USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 6 THR OG1 : rot -73:sc= 1.63 USER MOD Set 1.2: A 56 TYR OH : rot -140:sc= 1.15 USER MOD Single : A 3 THR OG1 : rot 26:sc= 0.349 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 54:sc= 1.3 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 140:sc= 0.0976 USER MOD Single : A 27 SER OG : rot 90:sc= 1.24 USER MOD Single : A 40 TYR OH : rot -150:sc= -0.0208 USER MOD Single : A 42 SER OG : rot 180:sc= 0.123 USER MOD Single : A 46 MET CE :methyl -143:sc= -0.527 (180deg=-2.56!) USER MOD Single : A 48 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.613 USER MOD Single : A 79 ASN : amide:sc= -4.31! C(o=-4.3!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -14.751 8.333 -0.699 1.00 1.35 N ATOM 31 CA THR A 3 -13.492 8.328 -0.003 1.00 1.15 C ATOM 32 C THR A 3 -12.524 7.386 -0.719 1.00 1.02 C ATOM 33 O THR A 3 -12.704 6.162 -0.701 1.00 1.25 O ATOM 34 CB THR A 3 -13.735 7.832 1.420 1.00 1.52 C ATOM 35 OG1 THR A 3 -14.852 8.565 1.982 1.00 2.18 O ATOM 36 CG2 THR A 3 -12.498 8.036 2.291 1.00 1.91 C ATOM 0 HA THR A 3 -13.063 9.330 0.018 1.00 1.15 H new ATOM 0 HB THR A 3 -13.955 6.765 1.391 1.00 1.52 H new ATOM 0 HG1 THR A 3 -15.432 8.883 1.259 1.00 2.18 H new ATOM 0 HG21 THR A 3 -12.699 7.674 3.299 1.00 1.91 H new ATOM 0 HG22 THR A 3 -11.660 7.483 1.867 1.00 1.91 H new ATOM 0 HG23 THR A 3 -12.251 9.097 2.329 1.00 1.91 H new ATOM 44 N LEU A 4 -11.563 7.954 -1.402 1.00 0.80 N ATOM 45 CA LEU A 4 -10.588 7.175 -2.129 1.00 0.74 C ATOM 46 C LEU A 4 -9.335 6.998 -1.290 1.00 0.68 C ATOM 47 O LEU A 4 -9.159 7.690 -0.286 1.00 0.89 O ATOM 48 CB LEU A 4 -10.234 7.849 -3.450 1.00 0.74 C ATOM 49 CG LEU A 4 -11.391 8.121 -4.417 1.00 0.89 C ATOM 50 CD1 LEU A 4 -10.867 8.774 -5.685 1.00 1.00 C ATOM 51 CD2 LEU A 4 -12.135 6.829 -4.754 1.00 1.10 C ATOM 0 H LEU A 4 -11.433 8.963 -1.471 1.00 0.80 H new ATOM 0 HA LEU A 4 -11.020 6.198 -2.343 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -9.747 8.798 -3.227 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -9.501 7.227 -3.963 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.093 8.800 -3.932 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -11.697 8.963 -6.366 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -10.381 9.717 -5.434 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -10.147 8.111 -6.165 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -12.952 7.048 -5.442 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -11.447 6.124 -5.221 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -12.538 6.392 -3.840 1.00 1.10 H new ATOM 63 N LEU A 5 -8.476 6.085 -1.705 1.00 0.59 N ATOM 64 CA LEU A 5 -7.243 5.807 -1.000 1.00 0.61 C ATOM 65 C LEU A 5 -6.277 6.918 -1.381 1.00 0.53 C ATOM 66 O LEU A 5 -6.042 7.158 -2.580 1.00 0.53 O ATOM 67 CB LEU A 5 -6.719 4.415 -1.452 1.00 0.76 C ATOM 68 CG LEU A 5 -5.690 3.663 -0.570 1.00 0.75 C ATOM 69 CD1 LEU A 5 -4.381 4.390 -0.402 1.00 1.16 C ATOM 70 CD2 LEU A 5 -6.274 3.336 0.768 1.00 1.48 C ATOM 0 H LEU A 5 -8.616 5.517 -2.540 1.00 0.59 H new ATOM 0 HA LEU A 5 -7.370 5.778 0.082 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -7.585 3.763 -1.571 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -6.274 4.538 -2.439 1.00 0.76 H new ATOM 0 HG LEU A 5 -5.462 2.742 -1.107 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -3.715 3.800 0.228 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -3.920 4.539 -1.378 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -4.560 5.358 0.066 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -5.533 2.809 1.369 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -6.563 4.257 1.274 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -7.152 2.704 0.637 1.00 1.48 H new ATOM 82 N THR A 6 -5.757 7.607 -0.401 1.00 0.60 N ATOM 83 CA THR A 6 -4.903 8.730 -0.660 1.00 0.62 C ATOM 84 C THR A 6 -3.458 8.297 -0.885 1.00 0.56 C ATOM 85 O THR A 6 -3.061 7.193 -0.519 1.00 0.55 O ATOM 86 CB THR A 6 -4.958 9.769 0.486 1.00 0.80 C ATOM 87 OG1 THR A 6 -4.513 9.174 1.720 1.00 0.88 O ATOM 88 CG2 THR A 6 -6.368 10.318 0.658 1.00 0.93 C ATOM 0 H THR A 6 -5.912 7.408 0.587 1.00 0.60 H new ATOM 0 HA THR A 6 -5.276 9.196 -1.572 1.00 0.62 H new ATOM 0 HB THR A 6 -4.295 10.594 0.225 1.00 0.80 H new ATOM 0 HG1 THR A 6 -5.200 8.560 2.054 1.00 0.88 H new ATOM 0 HG21 THR A 6 -6.379 11.046 1.469 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.686 10.800 -0.266 1.00 0.93 H new ATOM 0 HG23 THR A 6 -7.050 9.501 0.894 1.00 0.93 H new ATOM 96 N THR A 7 -2.675 9.175 -1.440 1.00 0.59 N ATOM 97 CA THR A 7 -1.300 8.925 -1.646 1.00 0.58 C ATOM 98 C THR A 7 -0.589 9.160 -0.302 1.00 0.47 C ATOM 99 O THR A 7 0.416 8.517 0.025 1.00 0.45 O ATOM 100 CB THR A 7 -0.774 9.877 -2.744 1.00 0.70 C ATOM 101 OG1 THR A 7 -1.558 9.700 -3.954 1.00 1.31 O ATOM 102 CG2 THR A 7 0.674 9.601 -3.060 1.00 1.10 C ATOM 0 H THR A 7 -2.988 10.091 -1.762 1.00 0.59 H new ATOM 0 HA THR A 7 -1.115 7.904 -1.980 1.00 0.58 H new ATOM 0 HB THR A 7 -0.863 10.899 -2.375 1.00 0.70 H new ATOM 0 HG1 THR A 7 -1.226 10.305 -4.650 1.00 1.31 H new ATOM 0 HG21 THR A 7 1.014 10.287 -3.836 1.00 1.10 H new ATOM 0 HG22 THR A 7 1.276 9.742 -2.162 1.00 1.10 H new ATOM 0 HG23 THR A 7 0.781 8.575 -3.411 1.00 1.10 H new ATOM 110 N ASP A 8 -1.192 10.038 0.499 1.00 0.52 N ATOM 111 CA ASP A 8 -0.697 10.368 1.826 1.00 0.54 C ATOM 112 C ASP A 8 -0.795 9.198 2.762 1.00 0.48 C ATOM 113 O ASP A 8 0.207 8.781 3.332 1.00 0.52 O ATOM 114 CB ASP A 8 -1.415 11.572 2.432 1.00 0.71 C ATOM 115 CG ASP A 8 -1.060 12.861 1.758 1.00 1.19 C ATOM 116 OD1 ASP A 8 0.044 13.392 2.022 1.00 1.67 O ATOM 117 OD2 ASP A 8 -1.866 13.375 0.947 1.00 1.79 O ATOM 0 H ASP A 8 -2.041 10.540 0.240 1.00 0.52 H new ATOM 0 HA ASP A 8 0.353 10.629 1.697 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -2.492 11.418 2.366 1.00 0.71 H new ATOM 0 HB3 ASP A 8 -1.167 11.641 3.491 1.00 0.71 H new ATOM 122 N ASP A 9 -1.986 8.636 2.915 1.00 0.50 N ATOM 123 CA ASP A 9 -2.161 7.502 3.823 1.00 0.59 C ATOM 124 C ASP A 9 -1.417 6.279 3.343 1.00 0.52 C ATOM 125 O ASP A 9 -0.942 5.487 4.155 1.00 0.60 O ATOM 126 CB ASP A 9 -3.633 7.174 4.148 1.00 0.80 C ATOM 127 CG ASP A 9 -4.281 8.167 5.103 1.00 1.24 C ATOM 128 OD1 ASP A 9 -3.916 8.188 6.311 1.00 2.00 O ATOM 129 OD2 ASP A 9 -5.182 8.930 4.694 1.00 1.68 O ATOM 0 H ASP A 9 -2.834 8.937 2.434 1.00 0.50 H new ATOM 0 HA ASP A 9 -1.718 7.823 4.766 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -4.205 7.149 3.220 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.687 6.176 4.583 1.00 0.80 H new ATOM 134 N LEU A 10 -1.277 6.138 2.024 1.00 0.46 N ATOM 135 CA LEU A 10 -0.504 5.032 1.452 1.00 0.48 C ATOM 136 C LEU A 10 0.954 5.202 1.917 1.00 0.45 C ATOM 137 O LEU A 10 1.570 4.266 2.422 1.00 0.51 O ATOM 138 CB LEU A 10 -0.584 5.064 -0.095 1.00 0.52 C ATOM 139 CG LEU A 10 -0.384 3.736 -0.870 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.396 3.988 -2.358 1.00 1.07 C ATOM 141 CD2 LEU A 10 0.881 3.004 -0.476 1.00 1.19 C ATOM 0 H LEU A 10 -1.685 6.770 1.335 1.00 0.46 H new ATOM 0 HA LEU A 10 -0.902 4.073 1.783 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.560 5.465 -0.369 1.00 0.52 H new ATOM 0 HB3 LEU A 10 0.163 5.773 -0.452 1.00 0.52 H new ATOM 0 HG LEU A 10 -1.220 3.090 -0.600 1.00 0.65 H new ATOM 0 HD11 LEU A 10 -0.254 3.046 -2.888 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -1.352 4.426 -2.645 1.00 1.07 H new ATOM 0 HD13 LEU A 10 0.410 4.675 -2.617 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.963 2.083 -1.053 1.00 1.19 H new ATOM 0 HD22 LEU A 10 1.745 3.637 -0.677 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.847 2.764 0.587 1.00 1.19 H new ATOM 153 N ARG A 11 1.465 6.430 1.787 1.00 0.42 N ATOM 154 CA ARG A 11 2.803 6.792 2.254 1.00 0.47 C ATOM 155 C ARG A 11 2.953 6.480 3.739 1.00 0.47 C ATOM 156 O ARG A 11 3.926 5.863 4.153 1.00 0.53 O ATOM 157 CB ARG A 11 3.099 8.283 1.953 1.00 0.56 C ATOM 158 CG ARG A 11 4.302 8.863 2.692 1.00 0.83 C ATOM 159 CD ARG A 11 4.712 10.230 2.152 1.00 0.87 C ATOM 160 NE ARG A 11 3.623 11.238 2.126 1.00 0.97 N ATOM 161 CZ ARG A 11 3.720 12.426 1.479 1.00 1.40 C ATOM 162 NH1 ARG A 11 4.919 12.865 1.104 1.00 1.87 N ATOM 163 NH2 ARG A 11 2.649 13.212 1.293 1.00 1.87 N ATOM 0 H ARG A 11 0.959 7.202 1.353 1.00 0.42 H new ATOM 0 HA ARG A 11 3.537 6.194 1.714 1.00 0.47 H new ATOM 0 HB2 ARG A 11 3.261 8.397 0.881 1.00 0.56 H new ATOM 0 HB3 ARG A 11 2.217 8.871 2.207 1.00 0.56 H new ATOM 0 HG2 ARG A 11 4.066 8.950 3.753 1.00 0.83 H new ATOM 0 HG3 ARG A 11 5.143 8.175 2.608 1.00 0.83 H new ATOM 0 HD2 ARG A 11 5.531 10.615 2.760 1.00 0.87 H new ATOM 0 HD3 ARG A 11 5.098 10.105 1.140 1.00 0.87 H new ATOM 0 HE ARG A 11 2.756 11.026 2.621 1.00 0.97 H new ATOM 0 HH11 ARG A 11 5.751 12.310 1.304 1.00 1.87 H new ATOM 0 HH12 ARG A 11 5.006 13.757 0.617 1.00 1.87 H new ATOM 0 HH21 ARG A 11 1.736 12.920 1.641 1.00 1.87 H new ATOM 0 HH22 ARG A 11 2.748 14.101 0.803 1.00 1.87 H new ATOM 177 N ARG A 12 1.952 6.863 4.511 1.00 0.46 N ATOM 178 CA ARG A 12 1.920 6.621 5.952 1.00 0.52 C ATOM 179 C ARG A 12 1.979 5.124 6.268 1.00 0.55 C ATOM 180 O ARG A 12 2.601 4.713 7.242 1.00 0.65 O ATOM 181 CB ARG A 12 0.662 7.229 6.562 1.00 0.53 C ATOM 182 CG ARG A 12 0.587 8.738 6.458 1.00 1.03 C ATOM 183 CD ARG A 12 -0.755 9.240 6.934 1.00 1.16 C ATOM 184 NE ARG A 12 -0.856 10.698 6.898 1.00 1.72 N ATOM 185 CZ ARG A 12 -2.005 11.380 6.883 1.00 2.32 C ATOM 186 NH1 ARG A 12 -3.170 10.745 6.746 1.00 2.40 N ATOM 187 NH2 ARG A 12 -1.989 12.695 6.963 1.00 3.33 N ATOM 0 H ARG A 12 1.131 7.354 4.159 1.00 0.46 H new ATOM 0 HA ARG A 12 2.799 7.096 6.388 1.00 0.52 H new ATOM 0 HB2 ARG A 12 -0.211 6.799 6.071 1.00 0.53 H new ATOM 0 HB3 ARG A 12 0.608 6.946 7.613 1.00 0.53 H new ATOM 0 HG2 ARG A 12 1.381 9.188 7.053 1.00 1.03 H new ATOM 0 HG3 ARG A 12 0.750 9.045 5.425 1.00 1.03 H new ATOM 0 HD2 ARG A 12 -1.541 8.810 6.313 1.00 1.16 H new ATOM 0 HD3 ARG A 12 -0.928 8.893 7.953 1.00 1.16 H new ATOM 0 HE ARG A 12 0.012 11.233 6.883 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -3.189 9.730 6.651 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -4.042 11.275 6.736 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -1.101 13.191 7.036 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -2.865 13.217 6.952 1.00 3.33 H new ATOM 201 N ALA A 13 1.331 4.321 5.456 1.00 0.52 N ATOM 202 CA ALA A 13 1.338 2.883 5.640 1.00 0.58 C ATOM 203 C ALA A 13 2.700 2.296 5.275 1.00 0.59 C ATOM 204 O ALA A 13 3.209 1.410 5.964 1.00 0.67 O ATOM 205 CB ALA A 13 0.234 2.241 4.826 1.00 0.62 C ATOM 0 H ALA A 13 0.787 4.640 4.654 1.00 0.52 H new ATOM 0 HA ALA A 13 1.154 2.669 6.693 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.253 1.161 4.975 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.730 2.635 5.147 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.384 2.464 3.770 1.00 0.62 H new ATOM 211 N LEU A 14 3.293 2.823 4.210 1.00 0.56 N ATOM 212 CA LEU A 14 4.615 2.390 3.768 1.00 0.63 C ATOM 213 C LEU A 14 5.666 2.673 4.832 1.00 0.73 C ATOM 214 O LEU A 14 6.549 1.846 5.069 1.00 0.95 O ATOM 215 CB LEU A 14 5.004 3.050 2.441 1.00 0.64 C ATOM 216 CG LEU A 14 4.144 2.687 1.230 1.00 0.72 C ATOM 217 CD1 LEU A 14 4.618 3.435 0.010 1.00 1.05 C ATOM 218 CD2 LEU A 14 4.177 1.191 0.969 1.00 1.24 C ATOM 0 H LEU A 14 2.877 3.555 3.633 1.00 0.56 H new ATOM 0 HA LEU A 14 4.569 1.313 3.608 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.971 4.131 2.573 1.00 0.64 H new ATOM 0 HB3 LEU A 14 6.038 2.788 2.218 1.00 0.64 H new ATOM 0 HG LEU A 14 3.115 2.975 1.446 1.00 0.72 H new ATOM 0 HD11 LEU A 14 3.997 3.167 -0.845 1.00 1.05 H new ATOM 0 HD12 LEU A 14 4.545 4.508 0.190 1.00 1.05 H new ATOM 0 HD13 LEU A 14 5.655 3.172 -0.198 1.00 1.05 H new ATOM 0 HD21 LEU A 14 3.557 0.959 0.103 1.00 1.24 H new ATOM 0 HD22 LEU A 14 5.203 0.878 0.776 1.00 1.24 H new ATOM 0 HD23 LEU A 14 3.794 0.661 1.841 1.00 1.24 H new ATOM 230 N VAL A 15 5.548 3.839 5.486 1.00 0.69 N ATOM 231 CA VAL A 15 6.436 4.240 6.593 1.00 0.80 C ATOM 232 C VAL A 15 6.480 3.141 7.664 1.00 0.85 C ATOM 233 O VAL A 15 7.558 2.706 8.061 1.00 1.00 O ATOM 234 CB VAL A 15 5.969 5.591 7.238 1.00 0.85 C ATOM 235 CG1 VAL A 15 6.803 5.939 8.467 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.068 6.724 6.230 1.00 0.93 C ATOM 0 H VAL A 15 4.834 4.532 5.263 1.00 0.69 H new ATOM 0 HA VAL A 15 7.435 4.385 6.182 1.00 0.80 H new ATOM 0 HB VAL A 15 4.931 5.463 7.545 1.00 0.85 H new ATOM 0 HG11 VAL A 15 6.453 6.881 8.889 1.00 0.98 H new ATOM 0 HG12 VAL A 15 6.703 5.148 9.211 1.00 0.98 H new ATOM 0 HG13 VAL A 15 7.850 6.037 8.180 1.00 0.98 H new ATOM 0 HG21 VAL A 15 5.740 7.654 6.694 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.102 6.828 5.900 1.00 0.93 H new ATOM 0 HG23 VAL A 15 5.433 6.504 5.372 1.00 0.93 H new ATOM 246 N GLU A 16 5.302 2.676 8.077 1.00 0.83 N ATOM 247 CA GLU A 16 5.156 1.618 9.098 1.00 0.98 C ATOM 248 C GLU A 16 5.884 0.339 8.689 1.00 1.01 C ATOM 249 O GLU A 16 6.426 -0.388 9.529 1.00 1.21 O ATOM 250 CB GLU A 16 3.680 1.258 9.275 1.00 1.12 C ATOM 251 CG GLU A 16 2.789 2.392 9.708 1.00 1.25 C ATOM 252 CD GLU A 16 3.146 2.933 11.059 1.00 1.62 C ATOM 253 OE1 GLU A 16 3.041 2.194 12.046 1.00 1.93 O ATOM 254 OE2 GLU A 16 3.531 4.116 11.158 1.00 2.18 O ATOM 0 H GLU A 16 4.412 3.019 7.716 1.00 0.83 H new ATOM 0 HA GLU A 16 5.583 2.009 10.022 1.00 0.98 H new ATOM 0 HB2 GLU A 16 3.304 0.862 8.332 1.00 1.12 H new ATOM 0 HB3 GLU A 16 3.604 0.457 10.010 1.00 1.12 H new ATOM 0 HG2 GLU A 16 2.849 3.195 8.973 1.00 1.25 H new ATOM 0 HG3 GLU A 16 1.754 2.049 9.722 1.00 1.25 H new ATOM 261 N SER A 17 5.887 0.067 7.410 1.00 0.92 N ATOM 262 CA SER A 17 6.456 -1.147 6.916 1.00 1.03 C ATOM 263 C SER A 17 7.962 -0.996 6.636 1.00 1.14 C ATOM 264 O SER A 17 8.714 -1.981 6.632 1.00 1.40 O ATOM 265 CB SER A 17 5.702 -1.604 5.666 1.00 0.97 C ATOM 266 OG SER A 17 6.072 -2.919 5.325 1.00 1.65 O ATOM 0 H SER A 17 5.498 0.678 6.692 1.00 0.92 H new ATOM 0 HA SER A 17 6.353 -1.912 7.686 1.00 1.03 H new ATOM 0 HB2 SER A 17 4.628 -1.556 5.843 1.00 0.97 H new ATOM 0 HB3 SER A 17 5.919 -0.931 4.836 1.00 0.97 H new ATOM 0 HG SER A 17 5.940 -3.507 6.098 1.00 1.65 H new ATOM 272 N ALA A 18 8.408 0.207 6.416 1.00 1.07 N ATOM 273 CA ALA A 18 9.798 0.439 6.111 1.00 1.24 C ATOM 274 C ALA A 18 10.582 0.808 7.359 1.00 1.33 C ATOM 275 O ALA A 18 11.443 0.052 7.811 1.00 1.59 O ATOM 276 CB ALA A 18 9.938 1.520 5.049 1.00 1.29 C ATOM 0 H ALA A 18 7.831 1.048 6.441 1.00 1.07 H new ATOM 0 HA ALA A 18 10.215 -0.489 5.719 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.994 1.682 4.831 1.00 1.29 H new ATOM 0 HB2 ALA A 18 9.424 1.206 4.140 1.00 1.29 H new ATOM 0 HB3 ALA A 18 9.496 2.447 5.413 1.00 1.29 H new ATOM 282 N GLY A 19 10.226 1.914 7.945 1.00 1.34 N ATOM 283 CA GLY A 19 10.956 2.460 9.051 1.00 1.54 C ATOM 284 C GLY A 19 10.974 3.960 8.943 1.00 1.61 C ATOM 285 O GLY A 19 9.942 4.603 9.142 1.00 2.24 O ATOM 0 H GLY A 19 9.415 2.466 7.666 1.00 1.34 H new ATOM 0 HA2 GLY A 19 10.495 2.157 9.991 1.00 1.54 H new ATOM 0 HA3 GLY A 19 11.975 2.072 9.056 1.00 1.54 H new ATOM 289 N GLU A 20 12.104 4.511 8.560 1.00 1.53 N ATOM 290 CA GLU A 20 12.265 5.948 8.386 1.00 1.66 C ATOM 291 C GLU A 20 13.207 6.251 7.240 1.00 1.69 C ATOM 292 O GLU A 20 14.419 6.405 7.433 1.00 2.04 O ATOM 293 CB GLU A 20 12.736 6.684 9.657 1.00 2.11 C ATOM 294 CG GLU A 20 11.727 6.718 10.787 1.00 2.61 C ATOM 295 CD GLU A 20 12.151 7.627 11.901 1.00 3.24 C ATOM 296 OE1 GLU A 20 11.908 8.853 11.801 1.00 3.36 O ATOM 297 OE2 GLU A 20 12.714 7.141 12.902 1.00 3.97 O ATOM 0 H GLU A 20 12.948 3.975 8.357 1.00 1.53 H new ATOM 0 HA GLU A 20 11.268 6.325 8.158 1.00 1.66 H new ATOM 0 HB2 GLU A 20 13.648 6.208 10.018 1.00 2.11 H new ATOM 0 HB3 GLU A 20 12.996 7.709 9.391 1.00 2.11 H new ATOM 0 HG2 GLU A 20 10.762 7.047 10.400 1.00 2.61 H new ATOM 0 HG3 GLU A 20 11.587 5.710 11.177 1.00 2.61 H new ATOM 304 N THR A 21 12.654 6.279 6.038 1.00 1.88 N ATOM 305 CA THR A 21 13.391 6.605 4.826 1.00 2.20 C ATOM 306 C THR A 21 14.490 5.546 4.554 1.00 2.10 C ATOM 307 O THR A 21 15.606 5.851 4.130 1.00 2.75 O ATOM 308 CB THR A 21 13.972 8.050 4.912 1.00 2.92 C ATOM 309 OG1 THR A 21 12.945 8.908 5.459 1.00 3.25 O ATOM 310 CG2 THR A 21 14.336 8.579 3.522 1.00 3.47 C ATOM 0 H THR A 21 11.668 6.074 5.874 1.00 1.88 H new ATOM 0 HA THR A 21 12.707 6.582 3.978 1.00 2.20 H new ATOM 0 HB THR A 21 14.868 8.037 5.532 1.00 2.92 H new ATOM 0 HG1 THR A 21 13.286 9.824 5.526 1.00 3.25 H new ATOM 0 HG21 THR A 21 14.739 9.588 3.611 1.00 3.47 H new ATOM 0 HG22 THR A 21 15.084 7.928 3.069 1.00 3.47 H new ATOM 0 HG23 THR A 21 13.445 8.598 2.895 1.00 3.47 H new ATOM 318 N ASP A 22 14.121 4.287 4.759 1.00 1.66 N ATOM 319 CA ASP A 22 14.998 3.139 4.495 1.00 1.92 C ATOM 320 C ASP A 22 14.983 2.863 3.007 1.00 2.00 C ATOM 321 O ASP A 22 14.337 1.921 2.550 1.00 2.52 O ATOM 322 CB ASP A 22 14.506 1.872 5.239 1.00 2.44 C ATOM 323 CG ASP A 22 14.533 1.973 6.743 1.00 3.14 C ATOM 324 OD1 ASP A 22 13.812 2.827 7.308 1.00 3.81 O ATOM 325 OD2 ASP A 22 15.272 1.215 7.392 1.00 3.47 O ATOM 0 H ASP A 22 13.201 4.026 5.115 1.00 1.66 H new ATOM 0 HA ASP A 22 16.002 3.376 4.846 1.00 1.92 H new ATOM 0 HB2 ASP A 22 13.486 1.654 4.922 1.00 2.44 H new ATOM 0 HB3 ASP A 22 15.122 1.026 4.934 1.00 2.44 H new ATOM 330 N GLY A 23 15.562 3.786 2.244 1.00 1.96 N ATOM 331 CA GLY A 23 15.556 3.707 0.776 1.00 2.29 C ATOM 332 C GLY A 23 14.193 4.094 0.202 1.00 1.79 C ATOM 333 O GLY A 23 14.024 4.288 -1.004 1.00 2.14 O ATOM 0 H GLY A 23 16.045 4.604 2.615 1.00 1.96 H new ATOM 0 HA2 GLY A 23 16.323 4.367 0.372 1.00 2.29 H new ATOM 0 HA3 GLY A 23 15.810 2.694 0.464 1.00 2.29 H new ATOM 337 N THR A 24 13.257 4.235 1.084 1.00 1.42 N ATOM 338 CA THR A 24 11.905 4.501 0.783 1.00 1.57 C ATOM 339 C THR A 24 11.569 5.976 0.920 1.00 1.79 C ATOM 340 O THR A 24 11.248 6.455 2.015 1.00 2.50 O ATOM 341 CB THR A 24 11.037 3.670 1.737 1.00 2.00 C ATOM 342 OG1 THR A 24 11.684 3.592 3.030 1.00 2.76 O ATOM 343 CG2 THR A 24 10.828 2.280 1.201 1.00 2.01 C ATOM 0 H THR A 24 13.435 4.162 2.086 1.00 1.42 H new ATOM 0 HA THR A 24 11.712 4.231 -0.255 1.00 1.57 H new ATOM 0 HB THR A 24 10.065 4.155 1.832 1.00 2.00 H new ATOM 0 HG1 THR A 24 11.012 3.676 3.738 1.00 2.76 H new ATOM 0 HG21 THR A 24 10.210 1.711 1.896 1.00 2.01 H new ATOM 0 HG22 THR A 24 10.330 2.334 0.233 1.00 2.01 H new ATOM 0 HG23 THR A 24 11.793 1.786 1.086 1.00 2.01 H new ATOM 351 N ASP A 25 11.760 6.715 -0.140 1.00 1.60 N ATOM 352 CA ASP A 25 11.306 8.084 -0.159 1.00 1.91 C ATOM 353 C ASP A 25 10.011 8.155 -0.916 1.00 1.36 C ATOM 354 O ASP A 25 9.950 7.811 -2.099 1.00 1.34 O ATOM 355 CB ASP A 25 12.319 9.054 -0.743 1.00 2.62 C ATOM 356 CG ASP A 25 11.729 10.444 -0.837 1.00 3.27 C ATOM 357 OD1 ASP A 25 11.423 11.042 0.205 1.00 3.79 O ATOM 358 OD2 ASP A 25 11.583 10.971 -1.959 1.00 3.69 O ATOM 0 H ASP A 25 12.221 6.399 -0.993 1.00 1.60 H new ATOM 0 HA ASP A 25 11.165 8.395 0.876 1.00 1.91 H new ATOM 0 HB2 ASP A 25 13.213 9.074 -0.120 1.00 2.62 H new ATOM 0 HB3 ASP A 25 12.627 8.716 -1.732 1.00 2.62 H new ATOM 363 N LEU A 26 8.979 8.571 -0.241 1.00 1.18 N ATOM 364 CA LEU A 26 7.652 8.591 -0.809 1.00 0.83 C ATOM 365 C LEU A 26 7.131 10.028 -0.886 1.00 0.82 C ATOM 366 O LEU A 26 5.922 10.270 -0.895 1.00 0.85 O ATOM 367 CB LEU A 26 6.679 7.709 0.029 1.00 1.19 C ATOM 368 CG LEU A 26 7.005 6.194 0.198 1.00 0.80 C ATOM 369 CD1 LEU A 26 7.400 5.537 -1.115 1.00 0.94 C ATOM 370 CD2 LEU A 26 8.033 5.928 1.292 1.00 0.87 C ATOM 0 H LEU A 26 9.028 8.908 0.721 1.00 1.18 H new ATOM 0 HA LEU A 26 7.704 8.180 -1.817 1.00 0.83 H new ATOM 0 HB2 LEU A 26 6.610 8.146 1.025 1.00 1.19 H new ATOM 0 HB3 LEU A 26 5.690 7.787 -0.422 1.00 1.19 H new ATOM 0 HG LEU A 26 6.076 5.726 0.524 1.00 0.80 H new ATOM 0 HD11 LEU A 26 7.617 4.483 -0.943 1.00 0.94 H new ATOM 0 HD12 LEU A 26 6.581 5.627 -1.828 1.00 0.94 H new ATOM 0 HD13 LEU A 26 8.286 6.029 -1.516 1.00 0.94 H new ATOM 0 HD21 LEU A 26 8.220 4.856 1.363 1.00 0.87 H new ATOM 0 HD22 LEU A 26 8.963 6.443 1.050 1.00 0.87 H new ATOM 0 HD23 LEU A 26 7.653 6.294 2.246 1.00 0.87 H new ATOM 382 N SER A 27 8.045 10.967 -0.978 1.00 0.91 N ATOM 383 CA SER A 27 7.698 12.369 -1.021 1.00 0.99 C ATOM 384 C SER A 27 7.135 12.786 -2.382 1.00 1.04 C ATOM 385 O SER A 27 7.881 12.964 -3.350 1.00 1.44 O ATOM 386 CB SER A 27 8.902 13.198 -0.668 1.00 1.16 C ATOM 387 OG SER A 27 9.453 12.774 0.581 1.00 1.55 O ATOM 0 H SER A 27 9.047 10.781 -1.025 1.00 0.91 H new ATOM 0 HA SER A 27 6.909 12.541 -0.289 1.00 0.99 H new ATOM 0 HB2 SER A 27 9.654 13.110 -1.452 1.00 1.16 H new ATOM 0 HB3 SER A 27 8.622 14.250 -0.611 1.00 1.16 H new ATOM 0 HG SER A 27 10.122 12.075 0.423 1.00 1.55 H new ATOM 393 N GLY A 28 5.826 12.895 -2.458 1.00 1.36 N ATOM 394 CA GLY A 28 5.175 13.325 -3.667 1.00 1.53 C ATOM 395 C GLY A 28 4.361 12.213 -4.253 1.00 1.44 C ATOM 396 O GLY A 28 3.274 11.893 -3.756 1.00 2.11 O ATOM 0 H GLY A 28 5.191 12.689 -1.687 1.00 1.36 H new ATOM 0 HA2 GLY A 28 4.533 14.180 -3.456 1.00 1.53 H new ATOM 0 HA3 GLY A 28 5.921 13.657 -4.390 1.00 1.53 H new ATOM 400 N ASP A 29 4.871 11.609 -5.280 1.00 1.11 N ATOM 401 CA ASP A 29 4.222 10.485 -5.897 1.00 1.05 C ATOM 402 C ASP A 29 5.233 9.377 -6.052 1.00 0.88 C ATOM 403 O ASP A 29 6.412 9.629 -6.290 1.00 1.07 O ATOM 404 CB ASP A 29 3.556 10.841 -7.242 1.00 1.32 C ATOM 405 CG ASP A 29 4.527 11.179 -8.343 1.00 1.67 C ATOM 406 OD1 ASP A 29 4.996 12.332 -8.391 1.00 2.27 O ATOM 407 OD2 ASP A 29 4.860 10.305 -9.156 1.00 2.12 O ATOM 0 H ASP A 29 5.751 11.879 -5.719 1.00 1.11 H new ATOM 0 HA ASP A 29 3.407 10.156 -5.253 1.00 1.05 H new ATOM 0 HB2 ASP A 29 2.939 10.001 -7.562 1.00 1.32 H new ATOM 0 HB3 ASP A 29 2.887 11.688 -7.090 1.00 1.32 H new ATOM 412 N PHE A 30 4.787 8.173 -5.863 1.00 0.67 N ATOM 413 CA PHE A 30 5.660 7.012 -5.854 1.00 0.55 C ATOM 414 C PHE A 30 4.965 5.821 -6.495 1.00 0.42 C ATOM 415 O PHE A 30 5.258 4.679 -6.197 1.00 0.41 O ATOM 416 CB PHE A 30 6.038 6.703 -4.395 1.00 0.56 C ATOM 417 CG PHE A 30 4.858 6.665 -3.444 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.135 5.497 -3.271 1.00 0.52 C ATOM 419 CD2 PHE A 30 4.478 7.786 -2.732 1.00 0.68 C ATOM 420 CE1 PHE A 30 3.062 5.451 -2.413 1.00 0.60 C ATOM 421 CE2 PHE A 30 3.408 7.744 -1.870 1.00 0.74 C ATOM 422 CZ PHE A 30 2.706 6.616 -1.698 1.00 0.69 C ATOM 0 H PHE A 30 3.803 7.954 -5.709 1.00 0.67 H new ATOM 0 HA PHE A 30 6.561 7.217 -6.432 1.00 0.55 H new ATOM 0 HB2 PHE A 30 6.550 5.742 -4.360 1.00 0.56 H new ATOM 0 HB3 PHE A 30 6.747 7.455 -4.048 1.00 0.56 H new ATOM 0 HD1 PHE A 30 4.418 4.610 -3.818 1.00 0.52 H new ATOM 0 HD2 PHE A 30 5.028 8.707 -2.854 1.00 0.68 H new ATOM 0 HE1 PHE A 30 2.500 4.538 -2.287 1.00 0.60 H new ATOM 0 HE2 PHE A 30 3.129 8.633 -1.324 1.00 0.74 H new ATOM 0 HZ PHE A 30 1.870 6.597 -1.014 1.00 0.69 H new ATOM 432 N LEU A 31 4.104 6.102 -7.430 1.00 0.39 N ATOM 433 CA LEU A 31 3.269 5.079 -8.030 1.00 0.35 C ATOM 434 C LEU A 31 3.995 4.277 -9.096 1.00 0.38 C ATOM 435 O LEU A 31 3.764 3.081 -9.228 1.00 0.50 O ATOM 436 CB LEU A 31 1.978 5.669 -8.620 1.00 0.39 C ATOM 437 CG LEU A 31 0.861 6.104 -7.652 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.291 7.245 -6.737 1.00 1.17 C ATOM 439 CD2 LEU A 31 -0.373 6.492 -8.446 1.00 1.45 C ATOM 0 H LEU A 31 3.954 7.040 -7.803 1.00 0.39 H new ATOM 0 HA LEU A 31 3.010 4.400 -7.217 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.253 6.536 -9.220 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.557 4.930 -9.302 1.00 0.39 H new ATOM 0 HG LEU A 31 0.633 5.257 -7.005 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.466 7.512 -6.076 1.00 1.17 H new ATOM 0 HD12 LEU A 31 2.147 6.930 -6.140 1.00 1.17 H new ATOM 0 HD13 LEU A 31 1.567 8.110 -7.340 1.00 1.17 H new ATOM 0 HD21 LEU A 31 -1.164 6.800 -7.762 1.00 1.45 H new ATOM 0 HD22 LEU A 31 -0.130 7.317 -9.115 1.00 1.45 H new ATOM 0 HD23 LEU A 31 -0.712 5.638 -9.032 1.00 1.45 H new ATOM 451 N ASP A 32 4.892 4.923 -9.827 1.00 0.44 N ATOM 452 CA ASP A 32 5.582 4.264 -10.955 1.00 0.57 C ATOM 453 C ASP A 32 6.794 3.467 -10.492 1.00 0.48 C ATOM 454 O ASP A 32 7.507 2.851 -11.294 1.00 0.54 O ATOM 455 CB ASP A 32 5.953 5.250 -12.092 1.00 0.84 C ATOM 456 CG ASP A 32 6.977 6.303 -11.719 1.00 1.69 C ATOM 457 OD1 ASP A 32 6.591 7.345 -11.121 1.00 2.24 O ATOM 458 OD2 ASP A 32 8.170 6.143 -12.045 1.00 2.45 O ATOM 0 H ASP A 32 5.165 5.893 -9.671 1.00 0.44 H new ATOM 0 HA ASP A 32 4.865 3.559 -11.376 1.00 0.57 H new ATOM 0 HB2 ASP A 32 6.334 4.678 -12.938 1.00 0.84 H new ATOM 0 HB3 ASP A 32 5.045 5.751 -12.429 1.00 0.84 H new ATOM 463 N LEU A 33 7.004 3.460 -9.203 1.00 0.43 N ATOM 464 CA LEU A 33 8.046 2.660 -8.593 1.00 0.40 C ATOM 465 C LEU A 33 7.555 1.230 -8.498 1.00 0.33 C ATOM 466 O LEU A 33 6.389 0.964 -8.721 1.00 0.36 O ATOM 467 CB LEU A 33 8.321 3.148 -7.173 1.00 0.44 C ATOM 468 CG LEU A 33 8.768 4.601 -7.010 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.031 4.907 -5.546 1.00 0.67 C ATOM 470 CD2 LEU A 33 10.006 4.893 -7.844 1.00 0.71 C ATOM 0 H LEU A 33 6.458 4.009 -8.539 1.00 0.43 H new ATOM 0 HA LEU A 33 8.953 2.736 -9.193 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.415 3.005 -6.585 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.088 2.507 -6.738 1.00 0.44 H new ATOM 0 HG LEU A 33 7.965 5.245 -7.367 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.349 5.945 -5.443 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.119 4.748 -4.971 1.00 0.67 H new ATOM 0 HD13 LEU A 33 9.815 4.249 -5.172 1.00 0.67 H new ATOM 0 HD21 LEU A 33 10.300 5.934 -7.707 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.820 4.242 -7.527 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.786 4.713 -8.896 1.00 0.71 H new ATOM 482 N ARG A 34 8.416 0.325 -8.183 1.00 0.31 N ATOM 483 CA ARG A 34 8.010 -1.038 -7.935 1.00 0.32 C ATOM 484 C ARG A 34 8.319 -1.344 -6.495 1.00 0.36 C ATOM 485 O ARG A 34 9.189 -0.698 -5.893 1.00 0.48 O ATOM 486 CB ARG A 34 8.804 -2.013 -8.794 1.00 0.43 C ATOM 487 CG ARG A 34 8.703 -1.808 -10.285 1.00 0.59 C ATOM 488 CD ARG A 34 9.758 -2.640 -10.981 1.00 0.89 C ATOM 489 NE ARG A 34 11.107 -2.250 -10.533 1.00 1.94 N ATOM 490 CZ ARG A 34 12.238 -2.933 -10.748 1.00 2.65 C ATOM 491 NH1 ARG A 34 12.208 -4.131 -11.319 1.00 2.65 N ATOM 492 NH2 ARG A 34 13.393 -2.426 -10.344 1.00 3.76 N ATOM 0 H ARG A 34 9.417 0.495 -8.087 1.00 0.31 H new ATOM 0 HA ARG A 34 6.950 -1.144 -8.168 1.00 0.32 H new ATOM 0 HB2 ARG A 34 9.854 -1.948 -8.508 1.00 0.43 H new ATOM 0 HB3 ARG A 34 8.472 -3.025 -8.562 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.711 -2.092 -10.636 1.00 0.59 H new ATOM 0 HG3 ARG A 34 8.837 -0.754 -10.528 1.00 0.59 H new ATOM 0 HD2 ARG A 34 9.591 -3.697 -10.772 1.00 0.89 H new ATOM 0 HD3 ARG A 34 9.676 -2.511 -12.060 1.00 0.89 H new ATOM 0 HE ARG A 34 11.186 -1.378 -10.010 1.00 1.94 H new ATOM 0 HH11 ARG A 34 11.317 -4.540 -11.599 1.00 2.65 H new ATOM 0 HH12 ARG A 34 13.076 -4.642 -11.478 1.00 2.65 H new ATOM 0 HH21 ARG A 34 13.416 -1.522 -9.873 1.00 3.76 H new ATOM 0 HH22 ARG A 34 14.259 -2.940 -10.504 1.00 3.76 H new ATOM 506 N PHE A 35 7.657 -2.317 -5.936 1.00 0.35 N ATOM 507 CA PHE A 35 7.966 -2.739 -4.595 1.00 0.41 C ATOM 508 C PHE A 35 9.321 -3.438 -4.544 1.00 0.48 C ATOM 509 O PHE A 35 9.973 -3.464 -3.497 1.00 0.54 O ATOM 510 CB PHE A 35 6.845 -3.570 -3.980 1.00 0.41 C ATOM 511 CG PHE A 35 5.652 -2.738 -3.594 1.00 0.39 C ATOM 512 CD1 PHE A 35 5.748 -1.744 -2.645 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.421 -2.966 -4.193 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.643 -0.990 -2.300 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.314 -2.217 -3.852 1.00 0.46 C ATOM 516 CZ PHE A 35 3.474 -1.180 -2.858 1.00 0.46 C ATOM 0 H PHE A 35 6.901 -2.834 -6.385 1.00 0.35 H new ATOM 0 HA PHE A 35 8.043 -1.847 -3.973 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.534 -4.336 -4.690 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.223 -4.087 -3.098 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.697 -1.552 -2.166 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.328 -3.742 -4.938 1.00 0.42 H new ATOM 0 HE1 PHE A 35 4.746 -0.222 -1.548 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.355 -2.400 -4.314 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.633 -0.564 -2.577 1.00 0.46 H new ATOM 526 N GLU A 36 9.757 -3.973 -5.691 1.00 0.56 N ATOM 527 CA GLU A 36 11.101 -4.535 -5.824 1.00 0.70 C ATOM 528 C GLU A 36 12.150 -3.440 -5.586 1.00 0.69 C ATOM 529 O GLU A 36 13.190 -3.681 -4.979 1.00 0.80 O ATOM 530 CB GLU A 36 11.323 -5.132 -7.225 1.00 0.88 C ATOM 531 CG GLU A 36 10.378 -6.260 -7.602 1.00 1.65 C ATOM 532 CD GLU A 36 10.694 -6.859 -8.958 1.00 2.01 C ATOM 533 OE1 GLU A 36 10.376 -6.244 -9.990 1.00 2.71 O ATOM 534 OE2 GLU A 36 11.242 -7.975 -9.010 1.00 2.26 O ATOM 0 H GLU A 36 9.195 -4.027 -6.540 1.00 0.56 H new ATOM 0 HA GLU A 36 11.203 -5.327 -5.082 1.00 0.70 H new ATOM 0 HB2 GLU A 36 11.225 -4.335 -7.962 1.00 0.88 H new ATOM 0 HB3 GLU A 36 12.347 -5.500 -7.288 1.00 0.88 H new ATOM 0 HG2 GLU A 36 10.430 -7.041 -6.843 1.00 1.65 H new ATOM 0 HG3 GLU A 36 9.354 -5.885 -7.604 1.00 1.65 H new ATOM 541 N ASP A 37 11.846 -2.227 -6.043 1.00 0.67 N ATOM 542 CA ASP A 37 12.768 -1.088 -5.936 1.00 0.76 C ATOM 543 C ASP A 37 12.915 -0.639 -4.513 1.00 0.72 C ATOM 544 O ASP A 37 14.019 -0.400 -4.033 1.00 0.87 O ATOM 545 CB ASP A 37 12.297 0.120 -6.756 1.00 0.88 C ATOM 546 CG ASP A 37 12.282 -0.102 -8.235 1.00 1.13 C ATOM 547 OD1 ASP A 37 13.353 -0.205 -8.856 1.00 1.43 O ATOM 548 OD2 ASP A 37 11.208 -0.173 -8.811 1.00 1.61 O ATOM 0 H ASP A 37 10.960 -2.002 -6.496 1.00 0.67 H new ATOM 0 HA ASP A 37 13.722 -1.443 -6.326 1.00 0.76 H new ATOM 0 HB2 ASP A 37 11.293 0.394 -6.432 1.00 0.88 H new ATOM 0 HB3 ASP A 37 12.945 0.968 -6.535 1.00 0.88 H new ATOM 553 N ILE A 38 11.800 -0.533 -3.833 1.00 0.59 N ATOM 554 CA ILE A 38 11.792 -0.022 -2.478 1.00 0.62 C ATOM 555 C ILE A 38 11.929 -1.091 -1.391 1.00 0.60 C ATOM 556 O ILE A 38 11.786 -0.808 -0.200 1.00 0.66 O ATOM 557 CB ILE A 38 10.615 0.939 -2.216 1.00 0.61 C ATOM 558 CG1 ILE A 38 9.285 0.330 -2.701 1.00 0.52 C ATOM 559 CG2 ILE A 38 10.886 2.278 -2.884 1.00 0.70 C ATOM 560 CD1 ILE A 38 8.071 1.220 -2.482 1.00 0.57 C ATOM 0 H ILE A 38 10.882 -0.794 -4.194 1.00 0.59 H new ATOM 0 HA ILE A 38 12.708 0.564 -2.402 1.00 0.62 H new ATOM 0 HB ILE A 38 10.524 1.099 -1.142 1.00 0.61 H new ATOM 0 HG12 ILE A 38 9.369 0.105 -3.764 1.00 0.52 H new ATOM 0 HG13 ILE A 38 9.124 -0.617 -2.186 1.00 0.52 H new ATOM 0 HG21 ILE A 38 10.052 2.954 -2.696 1.00 0.70 H new ATOM 0 HG22 ILE A 38 11.801 2.709 -2.477 1.00 0.70 H new ATOM 0 HG23 ILE A 38 11.000 2.132 -3.958 1.00 0.70 H new ATOM 0 HD11 ILE A 38 7.178 0.715 -2.851 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.957 1.425 -1.418 1.00 0.57 H new ATOM 0 HD13 ILE A 38 8.206 2.158 -3.020 1.00 0.57 H new ATOM 572 N GLY A 39 12.257 -2.298 -1.809 1.00 0.57 N ATOM 573 CA GLY A 39 12.576 -3.366 -0.874 1.00 0.58 C ATOM 574 C GLY A 39 11.378 -3.904 -0.126 1.00 0.50 C ATOM 575 O GLY A 39 11.387 -3.990 1.109 1.00 0.57 O ATOM 0 H GLY A 39 12.310 -2.567 -2.792 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.049 -4.183 -1.419 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.307 -2.998 -0.154 1.00 0.58 H new ATOM 579 N TYR A 40 10.350 -4.237 -0.843 1.00 0.43 N ATOM 580 CA TYR A 40 9.159 -4.796 -0.251 1.00 0.41 C ATOM 581 C TYR A 40 8.910 -6.201 -0.747 1.00 0.45 C ATOM 582 O TYR A 40 9.385 -6.585 -1.816 1.00 0.67 O ATOM 583 CB TYR A 40 7.940 -3.932 -0.561 1.00 0.44 C ATOM 584 CG TYR A 40 7.799 -2.677 0.262 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.622 -1.599 0.061 1.00 0.66 C ATOM 586 CD2 TYR A 40 6.816 -2.575 1.230 1.00 0.61 C ATOM 587 CE1 TYR A 40 8.485 -0.451 0.798 1.00 0.88 C ATOM 588 CE2 TYR A 40 6.668 -1.430 1.977 1.00 0.86 C ATOM 589 CZ TYR A 40 7.514 -0.364 1.754 1.00 0.98 C ATOM 590 OH TYR A 40 7.390 0.795 2.480 1.00 1.26 O ATOM 0 H TYR A 40 10.306 -4.132 -1.857 1.00 0.43 H new ATOM 0 HA TYR A 40 9.317 -4.823 0.827 1.00 0.41 H new ATOM 0 HB2 TYR A 40 7.975 -3.652 -1.614 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.044 -4.537 -0.422 1.00 0.44 H new ATOM 0 HD1 TYR A 40 9.393 -1.655 -0.693 1.00 0.66 H new ATOM 0 HD2 TYR A 40 6.153 -3.410 1.402 1.00 0.61 H new ATOM 0 HE1 TYR A 40 9.146 0.385 0.622 1.00 0.88 H new ATOM 0 HE2 TYR A 40 5.897 -1.366 2.731 1.00 0.86 H new ATOM 0 HH TYR A 40 7.043 0.586 3.372 1.00 1.26 H new ATOM 600 N ASP A 41 8.196 -6.952 0.055 1.00 0.48 N ATOM 601 CA ASP A 41 7.713 -8.283 -0.280 1.00 0.59 C ATOM 602 C ASP A 41 6.283 -8.346 0.156 1.00 0.45 C ATOM 603 O ASP A 41 5.760 -7.349 0.679 1.00 0.39 O ATOM 604 CB ASP A 41 8.492 -9.427 0.406 1.00 0.85 C ATOM 605 CG ASP A 41 9.849 -9.724 -0.186 1.00 1.50 C ATOM 606 OD1 ASP A 41 9.908 -10.261 -1.313 1.00 2.11 O ATOM 607 OD2 ASP A 41 10.880 -9.389 0.429 1.00 2.01 O ATOM 0 H ASP A 41 7.923 -6.651 0.990 1.00 0.48 H new ATOM 0 HA ASP A 41 7.846 -8.430 -1.352 1.00 0.59 H new ATOM 0 HB2 ASP A 41 8.619 -9.178 1.460 1.00 0.85 H new ATOM 0 HB3 ASP A 41 7.888 -10.333 0.363 1.00 0.85 H new ATOM 612 N SER A 42 5.669 -9.485 -0.004 1.00 0.45 N ATOM 613 CA SER A 42 4.283 -9.688 0.324 1.00 0.41 C ATOM 614 C SER A 42 3.921 -9.342 1.777 1.00 0.33 C ATOM 615 O SER A 42 2.931 -8.664 1.999 1.00 0.30 O ATOM 616 CB SER A 42 3.906 -11.094 -0.036 1.00 0.50 C ATOM 617 OG SER A 42 5.034 -11.961 0.254 1.00 0.71 O ATOM 0 H SER A 42 6.127 -10.318 -0.374 1.00 0.45 H new ATOM 0 HA SER A 42 3.696 -8.983 -0.265 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.030 -11.409 0.532 1.00 0.50 H new ATOM 0 HB3 SER A 42 3.641 -11.157 -1.091 1.00 0.50 H new ATOM 0 HG SER A 42 4.803 -12.886 0.026 1.00 0.71 H new ATOM 622 N LEU A 43 4.727 -9.778 2.755 1.00 0.35 N ATOM 623 CA LEU A 43 4.449 -9.477 4.174 1.00 0.37 C ATOM 624 C LEU A 43 4.434 -7.981 4.416 1.00 0.33 C ATOM 625 O LEU A 43 3.550 -7.468 5.093 1.00 0.38 O ATOM 626 CB LEU A 43 5.444 -10.199 5.111 1.00 0.49 C ATOM 627 CG LEU A 43 5.242 -10.052 6.638 1.00 0.63 C ATOM 628 CD1 LEU A 43 5.867 -11.238 7.326 1.00 1.02 C ATOM 629 CD2 LEU A 43 5.911 -8.784 7.170 1.00 1.03 C ATOM 0 H LEU A 43 5.568 -10.334 2.597 1.00 0.35 H new ATOM 0 HA LEU A 43 3.456 -9.859 4.409 1.00 0.37 H new ATOM 0 HB2 LEU A 43 5.417 -11.262 4.871 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.446 -9.844 4.871 1.00 0.49 H new ATOM 0 HG LEU A 43 4.172 -9.994 6.837 1.00 0.63 H new ATOM 0 HD11 LEU A 43 5.731 -11.147 8.404 1.00 1.02 H new ATOM 0 HD12 LEU A 43 5.390 -12.154 6.977 1.00 1.02 H new ATOM 0 HD13 LEU A 43 6.932 -11.273 7.096 1.00 1.02 H new ATOM 0 HD21 LEU A 43 5.750 -8.711 8.246 1.00 1.03 H new ATOM 0 HD22 LEU A 43 6.981 -8.824 6.965 1.00 1.03 H new ATOM 0 HD23 LEU A 43 5.480 -7.912 6.679 1.00 1.03 H new ATOM 641 N ALA A 44 5.400 -7.292 3.842 1.00 0.33 N ATOM 642 CA ALA A 44 5.490 -5.845 3.934 1.00 0.37 C ATOM 643 C ALA A 44 4.244 -5.197 3.339 1.00 0.31 C ATOM 644 O ALA A 44 3.745 -4.193 3.836 1.00 0.35 O ATOM 645 CB ALA A 44 6.736 -5.356 3.217 1.00 0.46 C ATOM 0 H ALA A 44 6.148 -7.720 3.296 1.00 0.33 H new ATOM 0 HA ALA A 44 5.556 -5.562 4.985 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.796 -4.270 3.291 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.619 -5.800 3.677 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.689 -5.646 2.167 1.00 0.46 H new ATOM 651 N LEU A 45 3.730 -5.803 2.298 1.00 0.26 N ATOM 652 CA LEU A 45 2.538 -5.315 1.641 1.00 0.25 C ATOM 653 C LEU A 45 1.305 -5.551 2.497 1.00 0.28 C ATOM 654 O LEU A 45 0.403 -4.724 2.523 1.00 0.29 O ATOM 655 CB LEU A 45 2.403 -5.942 0.264 1.00 0.28 C ATOM 656 CG LEU A 45 3.582 -5.662 -0.655 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.399 -6.307 -2.002 1.00 0.39 C ATOM 658 CD2 LEU A 45 3.791 -4.175 -0.796 1.00 0.40 C ATOM 0 H LEU A 45 4.123 -6.647 1.881 1.00 0.26 H new ATOM 0 HA LEU A 45 2.628 -4.237 1.509 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.289 -7.020 0.375 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.492 -5.572 -0.206 1.00 0.28 H new ATOM 0 HG LEU A 45 4.472 -6.100 -0.204 1.00 0.34 H new ATOM 0 HD11 LEU A 45 4.261 -6.085 -2.632 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.307 -7.386 -1.879 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.496 -5.917 -2.472 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.638 -3.988 -1.456 1.00 0.40 H new ATOM 0 HD22 LEU A 45 2.895 -3.720 -1.217 1.00 0.40 H new ATOM 0 HD23 LEU A 45 3.992 -3.741 0.184 1.00 0.40 H new ATOM 670 N MET A 46 1.294 -6.665 3.221 1.00 0.34 N ATOM 671 CA MET A 46 0.206 -6.977 4.158 1.00 0.44 C ATOM 672 C MET A 46 0.244 -5.941 5.261 1.00 0.40 C ATOM 673 O MET A 46 -0.755 -5.341 5.599 1.00 0.45 O ATOM 674 CB MET A 46 0.410 -8.353 4.816 1.00 0.71 C ATOM 675 CG MET A 46 0.744 -9.482 3.874 1.00 0.38 C ATOM 676 SD MET A 46 -0.538 -9.876 2.695 1.00 1.64 S ATOM 677 CE MET A 46 0.342 -11.090 1.722 1.00 2.26 C ATOM 0 H MET A 46 2.027 -7.373 3.181 1.00 0.34 H new ATOM 0 HA MET A 46 -0.738 -6.980 3.613 1.00 0.44 H new ATOM 0 HB2 MET A 46 1.210 -8.269 5.552 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.498 -8.614 5.360 1.00 0.71 H new ATOM 0 HG2 MET A 46 1.653 -9.226 3.330 1.00 0.38 H new ATOM 0 HG3 MET A 46 0.965 -10.373 4.461 1.00 0.38 H new ATOM 0 HE1 MET A 46 0.067 -10.984 0.673 1.00 2.26 H new ATOM 0 HE2 MET A 46 1.415 -10.936 1.833 1.00 2.26 H new ATOM 0 HE3 MET A 46 0.081 -12.091 2.066 1.00 2.26 H new ATOM 687 N GLU A 47 1.452 -5.725 5.770 1.00 0.40 N ATOM 688 CA GLU A 47 1.748 -4.785 6.838 1.00 0.46 C ATOM 689 C GLU A 47 1.306 -3.359 6.442 1.00 0.43 C ATOM 690 O GLU A 47 0.725 -2.624 7.243 1.00 0.53 O ATOM 691 CB GLU A 47 3.258 -4.872 7.125 1.00 0.54 C ATOM 692 CG GLU A 47 3.767 -4.023 8.258 1.00 1.22 C ATOM 693 CD GLU A 47 5.218 -4.313 8.582 1.00 1.77 C ATOM 694 OE1 GLU A 47 6.102 -4.067 7.739 1.00 2.22 O ATOM 695 OE2 GLU A 47 5.499 -4.804 9.693 1.00 2.46 O ATOM 0 H GLU A 47 2.280 -6.219 5.436 1.00 0.40 H new ATOM 0 HA GLU A 47 1.195 -5.033 7.744 1.00 0.46 H new ATOM 0 HB2 GLU A 47 3.508 -5.912 7.337 1.00 0.54 H new ATOM 0 HB3 GLU A 47 3.796 -4.593 6.219 1.00 0.54 H new ATOM 0 HG2 GLU A 47 3.658 -2.970 7.998 1.00 1.22 H new ATOM 0 HG3 GLU A 47 3.156 -4.198 9.144 1.00 1.22 H new ATOM 702 N THR A 48 1.565 -3.009 5.200 1.00 0.33 N ATOM 703 CA THR A 48 1.138 -1.748 4.621 1.00 0.33 C ATOM 704 C THR A 48 -0.409 -1.707 4.535 1.00 0.31 C ATOM 705 O THR A 48 -1.053 -0.809 5.114 1.00 0.36 O ATOM 706 CB THR A 48 1.750 -1.617 3.199 1.00 0.32 C ATOM 707 OG1 THR A 48 3.186 -1.610 3.285 1.00 0.37 O ATOM 708 CG2 THR A 48 1.269 -0.358 2.486 1.00 0.38 C ATOM 0 H THR A 48 2.086 -3.600 4.552 1.00 0.33 H new ATOM 0 HA THR A 48 1.476 -0.921 5.245 1.00 0.33 H new ATOM 0 HB THR A 48 1.418 -2.475 2.615 1.00 0.32 H new ATOM 0 HG1 THR A 48 3.506 -2.514 3.487 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.721 -0.306 1.496 1.00 0.38 H new ATOM 0 HG22 THR A 48 0.184 -0.387 2.389 1.00 0.38 H new ATOM 0 HG23 THR A 48 1.558 0.520 3.064 1.00 0.38 H new ATOM 716 N ALA A 49 -0.989 -2.692 3.832 1.00 0.29 N ATOM 717 CA ALA A 49 -2.412 -2.765 3.593 1.00 0.31 C ATOM 718 C ALA A 49 -3.187 -2.738 4.881 1.00 0.29 C ATOM 719 O ALA A 49 -4.134 -2.000 4.984 1.00 0.27 O ATOM 720 CB ALA A 49 -2.761 -4.007 2.788 1.00 0.35 C ATOM 0 H ALA A 49 -0.465 -3.461 3.415 1.00 0.29 H new ATOM 0 HA ALA A 49 -2.694 -1.886 3.014 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -3.837 -4.041 2.620 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.245 -3.976 1.828 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.451 -4.896 3.338 1.00 0.35 H new ATOM 726 N ALA A 50 -2.722 -3.487 5.872 1.00 0.33 N ATOM 727 CA ALA A 50 -3.368 -3.619 7.183 1.00 0.37 C ATOM 728 C ALA A 50 -3.721 -2.271 7.806 1.00 0.33 C ATOM 729 O ALA A 50 -4.818 -2.101 8.371 1.00 0.34 O ATOM 730 CB ALA A 50 -2.474 -4.403 8.124 1.00 0.47 C ATOM 0 H ALA A 50 -1.865 -4.035 5.791 1.00 0.33 H new ATOM 0 HA ALA A 50 -4.304 -4.154 7.024 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -2.961 -4.496 9.095 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -2.293 -5.396 7.712 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -1.524 -3.881 8.243 1.00 0.47 H new ATOM 736 N ARG A 51 -2.823 -1.307 7.677 1.00 0.34 N ATOM 737 CA ARG A 51 -3.040 -0.003 8.257 1.00 0.36 C ATOM 738 C ARG A 51 -4.130 0.739 7.474 1.00 0.33 C ATOM 739 O ARG A 51 -5.004 1.404 8.054 1.00 0.42 O ATOM 740 CB ARG A 51 -1.739 0.814 8.284 1.00 0.44 C ATOM 741 CG ARG A 51 -1.870 2.075 9.106 1.00 0.54 C ATOM 742 CD ARG A 51 -0.601 2.900 9.157 1.00 0.88 C ATOM 743 NE ARG A 51 -0.764 4.012 10.115 1.00 1.06 N ATOM 744 CZ ARG A 51 0.043 5.059 10.305 1.00 1.91 C ATOM 745 NH1 ARG A 51 1.100 5.265 9.534 1.00 2.92 N ATOM 746 NH2 ARG A 51 -0.224 5.908 11.282 1.00 2.00 N ATOM 0 H ARG A 51 -1.940 -1.408 7.176 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.370 -0.132 9.288 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.935 0.200 8.691 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.456 1.075 7.264 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -2.674 2.685 8.694 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -2.161 1.808 10.122 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.240 2.273 9.454 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -0.372 3.292 8.166 1.00 0.88 H new ATOM 0 HE ARG A 51 -1.596 3.976 10.704 1.00 1.06 H new ATOM 0 HH11 ARG A 51 1.312 4.617 8.776 1.00 2.92 H new ATOM 0 HH12 ARG A 51 1.702 6.072 9.699 1.00 2.92 H new ATOM 0 HH21 ARG A 51 -1.037 5.759 11.879 1.00 2.00 H new ATOM 0 HH22 ARG A 51 0.383 6.712 11.439 1.00 2.00 H new ATOM 760 N LEU A 52 -4.106 0.569 6.169 1.00 0.28 N ATOM 761 CA LEU A 52 -5.061 1.208 5.284 1.00 0.30 C ATOM 762 C LEU A 52 -6.427 0.547 5.386 1.00 0.30 C ATOM 763 O LEU A 52 -7.443 1.232 5.429 1.00 0.37 O ATOM 764 CB LEU A 52 -4.548 1.208 3.845 1.00 0.31 C ATOM 765 CG LEU A 52 -3.264 2.004 3.627 1.00 0.35 C ATOM 766 CD1 LEU A 52 -2.811 1.923 2.187 1.00 0.41 C ATOM 767 CD2 LEU A 52 -3.478 3.448 4.029 1.00 0.40 C ATOM 0 H LEU A 52 -3.423 -0.017 5.689 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.175 2.246 5.598 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -4.378 0.177 3.534 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -5.325 1.613 3.196 1.00 0.31 H new ATOM 0 HG LEU A 52 -2.482 1.570 4.250 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -1.894 2.499 2.061 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -2.625 0.882 1.922 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -3.587 2.329 1.538 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -2.558 4.010 3.871 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.275 3.880 3.424 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -3.755 3.495 5.082 1.00 0.40 H new ATOM 779 N GLU A 53 -6.435 -0.778 5.454 1.00 0.27 N ATOM 780 CA GLU A 53 -7.642 -1.567 5.632 1.00 0.30 C ATOM 781 C GLU A 53 -8.382 -1.096 6.868 1.00 0.33 C ATOM 782 O GLU A 53 -9.595 -0.860 6.835 1.00 0.35 O ATOM 783 CB GLU A 53 -7.306 -3.052 5.803 1.00 0.33 C ATOM 784 CG GLU A 53 -6.623 -3.718 4.630 1.00 0.37 C ATOM 785 CD GLU A 53 -6.383 -5.176 4.904 1.00 0.58 C ATOM 786 OE1 GLU A 53 -5.307 -5.522 5.415 1.00 0.91 O ATOM 787 OE2 GLU A 53 -7.228 -6.012 4.557 1.00 0.71 O ATOM 0 H GLU A 53 -5.588 -1.342 5.386 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.262 -1.440 4.744 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -6.667 -3.161 6.679 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.230 -3.591 6.014 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.238 -3.609 3.737 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -5.674 -3.221 4.427 1.00 0.37 H new ATOM 794 N SER A 54 -7.631 -0.929 7.939 1.00 0.37 N ATOM 795 CA SER A 54 -8.151 -0.493 9.215 1.00 0.44 C ATOM 796 C SER A 54 -8.753 0.935 9.128 1.00 0.43 C ATOM 797 O SER A 54 -9.831 1.196 9.670 1.00 0.52 O ATOM 798 CB SER A 54 -7.026 -0.567 10.270 1.00 0.54 C ATOM 799 OG SER A 54 -7.478 -0.213 11.568 1.00 1.44 O ATOM 0 H SER A 54 -6.625 -1.096 7.944 1.00 0.37 H new ATOM 0 HA SER A 54 -8.964 -1.155 9.512 1.00 0.44 H new ATOM 0 HB2 SER A 54 -6.619 -1.578 10.293 1.00 0.54 H new ATOM 0 HB3 SER A 54 -6.213 0.097 9.978 1.00 0.54 H new ATOM 0 HG SER A 54 -6.733 -0.276 12.202 1.00 1.44 H new ATOM 805 N ARG A 55 -8.084 1.826 8.409 1.00 0.44 N ATOM 806 CA ARG A 55 -8.510 3.219 8.334 1.00 0.50 C ATOM 807 C ARG A 55 -9.619 3.453 7.301 1.00 0.50 C ATOM 808 O ARG A 55 -10.521 4.255 7.524 1.00 0.62 O ATOM 809 CB ARG A 55 -7.297 4.138 8.086 1.00 0.59 C ATOM 810 CG ARG A 55 -7.632 5.620 7.927 1.00 0.97 C ATOM 811 CD ARG A 55 -6.385 6.485 8.032 1.00 1.13 C ATOM 812 NE ARG A 55 -5.808 6.428 9.388 1.00 1.24 N ATOM 813 CZ ARG A 55 -4.652 6.998 9.775 1.00 1.64 C ATOM 814 NH1 ARG A 55 -3.855 7.594 8.891 1.00 1.93 N ATOM 815 NH2 ARG A 55 -4.276 6.945 11.045 1.00 2.25 N ATOM 0 H ARG A 55 -7.245 1.611 7.870 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.948 3.473 9.299 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -6.599 4.026 8.916 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -6.781 3.799 7.188 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -8.111 5.785 6.962 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -8.348 5.917 8.693 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -5.645 6.150 7.305 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -6.633 7.517 7.783 1.00 1.13 H new ATOM 0 HE ARG A 55 -6.331 5.911 10.095 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -4.118 7.623 7.906 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -2.982 8.022 9.199 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -4.863 6.471 11.731 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -3.399 7.378 11.336 1.00 2.25 H new ATOM 829 N TYR A 56 -9.571 2.750 6.201 1.00 0.42 N ATOM 830 CA TYR A 56 -10.534 2.957 5.133 1.00 0.44 C ATOM 831 C TYR A 56 -11.734 2.017 5.213 1.00 0.43 C ATOM 832 O TYR A 56 -12.645 2.103 4.395 1.00 0.52 O ATOM 833 CB TYR A 56 -9.856 2.871 3.777 1.00 0.44 C ATOM 834 CG TYR A 56 -8.957 4.048 3.460 1.00 0.49 C ATOM 835 CD1 TYR A 56 -7.621 4.074 3.846 1.00 0.48 C ATOM 836 CD2 TYR A 56 -9.450 5.124 2.747 1.00 0.62 C ATOM 837 CE1 TYR A 56 -6.808 5.145 3.517 1.00 0.55 C ATOM 838 CE2 TYR A 56 -8.652 6.190 2.422 1.00 0.71 C ATOM 839 CZ TYR A 56 -7.336 6.201 2.800 1.00 0.69 C ATOM 840 OH TYR A 56 -6.544 7.271 2.452 1.00 0.77 O ATOM 0 H TYR A 56 -8.877 2.026 6.013 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.933 3.963 5.263 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -9.266 1.955 3.735 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -10.621 2.793 3.004 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -7.213 3.248 4.410 1.00 0.48 H new ATOM 0 HD2 TYR A 56 -10.485 5.125 2.439 1.00 0.62 H new ATOM 0 HE1 TYR A 56 -5.771 5.155 3.818 1.00 0.55 H new ATOM 0 HE2 TYR A 56 -9.061 7.022 1.868 1.00 0.71 H new ATOM 0 HH TYR A 56 -7.053 8.102 2.555 1.00 0.77 H new ATOM 850 N GLY A 57 -11.730 1.131 6.195 1.00 0.38 N ATOM 851 CA GLY A 57 -12.857 0.230 6.397 1.00 0.41 C ATOM 852 C GLY A 57 -12.999 -0.794 5.290 1.00 0.39 C ATOM 853 O GLY A 57 -14.112 -1.094 4.836 1.00 0.51 O ATOM 0 H GLY A 57 -10.966 1.015 6.861 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -12.737 -0.286 7.349 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -13.775 0.814 6.465 1.00 0.41 H new ATOM 857 N VAL A 58 -11.885 -1.330 4.849 1.00 0.34 N ATOM 858 CA VAL A 58 -11.885 -2.322 3.794 1.00 0.36 C ATOM 859 C VAL A 58 -11.218 -3.591 4.273 1.00 0.39 C ATOM 860 O VAL A 58 -10.706 -3.635 5.393 1.00 0.42 O ATOM 861 CB VAL A 58 -11.194 -1.835 2.473 1.00 0.36 C ATOM 862 CG1 VAL A 58 -11.848 -0.584 1.955 1.00 0.41 C ATOM 863 CG2 VAL A 58 -9.707 -1.586 2.670 1.00 0.34 C ATOM 0 H VAL A 58 -10.959 -1.095 5.206 1.00 0.34 H new ATOM 0 HA VAL A 58 -12.932 -2.507 3.553 1.00 0.36 H new ATOM 0 HB VAL A 58 -11.313 -2.634 1.741 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -11.351 -0.266 1.038 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -12.900 -0.782 1.748 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -11.768 0.205 2.703 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -9.267 -1.250 1.731 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -9.564 -0.820 3.432 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.223 -2.509 2.988 1.00 0.34 H new ATOM 873 N SER A 59 -11.225 -4.589 3.448 1.00 0.43 N ATOM 874 CA SER A 59 -10.563 -5.828 3.706 1.00 0.49 C ATOM 875 C SER A 59 -9.962 -6.276 2.400 1.00 0.45 C ATOM 876 O SER A 59 -10.652 -6.310 1.376 1.00 0.56 O ATOM 877 CB SER A 59 -11.559 -6.872 4.226 1.00 0.67 C ATOM 878 OG SER A 59 -10.929 -8.119 4.520 1.00 1.48 O ATOM 0 H SER A 59 -11.706 -4.563 2.549 1.00 0.43 H new ATOM 0 HA SER A 59 -9.794 -5.709 4.469 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.045 -6.492 5.124 1.00 0.67 H new ATOM 0 HB3 SER A 59 -12.340 -7.028 3.482 1.00 0.67 H new ATOM 0 HG SER A 59 -11.599 -8.754 4.850 1.00 1.48 H new ATOM 884 N ILE A 60 -8.699 -6.532 2.407 1.00 0.39 N ATOM 885 CA ILE A 60 -8.011 -6.944 1.219 1.00 0.43 C ATOM 886 C ILE A 60 -7.634 -8.411 1.326 1.00 0.35 C ATOM 887 O ILE A 60 -7.090 -8.836 2.351 1.00 0.42 O ATOM 888 CB ILE A 60 -6.746 -6.074 0.986 1.00 0.58 C ATOM 889 CG1 ILE A 60 -7.153 -4.596 0.906 1.00 0.75 C ATOM 890 CG2 ILE A 60 -6.012 -6.501 -0.288 1.00 0.71 C ATOM 891 CD1 ILE A 60 -6.008 -3.643 0.721 1.00 1.01 C ATOM 0 H ILE A 60 -8.108 -6.463 3.235 1.00 0.39 H new ATOM 0 HA ILE A 60 -8.675 -6.809 0.365 1.00 0.43 H new ATOM 0 HB ILE A 60 -6.062 -6.215 1.823 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -7.852 -4.469 0.079 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -7.687 -4.330 1.818 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -5.130 -5.875 -0.427 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -5.707 -7.544 -0.200 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -6.676 -6.388 -1.145 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -6.388 -2.622 0.675 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -5.318 -3.736 1.560 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -5.485 -3.878 -0.206 1.00 1.01 H new ATOM 903 N PRO A 61 -7.970 -9.218 0.295 1.00 0.43 N ATOM 904 CA PRO A 61 -7.608 -10.632 0.246 1.00 0.50 C ATOM 905 C PRO A 61 -6.109 -10.807 0.438 1.00 0.46 C ATOM 906 O PRO A 61 -5.308 -10.187 -0.272 1.00 0.40 O ATOM 907 CB PRO A 61 -8.011 -11.057 -1.165 1.00 0.63 C ATOM 908 CG PRO A 61 -9.086 -10.109 -1.550 1.00 0.74 C ATOM 909 CD PRO A 61 -8.737 -8.805 -0.901 1.00 0.63 C ATOM 0 HA PRO A 61 -8.092 -11.219 1.026 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -7.167 -10.999 -1.852 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -8.366 -12.087 -1.182 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -9.143 -10.003 -2.633 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -10.060 -10.465 -1.213 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -8.144 -8.172 -1.561 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -9.628 -8.238 -0.632 1.00 0.63 H new ATOM 917 N ASP A 62 -5.749 -11.652 1.376 1.00 0.61 N ATOM 918 CA ASP A 62 -4.355 -11.888 1.783 1.00 0.72 C ATOM 919 C ASP A 62 -3.461 -12.257 0.614 1.00 0.66 C ATOM 920 O ASP A 62 -2.341 -11.799 0.520 1.00 0.67 O ATOM 921 CB ASP A 62 -4.266 -12.978 2.866 1.00 1.04 C ATOM 922 CG ASP A 62 -4.884 -12.569 4.191 1.00 1.22 C ATOM 923 OD1 ASP A 62 -6.122 -12.593 4.310 1.00 1.74 O ATOM 924 OD2 ASP A 62 -4.127 -12.194 5.133 1.00 1.73 O ATOM 0 H ASP A 62 -6.421 -12.214 1.898 1.00 0.61 H new ATOM 0 HA ASP A 62 -3.996 -10.944 2.193 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -4.763 -13.879 2.505 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -3.219 -13.234 3.027 1.00 1.04 H new ATOM 929 N ASP A 63 -3.961 -13.060 -0.288 1.00 0.68 N ATOM 930 CA ASP A 63 -3.162 -13.497 -1.443 1.00 0.73 C ATOM 931 C ASP A 63 -2.964 -12.358 -2.449 1.00 0.63 C ATOM 932 O ASP A 63 -1.936 -12.269 -3.119 1.00 0.78 O ATOM 933 CB ASP A 63 -3.832 -14.688 -2.121 1.00 0.92 C ATOM 934 CG ASP A 63 -3.039 -15.254 -3.285 1.00 1.41 C ATOM 935 OD1 ASP A 63 -2.060 -16.008 -3.041 1.00 1.81 O ATOM 936 OD2 ASP A 63 -3.417 -15.017 -4.452 1.00 2.17 O ATOM 0 H ASP A 63 -4.910 -13.432 -0.262 1.00 0.68 H new ATOM 0 HA ASP A 63 -2.179 -13.796 -1.079 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -3.988 -15.475 -1.383 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -4.817 -14.385 -2.477 1.00 0.92 H new ATOM 941 N VAL A 64 -3.931 -11.467 -2.500 1.00 0.48 N ATOM 942 CA VAL A 64 -3.922 -10.353 -3.437 1.00 0.44 C ATOM 943 C VAL A 64 -3.091 -9.179 -2.892 1.00 0.38 C ATOM 944 O VAL A 64 -2.398 -8.491 -3.650 1.00 0.41 O ATOM 945 CB VAL A 64 -5.377 -9.892 -3.757 1.00 0.50 C ATOM 946 CG1 VAL A 64 -5.400 -8.696 -4.699 1.00 0.57 C ATOM 947 CG2 VAL A 64 -6.168 -11.043 -4.359 1.00 0.58 C ATOM 0 H VAL A 64 -4.750 -11.491 -1.893 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.457 -10.695 -4.361 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.838 -9.583 -2.819 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.433 -8.408 -4.896 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.871 -7.861 -4.240 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -4.913 -8.962 -5.637 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -7.183 -10.711 -4.579 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.687 -11.373 -5.279 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -6.202 -11.871 -3.651 1.00 0.58 H new ATOM 957 N ALA A 65 -3.138 -8.990 -1.577 1.00 0.36 N ATOM 958 CA ALA A 65 -2.424 -7.899 -0.897 1.00 0.36 C ATOM 959 C ALA A 65 -0.930 -7.930 -1.180 1.00 0.38 C ATOM 960 O ALA A 65 -0.311 -6.900 -1.398 1.00 0.46 O ATOM 961 CB ALA A 65 -2.665 -7.966 0.600 1.00 0.42 C ATOM 0 H ALA A 65 -3.672 -9.587 -0.946 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.817 -6.961 -1.290 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.131 -7.153 1.091 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.732 -7.873 0.801 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -2.305 -8.921 0.984 1.00 0.42 H new ATOM 967 N GLY A 66 -0.369 -9.117 -1.219 1.00 0.39 N ATOM 968 CA GLY A 66 1.046 -9.248 -1.460 1.00 0.46 C ATOM 969 C GLY A 66 1.364 -9.544 -2.904 1.00 0.48 C ATOM 970 O GLY A 66 2.455 -10.013 -3.216 1.00 0.77 O ATOM 0 H GLY A 66 -0.867 -9.997 -1.088 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.548 -8.327 -1.163 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.445 -10.045 -0.833 1.00 0.46 H new ATOM 974 N ARG A 67 0.423 -9.272 -3.789 1.00 0.36 N ATOM 975 CA ARG A 67 0.599 -9.559 -5.188 1.00 0.41 C ATOM 976 C ARG A 67 0.779 -8.251 -5.970 1.00 0.37 C ATOM 977 O ARG A 67 1.045 -8.262 -7.169 1.00 0.47 O ATOM 978 CB ARG A 67 -0.642 -10.283 -5.684 1.00 0.55 C ATOM 979 CG ARG A 67 -0.536 -10.879 -7.066 1.00 1.14 C ATOM 980 CD ARG A 67 -1.901 -11.289 -7.553 1.00 1.95 C ATOM 981 NE ARG A 67 -2.774 -10.116 -7.677 1.00 2.92 N ATOM 982 CZ ARG A 67 -4.096 -10.143 -7.865 1.00 4.03 C ATOM 983 NH1 ARG A 67 -4.789 -11.265 -7.715 1.00 4.35 N ATOM 984 NH2 ARG A 67 -4.735 -9.022 -8.134 1.00 5.04 N ATOM 0 H ARG A 67 -0.475 -8.849 -3.555 1.00 0.36 H new ATOM 0 HA ARG A 67 1.484 -10.179 -5.335 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -0.882 -11.080 -4.981 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -1.479 -9.584 -5.671 1.00 0.55 H new ATOM 0 HG2 ARG A 67 -0.098 -10.154 -7.752 1.00 1.14 H new ATOM 0 HG3 ARG A 67 0.128 -11.743 -7.049 1.00 1.14 H new ATOM 0 HD2 ARG A 67 -1.815 -11.790 -8.517 1.00 1.95 H new ATOM 0 HD3 ARG A 67 -2.341 -12.006 -6.860 1.00 1.95 H new ATOM 0 HE ARG A 67 -2.332 -9.199 -7.614 1.00 2.92 H new ATOM 0 HH11 ARG A 67 -4.312 -12.127 -7.452 1.00 4.35 H new ATOM 0 HH12 ARG A 67 -5.798 -11.265 -7.863 1.00 4.35 H new ATOM 0 HH21 ARG A 67 -4.220 -8.144 -8.197 1.00 5.04 H new ATOM 0 HH22 ARG A 67 -5.745 -9.033 -8.279 1.00 5.04 H new ATOM 998 N VAL A 68 0.622 -7.129 -5.291 1.00 0.37 N ATOM 999 CA VAL A 68 0.716 -5.820 -5.937 1.00 0.38 C ATOM 1000 C VAL A 68 2.158 -5.493 -6.360 1.00 0.42 C ATOM 1001 O VAL A 68 3.089 -5.543 -5.558 1.00 0.75 O ATOM 1002 CB VAL A 68 0.110 -4.686 -5.061 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.389 -4.876 -4.932 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.741 -4.641 -3.681 1.00 0.43 C ATOM 0 H VAL A 68 0.428 -7.092 -4.290 1.00 0.37 H new ATOM 0 HA VAL A 68 0.114 -5.878 -6.844 1.00 0.38 H new ATOM 0 HB VAL A 68 0.321 -3.738 -5.556 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.805 -4.078 -4.317 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.846 -4.848 -5.921 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.595 -5.839 -4.465 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.290 -3.836 -3.101 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.574 -5.591 -3.174 1.00 0.43 H new ATOM 0 HG23 VAL A 68 1.812 -4.464 -3.776 1.00 0.43 H new ATOM 1014 N ASP A 69 2.328 -5.247 -7.646 1.00 0.35 N ATOM 1015 CA ASP A 69 3.640 -4.945 -8.232 1.00 0.42 C ATOM 1016 C ASP A 69 4.134 -3.570 -7.851 1.00 0.33 C ATOM 1017 O ASP A 69 5.195 -3.420 -7.236 1.00 0.34 O ATOM 1018 CB ASP A 69 3.610 -5.047 -9.761 1.00 0.62 C ATOM 1019 CG ASP A 69 3.489 -6.451 -10.268 1.00 1.22 C ATOM 1020 OD1 ASP A 69 2.354 -6.926 -10.449 1.00 2.03 O ATOM 1021 OD2 ASP A 69 4.518 -7.121 -10.469 1.00 1.32 O ATOM 0 H ASP A 69 1.565 -5.249 -8.323 1.00 0.35 H new ATOM 0 HA ASP A 69 4.324 -5.691 -7.828 1.00 0.42 H new ATOM 0 HB2 ASP A 69 2.773 -4.460 -10.139 1.00 0.62 H new ATOM 0 HB3 ASP A 69 4.520 -4.602 -10.164 1.00 0.62 H new ATOM 1026 N THR A 70 3.396 -2.578 -8.230 1.00 0.30 N ATOM 1027 CA THR A 70 3.769 -1.221 -7.985 1.00 0.28 C ATOM 1028 C THR A 70 2.906 -0.643 -6.868 1.00 0.26 C ATOM 1029 O THR A 70 1.827 -1.187 -6.569 1.00 0.27 O ATOM 1030 CB THR A 70 3.554 -0.397 -9.274 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.196 -0.566 -9.719 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.503 -0.854 -10.376 1.00 0.35 C ATOM 0 H THR A 70 2.509 -2.686 -8.723 1.00 0.30 H new ATOM 0 HA THR A 70 4.817 -1.180 -7.688 1.00 0.28 H new ATOM 0 HB THR A 70 3.755 0.652 -9.056 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.130 -0.326 -10.667 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.332 -0.259 -11.273 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.534 -0.725 -10.045 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.323 -1.906 -10.598 1.00 0.35 H new ATOM 1040 N PRO A 71 3.363 0.436 -6.190 1.00 0.26 N ATOM 1041 CA PRO A 71 2.534 1.164 -5.231 1.00 0.26 C ATOM 1042 C PRO A 71 1.284 1.697 -5.920 1.00 0.24 C ATOM 1043 O PRO A 71 0.250 1.887 -5.288 1.00 0.25 O ATOM 1044 CB PRO A 71 3.435 2.305 -4.767 1.00 0.30 C ATOM 1045 CG PRO A 71 4.808 1.792 -4.988 1.00 0.32 C ATOM 1046 CD PRO A 71 4.727 0.982 -6.242 1.00 0.29 C ATOM 0 HA PRO A 71 2.187 0.546 -4.403 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.252 3.215 -5.338 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.264 2.547 -3.718 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.522 2.609 -5.093 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.141 1.184 -4.147 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.884 1.594 -7.130 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.478 0.192 -6.263 1.00 0.29 H new ATOM 1054 N ARG A 72 1.396 1.925 -7.233 1.00 0.24 N ATOM 1055 CA ARG A 72 0.249 2.284 -8.061 1.00 0.27 C ATOM 1056 C ARG A 72 -0.805 1.181 -7.991 1.00 0.23 C ATOM 1057 O ARG A 72 -1.976 1.457 -7.749 1.00 0.27 O ATOM 1058 CB ARG A 72 0.679 2.520 -9.508 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.460 2.835 -10.461 1.00 0.53 C ATOM 1060 CD ARG A 72 0.064 3.170 -11.840 1.00 0.72 C ATOM 1061 NE ARG A 72 0.800 4.448 -11.866 1.00 0.79 N ATOM 1062 CZ ARG A 72 1.772 4.752 -12.737 1.00 1.57 C ATOM 1063 NH1 ARG A 72 2.316 3.804 -13.488 1.00 2.55 N ATOM 1064 NH2 ARG A 72 2.247 5.994 -12.800 1.00 1.67 N ATOM 0 H ARG A 72 2.277 1.866 -7.744 1.00 0.24 H new ATOM 0 HA ARG A 72 -0.181 3.211 -7.681 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.393 3.343 -9.532 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.202 1.634 -9.867 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -1.135 1.981 -10.522 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -1.041 3.673 -10.075 1.00 0.53 H new ATOM 0 HD2 ARG A 72 0.720 2.369 -12.181 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -0.770 3.219 -12.541 1.00 0.72 H new ATOM 0 HE ARG A 72 0.551 5.151 -11.171 1.00 0.79 H new ATOM 0 HH11 ARG A 72 1.995 2.840 -13.404 1.00 2.55 H new ATOM 0 HH12 ARG A 72 3.056 4.039 -14.150 1.00 2.55 H new ATOM 0 HH21 ARG A 72 1.871 6.716 -12.185 1.00 1.67 H new ATOM 0 HH22 ARG A 72 2.987 6.224 -13.463 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.370 -0.066 -8.173 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.252 -1.228 -8.059 1.00 0.24 C ATOM 1080 C GLU A 73 -1.895 -1.310 -6.690 1.00 0.21 C ATOM 1081 O GLU A 73 -3.078 -1.599 -6.581 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.510 -2.531 -8.354 1.00 0.32 C ATOM 1083 CG GLU A 73 -0.209 -2.754 -9.811 1.00 0.44 C ATOM 1084 CD GLU A 73 -1.467 -2.803 -10.633 1.00 1.27 C ATOM 1085 OE1 GLU A 73 -2.227 -3.789 -10.519 1.00 1.49 O ATOM 1086 OE2 GLU A 73 -1.725 -1.872 -11.409 1.00 2.08 O ATOM 0 H GLU A 73 0.596 -0.298 -8.402 1.00 0.21 H new ATOM 0 HA GLU A 73 -2.035 -1.095 -8.806 1.00 0.24 H new ATOM 0 HB2 GLU A 73 0.426 -2.537 -7.796 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.106 -3.366 -7.986 1.00 0.32 H new ATOM 0 HG2 GLU A 73 0.435 -1.954 -10.177 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.342 -3.687 -9.931 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.111 -1.051 -5.653 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.608 -1.082 -4.279 1.00 0.21 C ATOM 1095 C LEU A 74 -2.671 0.013 -4.095 1.00 0.19 C ATOM 1096 O LEU A 74 -3.762 -0.246 -3.570 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.410 -0.929 -3.285 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.659 -1.125 -1.756 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.418 0.035 -1.126 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.383 -2.440 -1.485 1.00 0.88 C ATOM 0 H LEU A 74 -0.122 -0.815 -5.735 1.00 0.19 H new ATOM 0 HA LEU A 74 -2.085 -2.039 -4.066 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.359 -1.640 -3.586 1.00 0.25 H new ATOM 0 HB3 LEU A 74 0.007 0.069 -3.424 1.00 0.25 H new ATOM 0 HG LEU A 74 0.325 -1.156 -1.287 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.561 -0.158 -0.063 1.00 1.07 H new ATOM 0 HD12 LEU A 74 -0.848 0.955 -1.254 1.00 1.07 H new ATOM 0 HD13 LEU A 74 -2.389 0.140 -1.610 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.544 -2.552 -0.413 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.345 -2.438 -1.998 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -0.778 -3.270 -1.850 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.355 1.209 -4.568 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.252 2.352 -4.494 1.00 0.21 C ATOM 1114 C LEU A 75 -4.554 2.053 -5.218 1.00 0.20 C ATOM 1115 O LEU A 75 -5.647 2.247 -4.666 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.590 3.584 -5.133 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.409 4.879 -5.108 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.641 5.336 -3.694 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -2.728 5.964 -5.902 1.00 0.37 C ATOM 0 H LEU A 75 -1.463 1.415 -5.017 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.464 2.554 -3.444 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.643 3.767 -4.625 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.354 3.347 -6.171 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.375 4.672 -5.569 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.224 6.257 -3.700 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.185 4.566 -3.147 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.682 5.517 -3.208 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.330 6.872 -5.868 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -1.745 6.164 -5.476 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -2.616 5.642 -6.937 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.429 1.561 -6.432 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.575 1.281 -7.287 1.00 0.25 C ATOM 1133 C ASP A 76 -6.426 0.174 -6.712 1.00 0.23 C ATOM 1134 O ASP A 76 -7.648 0.245 -6.762 1.00 0.25 O ATOM 1135 CB ASP A 76 -5.131 0.897 -8.690 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.294 0.818 -9.650 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -6.958 -0.246 -9.694 1.00 1.07 O ATOM 1138 OD2 ASP A 76 -6.569 1.795 -10.370 1.00 0.72 O ATOM 0 H ASP A 76 -3.530 1.341 -6.860 1.00 0.21 H new ATOM 0 HA ASP A 76 -6.168 2.194 -7.339 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.409 1.628 -9.054 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.621 -0.066 -8.658 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.772 -0.833 -6.154 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.439 -1.977 -5.540 1.00 0.23 C ATOM 1145 C LEU A 77 -7.422 -1.521 -4.473 1.00 0.26 C ATOM 1146 O LEU A 77 -8.609 -1.886 -4.502 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.401 -2.920 -4.910 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.942 -4.171 -4.215 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.629 -5.095 -5.210 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.824 -4.896 -3.480 1.00 0.32 C ATOM 0 H LEU A 77 -4.754 -0.882 -6.113 1.00 0.21 H new ATOM 0 HA LEU A 77 -6.987 -2.507 -6.319 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.710 -3.237 -5.692 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.821 -2.351 -4.183 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.687 -3.860 -3.483 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -7.004 -5.976 -4.689 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.461 -4.570 -5.680 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -5.915 -5.402 -5.974 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -5.226 -5.784 -2.991 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -4.053 -5.191 -4.191 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -4.392 -4.233 -2.730 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.946 -0.691 -3.563 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.784 -0.241 -2.478 1.00 0.29 C ATOM 1164 C ILE A 78 -8.778 0.798 -2.975 1.00 0.29 C ATOM 1165 O ILE A 78 -9.914 0.822 -2.534 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.980 0.319 -1.297 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.814 -0.615 -0.979 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.899 0.431 -0.074 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.938 -0.144 0.150 1.00 0.34 C ATOM 0 H ILE A 78 -5.995 -0.321 -3.556 1.00 0.26 H new ATOM 0 HA ILE A 78 -8.321 -1.116 -2.111 1.00 0.29 H new ATOM 0 HB ILE A 78 -6.588 1.303 -1.554 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.209 -1.600 -0.731 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -5.203 -0.733 -1.874 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -7.335 0.828 0.770 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -8.729 1.099 -0.303 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -8.287 -0.555 0.181 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -4.135 -0.863 0.312 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -4.511 0.827 -0.102 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.533 -0.054 1.059 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.352 1.643 -3.917 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.269 2.615 -4.547 1.00 0.32 C ATOM 1183 C ASN A 79 -10.429 1.898 -5.197 1.00 0.31 C ATOM 1184 O ASN A 79 -11.563 2.340 -5.112 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.574 3.514 -5.585 1.00 0.44 C ATOM 1186 CG ASN A 79 -8.007 4.796 -5.004 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -8.688 5.783 -4.915 1.00 1.53 O ATOM 1188 ND2 ASN A 79 -6.776 4.799 -4.624 1.00 0.89 N ATOM 0 H ASN A 79 -7.393 1.680 -4.261 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.628 3.262 -3.747 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.768 2.952 -6.056 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.288 3.766 -6.369 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -6.363 5.649 -4.240 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -6.214 3.952 -4.707 1.00 0.89 H new ATOM 1195 N GLY A 80 -10.128 0.761 -5.798 1.00 0.32 N ATOM 1196 CA GLY A 80 -11.134 -0.059 -6.430 1.00 0.39 C ATOM 1197 C GLY A 80 -12.101 -0.606 -5.416 1.00 0.42 C ATOM 1198 O GLY A 80 -13.319 -0.533 -5.609 1.00 0.47 O ATOM 0 H GLY A 80 -9.182 0.385 -5.859 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.674 0.529 -7.172 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.656 -0.881 -6.962 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.556 -1.113 -4.317 1.00 0.44 N ATOM 1203 CA ALA A 81 -12.346 -1.644 -3.213 1.00 0.51 C ATOM 1204 C ALA A 81 -13.222 -0.541 -2.616 1.00 0.52 C ATOM 1205 O ALA A 81 -14.385 -0.752 -2.325 1.00 0.65 O ATOM 1206 CB ALA A 81 -11.428 -2.241 -2.143 1.00 0.56 C ATOM 0 H ALA A 81 -10.549 -1.168 -4.166 1.00 0.44 H new ATOM 0 HA ALA A 81 -12.994 -2.435 -3.591 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -12.031 -2.634 -1.324 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -10.838 -3.047 -2.579 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.761 -1.467 -1.763 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.650 0.640 -2.489 1.00 0.46 N ATOM 1213 CA LEU A 82 -13.336 1.812 -1.966 1.00 0.54 C ATOM 1214 C LEU A 82 -14.387 2.348 -2.926 1.00 0.62 C ATOM 1215 O LEU A 82 -15.368 2.967 -2.496 1.00 0.84 O ATOM 1216 CB LEU A 82 -12.331 2.902 -1.622 1.00 0.55 C ATOM 1217 CG LEU A 82 -11.490 2.637 -0.387 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -10.372 3.644 -0.292 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -12.366 2.715 0.850 1.00 1.03 C ATOM 0 H LEU A 82 -11.680 0.818 -2.750 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.858 1.500 -1.061 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -11.664 3.042 -2.473 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -12.869 3.839 -1.482 1.00 0.55 H new ATOM 0 HG LEU A 82 -11.055 1.640 -0.459 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -9.776 3.443 0.598 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -9.739 3.570 -1.177 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -10.791 4.648 -0.229 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -11.761 2.525 1.737 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -12.810 3.708 0.920 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -13.157 1.968 0.783 1.00 1.03 H new ATOM 1231 N ALA A 83 -14.188 2.130 -4.202 1.00 0.53 N ATOM 1232 CA ALA A 83 -15.136 2.555 -5.211 1.00 0.66 C ATOM 1233 C ALA A 83 -16.405 1.737 -5.106 1.00 0.86 C ATOM 1234 O ALA A 83 -17.503 2.269 -5.197 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.536 2.435 -6.605 1.00 0.64 C ATOM 0 H ALA A 83 -13.366 1.654 -4.574 1.00 0.53 H new ATOM 0 HA ALA A 83 -15.378 3.604 -5.039 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.267 2.760 -7.345 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.647 3.062 -6.674 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.264 1.397 -6.796 1.00 0.64 H new ATOM 1241 N GLU A 84 -16.238 0.457 -4.854 1.00 0.92 N ATOM 1242 CA GLU A 84 -17.351 -0.468 -4.731 1.00 1.18 C ATOM 1243 C GLU A 84 -17.664 -0.728 -3.256 1.00 1.28 C ATOM 1244 O GLU A 84 -18.322 -1.715 -2.909 1.00 1.63 O ATOM 1245 CB GLU A 84 -17.013 -1.786 -5.431 1.00 1.30 C ATOM 1246 CG GLU A 84 -15.769 -2.470 -4.885 1.00 1.61 C ATOM 1247 CD GLU A 84 -15.511 -3.795 -5.520 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -14.834 -3.831 -6.579 1.00 2.66 O ATOM 1249 OE2 GLU A 84 -15.974 -4.825 -4.988 1.00 2.42 O ATOM 0 H GLU A 84 -15.323 0.024 -4.728 1.00 0.92 H new ATOM 0 HA GLU A 84 -18.228 -0.026 -5.204 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -17.861 -2.465 -5.336 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -16.874 -1.596 -6.495 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -14.906 -1.823 -5.042 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -15.876 -2.603 -3.808 1.00 1.61 H new ATOM 1256 N ALA A 85 -17.194 0.145 -2.392 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.415 -0.015 -0.971 1.00 1.33 C ATOM 1258 C ALA A 85 -18.809 0.427 -0.601 1.00 1.71 C ATOM 1259 O ALA A 85 -19.073 1.616 -0.386 1.00 2.30 O ATOM 1260 CB ALA A 85 -16.370 0.720 -0.149 1.00 1.30 C ATOM 0 H ALA A 85 -16.656 0.973 -2.648 1.00 1.13 H new ATOM 0 HA ALA A 85 -17.315 -1.075 -0.737 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -16.573 0.574 0.912 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.380 0.330 -0.386 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -16.406 1.784 -0.382 1.00 1.30 H new ATOM 1266 N ALA A 86 -19.700 -0.506 -0.611 1.00 2.12 N ATOM 1267 CA ALA A 86 -21.059 -0.282 -0.264 1.00 2.78 C ATOM 1268 C ALA A 86 -21.412 -1.259 0.819 1.00 3.16 C ATOM 1269 O ALA A 86 -21.621 -2.456 0.513 1.00 3.59 O ATOM 1270 CB ALA A 86 -21.960 -0.455 -1.481 1.00 3.57 C ATOM 1271 OXT ALA A 86 -21.424 -0.868 1.981 1.00 3.56 O ATOM 0 H ALA A 86 -19.495 -1.472 -0.868 1.00 2.12 H new ATOM 0 HA ALA A 86 -21.203 0.738 0.091 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -22.997 -0.279 -1.194 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -21.671 0.259 -2.252 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -21.858 -1.469 -1.868 1.00 3.57 H new