16 -3.638 -4.073 7.656 1.00 0.55 H new ATOM 0 HA GLU A 16 -4.957 -3.431 10.098 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.152 -2.901 9.063 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.672 -2.603 10.710 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -3.195 -4.983 11.022 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -2.816 -5.317 9.344 1.00 1.16 H new ATOM 261 N SER A 17 -4.640 -0.999 8.017 1.00 0.52 N ATOM 262 CA SER A 17 -5.060 0.382 7.811 1.00 0.62 C ATOM 263 C SER A 17 -6.585 0.460 7.780 1.00 0.70 C ATOM 264 O SER A 17 -7.191 1.289 8.456 1.00 0.94 O ATOM 265 CB SER A 17 -4.477 0.950 6.515 1.00 0.67 C ATOM 266 OG SER A 17 -3.050 0.905 6.525 1.00 1.26 O ATOM 0 H SER A 17 -4.350 -1.489 7.171 1.00 0.52 H new ATOM 0 HA SER A 17 -4.684 0.981 8.640 1.00 0.62 H new ATOM 0 HB2 SER A 17 -4.855 0.383 5.664 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.810 1.980 6.385 1.00 0.67 H new ATOM 0 HG SER A 17 -2.753 -0.026 6.594 1.00 1.26 H new ATOM 412 N PHE A 30 -5.222 -9.226 -5.591 1.00 0.50 N ATOM 413 CA PHE A 30 -5.865 -7.961 -5.321 1.00 0.39 C ATOM 414 C PHE A 30 -5.061 -6.822 -5.924 1.00 0.32 C ATOM 415 O PHE A 30 -5.465 -5.672 -5.852 1.00 0.31 O ATOM 416 CB PHE A 30 -6.052 -7.728 -3.807 1.00 0.39 C ATOM 417 CG PHE A 30 -4.789 -7.436 -3.023 1.00 0.38 C ATOM 418 CD1 PHE A 30 -3.956 -8.449 -2.607 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.455 -6.127 -2.693 1.00 0.41 C ATOM 420 CE1 PHE A 30 -2.821 -8.170 -1.880 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.322 -5.847 -1.965 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.502 -6.871 -1.559 1.00 0.53 C ATOM 0 HA PHE A 30 -6.853 -7.990 -5.781 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.743 -6.896 -3.669 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.527 -8.611 -3.379 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.195 -9.473 -2.853 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -5.095 -5.318 -3.013 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.177 -8.976 -1.560 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -3.078 -4.825 -1.714 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.610 -6.657 -0.990 1.00 0.53 H new ATOM 432 N LEU A 31 -3.909 -7.150 -6.514 1.00 0.33 N ATOM 433 CA LEU A 31 -3.021 -6.156 -7.116 1.00 0.32 C ATOM 434 C LEU A 31 -3.732 -5.328 -8.200 1.00 0.28 C ATOM 435 O LEU A 31 -3.370 -4.178 -8.436 1.00 0.33 O ATOM 436 CB LEU A 31 -1.734 -6.794 -7.670 1.00 0.41 C ATOM 437 CG LEU A 31 -0.897 -7.647 -6.693 1.00 0.61 C ATOM 438 CD1 LEU A 31 0.345 -8.183 -7.382 1.00 1.29 C ATOM 439 CD2 LEU A 31 -0.514 -6.878 -5.431 1.00 0.98 C ATOM 0 H LEU A 31 -3.568 -8.108 -6.587 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.735 -5.474 -6.315 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -2.005 -7.421 -8.520 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.098 -5.996 -8.053 1.00 0.41 H new ATOM 0 HG LEU A 31 -1.524 -8.483 -6.384 1.00 0.61 H new ATOM 0 HD11 LEU A 31 0.922 -8.782 -6.677 1.00 1.29 H new ATOM 0 HD12 LEU A 31 0.052 -8.802 -8.230 1.00 1.29 H new ATOM 0 HD13 LEU A 31 0.954 -7.350 -7.734 1.00 1.29 H new ATOM 0 HD21 LEU A 31 0.074 -7.522 -4.777 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.075 -6.003 -5.703 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.417 -6.560 -4.911 1.00 0.98 H new ATOM 451 N ASP A 32 -4.742 -5.931 -8.843 1.00 0.32 N ATOM 452 CA ASP A 32 -5.516 -5.284 -9.915 1.00 0.43 C ATOM 453 C ASP A 32 -6.827 -4.736 -9.403 1.00 0.36 C ATOM 454 O ASP A 32 -7.589 -4.118 -10.158 1.00 0.42 O ATOM 455 CB ASP A 32 -5.815 -6.251 -11.072 1.00 0.69 C ATOM 456 CG ASP A 32 -4.607 -6.629 -11.862 1.00 1.22 C ATOM 457 OD1 ASP A 32 -4.242 -5.891 -12.800 1.00 1.74 O ATOM 458 OD2 ASP A 32 -3.966 -7.667 -11.564 1.00 1.99 O ATOM 0 H ASP A 32 -5.047 -6.882 -8.635 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.894 -4.466 -10.279 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -6.273 -7.155 -10.670 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.546 -5.792 -11.738 1.00 0.69 H new ATOM 463 N LEU A 33 -7.107 -4.952 -8.143 1.00 0.32 N ATOM 464 CA LEU A 33 -8.335 -4.467 -7.575 1.00 0.33 C ATOM 465 C LEU A 33 -8.175 -3.015 -7.265 1.00 0.31 C ATOM 466 O LEU A 33 -7.241 -2.613 -6.596 1.00 0.45 O ATOM 467 CB LEU A 33 -8.746 -5.264 -6.334 1.00 0.40 C ATOM 468 CG LEU A 33 -9.071 -6.741 -6.574 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.479 -7.409 -5.281 1.00 0.57 C ATOM 470 CD2 LEU A 33 -10.167 -6.897 -7.619 1.00 0.58 C ATOM 0 H LEU A 33 -6.503 -5.458 -7.495 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.140 -4.600 -8.298 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -7.941 -5.202 -5.601 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.619 -4.786 -5.890 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.171 -7.227 -6.951 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.707 -8.458 -5.470 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.663 -7.338 -4.562 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.362 -6.913 -4.878 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.378 -7.956 -7.770 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -11.070 -6.392 -7.277 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.838 -6.455 -8.560 1.00 0.58 H new ATOM 482 N ARG A 34 -9.073 -2.242 -7.750 1.00 0.28 N ATOM 483 CA ARG A 34 -8.974 -0.815 -7.666 1.00 0.31 C ATOM 484 C ARG A 34 -9.272 -0.358 -6.263 1.00 0.29 C ATOM 485 O ARG A 34 -10.215 -0.847 -5.643 1.00 0.34 O ATOM 486 CB ARG A 34 -9.962 -0.214 -8.639 1.00 0.48 C ATOM 487 CG ARG A 34 -9.724 -0.656 -10.072 1.00 0.73 C ATOM 488 CD ARG A 34 -10.911 -0.336 -10.936 1.00 1.02 C ATOM 489 NE ARG A 34 -12.106 -1.077 -10.503 1.00 1.90 N ATOM 490 CZ ARG A 34 -13.358 -0.622 -10.606 1.00 2.41 C ATOM 491 NH1 ARG A 34 -13.596 0.537 -11.190 1.00 2.17 N ATOM 492 NH2 ARG A 34 -14.366 -1.351 -10.171 1.00 3.51 N ATOM 0 H ARG A 34 -9.912 -2.576 -8.224 1.00 0.28 H new ATOM 0 HA ARG A 34 -7.964 -0.492 -7.918 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -10.973 -0.493 -8.341 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -9.902 0.873 -8.585 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -8.837 -0.160 -10.467 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -9.528 -1.728 -10.098 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -11.112 0.735 -10.899 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -10.685 -0.582 -11.973 1.00 1.02 H new ATOM 0 HE ARG A 34 -11.969 -2.002 -10.096 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -12.823 1.088 -11.564 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -14.553 0.882 -11.267 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -14.192 -2.265 -9.754 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -15.321 -1.001 -10.251 1.00 3.51 H new ATOM 506 N PHE A 35 -8.437 0.538 -5.746 1.00 0.30 N ATOM 507 CA PHE A 35 -8.629 1.127 -4.425 1.00 0.34 C ATOM 508 C PHE A 35 -10.056 1.618 -4.226 1.00 0.38 C ATOM 509 O PHE A 35 -10.680 1.296 -3.225 1.00 0.41 O ATOM 510 CB PHE A 35 -7.626 2.254 -4.132 1.00 0.38 C ATOM 511 CG PHE A 35 -6.211 1.796 -3.888 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.909 0.965 -2.833 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.191 2.169 -4.747 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.621 0.518 -2.629 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.903 1.724 -4.553 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.599 1.010 -3.385 1.00 0.44 C ATOM 0 H PHE A 35 -7.607 0.877 -6.232 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.441 0.327 -3.709 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.628 2.950 -4.971 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -7.969 2.808 -3.258 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.692 0.659 -2.155 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.409 2.819 -5.582 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.421 -0.223 -1.869 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.138 1.922 -5.289 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.572 0.853 -3.089 1.00 0.44 H new ATOM 526 N GLU A 36 -10.577 2.354 -5.197 1.00 0.44 N ATOM 527 CA GLU A 36 -11.946 2.867 -5.138 1.00 0.52 C ATOM 528 C GLU A 36 -12.995 1.746 -4.983 1.00 0.52 C ATOM 529 O GLU A 36 -14.011 1.911 -4.307 1.00 0.58 O ATOM 530 CB GLU A 36 -12.226 3.841 -6.308 1.00 0.64 C ATOM 531 CG GLU A 36 -12.063 3.287 -7.724 1.00 1.23 C ATOM 532 CD GLU A 36 -13.351 2.788 -8.324 1.00 1.60 C ATOM 533 OE1 GLU A 36 -14.075 3.598 -8.959 1.00 2.06 O ATOM 534 OE2 GLU A 36 -13.657 1.611 -8.197 1.00 1.97 O ATOM 0 H GLU A 36 -10.071 2.613 -6.044 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.044 3.455 -4.225 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.246 4.212 -6.204 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -11.563 4.699 -6.201 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.650 4.066 -8.365 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -11.340 2.472 -7.706 1.00 1.23 H new ATOM 541 N ASP A 37 -12.684 0.595 -5.529 1.00 0.49 N ATOM 542 CA ASP A 37 -13.561 -0.578 -5.477 1.00 0.55 C ATOM 543 C ASP A 37 -13.367 -1.376 -4.179 1.00 0.55 C ATOM 544 O ASP A 37 -14.260 -2.102 -3.732 1.00 0.66 O ATOM 545 CB ASP A 37 -13.343 -1.466 -6.705 1.00 0.62 C ATOM 546 CG ASP A 37 -14.082 -2.782 -6.631 1.00 0.74 C ATOM 547 OD1 ASP A 37 -15.331 -2.788 -6.615 1.00 0.92 O ATOM 548 OD2 ASP A 37 -13.413 -3.841 -6.605 1.00 0.86 O ATOM 0 H ASP A 37 -11.810 0.432 -6.029 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.591 -0.223 -5.486 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.664 -0.927 -7.596 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.277 -1.662 -6.818 1.00 0.62 H new ATOM 553 N ILE A 38 -12.215 -1.241 -3.561 1.00 0.47 N ATOM 554 CA ILE A 38 -11.980 -1.898 -2.279 1.00 0.51 C ATOM 555 C ILE A 38 -12.195 -0.930 -1.116 1.00 0.53 C ATOM 556 O ILE A 38 -11.819 -1.206 0.021 1.00 0.59 O ATOM 557 CB ILE A 38 -10.588 -2.599 -2.162 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.440 -1.595 -2.359 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.487 -3.749 -3.159 1.00 0.56 C ATOM 560 CD1 ILE A 38 -8.050 -2.189 -2.217 1.00 0.47 C ATOM 0 H ILE A 38 -11.431 -0.692 -3.913 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.720 -2.696 -2.226 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.496 -3.007 -1.156 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.531 -1.149 -3.349 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.552 -0.788 -1.635 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.512 -4.227 -3.065 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.270 -4.479 -2.953 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.607 -3.364 -4.172 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.304 -1.410 -2.372 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.934 -2.609 -1.218 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.913 -2.975 -2.959 1.00 0.47 H new ATOM 572 N GLY A 39 -12.845 0.187 -1.416 1.00 0.54 N ATOM 573 CA GLY A 39 -13.195 1.169 -0.404 1.00 0.61 C ATOM 574 C GLY A 39 -12.000 1.889 0.168 1.00 0.55 C ATOM 575 O GLY A 39 -12.025 2.327 1.315 1.00 0.69 O ATOM 0 H GLY A 39 -13.141 0.434 -2.360 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.877 1.900 -0.838 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.732 0.672 0.404 1.00 0.61 H new ATOM 579 N TYR A 40 -10.974 2.016 -0.620 1.00 0.45 N ATOM 580 CA TYR A 40 -9.767 2.661 -0.206 1.00 0.48 C ATOM 581 C TYR A 40 -9.678 4.032 -0.800 1.00 0.56 C ATOM 582 O TYR A 40 -9.659 4.183 -2.025 1.00 0.64 O ATOM 583 CB TYR A 40 -8.563 1.860 -0.657 1.00 0.43 C ATOM 584 CG TYR A 40 -7.716 1.376 0.457 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.173 0.395 1.308 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.452 1.887 0.654 1.00 0.74 C ATOM 587 CE1 TYR A 40 -7.396 -0.068 2.330 1.00 1.00 C ATOM 588 CE2 TYR A 40 -5.664 1.431 1.678 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.140 0.508 2.534 1.00 1.11 C ATOM 590 OH TYR A 40 -5.379 -0.033 3.519 1.00 1.40 O ATOM 0 H TYR A 40 -10.953 1.670 -1.579 1.00 0.45 H new ATOM 0 HA TYR A 40 -9.778 2.732 0.882 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.905 1.004 -1.239 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -7.957 2.476 -1.321 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -9.162 -0.015 1.165 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.078 2.656 -0.006 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -7.746 -0.865 2.969 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -4.661 1.812 1.798 1.00 0.99 H new ATOM 0 HH TYR A 40 -4.485 0.368 3.500 1.00 1.40 H new ATOM 600 N ASP A 41 -9.671 5.018 0.035 1.00 0.74 N ATOM 601 CA ASP A 41 -9.463 6.374 -0.415 1.00 0.95 C ATOM 602 C ASP A 41 -8.084 6.782 -0.039 1.00 1.01 C ATOM 603 O ASP A 41 -7.410 6.074 0.719 1.00 1.89 O ATOM 604 CB ASP A 41 -10.405 7.382 0.227 1.00 1.15 C ATOM 605 CG ASP A 41 -11.867 7.121 0.007 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.301 7.107 -1.161 1.00 2.07 O ATOM 607 OD2 ASP A 41 -12.608 6.897 0.992 1.00 2.16 O ATOM 0 H ASP A 41 -9.807 4.919 1.041 1.00 0.74 H new ATOM 0 HA ASP A 41 -9.642 6.377 -1.490 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -10.213 7.402 1.300 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.167 8.374 -0.158 1.00 1.15 H new ATOM 612 N SER A 42 -7.717 7.952 -0.493 1.00 0.71 N ATOM 613 CA SER A 42 -6.440 8.604 -0.268 1.00 0.66 C ATOM 614 C SER A 42 -5.984 8.536 1.192 1.00 0.49 C ATOM 615 O SER A 42 -4.839 8.250 1.455 1.00 0.45 O ATOM 616 CB SER A 42 -6.606 10.052 -0.678 1.00 0.86 C ATOM 617 OG SER A 42 -7.827 10.535 -0.043 1.00 1.19 O ATOM 0 H SER A 42 -8.340 8.518 -1.069 1.00 0.71 H new ATOM 0 HA SER A 42 -5.675 8.092 -0.852 1.00 0.66 H new ATOM 0 HB2 SER A 42 -5.747 10.644 -0.362 1.00 0.86 H new ATOM 0 HB3 SER A 42 -6.673 10.141 -1.762 1.00 0.86 H new ATOM 0 HG SER A 42 -7.971 11.474 -0.283 1.00 1.19 H new ATOM 622 N LEU A 43 -6.907 8.725 2.118 1.00 0.49 N ATOM 623 CA LEU A 43 -6.577 8.789 3.537 1.00 0.49 C ATOM 624 C LEU A 43 -6.009 7.455 4.040 1.00 0.42 C ATOM 625 O LEU A 43 -4.859 7.399 4.505 1.00 0.41 O ATOM 626 CB LEU A 43 -7.811 9.188 4.351 1.00 0.65 C ATOM 627 CG LEU A 43 -8.479 10.515 3.979 1.00 0.79 C ATOM 628 CD1 LEU A 43 -9.682 10.771 4.873 1.00 1.12 C ATOM 629 CD2 LEU A 43 -7.493 11.664 4.076 1.00 1.03 C ATOM 0 H LEU A 43 -7.900 8.838 1.914 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.806 9.548 3.669 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.553 8.395 4.256 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -7.526 9.233 5.402 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.819 10.447 2.946 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -10.146 11.718 4.596 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -10.404 9.964 4.751 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -9.359 10.815 5.913 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -7.992 12.595 3.807 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -7.117 11.736 5.097 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -6.661 11.488 3.394 1.00 1.03 H new ATOM 641 N ALA A 44 -6.791 6.387 3.934 1.00 0.40 N ATOM 642 CA ALA A 44 -6.330 5.058 4.328 1.00 0.38 C ATOM 643 C ALA A 44 -5.190 4.584 3.432 1.00 0.32 C ATOM 644 O ALA A 44 -4.309 3.849 3.866 1.00 0.33 O ATOM 645 CB ALA A 44 -7.469 4.053 4.311 1.00 0.43 C ATOM 0 H ALA A 44 -7.747 6.414 3.579 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.956 5.132 5.349 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.095 3.074 4.609 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.246 4.371 5.007 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.885 3.992 3.306 1.00 0.43 H new ATOM 651 N LEU A 45 -5.217 5.020 2.192 1.00 0.30 N ATOM 652 CA LEU A 45 -4.220 4.655 1.200 1.00 0.28 C ATOM 653 C LEU A 45 -2.842 5.236 1.613 1.00 0.28 C ATOM 654 O LEU A 45 -1.827 4.520 1.634 1.00 0.29 O ATOM 655 CB LEU A 45 -4.693 5.179 -0.173 1.00 0.30 C ATOM 656 CG LEU A 45 -4.264 4.431 -1.442 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.900 5.073 -2.659 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.760 4.369 -1.600 1.00 0.37 C ATOM 0 H LEU A 45 -5.939 5.646 1.836 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.103 3.573 1.133 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.783 5.204 -0.158 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.352 6.210 -0.267 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.612 3.402 -1.347 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.591 4.537 -3.556 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.985 5.031 -2.567 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.582 6.113 -2.730 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.512 3.829 -2.514 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.358 5.381 -1.656 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.325 3.853 -0.744 1.00 0.37 H new ATOM 670 N MET A 46 -2.829 6.514 1.989 1.00 0.30 N ATOM 671 CA MET A 46 -1.605 7.183 2.454 1.00 0.34 C ATOM 672 C MET A 46 -1.161 6.601 3.763 1.00 0.34 C ATOM 673 O MET A 46 0.015 6.496 4.017 1.00 0.40 O ATOM 674 CB MET A 46 -1.809 8.689 2.618 1.00 0.39 C ATOM 675 CG MET A 46 -2.069 9.415 1.327 1.00 0.45 C ATOM 676 SD MET A 46 -2.459 11.162 1.564 1.00 0.68 S ATOM 677 CE MET A 46 -2.765 11.653 -0.127 1.00 1.44 C ATOM 0 H MET A 46 -3.654 7.113 1.982 1.00 0.30 H new ATOM 0 HA MET A 46 -0.839 7.021 1.695 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.646 8.860 3.294 1.00 0.39 H new ATOM 0 HB3 MET A 46 -0.925 9.116 3.091 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.192 9.328 0.685 1.00 0.45 H new ATOM 0 HG3 MET A 46 -2.895 8.932 0.805 1.00 0.45 H new ATOM 0 HE1 MET A 46 -2.124 12.497 -0.382 1.00 1.44 H new ATOM 0 HE2 MET A 46 -2.548 10.818 -0.793 1.00 1.44 H new ATOM 0 HE3 MET A 46 -3.810 11.944 -0.238 1.00 1.44 H new ATOM 687 N GLU A 47 -2.126 6.212 4.572 1.00 0.32 N ATOM 688 CA GLU A 47 -1.897 5.597 5.874 1.00 0.37 C ATOM 689 C GLU A 47 -1.082 4.306 5.699 1.00 0.32 C ATOM 690 O GLU A 47 -0.099 4.059 6.416 1.00 0.33 O ATOM 691 CB GLU A 47 -3.262 5.305 6.485 1.00 0.45 C ATOM 692 CG GLU A 47 -3.250 4.787 7.913 1.00 0.85 C ATOM 693 CD GLU A 47 -2.557 5.725 8.862 1.00 1.22 C ATOM 694 OE1 GLU A 47 -3.009 6.873 9.003 1.00 1.82 O ATOM 695 OE2 GLU A 47 -1.559 5.316 9.502 1.00 1.89 O ATOM 0 H GLU A 47 -3.114 6.315 4.342 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.331 6.258 6.530 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.855 6.219 6.455 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.771 4.573 5.857 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -4.276 4.630 8.247 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.754 3.817 7.940 1.00 0.85 H new ATOM 702 N THR A 48 -1.483 3.525 4.723 1.00 0.31 N ATOM 703 CA THR A 48 -0.799 2.319 4.343 1.00 0.30 C ATOM 704 C THR A 48 0.638 2.640 3.906 1.00 0.29 C ATOM 705 O THR A 48 1.607 2.093 4.460 1.00 0.32 O ATOM 706 CB THR A 48 -1.577 1.680 3.189 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.856 1.262 3.677 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.822 0.511 2.577 1.00 0.33 C ATOM 0 H THR A 48 -2.312 3.718 4.161 1.00 0.31 H new ATOM 0 HA THR A 48 -0.746 1.631 5.187 1.00 0.30 H new ATOM 0 HB THR A 48 -1.704 2.417 2.396 1.00 0.33 H new ATOM 0 HG1 THR A 48 -2.807 1.122 4.646 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.408 0.086 1.762 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.137 0.859 2.192 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.652 -0.251 3.338 1.00 0.33 H new ATOM 716 N ALA A 49 0.763 3.532 2.930 1.00 0.29 N ATOM 717 CA ALA A 49 2.057 3.931 2.406 1.00 0.30 C ATOM 718 C ALA A 49 2.958 4.478 3.514 1.00 0.27 C ATOM 719 O ALA A 49 4.110 4.083 3.625 1.00 0.27 O ATOM 720 CB ALA A 49 1.881 4.955 1.299 1.00 0.36 C ATOM 0 H ALA A 49 -0.028 3.995 2.483 1.00 0.29 H new ATOM 0 HA ALA A 49 2.544 3.049 1.991 1.00 0.30 H new ATOM 0 HB1 ALA A 49 2.858 5.246 0.914 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.288 4.522 0.493 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.370 5.833 1.694 1.00 0.36 H new ATOM 726 N ALA A 50 2.381 5.318 4.380 1.00 0.29 N ATOM 727 CA ALA A 50 3.096 5.975 5.479 1.00 0.31 C ATOM 728 C ALA A 50 3.727 4.981 6.418 1.00 0.30 C ATOM 729 O ALA A 50 4.837 5.206 6.920 1.00 0.32 O ATOM 730 CB ALA A 50 2.171 6.908 6.248 1.00 0.39 C ATOM 0 H ALA A 50 1.392 5.564 4.337 1.00 0.29 H new ATOM 0 HA ALA A 50 3.897 6.562 5.030 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.725 7.383 7.058 1.00 0.39 H new ATOM 0 HB2 ALA A 50 1.784 7.673 5.575 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.341 6.337 6.663 1.00 0.39 H new ATOM 736 N ARG A 51 3.042 3.876 6.628 1.00 0.32 N ATOM 737 CA ARG A 51 3.525 2.829 7.496 1.00 0.37 C ATOM 738 C ARG A 51 4.792 2.250 6.918 1.00 0.32 C ATOM 739 O ARG A 51 5.836 2.176 7.588 1.00 0.36 O ATOM 740 CB ARG A 51 2.499 1.713 7.602 1.00 0.51 C ATOM 741 CG ARG A 51 2.897 0.626 8.574 1.00 1.04 C ATOM 742 CD ARG A 51 1.987 -0.564 8.468 1.00 1.15 C ATOM 743 NE ARG A 51 2.162 -1.460 9.600 1.00 1.91 N ATOM 744 CZ ARG A 51 1.516 -2.604 9.764 1.00 2.60 C ATOM 745 NH1 ARG A 51 1.023 -3.261 8.716 1.00 2.86 N ATOM 746 NH2 ARG A 51 1.445 -3.142 10.963 1.00 3.47 N ATOM 0 H ARG A 51 2.136 3.681 6.201 1.00 0.32 H new ATOM 0 HA ARG A 51 3.708 3.253 8.483 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.543 2.136 7.912 1.00 0.51 H new ATOM 0 HB3 ARG A 51 2.348 1.272 6.616 1.00 0.51 H new ATOM 0 HG2 ARG A 51 3.924 0.319 8.378 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.870 1.017 9.591 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.950 -0.230 8.422 1.00 1.15 H new ATOM 0 HD3 ARG A 51 2.191 -1.100 7.541 1.00 1.15 H new ATOM 0 HE ARG A 51 2.831 -1.187 10.320 1.00 1.91 H new ATOM 0 HH11 ARG A 51 1.141 -2.884 7.776 1.00 2.86 H new ATOM 0 HH12 ARG A 51 0.527 -4.142 8.853 1.00 2.86 H new ATOM 0 HH21 ARG A 51 1.886 -2.678 11.757 1.00 3.47 H new ATOM 0 HH22 ARG A 51 0.949 -4.023 11.098 1.00 3.47 H new ATOM 760 N LEU A 52 4.698 1.871 5.657 1.00 0.27 N ATOM 761 CA LEU A 52 5.783 1.228 4.964 1.00 0.25 C ATOM 762 C LEU A 52 6.954 2.197 4.790 1.00 0.21 C ATOM 763 O LEU A 52 8.109 1.781 4.798 1.00 0.23 O ATOM 764 CB LEU A 52 5.306 0.640 3.617 1.00 0.29 C ATOM 765 CG LEU A 52 4.018 -0.210 3.670 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.720 -0.811 2.313 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.119 -1.305 4.722 1.00 0.44 C ATOM 0 H LEU A 52 3.862 2.004 5.089 1.00 0.27 H new ATOM 0 HA LEU A 52 6.138 0.392 5.566 1.00 0.25 H new ATOM 0 HB2 LEU A 52 5.147 1.463 2.920 1.00 0.29 H new ATOM 0 HB3 LEU A 52 6.107 0.025 3.207 1.00 0.29 H new ATOM 0 HG LEU A 52 3.197 0.450 3.949 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.809 -1.406 2.371 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.586 -0.013 1.583 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.550 -1.447 2.007 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.196 -1.885 4.733 1.00 0.44 H new ATOM 0 HD22 LEU A 52 4.957 -1.961 4.485 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.277 -0.855 5.702 1.00 0.44 H new ATOM 779 N GLU A 53 6.641 3.493 4.657 1.00 0.19 N ATOM 780 CA GLU A 53 7.662 4.536 4.570 1.00 0.19 C ATOM 781 C GLU A 53 8.554 4.520 5.778 1.00 0.23 C ATOM 782 O GLU A 53 9.753 4.295 5.657 1.00 0.26 O ATOM 783 CB GLU A 53 7.063 5.927 4.475 1.00 0.22 C ATOM 784 CG GLU A 53 6.256 6.228 3.251 1.00 0.25 C ATOM 785 CD GLU A 53 5.812 7.653 3.260 1.00 0.33 C ATOM 786 OE1 GLU A 53 4.742 7.957 3.820 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.547 8.497 2.748 1.00 0.38 O ATOM 0 H GLU A 53 5.684 3.841 4.608 1.00 0.19 H new ATOM 0 HA GLU A 53 8.227 4.318 3.663 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.430 6.085 5.348 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.875 6.652 4.534 1.00 0.22 H new ATOM 0 HG2 GLU A 53 6.850 6.031 2.358 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.388 5.570 3.209 1.00 0.25 H new ATOM 794 N SER A 54 7.955 4.743 6.930 1.00 0.31 N ATOM 795 CA SER A 54 8.672 4.825 8.173 1.00 0.40 C ATOM 796 C SER A 54 9.356 3.501 8.506 1.00 0.36 C ATOM 797 O SER A 54 10.544 3.461 8.819 1.00 0.39 O ATOM 798 CB SER A 54 7.693 5.198 9.286 1.00 0.53 C ATOM 799 OG SER A 54 6.904 6.331 8.923 1.00 1.17 O ATOM 0 H SER A 54 6.948 4.873 7.024 1.00 0.31 H new ATOM 0 HA SER A 54 9.446 5.587 8.082 1.00 0.40 H new ATOM 0 HB2 SER A 54 7.041 4.351 9.499 1.00 0.53 H new ATOM 0 HB3 SER A 54 8.244 5.414 10.201 1.00 0.53 H new ATOM 0 HG SER A 54 6.141 6.038 8.383 1.00 1.17 H new ATOM 805 N ARG A 55 8.598 2.421 8.420 1.00 0.35 N ATOM 806 CA ARG A 55 9.090 1.116 8.801 1.00 0.37 C ATOM 807 C ARG A 55 10.190 0.576 7.883 1.00 0.31 C ATOM 808 O ARG A 55 11.188 0.052 8.359 1.00 0.36 O ATOM 809 CB ARG A 55 7.947 0.105 8.942 1.00 0.48 C ATOM 810 CG ARG A 55 8.403 -1.243 9.465 1.00 0.61 C ATOM 811 CD ARG A 55 7.247 -2.184 9.695 1.00 0.85 C ATOM 812 NE ARG A 55 7.705 -3.458 10.244 1.00 1.35 N ATOM 813 CZ ARG A 55 6.949 -4.316 10.955 1.00 2.03 C ATOM 814 NH1 ARG A 55 5.698 -3.990 11.315 1.00 2.37 N ATOM 815 NH2 ARG A 55 7.474 -5.471 11.350 1.00 2.81 N ATOM 0 H ARG A 55 7.634 2.427 8.087 1.00 0.35 H new ATOM 0 HA ARG A 55 9.555 1.255 9.777 1.00 0.37 H new ATOM 0 HB2 ARG A 55 7.192 0.512 9.614 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.470 -0.032 7.972 1.00 0.48 H new ATOM 0 HG2 ARG A 55 9.098 -1.691 8.755 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.947 -1.104 10.399 1.00 0.61 H new ATOM 0 HD2 ARG A 55 6.532 -1.726 10.379 1.00 0.85 H new ATOM 0 HD3 ARG A 55 6.723 -2.357 8.755 1.00 0.85 H new ATOM 0 HE ARG A 55 8.677 -3.719 10.075 1.00 1.35 H new ATOM 0 HH11 ARG A 55 5.311 -3.084 11.050 1.00 2.37 H new ATOM 0 HH12 ARG A 55 5.134 -4.648 11.854 1.00 2.37 H new ATOM 0 HH21 ARG A 55 8.440 -5.699 11.114 1.00 2.81 H new ATOM 0 HH22 ARG A 55 6.911 -6.129 11.889 1.00 2.81 H new ATOM 829 N TYR A 56 10.016 0.694 6.586 1.00 0.28 N ATOM 830 CA TYR A 56 10.961 0.076 5.673 1.00 0.31 C ATOM 831 C TYR A 56 11.995 1.046 5.108 1.00 0.33 C ATOM 832 O TYR A 56 13.044 0.620 4.636 1.00 0.43 O ATOM 833 CB TYR A 56 10.234 -0.702 4.567 1.00 0.34 C ATOM 834 CG TYR A 56 9.356 -1.820 5.110 1.00 0.41 C ATOM 835 CD1 TYR A 56 9.917 -2.994 5.591 1.00 0.53 C ATOM 836 CD2 TYR A 56 7.975 -1.692 5.162 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.129 -4.008 6.101 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.178 -2.702 5.674 1.00 0.57 C ATOM 839 CZ TYR A 56 7.762 -3.860 6.142 1.00 0.66 C ATOM 840 OH TYR A 56 6.981 -4.873 6.666 1.00 0.80 O ATOM 0 H TYR A 56 9.249 1.199 6.143 1.00 0.28 H new ATOM 0 HA TYR A 56 11.535 -0.636 6.266 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.619 -0.012 3.988 1.00 0.34 H new ATOM 0 HB3 TYR A 56 10.970 -1.124 3.883 1.00 0.34 H new ATOM 0 HD1 TYR A 56 10.990 -3.118 5.566 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.513 -0.787 4.796 1.00 0.45 H new ATOM 0 HE1 TYR A 56 9.586 -4.916 6.467 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.105 -2.583 5.707 1.00 0.57 H new ATOM 0 HH TYR A 56 6.291 -5.123 6.017 1.00 0.80 H new ATOM 850 N GLY A 57 11.712 2.329 5.153 1.00 0.31 N ATOM 851 CA GLY A 57 12.679 3.300 4.681 1.00 0.38 C ATOM 852 C GLY A 57 12.409 3.778 3.275 1.00 0.38 C ATOM 853 O GLY A 57 13.260 3.634 2.384 1.00 0.53 O ATOM 0 H GLY A 57 10.838 2.721 5.504 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.681 4.157 5.354 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.675 2.860 4.722 1.00 0.38 H new ATOM 857 N VAL A 58 11.230 4.345 3.065 1.00 0.37 N ATOM 858 CA VAL A 58 10.845 4.898 1.767 1.00 0.37 C ATOM 859 C VAL A 58 10.184 6.260 1.978 1.00 0.34 C ATOM 860 O VAL A 58 10.006 6.680 3.129 1.00 0.33 O ATOM 861 CB VAL A 58 9.906 3.965 0.901 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.486 2.582 0.739 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.500 3.872 1.456 1.00 0.33 C ATOM 0 H VAL A 58 10.513 4.436 3.784 1.00 0.37 H new ATOM 0 HA VAL A 58 11.765 4.991 1.190 1.00 0.37 H new ATOM 0 HB VAL A 58 9.846 4.437 -0.080 1.00 0.38 H new ATOM 0 HG11 VAL A 58 9.811 1.972 0.138 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.454 2.649 0.242 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.613 2.124 1.720 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.901 3.219 0.821 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.534 3.465 2.466 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.052 4.865 1.480 1.00 0.33 H new ATOM 873 N SER A 59 9.836 6.943 0.906 1.00 0.37 N ATOM 874 CA SER A 59 9.169 8.228 0.998 1.00 0.41 C ATOM 875 C SER A 59 8.192 8.347 -0.188 1.00 0.38 C ATOM 876 O SER A 59 8.613 8.504 -1.350 1.00 0.47 O ATOM 877 CB SER A 59 10.225 9.371 1.009 1.00 0.56 C ATOM 878 OG SER A 59 9.662 10.663 1.287 1.00 1.54 O ATOM 0 H SER A 59 10.006 6.626 -0.049 1.00 0.37 H new ATOM 0 HA SER A 59 8.602 8.311 1.926 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.986 9.146 1.756 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.727 9.402 0.042 1.00 0.56 H new ATOM 0 HG SER A 59 10.373 11.338 1.282 1.00 1.54 H new ATOM 884 N ILE A 60 6.913 8.222 0.105 1.00 0.31 N ATOM 885 CA ILE A 60 5.857 8.217 -0.899 1.00 0.31 C ATOM 886 C ILE A 60 5.200 9.600 -0.967 1.00 0.34 C ATOM 887 O ILE A 60 4.538 10.026 -0.010 1.00 0.40 O ATOM 888 CB ILE A 60 4.750 7.153 -0.567 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.354 5.740 -0.384 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.656 7.135 -1.641 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.118 5.219 -1.589 1.00 0.59 C ATOM 0 H ILE A 60 6.569 8.119 1.060 1.00 0.31 H new ATOM 0 HA ILE A 60 6.314 7.962 -1.855 1.00 0.31 H new ATOM 0 HB ILE A 60 4.295 7.448 0.379 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.023 5.754 0.476 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.550 5.043 -0.151 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.905 6.389 -1.383 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.187 8.117 -1.699 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.098 6.886 -2.606 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.506 4.224 -1.371 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.450 5.168 -2.449 1.00 0.59 H new ATOM 0 HD13 ILE A 60 6.947 5.891 -1.812 1.00 0.59 H new ATOM 903 N PRO A 61 5.378 10.324 -2.082 1.00 0.37 N ATOM 904 CA PRO A 61 4.786 11.655 -2.270 1.00 0.45 C ATOM 905 C PRO A 61 3.248 11.614 -2.232 1.00 0.41 C ATOM 906 O PRO A 61 2.613 10.696 -2.786 1.00 0.35 O ATOM 907 CB PRO A 61 5.290 12.088 -3.648 1.00 0.54 C ATOM 908 CG PRO A 61 6.480 11.228 -3.896 1.00 0.56 C ATOM 909 CD PRO A 61 6.177 9.920 -3.245 1.00 0.43 C ATOM 0 HA PRO A 61 5.069 12.345 -1.475 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.528 11.942 -4.413 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.555 13.145 -3.660 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.656 11.102 -4.964 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.381 11.675 -3.475 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.623 9.255 -3.908 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.085 9.393 -2.951 1.00 0.43 H new ATOM 917 N ASP A 62 2.678 12.609 -1.587 1.00 0.51 N ATOM 918 CA ASP A 62 1.230 12.717 -1.336 1.00 0.55 C ATOM 919 C ASP A 62 0.376 12.666 -2.604 1.00 0.45 C ATOM 920 O ASP A 62 -0.702 12.063 -2.610 1.00 0.46 O ATOM 921 CB ASP A 62 0.892 13.974 -0.506 1.00 0.77 C ATOM 922 CG ASP A 62 1.332 13.894 0.952 1.00 1.28 C ATOM 923 OD1 ASP A 62 2.547 14.065 1.253 1.00 1.64 O ATOM 924 OD2 ASP A 62 0.470 13.672 1.837 1.00 1.99 O ATOM 0 H ASP A 62 3.209 13.392 -1.207 1.00 0.51 H new ATOM 0 HA ASP A 62 0.973 11.830 -0.757 1.00 0.55 H new ATOM 0 HB2 ASP A 62 1.364 14.840 -0.970 1.00 0.77 H new ATOM 0 HB3 ASP A 62 -0.185 14.141 -0.541 1.00 0.77 H new ATOM 929 N ASP A 63 0.855 13.259 -3.687 1.00 0.44 N ATOM 930 CA ASP A 63 0.067 13.283 -4.938 1.00 0.45 C ATOM 931 C ASP A 63 0.064 11.918 -5.603 1.00 0.40 C ATOM 932 O ASP A 63 -0.901 11.543 -6.266 1.00 0.48 O ATOM 933 CB ASP A 63 0.567 14.340 -5.946 1.00 0.58 C ATOM 934 CG ASP A 63 1.855 13.970 -6.660 1.00 1.37 C ATOM 935 OD1 ASP A 63 2.944 14.153 -6.086 1.00 2.18 O ATOM 936 OD2 ASP A 63 1.792 13.455 -7.797 1.00 1.66 O ATOM 0 H ASP A 63 1.762 13.723 -3.740 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.947 13.557 -4.647 1.00 0.45 H new ATOM 0 HB2 ASP A 63 -0.211 14.510 -6.691 1.00 0.58 H new ATOM 0 HB3 ASP A 63 0.716 15.283 -5.420 1.00 0.58 H new ATOM 941 N VAL A 64 1.109 11.159 -5.365 1.00 0.34 N ATOM 942 CA VAL A 64 1.265 9.842 -5.956 1.00 0.37 C ATOM 943 C VAL A 64 0.332 8.879 -5.262 1.00 0.36 C ATOM 944 O VAL A 64 -0.339 8.072 -5.907 1.00 0.43 O ATOM 945 CB VAL A 64 2.713 9.341 -5.789 1.00 0.45 C ATOM 946 CG1 VAL A 64 2.908 8.012 -6.498 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.703 10.362 -6.312 1.00 0.50 C ATOM 0 H VAL A 64 1.879 11.435 -4.755 1.00 0.34 H new ATOM 0 HA VAL A 64 1.032 9.903 -7.019 1.00 0.37 H new ATOM 0 HB VAL A 64 2.896 9.198 -4.724 1.00 0.45 H new ATOM 0 HG11 VAL A 64 3.937 7.677 -6.367 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.229 7.271 -6.076 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.698 8.132 -7.561 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.717 9.985 -6.183 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.515 10.542 -7.370 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.590 11.295 -5.760 1.00 0.50 H new ATOM 957 N ALA A 65 0.278 8.993 -3.949 1.00 0.35 N ATOM 958 CA ALA A 65 -0.564 8.151 -3.114 1.00 0.39 C ATOM 959 C ALA A 65 -2.043 8.240 -3.512 1.00 0.41 C ATOM 960 O ALA A 65 -2.774 7.294 -3.362 1.00 0.45 O ATOM 961 CB ALA A 65 -0.372 8.508 -1.654 1.00 0.44 C ATOM 0 H ALA A 65 0.822 9.679 -3.425 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.258 7.116 -3.268 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.007 7.872 -1.037 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.671 8.357 -1.377 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.642 9.552 -1.496 1.00 0.44 H new ATOM 967 N GLY A 66 -2.459 9.380 -4.037 1.00 0.47 N ATOM 968 CA GLY A 66 -3.835 9.522 -4.480 1.00 0.55 C ATOM 969 C GLY A 66 -3.994 9.249 -5.972 1.00 0.58 C ATOM 970 O GLY A 66 -5.105 9.246 -6.500 1.00 0.81 O ATOM 0 H GLY A 66 -1.876 10.207 -4.165 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.468 8.835 -3.918 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -4.183 10.531 -4.258 1.00 0.55 H new ATOM 974 N ARG A 67 -2.888 9.002 -6.645 1.00 0.54 N ATOM 975 CA ARG A 67 -2.885 8.778 -8.086 1.00 0.61 C ATOM 976 C ARG A 67 -2.867 7.284 -8.405 1.00 0.52 C ATOM 977 O ARG A 67 -3.323 6.850 -9.470 1.00 0.59 O ATOM 978 CB ARG A 67 -1.668 9.461 -8.731 1.00 0.75 C ATOM 979 CG ARG A 67 -1.568 9.239 -10.229 1.00 1.32 C ATOM 980 CD ARG A 67 -0.299 9.810 -10.806 1.00 1.55 C ATOM 981 NE ARG A 67 -0.169 9.502 -12.236 1.00 1.97 N ATOM 982 CZ ARG A 67 0.789 9.982 -13.037 1.00 2.53 C ATOM 983 NH1 ARG A 67 1.689 10.846 -12.559 1.00 2.73 N ATOM 984 NH2 ARG A 67 0.837 9.605 -14.314 1.00 3.33 N ATOM 0 H ARG A 67 -1.965 8.950 -6.214 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.798 9.211 -8.496 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.716 10.532 -8.534 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.760 9.090 -8.256 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -1.612 8.171 -10.440 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -2.427 9.697 -10.720 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -0.288 10.891 -10.663 1.00 1.55 H new ATOM 0 HD3 ARG A 67 0.559 9.409 -10.267 1.00 1.55 H new ATOM 0 HE ARG A 67 -0.860 8.876 -12.649 1.00 1.97 H new ATOM 0 HH11 ARG A 67 1.646 11.140 -11.583 1.00 2.73 H new ATOM 0 HH12 ARG A 67 2.419 11.212 -13.170 1.00 2.73 H new ATOM 0 HH21 ARG A 67 0.144 8.952 -14.679 1.00 3.33 H new ATOM 0 HH22 ARG A 67 1.567 9.970 -14.926 1.00 3.33 H new ATOM 998 N VAL A 68 -2.361 6.504 -7.489 1.00 0.43 N ATOM 999 CA VAL A 68 -2.267 5.073 -7.686 1.00 0.39 C ATOM 1000 C VAL A 68 -3.647 4.437 -7.553 1.00 0.35 C ATOM 1001 O VAL A 68 -4.353 4.641 -6.564 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.223 4.426 -6.723 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.179 4.840 -7.142 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.451 4.852 -5.280 1.00 0.36 C ATOM 0 H VAL A 68 -2.004 6.833 -6.592 1.00 0.43 H new ATOM 0 HA VAL A 68 -1.905 4.884 -8.697 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.339 3.344 -6.785 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.908 4.388 -6.469 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.368 4.504 -8.161 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.267 5.925 -7.096 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.705 4.381 -4.640 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.364 5.936 -5.203 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.447 4.544 -4.963 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.052 3.744 -8.599 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.392 3.176 -8.700 1.00 0.41 C ATOM 1016 C ASP A 69 -5.424 1.771 -8.147 1.00 0.28 C ATOM 1017 O ASP A 69 -6.398 1.363 -7.493 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.859 3.176 -10.167 1.00 0.62 C ATOM 1019 CG ASP A 69 -7.244 2.579 -10.360 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -8.239 3.204 -9.916 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -7.362 1.516 -10.994 1.00 2.11 O ATOM 0 H ASP A 69 -3.462 3.555 -9.409 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.069 3.793 -8.110 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.857 4.200 -10.541 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -5.143 2.616 -10.768 1.00 0.62 H new ATOM 1026 N THR A 70 -4.363 1.050 -8.383 1.00 0.30 N ATOM 1027 CA THR A 70 -4.245 -0.316 -7.953 1.00 0.27 C ATOM 1028 C THR A 70 -3.110 -0.487 -6.935 1.00 0.24 C ATOM 1029 O THR A 70 -2.112 0.256 -6.974 1.00 0.25 O ATOM 1030 CB THR A 70 -4.027 -1.249 -9.164 1.00 0.34 C ATOM 1031 OG1 THR A 70 -2.966 -0.748 -10.011 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.304 -1.399 -9.966 1.00 0.36 C ATOM 0 H THR A 70 -3.546 1.398 -8.885 1.00 0.30 H new ATOM 0 HA THR A 70 -5.179 -0.591 -7.462 1.00 0.27 H new ATOM 0 HB THR A 70 -3.738 -2.229 -8.784 1.00 0.34 H new ATOM 0 HG1 THR A 70 -3.024 0.229 -10.065 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.126 -2.061 -10.814 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.084 -1.823 -9.333 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.623 -0.422 -10.329 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.248 -1.458 -5.998 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.243 -1.742 -4.969 1.00 0.22 C ATOM 1042 C PRO A 71 -0.894 -2.092 -5.571 1.00 0.22 C ATOM 1043 O PRO A 71 0.140 -1.840 -4.958 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.825 -2.941 -4.216 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.278 -2.852 -4.458 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.412 -2.342 -5.853 1.00 0.23 C ATOM 0 HA PRO A 71 -2.057 -0.879 -4.330 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.417 -3.881 -4.588 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.595 -2.892 -3.152 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.756 -3.825 -4.347 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.755 -2.179 -3.745 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.396 -3.152 -6.582 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.348 -1.803 -5.997 1.00 0.23 H new ATOM 1054 N ARG A 72 -0.922 -2.672 -6.779 1.00 0.24 N ATOM 1055 CA ARG A 72 0.286 -2.988 -7.536 1.00 0.28 C ATOM 1056 C ARG A 72 1.204 -1.769 -7.626 1.00 0.27 C ATOM 1057 O ARG A 72 2.385 -1.844 -7.310 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.080 -3.442 -8.950 1.00 0.40 C ATOM 1059 CG ARG A 72 1.118 -3.576 -9.889 1.00 0.70 C ATOM 1060 CD ARG A 72 0.692 -4.047 -11.250 1.00 0.74 C ATOM 1061 NE ARG A 72 0.194 -5.417 -11.212 1.00 1.18 N ATOM 1062 CZ ARG A 72 -1.014 -5.811 -11.595 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -1.900 -4.937 -12.035 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -1.333 -7.093 -11.543 1.00 2.72 N ATOM 0 H ARG A 72 -1.786 -2.933 -7.254 1.00 0.24 H new ATOM 0 HA ARG A 72 0.808 -3.791 -7.015 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.592 -4.403 -8.891 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.786 -2.730 -9.378 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.624 -2.615 -9.976 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.837 -4.278 -9.467 1.00 0.70 H new ATOM 0 HD2 ARG A 72 -0.085 -3.388 -11.637 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.535 -3.985 -11.938 1.00 0.74 H new ATOM 0 HE ARG A 72 0.829 -6.134 -10.861 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -1.659 -3.947 -12.083 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -2.825 -5.252 -12.327 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -0.652 -7.775 -11.209 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -2.260 -7.400 -11.836 1.00 2.72 H new ATOM 1078 N GLU A 73 0.614 -0.641 -8.016 1.00 0.24 N ATOM 1079 CA GLU A 73 1.328 0.611 -8.203 1.00 0.26 C ATOM 1080 C GLU A 73 1.921 1.091 -6.888 1.00 0.25 C ATOM 1081 O GLU A 73 3.056 1.540 -6.841 1.00 0.32 O ATOM 1082 CB GLU A 73 0.373 1.660 -8.751 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.246 1.300 -10.084 1.00 0.50 C ATOM 1084 CD GLU A 73 -1.351 2.241 -10.470 1.00 1.41 C ATOM 1085 OE1 GLU A 73 -1.061 3.270 -11.116 1.00 1.82 O ATOM 1086 OE2 GLU A 73 -2.516 1.990 -10.142 1.00 2.21 O ATOM 0 H GLU A 73 -0.385 -0.575 -8.212 1.00 0.24 H new ATOM 0 HA GLU A 73 2.142 0.450 -8.910 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.424 1.824 -8.026 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.909 2.604 -8.855 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.524 1.311 -10.855 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -0.636 0.283 -10.038 1.00 0.50 H new ATOM 1093 N LEU A 74 1.161 0.933 -5.817 1.00 0.23 N ATOM 1094 CA LEU A 74 1.595 1.375 -4.502 1.00 0.26 C ATOM 1095 C LEU A 74 2.751 0.477 -4.030 1.00 0.25 C ATOM 1096 O LEU A 74 3.766 0.967 -3.544 1.00 0.28 O ATOM 1097 CB LEU A 74 0.381 1.356 -3.518 1.00 0.28 C ATOM 1098 CG LEU A 74 0.522 2.065 -2.135 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.453 1.329 -1.177 1.00 1.01 C ATOM 1100 CD2 LEU A 74 0.978 3.506 -2.321 1.00 1.11 C ATOM 0 H LEU A 74 0.237 0.500 -5.833 1.00 0.23 H new ATOM 0 HA LEU A 74 1.964 2.400 -4.538 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.468 1.804 -4.033 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.125 0.313 -3.330 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.467 2.054 -1.676 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.508 1.873 -0.234 1.00 1.01 H new ATOM 0 HD12 LEU A 74 1.069 0.325 -0.995 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.448 1.262 -1.616 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.071 3.987 -1.347 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.944 3.520 -2.827 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.246 4.045 -2.923 1.00 1.11 H new ATOM 1112 N LEU A 75 2.591 -0.828 -4.199 1.00 0.24 N ATOM 1113 CA LEU A 75 3.627 -1.795 -3.857 1.00 0.28 C ATOM 1114 C LEU A 75 4.903 -1.516 -4.657 1.00 0.28 C ATOM 1115 O LEU A 75 6.015 -1.616 -4.131 1.00 0.30 O ATOM 1116 CB LEU A 75 3.142 -3.225 -4.109 1.00 0.32 C ATOM 1117 CG LEU A 75 4.076 -4.339 -3.636 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.296 -4.241 -2.134 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.514 -5.701 -4.007 1.00 0.48 C ATOM 0 H LEU A 75 1.741 -1.247 -4.576 1.00 0.24 H new ATOM 0 HA LEU A 75 3.851 -1.693 -2.795 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.177 -3.353 -3.618 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.974 -3.348 -5.179 1.00 0.32 H new ATOM 0 HG LEU A 75 5.038 -4.220 -4.135 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.963 -5.040 -1.811 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.743 -3.276 -1.894 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.340 -4.336 -1.619 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.193 -6.481 -3.662 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.540 -5.833 -3.536 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.406 -5.767 -5.090 1.00 0.48 H new ATOM 1131 N ASP A 76 4.722 -1.155 -5.923 1.00 0.28 N ATOM 1132 CA ASP A 76 5.824 -0.808 -6.831 1.00 0.33 C ATOM 1133 C ASP A 76 6.616 0.366 -6.299 1.00 0.30 C ATOM 1134 O ASP A 76 7.848 0.358 -6.328 1.00 0.32 O ATOM 1135 CB ASP A 76 5.294 -0.475 -8.226 1.00 0.43 C ATOM 1136 CG ASP A 76 6.389 -0.060 -9.181 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.079 -0.946 -9.728 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.573 1.155 -9.421 1.00 0.68 O ATOM 0 H ASP A 76 3.801 -1.093 -6.357 1.00 0.28 H new ATOM 0 HA ASP A 76 6.480 -1.676 -6.897 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.775 -1.344 -8.630 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.560 0.328 -8.150 1.00 0.43 H new ATOM 1143 N LEU A 77 5.897 1.352 -5.770 1.00 0.29 N ATOM 1144 CA LEU A 77 6.495 2.553 -5.177 1.00 0.30 C ATOM 1145 C LEU A 77 7.370 2.173 -3.991 1.00 0.28 C ATOM 1146 O LEU A 77 8.354 2.834 -3.686 1.00 0.35 O ATOM 1147 CB LEU A 77 5.399 3.503 -4.690 1.00 0.35 C ATOM 1148 CG LEU A 77 4.430 4.031 -5.734 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.345 4.844 -5.058 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.161 4.869 -6.776 1.00 0.45 C ATOM 0 H LEU A 77 4.878 1.344 -5.739 1.00 0.29 H new ATOM 0 HA LEU A 77 7.099 3.045 -5.939 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.822 2.989 -3.922 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.879 4.356 -4.211 1.00 0.35 H new ATOM 0 HG LEU A 77 3.971 3.186 -6.248 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.652 5.221 -5.810 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.806 4.214 -4.350 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.796 5.682 -4.527 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.447 5.236 -7.513 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.646 5.714 -6.288 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.913 4.256 -7.273 1.00 0.45 H new ATOM 1162 N ILE A 78 6.990 1.118 -3.325 1.00 0.27 N ATOM 1163 CA ILE A 78 7.732 0.621 -2.198 1.00 0.29 C ATOM 1164 C ILE A 78 8.938 -0.178 -2.714 1.00 0.30 C ATOM 1165 O ILE A 78 10.066 0.085 -2.334 1.00 0.31 O ATOM 1166 CB ILE A 78 6.843 -0.292 -1.309 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.546 0.431 -0.885 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.614 -0.750 -0.080 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.755 1.705 -0.084 1.00 0.38 C ATOM 0 H ILE A 78 6.155 0.577 -3.548 1.00 0.27 H new ATOM 0 HA ILE A 78 8.067 1.463 -1.593 1.00 0.29 H new ATOM 0 HB ILE A 78 6.566 -1.165 -1.899 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.973 0.672 -1.780 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.941 -0.257 -0.294 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.977 -1.389 0.532 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.496 -1.309 -0.391 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.922 0.119 0.501 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.788 2.140 0.167 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.298 1.474 0.833 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.330 2.417 -0.676 1.00 0.38 H new ATOM 1181 N ASN A 79 8.670 -1.144 -3.594 1.00 0.34 N ATOM 1182 CA ASN A 79 9.713 -2.026 -4.172 1.00 0.41 C ATOM 1183 C ASN A 79 10.828 -1.242 -4.841 1.00 0.38 C ATOM 1184 O ASN A 79 12.011 -1.475 -4.565 1.00 0.42 O ATOM 1185 CB ASN A 79 9.125 -3.027 -5.189 1.00 0.53 C ATOM 1186 CG ASN A 79 8.411 -4.233 -4.579 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.396 -5.302 -5.171 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.821 -4.083 -3.423 1.00 0.63 N ATOM 0 H ASN A 79 7.729 -1.345 -3.932 1.00 0.34 H new ATOM 0 HA ASN A 79 10.129 -2.576 -3.328 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.423 -2.496 -5.832 1.00 0.53 H new ATOM 0 HB3 ASN A 79 9.932 -3.387 -5.827 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.333 -4.869 -2.994 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.849 -3.180 -2.950 1.00 0.63 H new ATOM 1195 N GLY A 80 10.452 -0.301 -5.696 1.00 0.38 N ATOM 1196 CA GLY A 80 11.420 0.502 -6.417 1.00 0.42 C ATOM 1197 C GLY A 80 12.253 1.354 -5.491 1.00 0.38 C ATOM 1198 O GLY A 80 13.449 1.549 -5.713 1.00 0.46 O ATOM 0 H GLY A 80 9.479 -0.077 -5.905 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.074 -0.151 -6.994 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.900 1.143 -7.129 1.00 0.42 H new ATOM 1202 N ALA A 81 11.626 1.851 -4.448 1.00 0.31 N ATOM 1203 CA ALA A 81 12.305 2.665 -3.472 1.00 0.32 C ATOM 1204 C ALA A 81 13.233 1.821 -2.623 1.00 0.33 C ATOM 1205 O ALA A 81 14.349 2.218 -2.351 1.00 0.45 O ATOM 1206 CB ALA A 81 11.315 3.395 -2.606 1.00 0.33 C ATOM 0 H ALA A 81 10.636 1.702 -4.255 1.00 0.31 H new ATOM 0 HA ALA A 81 12.904 3.404 -4.004 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.849 4.003 -1.876 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.692 4.038 -3.228 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.685 2.673 -2.085 1.00 0.33 H new ATOM 1212 N LEU A 82 12.776 0.628 -2.246 1.00 0.29 N ATOM 1213 CA LEU A 82 13.564 -0.293 -1.421 1.00 0.36 C ATOM 1214 C LEU A 82 14.755 -0.872 -2.164 1.00 0.46 C ATOM 1215 O LEU A 82 15.675 -1.410 -1.548 1.00 0.61 O ATOM 1216 CB LEU A 82 12.704 -1.404 -0.820 1.00 0.42 C ATOM 1217 CG LEU A 82 11.735 -0.975 0.280 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.916 -2.160 0.759 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.498 -0.360 1.442 1.00 0.67 C ATOM 0 H LEU A 82 11.855 0.272 -2.501 1.00 0.29 H new ATOM 0 HA LEU A 82 13.958 0.306 -0.600 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.130 -1.868 -1.623 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.365 -2.171 -0.417 1.00 0.42 H new ATOM 0 HG LEU A 82 11.056 -0.227 -0.130 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.231 -1.836 1.543 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.346 -2.569 -0.075 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.582 -2.927 1.154 1.00 0.74 H new ATOM 0 HD21 LEU A 82 11.796 -0.058 2.219 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.196 -1.093 1.848 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.050 0.513 1.093 1.00 0.67 H new ATOM 1231 N ALA A 83 14.734 -0.778 -3.486 1.00 0.54 N ATOM 1232 CA ALA A 83 15.880 -1.164 -4.309 1.00 0.69 C ATOM 1233 C ALA A 83 17.060 -0.236 -3.996 1.00 0.73 C ATOM 1234 O ALA A 83 18.221 -0.569 -4.198 1.00 0.84 O ATOM 1235 CB ALA A 83 15.521 -1.093 -5.786 1.00 0.88 C ATOM 0 H ALA A 83 13.933 -0.436 -4.017 1.00 0.54 H new ATOM 0 HA ALA A 83 16.161 -2.192 -4.080 1.00 0.69 H new ATOM 0 HB1 ALA A 83 16.384 -1.383 -6.385 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.692 -1.771 -5.992 1.00 0.88 H new ATOM 0 HB3 ALA A 83 15.229 -0.074 -6.041 1.00 0.88 H new