USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 531 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 68 THR OG1 : rot 180:sc=0.000415 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.00944 USER MOD Single : A 5 THR OG1 : rot -60:sc= -0.013 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 107:sc= 1.18 USER MOD Single : A 16 CYS SG : rot -176:sc= -1.16 USER MOD Single : A 39 TYR OH : rot 16:sc= -0.945 USER MOD Single : A 41 SER OG : rot 47:sc= 1.14 USER MOD Single : A 46 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.46) USER MOD Single : A 47 THR OG1 : rot -62:sc= -0.856 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 91:sc= 1.08 USER MOD Single : A 78 ASN : amide:sc= -9.25! C(o=-9.2!,f=-11!) USER MOD Single : A 80 SER OG : rot -65:sc= -1.65 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.257 11.019 0.279 1.00 0.00 N ATOM 35 CA LEU A 3 65.243 9.721 -0.392 1.00 0.00 C ATOM 36 C LEU A 3 66.548 8.968 -0.123 1.00 0.00 C ATOM 37 O LEU A 3 67.308 9.326 0.777 1.00 0.00 O ATOM 38 CB LEU A 3 65.038 9.903 -1.899 1.00 0.00 C ATOM 39 CG LEU A 3 66.224 10.499 -2.665 1.00 0.00 C ATOM 40 CD1 LEU A 3 66.129 10.100 -4.140 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.186 12.024 -2.547 1.00 0.00 C ATOM 0 HA LEU A 3 64.414 9.135 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.799 8.933 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.170 10.544 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 3 67.157 10.123 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.972 10.523 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 3 66.150 9.014 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 3 65.197 10.479 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 3 67.028 12.452 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.253 12.398 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.249 12.309 -1.497 1.00 0.00 H new ATOM 53 N LEU A 4 66.795 7.914 -0.901 1.00 0.00 N ATOM 54 CA LEU A 4 68.006 7.116 -0.715 1.00 0.00 C ATOM 55 C LEU A 4 68.761 6.976 -2.034 1.00 0.00 C ATOM 56 O LEU A 4 68.228 7.275 -3.101 1.00 0.00 O ATOM 57 CB LEU A 4 67.641 5.725 -0.191 1.00 0.00 C ATOM 58 CG LEU A 4 68.783 4.954 0.486 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.243 4.186 1.696 1.00 0.00 C ATOM 60 CD2 LEU A 4 69.391 3.962 -0.508 1.00 0.00 C ATOM 0 H LEU A 4 66.184 7.597 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 4 68.644 7.623 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.822 5.827 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.267 5.129 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 4 69.546 5.660 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.057 3.640 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.810 4.888 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.478 3.483 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.202 3.415 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.625 3.260 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 4 69.780 4.503 -1.370 1.00 0.00 H new ATOM 72 N THR A 5 70.008 6.519 -1.952 1.00 0.00 N ATOM 73 CA THR A 5 70.815 6.349 -3.157 1.00 0.00 C ATOM 74 C THR A 5 71.607 5.048 -3.104 1.00 0.00 C ATOM 75 O THR A 5 71.699 4.397 -2.064 1.00 0.00 O ATOM 76 CB THR A 5 71.790 7.514 -3.316 1.00 0.00 C ATOM 77 OG1 THR A 5 72.333 7.857 -2.046 1.00 0.00 O ATOM 78 CG2 THR A 5 71.046 8.714 -3.895 1.00 0.00 C ATOM 0 H THR A 5 70.475 6.264 -1.082 1.00 0.00 H new ATOM 0 HA THR A 5 70.134 6.320 -4.008 1.00 0.00 H new ATOM 0 HB THR A 5 72.599 7.226 -3.987 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.608 8.115 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.737 9.549 -4.011 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.630 8.450 -4.867 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.239 9.002 -3.221 1.00 0.00 H new ATOM 86 N LEU A 6 72.186 4.682 -4.243 1.00 0.00 N ATOM 87 CA LEU A 6 72.981 3.459 -4.321 1.00 0.00 C ATOM 88 C LEU A 6 74.233 3.605 -3.470 1.00 0.00 C ATOM 89 O LEU A 6 74.680 2.658 -2.824 1.00 0.00 O ATOM 90 CB LEU A 6 73.377 3.157 -5.770 1.00 0.00 C ATOM 91 CG LEU A 6 74.350 4.154 -6.407 1.00 0.00 C ATOM 92 CD1 LEU A 6 75.787 3.675 -6.192 1.00 0.00 C ATOM 93 CD2 LEU A 6 74.069 4.253 -7.909 1.00 0.00 C ATOM 0 H LEU A 6 72.122 5.207 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 6 72.377 2.632 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 6 73.825 2.164 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 6 72.472 3.121 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 6 74.219 5.133 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 6 76.479 4.385 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 6 75.990 3.602 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 6 75.917 2.696 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 6 74.761 4.962 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 6 74.200 3.274 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 6 73.046 4.594 -8.066 1.00 0.00 H new ATOM 105 N SER A 7 74.779 4.813 -3.467 1.00 0.00 N ATOM 106 CA SER A 7 75.974 5.095 -2.678 1.00 0.00 C ATOM 107 C SER A 7 75.680 4.894 -1.193 1.00 0.00 C ATOM 108 O SER A 7 76.561 4.529 -0.414 1.00 0.00 O ATOM 109 CB SER A 7 76.442 6.533 -2.908 1.00 0.00 C ATOM 110 OG SER A 7 77.393 6.554 -3.964 1.00 0.00 O ATOM 0 H SER A 7 74.419 5.608 -3.996 1.00 0.00 H new ATOM 0 HA SER A 7 76.761 4.409 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.592 7.169 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.885 6.934 -1.996 1.00 0.00 H new ATOM 0 HG SER A 7 77.694 7.474 -4.115 1.00 0.00 H new ATOM 116 N ASP A 8 74.426 5.135 -0.813 1.00 0.00 N ATOM 117 CA ASP A 8 74.013 4.976 0.572 1.00 0.00 C ATOM 118 C ASP A 8 73.986 3.501 0.955 1.00 0.00 C ATOM 119 O ASP A 8 74.757 3.048 1.798 1.00 0.00 O ATOM 120 CB ASP A 8 72.614 5.562 0.777 1.00 0.00 C ATOM 121 CG ASP A 8 72.663 7.085 0.694 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.702 7.648 0.999 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.654 7.667 0.329 1.00 0.00 O ATOM 0 H ASP A 8 73.685 5.439 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 8 74.731 5.503 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.934 5.171 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 8 72.222 5.256 1.747 1.00 0.00 H new ATOM 128 N LEU A 9 73.079 2.756 0.321 1.00 0.00 N ATOM 129 CA LEU A 9 72.931 1.324 0.599 1.00 0.00 C ATOM 130 C LEU A 9 74.271 0.596 0.519 1.00 0.00 C ATOM 131 O LEU A 9 74.568 -0.275 1.337 1.00 0.00 O ATOM 132 CB LEU A 9 71.966 0.686 -0.401 1.00 0.00 C ATOM 133 CG LEU A 9 71.631 -0.784 -0.132 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.412 -0.869 0.788 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.321 -1.487 -1.456 1.00 0.00 C ATOM 0 H LEU A 9 72.438 3.117 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 9 72.538 1.231 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 9 71.039 1.259 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.395 0.768 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 9 72.482 -1.269 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.173 -1.915 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 9 70.632 -0.368 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.561 -0.384 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 9 71.083 -2.533 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.470 -1.002 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 9 72.189 -1.427 -2.112 1.00 0.00 H new ATOM 147 N LEU A 10 75.071 0.956 -0.478 1.00 0.00 N ATOM 148 CA LEU A 10 76.377 0.322 -0.660 1.00 0.00 C ATOM 149 C LEU A 10 77.261 0.519 0.568 1.00 0.00 C ATOM 150 O LEU A 10 77.775 -0.442 1.133 1.00 0.00 O ATOM 151 CB LEU A 10 77.083 0.887 -1.891 1.00 0.00 C ATOM 152 CG LEU A 10 76.679 0.237 -3.224 1.00 0.00 C ATOM 153 CD1 LEU A 10 76.541 1.308 -4.315 1.00 0.00 C ATOM 154 CD2 LEU A 10 77.744 -0.786 -3.637 1.00 0.00 C ATOM 0 H LEU A 10 74.845 1.674 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 10 76.206 -0.745 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.881 1.956 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.159 0.773 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 10 75.719 -0.265 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.255 0.835 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.777 2.028 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.494 1.822 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.458 -1.247 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 10 78.705 -0.284 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 10 77.827 -1.555 -2.869 1.00 0.00 H new ATOM 166 N THR A 11 77.428 1.772 0.977 1.00 0.00 N ATOM 167 CA THR A 11 78.240 2.099 2.137 1.00 0.00 C ATOM 168 C THR A 11 77.719 1.378 3.379 1.00 0.00 C ATOM 169 O THR A 11 78.457 0.666 4.056 1.00 0.00 O ATOM 170 CB THR A 11 78.191 3.605 2.368 1.00 0.00 C ATOM 171 OG1 THR A 11 78.538 4.278 1.165 1.00 0.00 O ATOM 172 CG2 THR A 11 79.170 3.978 3.459 1.00 0.00 C ATOM 0 H THR A 11 77.008 2.580 0.517 1.00 0.00 H new ATOM 0 HA THR A 11 79.266 1.779 1.954 1.00 0.00 H new ATOM 0 HB THR A 11 77.185 3.897 2.669 1.00 0.00 H new ATOM 0 HG1 THR A 11 77.734 4.672 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 11 79.136 5.055 3.626 1.00 0.00 H new ATOM 0 HG22 THR A 11 78.903 3.460 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 11 80.177 3.689 3.159 1.00 0.00 H new ATOM 180 N LEU A 12 76.430 1.553 3.669 1.00 0.00 N ATOM 181 CA LEU A 12 75.825 0.889 4.832 1.00 0.00 C ATOM 182 C LEU A 12 76.089 -0.609 4.755 1.00 0.00 C ATOM 183 O LEU A 12 76.364 -1.267 5.759 1.00 0.00 O ATOM 184 CB LEU A 12 74.317 1.133 4.879 1.00 0.00 C ATOM 185 CG LEU A 12 73.904 2.601 4.821 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.380 2.703 4.730 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.390 3.310 6.083 1.00 0.00 C ATOM 0 H LEU A 12 75.792 2.137 3.129 1.00 0.00 H new ATOM 0 HA LEU A 12 76.272 1.303 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 73.852 0.606 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 12 73.921 0.695 5.795 1.00 0.00 H new ATOM 0 HG LEU A 12 74.348 3.071 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.087 3.752 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.034 2.194 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 12 71.931 2.235 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.097 4.359 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.944 2.839 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.476 3.238 6.145 1.00 0.00 H new ATOM 199 N LEU A 13 76.043 -1.123 3.531 1.00 0.00 N ATOM 200 CA LEU A 13 76.321 -2.533 3.301 1.00 0.00 C ATOM 201 C LEU A 13 77.805 -2.779 3.545 1.00 0.00 C ATOM 202 O LEU A 13 78.203 -3.803 4.100 1.00 0.00 O ATOM 203 CB LEU A 13 75.962 -2.936 1.865 1.00 0.00 C ATOM 204 CG LEU A 13 74.631 -3.679 1.710 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.254 -3.749 0.227 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.767 -5.102 2.276 1.00 0.00 C ATOM 0 H LEU A 13 75.818 -0.589 2.691 1.00 0.00 H new ATOM 0 HA LEU A 13 75.717 -3.133 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.932 -2.037 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.760 -3.566 1.471 1.00 0.00 H new ATOM 0 HG LEU A 13 73.852 -3.146 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.307 -4.278 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.154 -2.739 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.032 -4.280 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 13 73.820 -5.630 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.546 -5.637 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.032 -5.050 3.332 1.00 0.00 H new ATOM 218 N ARG A 14 78.618 -1.807 3.126 1.00 0.00 N ATOM 219 CA ARG A 14 80.065 -1.894 3.300 1.00 0.00 C ATOM 220 C ARG A 14 80.413 -2.035 4.778 1.00 0.00 C ATOM 221 O ARG A 14 81.224 -2.872 5.162 1.00 0.00 O ATOM 222 CB ARG A 14 80.747 -0.638 2.745 1.00 0.00 C ATOM 223 CG ARG A 14 82.263 -0.817 2.791 1.00 0.00 C ATOM 224 CD ARG A 14 82.928 0.509 3.171 1.00 0.00 C ATOM 225 NE ARG A 14 84.205 0.272 3.849 1.00 0.00 N ATOM 226 CZ ARG A 14 84.268 -0.199 5.104 1.00 0.00 C ATOM 227 NH1 ARG A 14 83.180 -0.471 5.784 1.00 0.00 N ATOM 228 NH2 ARG A 14 85.435 -0.390 5.656 1.00 0.00 N ATOM 0 H ARG A 14 78.298 -0.955 2.666 1.00 0.00 H new ATOM 0 HA ARG A 14 80.419 -2.770 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.423 -0.458 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.456 0.235 3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.526 -1.588 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.629 -1.153 1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 14 83.092 1.109 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.266 1.081 3.821 1.00 0.00 H new ATOM 0 HE ARG A 14 85.073 0.471 3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 14 82.264 -0.325 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 14 83.250 -0.828 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 14 86.286 -0.182 5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 14 85.496 -0.748 6.609 1.00 0.00 H new ATOM 242 N GLU A 15 79.787 -1.204 5.602 1.00 0.00 N ATOM 243 CA GLU A 15 80.030 -1.250 7.036 1.00 0.00 C ATOM 244 C GLU A 15 79.471 -2.553 7.604 1.00 0.00 C ATOM 245 O GLU A 15 80.064 -3.179 8.481 1.00 0.00 O ATOM 246 CB GLU A 15 79.353 -0.052 7.722 1.00 0.00 C ATOM 247 CG GLU A 15 79.543 -0.126 9.246 1.00 0.00 C ATOM 248 CD GLU A 15 80.285 1.112 9.742 1.00 0.00 C ATOM 249 OE1 GLU A 15 79.865 2.206 9.402 1.00 0.00 O ATOM 250 OE2 GLU A 15 81.262 0.948 10.455 1.00 0.00 O ATOM 0 H GLU A 15 79.114 -0.497 5.305 1.00 0.00 H new ATOM 0 HA GLU A 15 81.103 -1.203 7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.775 0.878 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.290 -0.041 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.573 -0.200 9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.103 -1.024 9.507 1.00 0.00 H new ATOM 257 N CYS A 16 78.312 -2.935 7.088 1.00 0.00 N ATOM 258 CA CYS A 16 77.642 -4.156 7.532 1.00 0.00 C ATOM 259 C CYS A 16 78.462 -5.398 7.199 1.00 0.00 C ATOM 260 O CYS A 16 78.821 -6.179 8.080 1.00 0.00 O ATOM 261 CB CYS A 16 76.275 -4.282 6.861 1.00 0.00 C ATOM 262 SG CYS A 16 75.326 -5.594 7.668 1.00 0.00 S ATOM 0 H CYS A 16 77.814 -2.420 6.362 1.00 0.00 H new ATOM 0 HA CYS A 16 77.528 -4.087 8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 16 75.737 -3.336 6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.397 -4.506 5.801 1.00 0.00 H new ATOM 0 HG CYS A 16 74.193 -5.753 7.051 1.00 0.00 H new ATOM 268 N ALA A 17 78.734 -5.583 5.913 1.00 0.00 N ATOM 269 CA ALA A 17 79.492 -6.749 5.462 1.00 0.00 C ATOM 270 C ALA A 17 80.980 -6.584 5.751 1.00 0.00 C ATOM 271 O ALA A 17 81.645 -7.513 6.209 1.00 0.00 O ATOM 272 CB ALA A 17 79.301 -6.960 3.959 1.00 0.00 C ATOM 0 H ALA A 17 78.445 -4.949 5.168 1.00 0.00 H new ATOM 0 HA ALA A 17 79.117 -7.615 6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 17 79.872 -7.832 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 17 78.244 -7.120 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 17 79.651 -6.079 3.421 1.00 0.00 H new ATOM 417 N VAL A 29 77.284 -2.985 -10.405 1.00 0.00 N ATOM 418 CA VAL A 29 76.599 -4.160 -9.862 1.00 0.00 C ATOM 419 C VAL A 29 75.277 -3.740 -9.224 1.00 0.00 C ATOM 420 O VAL A 29 74.819 -4.340 -8.252 1.00 0.00 O ATOM 421 CB VAL A 29 77.460 -4.873 -8.798 1.00 0.00 C ATOM 422 CG1 VAL A 29 77.075 -6.348 -8.736 1.00 0.00 C ATOM 423 CG2 VAL A 29 78.953 -4.768 -9.144 1.00 0.00 C ATOM 0 HA VAL A 29 76.420 -4.849 -10.687 1.00 0.00 H new ATOM 0 HB VAL A 29 77.282 -4.393 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 29 77.683 -6.851 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 29 76.022 -6.438 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 29 77.245 -6.810 -9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 29 79.540 -5.278 -8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 29 79.136 -5.233 -10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 29 79.244 -3.718 -9.185 1.00 0.00 H new ATOM 433 N GLU A 30 74.674 -2.691 -9.783 1.00 0.00 N ATOM 434 CA GLU A 30 73.410 -2.176 -9.271 1.00 0.00 C ATOM 435 C GLU A 30 72.226 -3.011 -9.759 1.00 0.00 C ATOM 436 O GLU A 30 71.161 -3.022 -9.139 1.00 0.00 O ATOM 437 CB GLU A 30 73.222 -0.732 -9.730 1.00 0.00 C ATOM 438 CG GLU A 30 73.282 -0.652 -11.262 1.00 0.00 C ATOM 439 CD GLU A 30 74.629 -0.081 -11.698 1.00 0.00 C ATOM 440 OE1 GLU A 30 74.964 1.003 -11.249 1.00 0.00 O ATOM 441 OE2 GLU A 30 75.305 -0.736 -12.474 1.00 0.00 O ATOM 0 H GLU A 30 75.041 -2.184 -10.588 1.00 0.00 H new ATOM 0 HA GLU A 30 73.444 -2.228 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.264 -0.352 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 30 73.996 -0.100 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.140 -1.643 -11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.473 -0.024 -11.634 1.00 0.00 H new ATOM 448 N ASP A 31 72.422 -3.699 -10.879 1.00 0.00 N ATOM 449 CA ASP A 31 71.365 -4.528 -11.450 1.00 0.00 C ATOM 450 C ASP A 31 71.698 -6.017 -11.320 1.00 0.00 C ATOM 451 O ASP A 31 71.124 -6.852 -12.019 1.00 0.00 O ATOM 452 CB ASP A 31 71.162 -4.187 -12.926 1.00 0.00 C ATOM 453 CG ASP A 31 70.315 -2.924 -13.045 1.00 0.00 C ATOM 454 OD1 ASP A 31 69.408 -2.767 -12.245 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.587 -2.134 -13.934 1.00 0.00 O ATOM 0 H ASP A 31 73.295 -3.700 -11.406 1.00 0.00 H new ATOM 0 HA ASP A 31 70.449 -4.323 -10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.126 -4.038 -13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.672 -5.016 -13.438 1.00 0.00 H new ATOM 460 N VAL A 32 72.615 -6.345 -10.409 1.00 0.00 N ATOM 461 CA VAL A 32 72.993 -7.738 -10.194 1.00 0.00 C ATOM 462 C VAL A 32 72.415 -8.224 -8.869 1.00 0.00 C ATOM 463 O VAL A 32 72.376 -7.481 -7.887 1.00 0.00 O ATOM 464 CB VAL A 32 74.513 -7.882 -10.159 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.890 -9.364 -10.084 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.110 -7.270 -11.427 1.00 0.00 C ATOM 0 H VAL A 32 73.103 -5.673 -9.816 1.00 0.00 H new ATOM 0 HA VAL A 32 72.599 -8.336 -11.016 1.00 0.00 H new ATOM 0 HB VAL A 32 74.904 -7.365 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.975 -9.463 -10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.465 -9.802 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.498 -9.884 -10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.195 -7.372 -11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.715 -7.788 -12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.846 -6.214 -11.481 1.00 0.00 H new ATOM 476 N ALA A 33 71.957 -9.472 -8.848 1.00 0.00 N ATOM 477 CA ALA A 33 71.374 -10.033 -7.630 1.00 0.00 C ATOM 478 C ALA A 33 72.385 -10.010 -6.488 1.00 0.00 C ATOM 479 O ALA A 33 73.596 -10.078 -6.704 1.00 0.00 O ATOM 480 CB ALA A 33 70.918 -11.473 -7.858 1.00 0.00 C ATOM 0 H ALA A 33 71.976 -10.107 -9.646 1.00 0.00 H new ATOM 0 HA ALA A 33 70.513 -9.419 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.488 -11.868 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 33 70.168 -11.496 -8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.772 -12.083 -8.151 1.00 0.00 H new ATOM 486 N PHE A 34 71.870 -9.912 -5.264 1.00 0.00 N ATOM 487 CA PHE A 34 72.730 -9.879 -4.077 1.00 0.00 C ATOM 488 C PHE A 34 73.662 -11.088 -4.047 1.00 0.00 C ATOM 489 O PHE A 34 74.875 -10.953 -3.897 1.00 0.00 O ATOM 490 CB PHE A 34 71.880 -9.873 -2.808 1.00 0.00 C ATOM 491 CG PHE A 34 71.225 -8.521 -2.658 1.00 0.00 C ATOM 492 CD1 PHE A 34 72.010 -7.389 -2.416 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.836 -8.397 -2.768 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.409 -6.133 -2.285 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.235 -7.139 -2.639 1.00 0.00 C ATOM 496 CZ PHE A 34 70.020 -6.009 -2.398 1.00 0.00 C ATOM 0 H PHE A 34 70.871 -9.854 -5.066 1.00 0.00 H new ATOM 0 HA PHE A 34 73.328 -8.969 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.122 -10.654 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.501 -10.088 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.082 -7.485 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.228 -9.270 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 34 72.016 -5.260 -2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.163 -7.042 -2.726 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.555 -5.039 -2.299 1.00 0.00 H new ATOM 506 N ASP A 35 73.079 -12.271 -4.199 1.00 0.00 N ATOM 507 CA ASP A 35 73.859 -13.499 -4.196 1.00 0.00 C ATOM 508 C ASP A 35 74.786 -13.569 -5.413 1.00 0.00 C ATOM 509 O ASP A 35 75.751 -14.333 -5.422 1.00 0.00 O ATOM 510 CB ASP A 35 72.927 -14.710 -4.211 1.00 0.00 C ATOM 511 CG ASP A 35 72.027 -14.676 -2.981 1.00 0.00 C ATOM 512 OD1 ASP A 35 72.525 -14.351 -1.915 1.00 0.00 O ATOM 513 OD2 ASP A 35 70.853 -14.975 -3.122 1.00 0.00 O ATOM 0 H ASP A 35 72.076 -12.404 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 35 74.466 -13.506 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 35 72.322 -14.705 -5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 35 73.510 -15.631 -4.222 1.00 0.00 H new ATOM 518 N ALA A 36 74.482 -12.778 -6.445 1.00 0.00 N ATOM 519 CA ALA A 36 75.295 -12.782 -7.653 1.00 0.00 C ATOM 520 C ALA A 36 76.575 -11.972 -7.465 1.00 0.00 C ATOM 521 O ALA A 36 77.585 -12.234 -8.119 1.00 0.00 O ATOM 522 CB ALA A 36 74.508 -12.201 -8.829 1.00 0.00 C ATOM 0 H ALA A 36 73.689 -12.137 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 36 75.561 -13.818 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 36 75.130 -12.211 -9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 36 73.615 -12.802 -9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.217 -11.175 -8.601 1.00 0.00 H new ATOM 528 N LEU A 37 76.532 -10.982 -6.573 1.00 0.00 N ATOM 529 CA LEU A 37 77.711 -10.152 -6.336 1.00 0.00 C ATOM 530 C LEU A 37 78.454 -10.602 -5.079 1.00 0.00 C ATOM 531 O LEU A 37 79.668 -10.427 -4.969 1.00 0.00 O ATOM 532 CB LEU A 37 77.324 -8.676 -6.204 1.00 0.00 C ATOM 533 CG LEU A 37 76.568 -8.297 -4.925 1.00 0.00 C ATOM 534 CD1 LEU A 37 77.571 -7.952 -3.816 1.00 0.00 C ATOM 535 CD2 LEU A 37 75.663 -7.085 -5.206 1.00 0.00 C ATOM 0 H LEU A 37 75.714 -10.739 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 37 78.371 -10.268 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 37 78.232 -8.075 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 37 76.709 -8.403 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 37 75.954 -9.138 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 37 77.031 -7.683 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 37 78.206 -8.816 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 37 78.189 -7.112 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.125 -6.814 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.274 -6.242 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 37 74.948 -7.338 -5.989 1.00 0.00 H new ATOM 547 N GLY A 38 77.723 -11.190 -4.133 1.00 0.00 N ATOM 548 CA GLY A 38 78.349 -11.660 -2.899 1.00 0.00 C ATOM 549 C GLY A 38 77.458 -11.438 -1.674 1.00 0.00 C ATOM 550 O GLY A 38 77.727 -11.980 -0.601 1.00 0.00 O ATOM 0 H GLY A 38 76.717 -11.350 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.577 -12.722 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.297 -11.141 -2.755 1.00 0.00 H new ATOM 554 N TYR A 39 76.399 -10.642 -1.827 1.00 0.00 N ATOM 555 CA TYR A 39 75.503 -10.378 -0.709 1.00 0.00 C ATOM 556 C TYR A 39 74.618 -11.592 -0.446 1.00 0.00 C ATOM 557 O TYR A 39 74.196 -12.281 -1.375 1.00 0.00 O ATOM 558 CB TYR A 39 74.623 -9.167 -1.014 1.00 0.00 C ATOM 559 CG TYR A 39 75.426 -7.900 -0.854 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.107 -7.646 0.342 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.481 -6.975 -1.900 1.00 0.00 C ATOM 562 CE1 TYR A 39 76.846 -6.468 0.489 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.218 -5.796 -1.754 1.00 0.00 C ATOM 564 CZ TYR A 39 76.900 -5.541 -0.559 1.00 0.00 C ATOM 565 OH TYR A 39 77.629 -4.377 -0.416 1.00 0.00 O ATOM 0 H TYR A 39 76.146 -10.178 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 39 76.106 -10.173 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.233 -9.236 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 39 73.764 -9.152 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.062 -8.360 1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.954 -7.171 -2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 39 77.375 -6.273 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.261 -5.082 -2.563 1.00 0.00 H new ATOM 0 HH TYR A 39 78.238 -4.464 0.346 1.00 0.00 H new ATOM 575 N ASP A 40 74.342 -11.852 0.830 1.00 0.00 N ATOM 576 CA ASP A 40 73.506 -12.991 1.193 1.00 0.00 C ATOM 577 C ASP A 40 72.090 -12.527 1.510 1.00 0.00 C ATOM 578 O ASP A 40 71.162 -12.726 0.728 1.00 0.00 O ATOM 579 CB ASP A 40 74.088 -13.719 2.409 1.00 0.00 C ATOM 580 CG ASP A 40 75.232 -14.622 1.962 1.00 0.00 C ATOM 581 OD1 ASP A 40 76.348 -14.135 1.879 1.00 0.00 O ATOM 582 OD2 ASP A 40 74.976 -15.787 1.709 1.00 0.00 O ATOM 0 H ASP A 40 74.679 -11.299 1.618 1.00 0.00 H new ATOM 0 HA ASP A 40 73.480 -13.677 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 40 74.446 -12.996 3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.313 -14.310 2.897 1.00 0.00 H new ATOM 587 N SER A 41 71.943 -11.902 2.672 1.00 0.00 N ATOM 588 CA SER A 41 70.645 -11.397 3.112 1.00 0.00 C ATOM 589 C SER A 41 70.774 -10.851 4.524 1.00 0.00 C ATOM 590 O SER A 41 70.233 -9.797 4.853 1.00 0.00 O ATOM 591 CB SER A 41 69.588 -12.506 3.102 1.00 0.00 C ATOM 592 OG SER A 41 68.942 -12.526 1.836 1.00 0.00 O ATOM 0 H SER A 41 72.706 -11.732 3.328 1.00 0.00 H new ATOM 0 HA SER A 41 70.331 -10.611 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.054 -13.471 3.301 1.00 0.00 H new ATOM 0 HB3 SER A 41 68.858 -12.336 3.893 1.00 0.00 H new ATOM 0 HG SER A 41 69.615 -12.490 1.125 1.00 0.00 H new ATOM 598 N LEU A 42 71.514 -11.586 5.353 1.00 0.00 N ATOM 599 CA LEU A 42 71.732 -11.183 6.744 1.00 0.00 C ATOM 600 C LEU A 42 72.281 -9.761 6.815 1.00 0.00 C ATOM 601 O LEU A 42 71.879 -8.964 7.664 1.00 0.00 O ATOM 602 CB LEU A 42 72.719 -12.132 7.427 1.00 0.00 C ATOM 603 CG LEU A 42 74.099 -12.220 6.766 1.00 0.00 C ATOM 604 CD1 LEU A 42 75.044 -11.206 7.413 1.00 0.00 C ATOM 605 CD2 LEU A 42 74.664 -13.631 6.948 1.00 0.00 C ATOM 0 H LEU A 42 71.971 -12.459 5.089 1.00 0.00 H new ATOM 0 HA LEU A 42 70.771 -11.224 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.848 -11.814 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 42 72.281 -13.130 7.453 1.00 0.00 H new ATOM 0 HG LEU A 42 74.004 -12.000 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.025 -11.270 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.644 -10.201 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 42 75.138 -11.424 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.645 -13.693 6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 42 74.756 -13.852 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.993 -14.354 6.484 1.00 0.00 H new ATOM 617 N ALA A 43 73.197 -9.448 5.903 1.00 0.00 N ATOM 618 CA ALA A 43 73.786 -8.115 5.864 1.00 0.00 C ATOM 619 C ALA A 43 72.750 -7.106 5.403 1.00 0.00 C ATOM 620 O ALA A 43 72.614 -6.031 5.980 1.00 0.00 O ATOM 621 CB ALA A 43 74.982 -8.082 4.912 1.00 0.00 C ATOM 0 H ALA A 43 73.543 -10.090 5.190 1.00 0.00 H new ATOM 0 HA ALA A 43 74.126 -7.861 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.408 -7.079 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 43 75.737 -8.791 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 43 74.655 -8.353 3.908 1.00 0.00 H new ATOM 627 N LEU A 44 72.012 -7.475 4.361 1.00 0.00 N ATOM 628 CA LEU A 44 70.975 -6.602 3.820 1.00 0.00 C ATOM 629 C LEU A 44 69.892 -6.374 4.861 1.00 0.00 C ATOM 630 O LEU A 44 69.326 -5.287 4.968 1.00 0.00 O ATOM 631 CB LEU A 44 70.368 -7.232 2.570 1.00 0.00 C ATOM 632 CG LEU A 44 71.379 -7.513 1.459 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.694 -8.219 0.291 1.00 0.00 C ATOM 634 CD2 LEU A 44 71.970 -6.190 0.977 1.00 0.00 C ATOM 0 H LEU A 44 72.111 -8.367 3.876 1.00 0.00 H new ATOM 0 HA LEU A 44 71.421 -5.643 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.880 -8.166 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.593 -6.571 2.183 1.00 0.00 H new ATOM 0 HG LEU A 44 72.170 -8.156 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.424 -8.414 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.269 -9.162 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.899 -7.585 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.693 -6.382 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.172 -5.553 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.467 -5.690 1.808 1.00 0.00 H new ATOM 646 N LEU A 45 69.625 -7.413 5.642 1.00 0.00 N ATOM 647 CA LEU A 45 68.620 -7.331 6.699 1.00 0.00 C ATOM 648 C LEU A 45 68.997 -6.234 7.694 1.00 0.00 C ATOM 649 O LEU A 45 68.159 -5.432 8.110 1.00 0.00 O ATOM 650 CB LEU A 45 68.511 -8.676 7.431 1.00 0.00 C ATOM 651 CG LEU A 45 67.677 -8.675 8.719 1.00 0.00 C ATOM 652 CD1 LEU A 45 66.306 -8.052 8.444 1.00 0.00 C ATOM 653 CD2 LEU A 45 67.492 -10.113 9.207 1.00 0.00 C ATOM 0 H LEU A 45 70.087 -8.319 5.566 1.00 0.00 H new ATOM 0 HA LEU A 45 67.657 -7.092 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.083 -9.407 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 45 69.517 -9.018 7.673 1.00 0.00 H new ATOM 0 HG LEU A 45 68.193 -8.093 9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.716 -8.053 9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.435 -7.027 8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.789 -8.632 7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.900 -10.113 10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 66.977 -10.694 8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.467 -10.558 9.406 1.00 0.00 H new ATOM 665 N ASN A 46 70.272 -6.212 8.064 1.00 0.00 N ATOM 666 CA ASN A 46 70.765 -5.215 9.007 1.00 0.00 C ATOM 667 C ASN A 46 70.770 -3.829 8.371 1.00 0.00 C ATOM 668 O ASN A 46 70.303 -2.858 8.968 1.00 0.00 O ATOM 669 CB ASN A 46 72.185 -5.558 9.456 1.00 0.00 C ATOM 670 CG ASN A 46 72.180 -6.890 10.197 1.00 0.00 C ATOM 671 OD1 ASN A 46 71.475 -7.051 11.195 1.00 0.00 O ATOM 672 ND2 ASN A 46 72.931 -7.864 9.765 1.00 0.00 N ATOM 0 H ASN A 46 70.978 -6.867 7.729 1.00 0.00 H new ATOM 0 HA ASN A 46 70.099 -5.216 9.870 1.00 0.00 H new ATOM 0 HB2 ASN A 46 72.847 -5.614 8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 46 72.572 -4.772 10.104 1.00 0.00 H new ATOM 0 HD21 ASN A 46 72.935 -8.760 10.253 1.00 0.00 H new ATOM 0 HD22 ASN A 46 73.514 -7.730 8.939 1.00 0.00 H new ATOM 679 N THR A 47 71.309 -3.740 7.153 1.00 0.00 N ATOM 680 CA THR A 47 71.374 -2.452 6.450 1.00 0.00 C ATOM 681 C THR A 47 69.980 -1.833 6.322 1.00 0.00 C ATOM 682 O THR A 47 69.781 -0.656 6.620 1.00 0.00 O ATOM 683 CB THR A 47 71.993 -2.604 5.043 1.00 0.00 C ATOM 684 OG1 THR A 47 72.194 -3.977 4.750 1.00 0.00 O ATOM 685 CG2 THR A 47 73.339 -1.870 4.977 1.00 0.00 C ATOM 0 H THR A 47 71.701 -4.528 6.638 1.00 0.00 H new ATOM 0 HA THR A 47 72.011 -1.796 7.043 1.00 0.00 H new ATOM 0 HB THR A 47 71.310 -2.171 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.827 -4.359 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.767 -1.983 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.187 -0.812 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.021 -2.293 5.715 1.00 0.00 H new ATOM 693 N VAL A 48 69.019 -2.642 5.883 1.00 0.00 N ATOM 694 CA VAL A 48 67.645 -2.161 5.728 1.00 0.00 C ATOM 695 C VAL A 48 67.101 -1.693 7.076 1.00 0.00 C ATOM 696 O VAL A 48 66.326 -0.740 7.150 1.00 0.00 O ATOM 697 CB VAL A 48 66.743 -3.269 5.168 1.00 0.00 C ATOM 698 CG1 VAL A 48 65.338 -2.716 4.912 1.00 0.00 C ATOM 699 CG2 VAL A 48 67.330 -3.784 3.851 1.00 0.00 C ATOM 0 H VAL A 48 69.161 -3.620 5.631 1.00 0.00 H new ATOM 0 HA VAL A 48 67.651 -1.326 5.028 1.00 0.00 H new ATOM 0 HB VAL A 48 66.684 -4.083 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 48 64.702 -3.507 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 48 64.916 -2.347 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 48 65.394 -1.900 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 48 66.691 -4.571 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 48 67.389 -2.965 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 48 68.329 -4.183 4.029 1.00 0.00 H new ATOM 709 N GLY A 49 67.525 -2.370 8.138 1.00 0.00 N ATOM 710 CA GLY A 49 67.086 -2.007 9.481 1.00 0.00 C ATOM 711 C GLY A 49 67.652 -0.645 9.873 1.00 0.00 C ATOM 712 O GLY A 49 66.995 0.154 10.543 1.00 0.00 O ATOM 0 H GLY A 49 68.164 -3.164 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 49 65.997 -1.981 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.413 -2.763 10.195 1.00 0.00 H new ATOM 716 N ARG A 50 68.885 -0.395 9.444 1.00 0.00 N ATOM 717 CA ARG A 50 69.548 0.868 9.749 1.00 0.00 C ATOM 718 C ARG A 50 68.863 2.021 9.026 1.00 0.00 C ATOM 719 O ARG A 50 68.724 3.114 9.572 1.00 0.00 O ATOM 720 CB ARG A 50 71.019 0.815 9.327 1.00 0.00 C ATOM 721 CG ARG A 50 71.745 2.061 9.842 1.00 0.00 C ATOM 722 CD ARG A 50 73.178 1.696 10.229 1.00 0.00 C ATOM 723 NE ARG A 50 73.964 2.903 10.497 1.00 0.00 N ATOM 724 CZ ARG A 50 75.304 2.892 10.514 1.00 0.00 C ATOM 725 NH1 ARG A 50 75.979 1.790 10.289 1.00 0.00 N ATOM 726 NH2 ARG A 50 75.950 4.000 10.758 1.00 0.00 N ATOM 0 H ARG A 50 69.442 -1.045 8.888 1.00 0.00 H new ATOM 0 HA ARG A 50 69.485 1.029 10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.490 -0.084 9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.095 0.760 8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.751 2.834 9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.218 2.471 10.704 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.170 1.057 11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.643 1.124 9.426 1.00 0.00 H new ATOM 0 HE ARG A 50 73.475 3.780 10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 50 75.484 0.919 10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 50 76.999 1.804 10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 50 75.435 4.863 10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 50 76.970 4.003 10.773 1.00 0.00 H new ATOM 740 N ILE A 51 68.437 1.770 7.793 1.00 0.00 N ATOM 741 CA ILE A 51 67.767 2.803 7.011 1.00 0.00 C ATOM 742 C ILE A 51 66.412 3.130 7.627 1.00 0.00 C ATOM 743 O ILE A 51 66.091 4.291 7.861 1.00 0.00 O ATOM 744 CB ILE A 51 67.577 2.347 5.561 1.00 0.00 C ATOM 745 CG1 ILE A 51 68.936 1.960 4.971 1.00 0.00 C ATOM 746 CG2 ILE A 51 66.975 3.487 4.732 1.00 0.00 C ATOM 747 CD1 ILE A 51 68.751 0.856 3.927 1.00 0.00 C ATOM 0 H ILE A 51 68.541 0.873 7.318 1.00 0.00 H new ATOM 0 HA ILE A 51 68.392 3.696 7.018 1.00 0.00 H new ATOM 0 HB ILE A 51 66.904 1.490 5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 51 69.406 2.831 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 51 69.602 1.617 5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 51 66.842 3.157 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 51 66.009 3.770 5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.645 4.346 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 51 69.720 0.584 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 51 68.300 -0.018 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 51 68.101 1.215 3.129 1.00 0.00 H new ATOM 759 N GLU A 52 65.617 2.098 7.894 1.00 0.00 N ATOM 760 CA GLU A 52 64.300 2.310 8.488 1.00 0.00 C ATOM 761 C GLU A 52 64.419 3.026 9.835 1.00 0.00 C ATOM 762 O GLU A 52 63.480 3.681 10.283 1.00 0.00 O ATOM 763 CB GLU A 52 63.568 0.980 8.687 1.00 0.00 C ATOM 764 CG GLU A 52 64.408 0.054 9.570 1.00 0.00 C ATOM 765 CD GLU A 52 63.642 -1.239 9.823 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.175 -1.826 8.861 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.534 -1.624 10.976 1.00 0.00 O ATOM 0 H GLU A 52 65.855 1.123 7.713 1.00 0.00 H new ATOM 0 HA GLU A 52 63.728 2.932 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.596 1.155 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.383 0.508 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.360 -0.163 9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.637 0.545 10.516 1.00 0.00 H new ATOM 774 N ARG A 53 65.581 2.899 10.478 1.00 0.00 N ATOM 775 CA ARG A 53 65.791 3.549 11.770 1.00 0.00 C ATOM 776 C ARG A 53 66.408 4.934 11.583 1.00 0.00 C ATOM 777 O ARG A 53 66.004 5.901 12.229 1.00 0.00 O ATOM 778 CB ARG A 53 66.715 2.704 12.651 1.00 0.00 C ATOM 779 CG ARG A 53 66.293 2.839 14.118 1.00 0.00 C ATOM 780 CD ARG A 53 67.150 3.903 14.814 1.00 0.00 C ATOM 781 NE ARG A 53 68.105 3.276 15.731 1.00 0.00 N ATOM 782 CZ ARG A 53 67.716 2.696 16.877 1.00 0.00 C ATOM 783 NH1 ARG A 53 66.453 2.665 17.231 1.00 0.00 N ATOM 784 NH2 ARG A 53 68.612 2.155 17.656 1.00 0.00 N ATOM 0 H ARG A 53 66.377 2.362 10.133 1.00 0.00 H new ATOM 0 HA ARG A 53 64.820 3.650 12.255 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.671 1.659 12.344 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.748 3.029 12.528 1.00 0.00 H new ATOM 0 HG2 ARG A 53 65.239 3.112 14.178 1.00 0.00 H new ATOM 0 HG3 ARG A 53 66.404 1.881 14.627 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.685 4.491 14.069 1.00 0.00 H new ATOM 0 HD3 ARG A 53 66.509 4.592 15.363 1.00 0.00 H new ATOM 0 HE ARG A 53 69.096 3.280 15.491 1.00 0.00 H new ATOM 0 HH11 ARG A 53 65.745 3.087 16.631 1.00 0.00 H new ATOM 0 HH12 ARG A 53 66.180 2.219 18.107 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.597 2.176 17.392 1.00 0.00 H new ATOM 0 HH22 ARG A 53 68.328 1.711 18.529 1.00 0.00 H new ATOM 798 N ASP A 54 67.393 5.013 10.696 1.00 0.00 N ATOM 799 CA ASP A 54 68.071 6.275 10.427 1.00 0.00 C ATOM 800 C ASP A 54 67.157 7.230 9.665 1.00 0.00 C ATOM 801 O ASP A 54 67.091 8.422 9.965 1.00 0.00 O ATOM 802 CB ASP A 54 69.337 6.034 9.603 1.00 0.00 C ATOM 803 CG ASP A 54 70.461 5.568 10.522 1.00 0.00 C ATOM 804 OD1 ASP A 54 70.517 6.039 11.645 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.252 4.748 10.087 1.00 0.00 O ATOM 0 H ASP A 54 67.739 4.222 10.153 1.00 0.00 H new ATOM 0 HA ASP A 54 68.337 6.721 11.385 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.147 5.284 8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.629 6.950 9.089 1.00 0.00 H new ATOM 810 N TYR A 55 66.448 6.691 8.677 1.00 0.00 N ATOM 811 CA TYR A 55 65.532 7.502 7.881 1.00 0.00 C ATOM 812 C TYR A 55 64.148 7.533 8.531 1.00 0.00 C ATOM 813 O TYR A 55 63.374 8.468 8.323 1.00 0.00 O ATOM 814 CB TYR A 55 65.418 6.945 6.449 1.00 0.00 C ATOM 815 CG TYR A 55 66.631 7.315 5.585 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.749 7.993 6.120 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.627 6.971 4.223 1.00 0.00 C ATOM 818 CE1 TYR A 55 68.836 8.316 5.299 1.00 0.00 C ATOM 819 CE2 TYR A 55 67.719 7.298 3.406 1.00 0.00 C ATOM 820 CZ TYR A 55 68.821 7.970 3.945 1.00 0.00 C ATOM 821 OH TYR A 55 69.895 8.289 3.139 1.00 0.00 O ATOM 0 H TYR A 55 66.489 5.707 8.410 1.00 0.00 H new ATOM 0 HA TYR A 55 65.929 8.516 7.835 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.320 5.860 6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.511 7.329 5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.765 8.263 7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 55 65.778 6.452 3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.688 8.834 5.713 1.00 0.00 H new ATOM 0 HE2 TYR A 55 67.709 7.031 2.360 1.00 0.00 H new ATOM 0 HH TYR A 55 69.723 7.976 2.226 1.00 0.00 H new ATOM 831 N GLY A 56 63.845 6.505 9.329 1.00 0.00 N ATOM 832 CA GLY A 56 62.554 6.442 10.009 1.00 0.00 C ATOM 833 C GLY A 56 61.427 6.187 9.017 1.00 0.00 C ATOM 834 O GLY A 56 60.333 6.735 9.149 1.00 0.00 O ATOM 0 H GLY A 56 64.467 5.718 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.571 5.649 10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 56 62.372 7.377 10.539 1.00 0.00 H new ATOM 838 N VAL A 57 61.703 5.358 8.014 1.00 0.00 N ATOM 839 CA VAL A 57 60.695 5.056 7.005 1.00 0.00 C ATOM 840 C VAL A 57 60.708 3.570 6.650 1.00 0.00 C ATOM 841 O VAL A 57 61.696 2.872 6.873 1.00 0.00 O ATOM 842 CB VAL A 57 60.957 5.876 5.743 1.00 0.00 C ATOM 843 CG1 VAL A 57 59.774 5.727 4.797 1.00 0.00 C ATOM 844 CG2 VAL A 57 61.127 7.354 6.107 1.00 0.00 C ATOM 0 H VAL A 57 62.600 4.891 7.880 1.00 0.00 H new ATOM 0 HA VAL A 57 59.718 5.312 7.416 1.00 0.00 H new ATOM 0 HB VAL A 57 61.867 5.517 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 57 59.955 6.310 3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 57 59.650 4.677 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 57 58.869 6.087 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.314 7.932 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 57 60.219 7.717 6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.970 7.466 6.789 1.00 0.00 H new ATOM 854 N GLN A 58 59.593 3.096 6.091 1.00 0.00 N ATOM 855 CA GLN A 58 59.475 1.689 5.703 1.00 0.00 C ATOM 856 C GLN A 58 58.086 1.409 5.131 1.00 0.00 C ATOM 857 O GLN A 58 57.110 2.069 5.486 1.00 0.00 O ATOM 858 CB GLN A 58 59.708 0.771 6.908 1.00 0.00 C ATOM 859 CG GLN A 58 60.413 -0.508 6.452 1.00 0.00 C ATOM 860 CD GLN A 58 60.126 -1.631 7.443 1.00 0.00 C ATOM 861 OE1 GLN A 58 59.070 -1.654 8.075 1.00 0.00 O ATOM 862 NE2 GLN A 58 61.013 -2.571 7.618 1.00 0.00 N ATOM 0 H GLN A 58 58.765 3.660 5.898 1.00 0.00 H new ATOM 0 HA GLN A 58 60.232 1.489 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 58 60.312 1.284 7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 58 58.757 0.525 7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 58 60.069 -0.790 5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.487 -0.338 6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 58 61.888 -2.551 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 58 60.832 -3.326 8.279 1.00 0.00 H new ATOM 871 N LEU A 59 58.010 0.421 4.241 1.00 0.00 N ATOM 872 CA LEU A 59 56.732 0.061 3.625 1.00 0.00 C ATOM 873 C LEU A 59 56.364 -1.385 3.946 1.00 0.00 C ATOM 874 O LEU A 59 55.205 -1.699 4.216 1.00 0.00 O ATOM 875 CB LEU A 59 56.801 0.221 2.107 1.00 0.00 C ATOM 876 CG LEU A 59 57.499 1.492 1.621 1.00 0.00 C ATOM 877 CD1 LEU A 59 58.145 1.231 0.257 1.00 0.00 C ATOM 878 CD2 LEU A 59 56.473 2.623 1.491 1.00 0.00 C ATOM 0 H LEU A 59 58.805 -0.138 3.933 1.00 0.00 H new ATOM 0 HA LEU A 59 55.973 0.730 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.319 -0.642 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.786 0.207 1.709 1.00 0.00 H new ATOM 0 HG LEU A 59 58.267 1.780 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.642 2.137 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 59 58.876 0.428 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.377 0.942 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.971 3.528 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.704 2.336 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.013 2.811 2.461 1.00 0.00 H new ATOM 890 N GLY A 60 57.363 -2.264 3.910 1.00 0.00 N ATOM 891 CA GLY A 60 57.130 -3.674 4.194 1.00 0.00 C ATOM 892 C GLY A 60 58.444 -4.401 4.451 1.00 0.00 C ATOM 893 O GLY A 60 59.380 -4.331 3.655 1.00 0.00 O ATOM 0 H GLY A 60 58.330 -2.027 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 60 56.480 -3.771 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.611 -4.137 3.355 1.00 0.00 H new ATOM 897 N ASP A 61 58.497 -5.102 5.578 1.00 0.00 N ATOM 898 CA ASP A 61 59.697 -5.849 5.953 1.00 0.00 C ATOM 899 C ASP A 61 60.068 -6.885 4.889 1.00 0.00 C ATOM 900 O ASP A 61 61.208 -7.347 4.833 1.00 0.00 O ATOM 901 CB ASP A 61 59.479 -6.568 7.287 1.00 0.00 C ATOM 902 CG ASP A 61 59.498 -5.551 8.423 1.00 0.00 C ATOM 903 OD1 ASP A 61 58.493 -4.886 8.614 1.00 0.00 O ATOM 904 OD2 ASP A 61 60.517 -5.453 9.087 1.00 0.00 O ATOM 0 H ASP A 61 57.729 -5.170 6.246 1.00 0.00 H new ATOM 0 HA ASP A 61 60.512 -5.130 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 61 58.526 -7.098 7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 61 60.257 -7.315 7.441 1.00 0.00 H new ATOM 909 N ASP A 62 59.102 -7.251 4.045 1.00 0.00 N ATOM 910 CA ASP A 62 59.362 -8.239 3.002 1.00 0.00 C ATOM 911 C ASP A 62 60.104 -7.627 1.810 1.00 0.00 C ATOM 912 O ASP A 62 60.440 -8.330 0.852 1.00 0.00 O ATOM 913 CB ASP A 62 58.054 -8.856 2.506 1.00 0.00 C ATOM 914 CG ASP A 62 57.100 -7.749 2.071 1.00 0.00 C ATOM 915 OD1 ASP A 62 57.178 -7.343 0.923 1.00 0.00 O ATOM 916 OD2 ASP A 62 56.304 -7.323 2.892 1.00 0.00 O ATOM 0 H ASP A 62 58.150 -6.885 4.063 1.00 0.00 H new ATOM 0 HA ASP A 62 59.991 -9.010 3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 62 58.251 -9.529 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 62 57.599 -9.453 3.296 1.00 0.00 H new ATOM 921 N ALA A 63 60.384 -6.320 1.873 1.00 0.00 N ATOM 922 CA ALA A 63 61.111 -5.658 0.793 1.00 0.00 C ATOM 923 C ALA A 63 62.457 -6.341 0.580 1.00 0.00 C ATOM 924 O ALA A 63 62.958 -6.435 -0.539 1.00 0.00 O ATOM 925 CB ALA A 63 61.354 -4.191 1.139 1.00 0.00 C ATOM 0 H ALA A 63 60.122 -5.711 2.648 1.00 0.00 H new ATOM 0 HA ALA A 63 60.512 -5.723 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.897 -3.710 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 63 60.398 -3.688 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 63 61.941 -4.126 2.055 1.00 0.00 H new ATOM 931 N VAL A 64 63.024 -6.830 1.680 1.00 0.00 N ATOM 932 CA VAL A 64 64.306 -7.523 1.621 1.00 0.00 C ATOM 933 C VAL A 64 64.151 -8.853 0.886 1.00 0.00 C ATOM 934 O VAL A 64 65.089 -9.342 0.256 1.00 0.00 O ATOM 935 CB VAL A 64 64.847 -7.784 3.030 1.00 0.00 C ATOM 936 CG1 VAL A 64 65.111 -6.447 3.728 1.00 0.00 C ATOM 937 CG2 VAL A 64 63.824 -8.592 3.840 1.00 0.00 C ATOM 0 H VAL A 64 62.620 -6.760 2.614 1.00 0.00 H new ATOM 0 HA VAL A 64 65.010 -6.888 1.083 1.00 0.00 H new ATOM 0 HB VAL A 64 65.776 -8.351 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 64 65.496 -6.630 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.843 -5.877 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.182 -5.881 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 64 64.215 -8.774 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 64 62.892 -8.032 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 64 63.638 -9.545 3.344 1.00 0.00 H new ATOM 947 N GLU A 65 62.953 -9.432 0.971 1.00 0.00 N ATOM 948 CA GLU A 65 62.685 -10.703 0.306 1.00 0.00 C ATOM 949 C GLU A 65 62.755 -10.526 -1.205 1.00 0.00 C ATOM 950 O GLU A 65 63.574 -11.148 -1.881 1.00 0.00 O ATOM 951 CB GLU A 65 61.299 -11.227 0.686 1.00 0.00 C ATOM 952 CG GLU A 65 61.133 -12.655 0.164 1.00 0.00 C ATOM 953 CD GLU A 65 61.702 -13.638 1.180 1.00 0.00 C ATOM 954 OE1 GLU A 65 62.737 -13.336 1.751 1.00 0.00 O ATOM 955 OE2 GLU A 65 61.095 -14.679 1.373 1.00 0.00 O ATOM 0 H GLU A 65 62.163 -9.045 1.488 1.00 0.00 H new ATOM 0 HA GLU A 65 63.439 -11.422 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 65 61.175 -11.208 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.527 -10.583 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 65 60.079 -12.868 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.646 -12.766 -0.792 1.00 0.00 H new ATOM 962 N LYS A 66 61.888 -9.664 -1.726 1.00 0.00 N ATOM 963 CA LYS A 66 61.859 -9.402 -3.162 1.00 0.00 C ATOM 964 C LYS A 66 63.131 -8.679 -3.603 1.00 0.00 C ATOM 965 O LYS A 66 63.558 -8.792 -4.752 1.00 0.00 O ATOM 966 CB LYS A 66 60.647 -8.543 -3.526 1.00 0.00 C ATOM 967 CG LYS A 66 59.362 -9.288 -3.155 1.00 0.00 C ATOM 968 CD LYS A 66 58.853 -10.063 -4.371 1.00 0.00 C ATOM 969 CE LYS A 66 57.323 -10.102 -4.350 1.00 0.00 C ATOM 970 NZ LYS A 66 56.831 -10.923 -5.492 1.00 0.00 N ATOM 0 H LYS A 66 61.202 -9.139 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 66 61.792 -10.362 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.692 -7.590 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.654 -8.318 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.551 -9.972 -2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.604 -8.581 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 66 59.202 -9.590 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 66 59.253 -11.077 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.972 -10.523 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 66 56.922 -9.091 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 55.791 -10.950 -5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 57.155 -10.503 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 57.203 -11.891 -5.410 1.00 0.00 H new ATOM 984 N ALA A 67 63.728 -7.932 -2.677 1.00 0.00 N ATOM 985 CA ALA A 67 64.949 -7.188 -2.976 1.00 0.00 C ATOM 986 C ALA A 67 66.065 -8.123 -3.432 1.00 0.00 C ATOM 987 O ALA A 67 66.735 -8.760 -2.618 1.00 0.00 O ATOM 988 CB ALA A 67 65.422 -6.431 -1.738 1.00 0.00 C ATOM 0 H ALA A 67 63.389 -7.826 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 67 64.719 -6.487 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.333 -5.881 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.648 -5.732 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.624 -7.139 -0.934 1.00 0.00 H new ATOM 994 N THR A 68 66.269 -8.183 -4.744 1.00 0.00 N ATOM 995 CA THR A 68 67.315 -9.018 -5.314 1.00 0.00 C ATOM 996 C THR A 68 68.538 -8.172 -5.620 1.00 0.00 C ATOM 997 O THR A 68 69.674 -8.607 -5.469 1.00 0.00 O ATOM 998 CB THR A 68 66.828 -9.650 -6.606 1.00 0.00 C ATOM 999 OG1 THR A 68 66.320 -8.640 -7.467 1.00 0.00 O ATOM 1000 CG2 THR A 68 65.729 -10.647 -6.282 1.00 0.00 C ATOM 0 H THR A 68 65.723 -7.663 -5.431 1.00 0.00 H new ATOM 0 HA THR A 68 67.570 -9.796 -4.595 1.00 0.00 H new ATOM 0 HB THR A 68 67.653 -10.160 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 68 66.007 -9.048 -8.301 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.372 -11.107 -7.203 1.00 0.00 H new ATOM 0 HG22 THR A 68 66.121 -11.419 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 68 64.904 -10.132 -5.790 1.00 0.00 H new ATOM 1008 N THR A 69 68.279 -6.949 -6.053 1.00 0.00 N ATOM 1009 CA THR A 69 69.354 -6.020 -6.381 1.00 0.00 C ATOM 1010 C THR A 69 69.337 -4.856 -5.389 1.00 0.00 C ATOM 1011 O THR A 69 68.362 -4.677 -4.660 1.00 0.00 O ATOM 1012 CB THR A 69 69.176 -5.458 -7.803 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.837 -5.664 -8.233 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.131 -6.159 -8.768 1.00 0.00 C ATOM 0 H THR A 69 67.339 -6.575 -6.186 1.00 0.00 H new ATOM 0 HA THR A 69 70.301 -6.556 -6.326 1.00 0.00 H new ATOM 0 HB THR A 69 69.398 -4.391 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.725 -5.304 -9.138 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.997 -5.754 -9.771 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.159 -5.996 -8.445 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.919 -7.228 -8.777 1.00 0.00 H new ATOM 1022 N PRO A 70 70.391 -4.029 -5.363 1.00 0.00 N ATOM 1023 CA PRO A 70 70.427 -2.873 -4.453 1.00 0.00 C ATOM 1024 C PRO A 70 69.417 -1.818 -4.881 1.00 0.00 C ATOM 1025 O PRO A 70 68.833 -1.121 -4.054 1.00 0.00 O ATOM 1026 CB PRO A 70 71.862 -2.378 -4.592 1.00 0.00 C ATOM 1027 CG PRO A 70 72.363 -2.884 -5.934 1.00 0.00 C ATOM 1028 CD PRO A 70 71.587 -4.170 -6.228 1.00 0.00 C ATOM 0 HA PRO A 70 70.164 -3.115 -3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.903 -1.290 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.483 -2.754 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.196 -2.143 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.435 -3.076 -5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.319 -4.250 -7.281 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.166 -5.059 -5.978 1.00 0.00 H new ATOM 1036 N ARG A 71 69.195 -1.737 -6.192 1.00 0.00 N ATOM 1037 CA ARG A 71 68.227 -0.790 -6.728 1.00 0.00 C ATOM 1038 C ARG A 71 66.826 -1.125 -6.214 1.00 0.00 C ATOM 1039 O ARG A 71 65.971 -0.249 -6.089 1.00 0.00 O ATOM 1040 CB ARG A 71 68.221 -0.837 -8.257 1.00 0.00 C ATOM 1041 CG ARG A 71 69.619 -0.513 -8.783 1.00 0.00 C ATOM 1042 CD ARG A 71 69.840 1.000 -8.751 1.00 0.00 C ATOM 1043 NE ARG A 71 70.676 1.423 -9.877 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.969 2.711 -10.102 1.00 0.00 C ATOM 1045 NH1 ARG A 71 70.517 3.660 -9.317 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.719 3.028 -11.122 1.00 0.00 N ATOM 0 H ARG A 71 69.667 -2.309 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 71 68.511 0.210 -6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.912 -1.824 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.498 -0.122 -8.650 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.373 -1.014 -8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.731 -0.886 -9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.880 1.514 -8.791 1.00 0.00 H new ATOM 0 HD3 ARG A 71 70.315 1.284 -7.812 1.00 0.00 H new ATOM 0 HE ARG A 71 71.047 0.714 -10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.930 3.424 -8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 71 70.752 4.634 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 71 72.076 2.298 -11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.948 4.005 -11.302 1.00 0.00 H new ATOM 1060 N ALA A 72 66.602 -2.407 -5.906 1.00 0.00 N ATOM 1061 CA ALA A 72 65.304 -2.840 -5.395 1.00 0.00 C ATOM 1062 C ALA A 72 65.043 -2.191 -4.046 1.00 0.00 C ATOM 1063 O ALA A 72 64.044 -1.499 -3.852 1.00 0.00 O ATOM 1064 CB ALA A 72 65.266 -4.361 -5.237 1.00 0.00 C ATOM 0 H ALA A 72 67.294 -3.151 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 72 64.535 -2.539 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.291 -4.663 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.438 -4.832 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.042 -4.674 -4.538 1.00 0.00 H new ATOM 1070 N LEU A 73 65.968 -2.415 -3.115 1.00 0.00 N ATOM 1071 CA LEU A 73 65.853 -1.836 -1.775 1.00 0.00 C ATOM 1072 C LEU A 73 65.748 -0.320 -1.869 1.00 0.00 C ATOM 1073 O LEU A 73 64.873 0.299 -1.266 1.00 0.00 O ATOM 1074 CB LEU A 73 67.077 -2.183 -0.929 1.00 0.00 C ATOM 1075 CG LEU A 73 67.383 -3.673 -0.809 1.00 0.00 C ATOM 1076 CD1 LEU A 73 68.796 -3.860 -0.253 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.375 -4.321 0.142 1.00 0.00 C ATOM 0 H LEU A 73 66.799 -2.988 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 73 64.958 -2.248 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.947 -1.683 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 73 66.934 -1.776 0.072 1.00 0.00 H new ATOM 0 HG LEU A 73 67.313 -4.140 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.015 -4.924 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.516 -3.394 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.865 -3.395 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.591 -5.386 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.448 -3.853 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.367 -4.186 -0.250 1.00 0.00 H new ATOM 1089 N ILE A 74 66.653 0.266 -2.650 1.00 0.00 N ATOM 1090 CA ILE A 74 66.662 1.715 -2.839 1.00 0.00 C ATOM 1091 C ILE A 74 65.329 2.172 -3.428 1.00 0.00 C ATOM 1092 O ILE A 74 64.793 3.210 -3.051 1.00 0.00 O ATOM 1093 CB ILE A 74 67.807 2.133 -3.773 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.140 1.665 -3.186 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.838 3.659 -3.914 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.198 1.623 -4.291 1.00 0.00 C ATOM 0 H ILE A 74 67.383 -0.234 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 74 66.812 2.187 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 74 67.648 1.679 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.456 2.340 -2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.026 0.677 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.653 3.947 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.892 4.005 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 74 67.991 4.112 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.148 1.290 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.882 0.931 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.319 2.619 -4.717 1.00 0.00 H new ATOM 1108 N GLU A 75 64.796 1.380 -4.352 1.00 0.00 N ATOM 1109 CA GLU A 75 63.522 1.720 -4.974 1.00 0.00 C ATOM 1110 C GLU A 75 62.413 1.701 -3.931 1.00 0.00 C ATOM 1111 O GLU A 75 61.597 2.620 -3.849 1.00 0.00 O ATOM 1112 CB GLU A 75 63.183 0.730 -6.091 1.00 0.00 C ATOM 1113 CG GLU A 75 63.721 1.260 -7.423 1.00 0.00 C ATOM 1114 CD GLU A 75 63.040 0.526 -8.573 1.00 0.00 C ATOM 1115 OE1 GLU A 75 63.342 -0.639 -8.768 1.00 0.00 O ATOM 1116 OE2 GLU A 75 62.226 1.142 -9.243 1.00 0.00 O ATOM 0 H GLU A 75 65.218 0.512 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 75 63.607 2.719 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.619 -0.245 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.104 0.590 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 75 63.537 2.332 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 75 64.800 1.117 -7.474 1.00 0.00 H new ATOM 1123 N MET A 76 62.401 0.644 -3.128 1.00 0.00 N ATOM 1124 CA MET A 76 61.401 0.507 -2.080 1.00 0.00 C ATOM 1125 C MET A 76 61.611 1.578 -1.015 1.00 0.00 C ATOM 1126 O MET A 76 60.656 2.087 -0.429 1.00 0.00 O ATOM 1127 CB MET A 76 61.498 -0.873 -1.430 1.00 0.00 C ATOM 1128 CG MET A 76 60.761 -1.896 -2.295 1.00 0.00 C ATOM 1129 SD MET A 76 61.426 -3.549 -1.976 1.00 0.00 S ATOM 1130 CE MET A 76 61.068 -4.256 -3.604 1.00 0.00 C ATOM 0 H MET A 76 63.068 -0.125 -3.183 1.00 0.00 H new ATOM 0 HA MET A 76 60.414 0.625 -2.528 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.543 -1.161 -1.318 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.065 -0.847 -0.430 1.00 0.00 H new ATOM 0 HG2 MET A 76 59.694 -1.873 -2.074 1.00 0.00 H new ATOM 0 HG3 MET A 76 60.874 -1.645 -3.350 1.00 0.00 H new ATOM 0 HE1 MET A 76 61.402 -5.293 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 76 59.995 -4.216 -3.790 1.00 0.00 H new ATOM 0 HE3 MET A 76 61.591 -3.686 -4.371 1.00 0.00 H new ATOM 1140 N THR A 77 62.875 1.921 -0.777 1.00 0.00 N ATOM 1141 CA THR A 77 63.198 2.940 0.216 1.00 0.00 C ATOM 1142 C THR A 77 62.829 4.323 -0.311 1.00 0.00 C ATOM 1143 O THR A 77 62.178 5.109 0.374 1.00 0.00 O ATOM 1144 CB THR A 77 64.693 2.911 0.554 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.083 1.575 0.845 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.971 3.794 1.773 1.00 0.00 C ATOM 0 H THR A 77 63.681 1.514 -1.251 1.00 0.00 H new ATOM 0 HA THR A 77 62.625 2.728 1.118 1.00 0.00 H new ATOM 0 HB THR A 77 65.260 3.286 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.383 1.135 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 77 66.035 3.768 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.673 4.819 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.403 3.425 2.627 1.00 0.00 H new ATOM 1154 N ASN A 78 63.239 4.611 -1.545 1.00 0.00 N ATOM 1155 CA ASN A 78 62.931 5.904 -2.154 1.00 0.00 C ATOM 1156 C ASN A 78 61.423 6.084 -2.258 1.00 0.00 C ATOM 1157 O ASN A 78 60.900 7.184 -2.097 1.00 0.00 O ATOM 1158 CB ASN A 78 63.539 6.002 -3.553 1.00 0.00 C ATOM 1159 CG ASN A 78 65.010 6.382 -3.443 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.414 7.465 -3.860 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.842 5.548 -2.892 1.00 0.00 N ATOM 0 H ASN A 78 63.777 3.977 -2.136 1.00 0.00 H new ATOM 0 HA ASN A 78 63.356 6.685 -1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.437 5.050 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 78 63.003 6.746 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.828 5.793 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.508 4.649 -2.545 1.00 0.00 H new ATOM 1168 N ALA A 79 60.736 4.976 -2.517 1.00 0.00 N ATOM 1169 CA ALA A 79 59.283 4.987 -2.634 1.00 0.00 C ATOM 1170 C ALA A 79 58.657 5.276 -1.277 1.00 0.00 C ATOM 1171 O ALA A 79 57.621 5.933 -1.173 1.00 0.00 O ATOM 1172 CB ALA A 79 58.786 3.630 -3.130 1.00 0.00 C ATOM 0 H ALA A 79 61.163 4.059 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 79 58.997 5.762 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.699 3.649 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.222 3.418 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.082 2.854 -2.424 1.00 0.00 H new ATOM 1178 N SER A 80 59.307 4.772 -0.236 1.00 0.00 N ATOM 1179 CA SER A 80 58.834 4.965 1.121 1.00 0.00 C ATOM 1180 C SER A 80 59.164 6.376 1.592 1.00 0.00 C ATOM 1181 O SER A 80 58.323 7.074 2.159 1.00 0.00 O ATOM 1182 CB SER A 80 59.485 3.936 2.050 1.00 0.00 C ATOM 1183 OG SER A 80 60.771 4.392 2.457 1.00 0.00 O ATOM 0 H SER A 80 60.165 4.226 -0.310 1.00 0.00 H new ATOM 0 HA SER A 80 57.753 4.830 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.855 3.773 2.924 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.575 2.978 1.539 1.00 0.00 H new ATOM 0 HG SER A 80 61.362 4.444 1.677 1.00 0.00 H new ATOM 1189 N LEU A 81 60.402 6.786 1.342 1.00 0.00 N ATOM 1190 CA LEU A 81 60.850 8.115 1.732 1.00 0.00 C ATOM 1191 C LEU A 81 60.033 9.187 1.019 1.00 0.00 C ATOM 1192 O LEU A 81 59.519 10.112 1.647 1.00 0.00 O ATOM 1193 CB LEU A 81 62.331 8.285 1.389 1.00 0.00 C ATOM 1194 CG LEU A 81 63.345 7.687 2.392 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.761 6.477 3.142 1.00 0.00 C ATOM 1196 CD2 LEU A 81 64.610 7.253 1.639 1.00 0.00 C ATOM 0 H LEU A 81 61.109 6.220 0.873 1.00 0.00 H new ATOM 0 HA LEU A 81 60.710 8.226 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.509 7.833 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.538 9.351 1.289 1.00 0.00 H new ATOM 0 HG LEU A 81 63.583 8.456 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 81 63.504 6.086 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 81 61.874 6.785 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 81 62.490 5.701 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 81 65.326 6.831 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 81 64.350 6.502 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 81 65.054 8.117 1.144 1.00 0.00 H new ATOM 1208 N THR A 82 59.915 9.051 -0.299 1.00 0.00 N ATOM 1209 CA THR A 82 59.147 10.023 -1.081 1.00 0.00 C ATOM 1210 C THR A 82 57.692 10.050 -0.611 1.00 0.00 C ATOM 1211 O THR A 82 57.057 11.105 -0.571 1.00 0.00 O ATOM 1212 CB THR A 82 59.198 9.688 -2.581 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.506 10.693 -3.309 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.546 8.328 -2.848 1.00 0.00 C ATOM 0 H THR A 82 60.331 8.294 -0.842 1.00 0.00 H new ATOM 0 HA THR A 82 59.595 11.005 -0.928 1.00 0.00 H new ATOM 0 HB THR A 82 60.240 9.647 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.537 10.484 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.591 8.106 -3.914 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.078 7.555 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.505 8.354 -2.526 1.00 0.00 H new ATOM 1222 N GLY A 83 57.177 8.876 -0.250 1.00 0.00 N ATOM 1223 CA GLY A 83 55.800 8.773 0.224 1.00 0.00 C ATOM 1224 C GLY A 83 55.759 8.700 1.747 1.00 0.00 C ATOM 1225 O GLY A 83 54.872 8.075 2.329 1.00 0.00 O ATOM 0 H GLY A 83 57.686 7.993 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.226 9.634 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.329 7.886 -0.201 1.00 0.00 H new