USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 Single : A 6 THR OG1 : rot 91:sc= 1.3 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00419 USER MOD Single : A 17 SER OG : rot 83:sc= 0.967 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -136:sc= 0.184 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00482 USER MOD Single : A 46 MET CE :methyl 141:sc= -0.309 (180deg=-1.04) USER MOD Single : A 48 THR OG1 : rot 57:sc= 1.22 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -168:sc= 1.18 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0716 USER MOD Single : A 70 THR OG1 : rot -43:sc= 0.78 USER MOD Single : A 79 ASN : amide:sc= -0.0818 X(o=-0.082,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 14.803 -4.082 2.047 1.00 0.80 N ATOM 45 CA LEU A 4 13.729 -3.678 1.196 1.00 0.65 C ATOM 46 C LEU A 4 12.402 -4.137 1.803 1.00 0.68 C ATOM 47 O LEU A 4 12.336 -5.188 2.446 1.00 0.86 O ATOM 48 CB LEU A 4 13.946 -4.287 -0.197 1.00 0.70 C ATOM 49 CG LEU A 4 13.082 -3.739 -1.323 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.403 -2.269 -1.562 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.292 -4.543 -2.597 1.00 1.01 C ATOM 0 HA LEU A 4 13.701 -2.592 1.101 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.992 -4.147 -0.471 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.776 -5.361 -0.129 1.00 0.70 H new ATOM 0 HG LEU A 4 12.035 -3.826 -1.032 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.779 -1.887 -2.370 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.207 -1.701 -0.652 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.453 -2.166 -1.835 1.00 0.70 H new ATOM 0 HD21 LEU A 4 12.666 -4.136 -3.391 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.339 -4.486 -2.895 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.022 -5.584 -2.419 1.00 1.01 H new ATOM 63 N LEU A 5 11.368 -3.342 1.615 1.00 0.60 N ATOM 64 CA LEU A 5 10.050 -3.640 2.164 1.00 0.64 C ATOM 65 C LEU A 5 9.379 -4.742 1.333 1.00 0.59 C ATOM 66 O LEU A 5 9.303 -4.644 0.101 1.00 0.61 O ATOM 67 CB LEU A 5 9.214 -2.321 2.222 1.00 0.69 C ATOM 68 CG LEU A 5 7.853 -2.342 2.965 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.733 -2.943 2.139 1.00 1.61 C ATOM 70 CD2 LEU A 5 7.996 -3.098 4.259 1.00 1.54 C ATOM 0 H LEU A 5 11.411 -2.474 1.081 1.00 0.60 H new ATOM 0 HA LEU A 5 10.129 -4.022 3.182 1.00 0.64 H new ATOM 0 HB2 LEU A 5 9.834 -1.555 2.687 1.00 0.69 H new ATOM 0 HB3 LEU A 5 9.028 -2.001 1.197 1.00 0.69 H new ATOM 0 HG LEU A 5 7.579 -1.305 3.158 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.808 -2.928 2.715 1.00 1.61 H new ATOM 0 HD12 LEU A 5 6.601 -2.361 1.227 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.983 -3.972 1.881 1.00 1.61 H new ATOM 0 HD21 LEU A 5 7.039 -3.112 4.780 1.00 1.54 H new ATOM 0 HD22 LEU A 5 8.310 -4.121 4.050 1.00 1.54 H new ATOM 0 HD23 LEU A 5 8.743 -2.610 4.885 1.00 1.54 H new ATOM 82 N THR A 6 8.925 -5.787 2.007 1.00 0.61 N ATOM 83 CA THR A 6 8.341 -6.937 1.364 1.00 0.63 C ATOM 84 C THR A 6 6.800 -7.004 1.481 1.00 0.57 C ATOM 85 O THR A 6 6.181 -6.234 2.235 1.00 0.59 O ATOM 86 CB THR A 6 9.000 -8.221 1.895 1.00 0.79 C ATOM 87 OG1 THR A 6 9.134 -8.123 3.337 1.00 0.95 O ATOM 88 CG2 THR A 6 10.375 -8.419 1.264 1.00 0.97 C ATOM 0 H THR A 6 8.955 -5.854 3.024 1.00 0.61 H new ATOM 0 HA THR A 6 8.541 -6.838 0.297 1.00 0.63 H new ATOM 0 HB THR A 6 8.375 -9.076 1.636 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.338 -8.501 3.766 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.825 -9.333 1.652 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.271 -8.497 0.182 1.00 0.97 H new ATOM 0 HG23 THR A 6 11.012 -7.569 1.507 1.00 0.97 H new ATOM 96 N THR A 7 6.209 -7.974 0.792 1.00 0.60 N ATOM 97 CA THR A 7 4.767 -8.149 0.698 1.00 0.59 C ATOM 98 C THR A 7 4.158 -8.554 2.046 1.00 0.53 C ATOM 99 O THR A 7 3.038 -8.142 2.391 1.00 0.56 O ATOM 100 CB THR A 7 4.475 -9.250 -0.335 1.00 0.69 C ATOM 101 OG1 THR A 7 5.278 -9.018 -1.498 1.00 0.90 O ATOM 102 CG2 THR A 7 3.002 -9.249 -0.744 1.00 0.81 C ATOM 0 H THR A 7 6.734 -8.677 0.271 1.00 0.60 H new ATOM 0 HA THR A 7 4.322 -7.200 0.398 1.00 0.59 H new ATOM 0 HB THR A 7 4.709 -10.216 0.113 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.101 -9.716 -2.163 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.827 -10.038 -1.475 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.380 -9.423 0.134 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.747 -8.285 -1.183 1.00 0.81 H new ATOM 110 N ASP A 8 4.895 -9.345 2.808 1.00 0.54 N ATOM 111 CA ASP A 8 4.414 -9.834 4.097 1.00 0.54 C ATOM 112 C ASP A 8 4.195 -8.674 5.064 1.00 0.52 C ATOM 113 O ASP A 8 3.244 -8.681 5.855 1.00 0.54 O ATOM 114 CB ASP A 8 5.378 -10.874 4.711 1.00 0.63 C ATOM 115 CG ASP A 8 6.633 -10.277 5.334 1.00 1.48 C ATOM 116 OD1 ASP A 8 7.437 -9.671 4.601 1.00 2.26 O ATOM 117 OD2 ASP A 8 6.819 -10.376 6.571 1.00 1.98 O ATOM 0 H ASP A 8 5.831 -9.665 2.559 1.00 0.54 H new ATOM 0 HA ASP A 8 3.460 -10.331 3.922 1.00 0.54 H new ATOM 0 HB2 ASP A 8 4.844 -11.442 5.473 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.673 -11.581 3.935 1.00 0.63 H new ATOM 122 N ASP A 9 5.040 -7.660 4.970 1.00 0.57 N ATOM 123 CA ASP A 9 4.924 -6.495 5.831 1.00 0.64 C ATOM 124 C ASP A 9 3.911 -5.526 5.250 1.00 0.59 C ATOM 125 O ASP A 9 3.217 -4.812 5.978 1.00 0.63 O ATOM 126 CB ASP A 9 6.262 -5.799 5.994 1.00 0.79 C ATOM 127 CG ASP A 9 6.216 -4.725 7.064 1.00 1.60 C ATOM 128 OD1 ASP A 9 6.268 -5.059 8.239 1.00 1.70 O ATOM 129 OD2 ASP A 9 6.117 -3.509 6.737 1.00 2.47 O ATOM 0 H ASP A 9 5.813 -7.620 4.306 1.00 0.57 H new ATOM 0 HA ASP A 9 4.591 -6.830 6.813 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.024 -6.534 6.251 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.557 -5.353 5.044 1.00 0.79 H new ATOM 134 N LEU A 10 3.824 -5.519 3.928 1.00 0.54 N ATOM 135 CA LEU A 10 2.848 -4.707 3.211 1.00 0.54 C ATOM 136 C LEU A 10 1.445 -5.052 3.673 1.00 0.53 C ATOM 137 O LEU A 10 0.623 -4.158 3.909 1.00 0.59 O ATOM 138 CB LEU A 10 2.935 -4.955 1.714 1.00 0.55 C ATOM 139 CG LEU A 10 1.916 -4.181 0.860 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.256 -2.698 0.804 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.800 -4.783 -0.527 1.00 0.65 C ATOM 0 H LEU A 10 4.427 -6.075 3.321 1.00 0.54 H new ATOM 0 HA LEU A 10 3.067 -3.660 3.419 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.939 -4.696 1.377 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.803 -6.021 1.531 1.00 0.55 H new ATOM 0 HG LEU A 10 0.940 -4.270 1.338 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.518 -2.178 0.193 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.248 -2.285 1.813 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.246 -2.568 0.366 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.073 -4.217 -1.110 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.770 -4.746 -1.022 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.473 -5.820 -0.447 1.00 0.65 H new ATOM 153 N ARG A 11 1.187 -6.359 3.819 1.00 0.49 N ATOM 154 CA ARG A 11 -0.108 -6.850 4.277 1.00 0.50 C ATOM 155 C ARG A 11 -0.466 -6.230 5.602 1.00 0.54 C ATOM 156 O ARG A 11 -1.566 -5.749 5.765 1.00 0.63 O ATOM 157 CB ARG A 11 -0.132 -8.381 4.376 1.00 0.51 C ATOM 158 CG ARG A 11 -1.483 -8.953 4.827 1.00 0.61 C ATOM 159 CD ARG A 11 -1.492 -10.470 4.786 1.00 0.72 C ATOM 160 NE ARG A 11 -0.492 -11.051 5.678 1.00 0.96 N ATOM 161 CZ ARG A 11 0.201 -12.169 5.443 1.00 1.24 C ATOM 162 NH1 ARG A 11 0.060 -12.823 4.284 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.034 -12.630 6.367 1.00 1.80 N ATOM 0 H ARG A 11 1.866 -7.094 3.624 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.853 -6.557 3.537 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.124 -8.802 3.404 1.00 0.51 H new ATOM 0 HB3 ARG A 11 0.640 -8.702 5.076 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.701 -8.615 5.840 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -2.274 -8.567 4.185 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -2.481 -10.834 5.065 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -1.305 -10.806 3.766 1.00 0.72 H new ATOM 0 HE ARG A 11 -0.307 -10.562 6.554 1.00 0.96 H new ATOM 0 HH11 ARG A 11 -0.580 -12.469 3.573 1.00 1.65 H new ATOM 0 HH12 ARG A 11 0.592 -13.676 4.112 1.00 1.65 H new ATOM 0 HH21 ARG A 11 1.142 -12.132 7.250 1.00 1.80 H new ATOM 0 HH22 ARG A 11 1.566 -13.483 6.194 1.00 1.80 H new ATOM 177 N ARG A 12 0.504 -6.196 6.514 1.00 0.54 N ATOM 178 CA ARG A 12 0.336 -5.594 7.837 1.00 0.60 C ATOM 179 C ARG A 12 -0.212 -4.176 7.712 1.00 0.58 C ATOM 180 O ARG A 12 -1.260 -3.858 8.259 1.00 0.66 O ATOM 181 CB ARG A 12 1.678 -5.533 8.576 1.00 0.68 C ATOM 182 CG ARG A 12 2.294 -6.866 8.944 1.00 0.80 C ATOM 183 CD ARG A 12 3.676 -6.654 9.538 1.00 0.96 C ATOM 184 NE ARG A 12 4.258 -7.882 10.091 1.00 1.50 N ATOM 185 CZ ARG A 12 5.570 -8.075 10.304 1.00 2.02 C ATOM 186 NH1 ARG A 12 6.473 -7.235 9.793 1.00 2.23 N ATOM 187 NH2 ARG A 12 5.974 -9.124 11.011 1.00 2.93 N ATOM 0 H ARG A 12 1.433 -6.587 6.356 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.365 -6.214 8.397 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.388 -4.986 7.955 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.541 -4.954 9.489 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.657 -7.385 9.660 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.362 -7.501 8.060 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.339 -6.259 8.768 1.00 0.96 H new ATOM 0 HD3 ARG A 12 3.616 -5.901 10.324 1.00 0.96 H new ATOM 0 HE ARG A 12 3.622 -8.642 10.330 1.00 1.50 H new ATOM 0 HH11 ARG A 12 6.169 -6.437 9.235 1.00 2.23 H new ATOM 0 HH12 ARG A 12 7.467 -7.391 9.961 1.00 2.23 H new ATOM 0 HH21 ARG A 12 5.289 -9.778 11.389 1.00 2.93 H new ATOM 0 HH22 ARG A 12 6.969 -9.275 11.176 1.00 2.93 H new ATOM 201 N ALA A 13 0.480 -3.355 6.928 1.00 0.54 N ATOM 202 CA ALA A 13 0.112 -1.960 6.742 1.00 0.58 C ATOM 203 C ALA A 13 -1.230 -1.817 6.044 1.00 0.56 C ATOM 204 O ALA A 13 -2.022 -0.925 6.385 1.00 0.65 O ATOM 205 CB ALA A 13 1.186 -1.235 5.969 1.00 0.66 C ATOM 0 H ALA A 13 1.309 -3.639 6.406 1.00 0.54 H new ATOM 0 HA ALA A 13 0.017 -1.510 7.730 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.898 -0.192 5.837 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.126 -1.285 6.518 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.311 -1.703 4.993 1.00 0.66 H new ATOM 211 N LEU A 14 -1.476 -2.681 5.075 1.00 0.53 N ATOM 212 CA LEU A 14 -2.713 -2.689 4.350 1.00 0.59 C ATOM 213 C LEU A 14 -3.885 -2.974 5.324 1.00 0.75 C ATOM 214 O LEU A 14 -4.906 -2.281 5.291 1.00 1.02 O ATOM 215 CB LEU A 14 -2.634 -3.746 3.234 1.00 0.54 C ATOM 216 CG LEU A 14 -3.634 -3.605 2.096 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.389 -2.303 1.345 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.543 -4.785 1.140 1.00 1.06 C ATOM 0 H LEU A 14 -0.813 -3.396 4.775 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.891 -1.717 3.890 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.630 -3.722 2.811 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.766 -4.729 3.685 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.637 -3.590 2.523 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.109 -2.211 0.532 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.503 -1.462 2.029 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.379 -2.303 0.936 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.268 -4.659 0.336 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.539 -4.835 0.718 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.756 -5.708 1.680 1.00 1.06 H new ATOM 230 N VAL A 15 -3.700 -3.970 6.215 1.00 0.71 N ATOM 231 CA VAL A 15 -4.705 -4.341 7.240 1.00 0.83 C ATOM 232 C VAL A 15 -5.045 -3.138 8.115 1.00 0.85 C ATOM 233 O VAL A 15 -6.208 -2.789 8.269 1.00 0.98 O ATOM 234 CB VAL A 15 -4.184 -5.489 8.168 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.180 -5.796 9.284 1.00 1.02 C ATOM 236 CG2 VAL A 15 -3.920 -6.743 7.374 1.00 0.91 C ATOM 0 H VAL A 15 -2.854 -4.539 6.247 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.591 -4.684 6.706 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.252 -5.144 8.615 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -4.789 -6.597 9.911 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.334 -4.903 9.890 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.130 -6.107 8.849 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.559 -7.526 8.040 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.842 -7.071 6.895 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.168 -6.540 6.612 1.00 0.91 H new ATOM 246 N GLU A 16 -4.015 -2.521 8.682 1.00 0.81 N ATOM 247 CA GLU A 16 -4.156 -1.357 9.574 1.00 0.87 C ATOM 248 C GLU A 16 -5.020 -0.275 8.919 1.00 0.89 C ATOM 249 O GLU A 16 -5.918 0.303 9.547 1.00 1.05 O ATOM 250 CB GLU A 16 -2.782 -0.749 9.846 1.00 0.91 C ATOM 251 CG GLU A 16 -1.743 -1.728 10.354 1.00 1.00 C ATOM 252 CD GLU A 16 -2.066 -2.334 11.690 1.00 1.30 C ATOM 253 OE1 GLU A 16 -2.160 -1.595 12.681 1.00 1.90 O ATOM 254 OE2 GLU A 16 -2.313 -3.541 11.752 1.00 1.91 O ATOM 0 H GLU A 16 -3.047 -2.810 8.540 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.623 -1.697 10.499 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -2.413 -0.294 8.927 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -2.893 0.053 10.576 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.627 -2.529 9.623 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -0.782 -1.217 10.422 1.00 1.00 H new ATOM 261 N SER A 17 -4.777 -0.066 7.647 1.00 0.82 N ATOM 262 CA SER A 17 -5.419 0.967 6.876 1.00 0.93 C ATOM 263 C SER A 17 -6.843 0.589 6.445 1.00 1.03 C ATOM 264 O SER A 17 -7.569 1.420 5.897 1.00 1.22 O ATOM 265 CB SER A 17 -4.557 1.271 5.673 1.00 0.96 C ATOM 266 OG SER A 17 -3.222 1.537 6.084 1.00 1.58 O ATOM 0 H SER A 17 -4.113 -0.623 7.109 1.00 0.82 H new ATOM 0 HA SER A 17 -5.522 1.852 7.504 1.00 0.93 H new ATOM 0 HB2 SER A 17 -4.572 0.428 4.982 1.00 0.96 H new ATOM 0 HB3 SER A 17 -4.959 2.130 5.136 1.00 0.96 H new ATOM 0 HG SER A 17 -2.744 0.691 6.209 1.00 1.58 H new ATOM 351 N ASP A 25 -10.742 -10.632 2.928 1.00 1.06 N ATOM 352 CA ASP A 25 -9.823 -11.718 3.177 1.00 1.14 C ATOM 353 C ASP A 25 -8.490 -11.502 2.482 1.00 0.91 C ATOM 354 O ASP A 25 -8.346 -11.729 1.287 1.00 1.11 O ATOM 355 CB ASP A 25 -10.471 -13.035 2.743 1.00 1.52 C ATOM 356 CG ASP A 25 -9.557 -14.235 2.828 1.00 1.99 C ATOM 357 OD1 ASP A 25 -9.273 -14.689 3.950 1.00 2.49 O ATOM 358 OD2 ASP A 25 -9.059 -14.701 1.778 1.00 2.41 O ATOM 0 HA ASP A 25 -9.610 -11.757 4.245 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -11.348 -13.217 3.364 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -10.822 -12.933 1.716 1.00 1.52 H new ATOM 363 N LEU A 26 -7.529 -11.011 3.234 1.00 0.84 N ATOM 364 CA LEU A 26 -6.174 -10.806 2.728 1.00 0.77 C ATOM 365 C LEU A 26 -5.315 -12.021 3.010 1.00 0.86 C ATOM 366 O LEU A 26 -4.088 -11.988 2.849 1.00 1.05 O ATOM 367 CB LEU A 26 -5.510 -9.556 3.353 1.00 0.94 C ATOM 368 CG LEU A 26 -5.776 -8.173 2.717 1.00 0.85 C ATOM 369 CD1 LEU A 26 -7.250 -7.825 2.672 1.00 1.22 C ATOM 370 CD2 LEU A 26 -5.006 -7.105 3.472 1.00 1.11 C ATOM 0 H LEU A 26 -7.656 -10.741 4.210 1.00 0.84 H new ATOM 0 HA LEU A 26 -6.253 -10.651 1.652 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -5.821 -9.504 4.396 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.432 -9.719 3.349 1.00 0.94 H new ATOM 0 HG LEU A 26 -5.431 -8.218 1.684 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -7.378 -6.843 2.216 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -7.782 -8.572 2.083 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -7.651 -7.809 3.685 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -5.196 -6.131 3.020 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -5.329 -7.091 4.513 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.939 -7.324 3.426 1.00 1.11 H new ATOM 382 N SER A 27 -5.937 -13.096 3.415 1.00 0.96 N ATOM 383 CA SER A 27 -5.217 -14.292 3.699 1.00 1.13 C ATOM 384 C SER A 27 -5.123 -15.154 2.442 1.00 1.20 C ATOM 385 O SER A 27 -5.922 -16.066 2.205 1.00 1.66 O ATOM 386 CB SER A 27 -5.838 -15.023 4.872 1.00 1.36 C ATOM 387 OG SER A 27 -5.922 -14.154 6.000 1.00 1.89 O ATOM 0 H SER A 27 -6.945 -13.160 3.554 1.00 0.96 H new ATOM 0 HA SER A 27 -4.198 -14.044 3.996 1.00 1.13 H new ATOM 0 HB2 SER A 27 -6.832 -15.380 4.603 1.00 1.36 H new ATOM 0 HB3 SER A 27 -5.241 -15.900 5.122 1.00 1.36 H new ATOM 0 HG SER A 27 -6.326 -14.634 6.753 1.00 1.89 H new ATOM 393 N GLY A 28 -4.191 -14.786 1.622 1.00 1.48 N ATOM 394 CA GLY A 28 -3.923 -15.411 0.369 1.00 1.67 C ATOM 395 C GLY A 28 -2.975 -14.510 -0.329 1.00 1.54 C ATOM 396 O GLY A 28 -2.586 -13.488 0.262 1.00 2.30 O ATOM 0 H GLY A 28 -3.567 -14.004 1.819 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -3.491 -16.402 0.509 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -4.838 -15.541 -0.208 1.00 1.67 H new ATOM 400 N ASP A 29 -2.586 -14.802 -1.537 1.00 1.09 N ATOM 401 CA ASP A 29 -1.659 -13.910 -2.186 1.00 1.07 C ATOM 402 C ASP A 29 -2.415 -12.842 -2.945 1.00 0.87 C ATOM 403 O ASP A 29 -2.728 -12.971 -4.117 1.00 1.13 O ATOM 404 CB ASP A 29 -0.631 -14.616 -3.047 1.00 1.48 C ATOM 405 CG ASP A 29 0.512 -13.698 -3.411 1.00 2.24 C ATOM 406 OD1 ASP A 29 1.337 -13.367 -2.515 1.00 2.56 O ATOM 407 OD2 ASP A 29 0.635 -13.322 -4.582 1.00 2.97 O ATOM 0 H ASP A 29 -2.879 -15.616 -2.078 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.071 -13.431 -1.403 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -0.245 -15.486 -2.515 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -1.107 -14.984 -3.956 1.00 1.48 H new ATOM 412 N PHE A 30 -2.738 -11.817 -2.211 1.00 0.67 N ATOM 413 CA PHE A 30 -3.551 -10.676 -2.645 1.00 0.57 C ATOM 414 C PHE A 30 -2.756 -9.680 -3.500 1.00 0.49 C ATOM 415 O PHE A 30 -3.238 -8.587 -3.780 1.00 0.48 O ATOM 416 CB PHE A 30 -4.073 -9.945 -1.382 1.00 0.59 C ATOM 417 CG PHE A 30 -2.952 -9.417 -0.494 1.00 0.55 C ATOM 418 CD1 PHE A 30 -2.361 -10.228 0.471 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.460 -8.126 -0.660 1.00 0.58 C ATOM 420 CE1 PHE A 30 -1.321 -9.757 1.239 1.00 0.74 C ATOM 421 CE2 PHE A 30 -1.416 -7.659 0.106 1.00 0.65 C ATOM 422 CZ PHE A 30 -0.845 -8.473 1.051 1.00 0.73 C ATOM 0 H PHE A 30 -2.435 -11.733 -1.241 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.367 -11.056 -3.259 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.710 -9.114 -1.687 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.695 -10.628 -0.804 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -2.722 -11.235 0.618 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.905 -7.480 -1.402 1.00 0.58 H new ATOM 0 HE1 PHE A 30 -0.876 -10.392 1.990 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -1.047 -6.654 -0.037 1.00 0.65 H new ATOM 0 HZ PHE A 30 -0.022 -8.110 1.649 1.00 0.73 H new ATOM 432 N LEU A 31 -1.579 -10.064 -3.937 1.00 0.54 N ATOM 433 CA LEU A 31 -0.669 -9.149 -4.610 1.00 0.60 C ATOM 434 C LEU A 31 -1.255 -8.608 -5.940 1.00 0.63 C ATOM 435 O LEU A 31 -1.053 -7.431 -6.283 1.00 0.72 O ATOM 436 CB LEU A 31 0.696 -9.829 -4.812 1.00 0.75 C ATOM 437 CG LEU A 31 1.872 -8.916 -5.152 1.00 0.82 C ATOM 438 CD1 LEU A 31 2.126 -7.934 -4.014 1.00 0.75 C ATOM 439 CD2 LEU A 31 3.122 -9.735 -5.437 1.00 1.43 C ATOM 0 H LEU A 31 -1.221 -11.014 -3.840 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.529 -8.276 -3.973 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.942 -10.376 -3.902 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.595 -10.565 -5.609 1.00 0.75 H new ATOM 0 HG LEU A 31 1.621 -8.351 -6.050 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.967 -7.290 -4.270 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.237 -7.324 -3.855 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.356 -8.485 -3.102 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.948 -9.066 -5.677 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.378 -10.327 -4.558 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.937 -10.400 -6.280 1.00 1.43 H new ATOM 451 N ASP A 32 -1.995 -9.447 -6.661 1.00 0.66 N ATOM 452 CA ASP A 32 -2.641 -9.030 -7.927 1.00 0.83 C ATOM 453 C ASP A 32 -4.120 -8.728 -7.727 1.00 0.73 C ATOM 454 O ASP A 32 -4.853 -8.451 -8.700 1.00 0.96 O ATOM 455 CB ASP A 32 -2.492 -10.085 -9.049 1.00 1.10 C ATOM 456 CG ASP A 32 -3.265 -11.393 -8.826 1.00 1.70 C ATOM 457 OD1 ASP A 32 -4.475 -11.459 -9.125 1.00 2.26 O ATOM 458 OD2 ASP A 32 -2.658 -12.391 -8.396 1.00 2.33 O ATOM 0 H ASP A 32 -2.168 -10.418 -6.401 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.121 -8.123 -8.236 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -2.823 -9.642 -9.988 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -1.434 -10.322 -9.164 1.00 1.10 H new ATOM 463 N LEU A 33 -4.560 -8.752 -6.491 1.00 0.50 N ATOM 464 CA LEU A 33 -5.958 -8.510 -6.192 1.00 0.50 C ATOM 465 C LEU A 33 -6.212 -7.003 -6.296 1.00 0.50 C ATOM 466 O LEU A 33 -5.296 -6.213 -6.123 1.00 0.78 O ATOM 467 CB LEU A 33 -6.308 -9.069 -4.800 1.00 0.49 C ATOM 468 CG LEU A 33 -7.794 -9.146 -4.433 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.544 -10.019 -5.431 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.953 -9.718 -3.034 1.00 0.70 C ATOM 0 H LEU A 33 -3.975 -8.936 -5.676 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.604 -9.024 -6.904 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.888 -10.072 -4.723 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.806 -8.455 -4.053 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.211 -8.139 -4.462 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.598 -10.063 -5.156 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.447 -9.595 -6.430 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.124 -11.025 -5.422 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.012 -9.770 -2.780 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.522 -10.719 -2.999 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.439 -9.076 -2.318 1.00 0.70 H new ATOM 482 N ARG A 34 -7.414 -6.601 -6.598 1.00 0.34 N ATOM 483 CA ARG A 34 -7.677 -5.188 -6.831 1.00 0.37 C ATOM 484 C ARG A 34 -8.136 -4.511 -5.556 1.00 0.35 C ATOM 485 O ARG A 34 -8.691 -5.165 -4.657 1.00 0.40 O ATOM 486 CB ARG A 34 -8.775 -5.020 -7.876 1.00 0.45 C ATOM 487 CG ARG A 34 -8.519 -5.682 -9.218 1.00 0.60 C ATOM 488 CD ARG A 34 -9.748 -5.573 -10.098 1.00 1.01 C ATOM 489 NE ARG A 34 -10.914 -6.189 -9.446 1.00 1.74 N ATOM 490 CZ ARG A 34 -12.196 -5.928 -9.717 1.00 2.51 C ATOM 491 NH1 ARG A 34 -12.527 -5.083 -10.682 1.00 2.74 N ATOM 492 NH2 ARG A 34 -13.148 -6.521 -9.001 1.00 3.50 N ATOM 0 H ARG A 34 -8.225 -7.213 -6.690 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.750 -4.733 -7.179 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.703 -5.419 -7.467 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.932 -3.954 -8.042 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.668 -5.209 -9.709 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -8.260 -6.730 -9.071 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -9.957 -4.525 -10.311 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -9.560 -6.061 -11.054 1.00 1.01 H new ATOM 0 HE ARG A 34 -10.726 -6.880 -8.719 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.799 -4.623 -11.229 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -13.510 -4.893 -10.878 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -12.896 -7.168 -8.254 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -14.130 -6.329 -9.200 1.00 3.50 H new ATOM 506 N PHE A 35 -7.955 -3.199 -5.486 1.00 0.36 N ATOM 507 CA PHE A 35 -8.464 -2.422 -4.365 1.00 0.39 C ATOM 508 C PHE A 35 -9.987 -2.418 -4.405 1.00 0.47 C ATOM 509 O PHE A 35 -10.656 -2.310 -3.366 1.00 0.54 O ATOM 510 CB PHE A 35 -7.886 -0.993 -4.324 1.00 0.41 C ATOM 511 CG PHE A 35 -6.433 -0.934 -3.912 1.00 0.38 C ATOM 512 CD1 PHE A 35 -6.086 -0.962 -2.571 1.00 0.42 C ATOM 513 CD2 PHE A 35 -5.426 -0.857 -4.851 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.762 -0.921 -2.179 1.00 0.47 C ATOM 515 CE2 PHE A 35 -4.096 -0.816 -4.466 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.766 -0.846 -3.129 1.00 0.47 C ATOM 0 H PHE A 35 -7.461 -2.652 -6.191 1.00 0.36 H new ATOM 0 HA PHE A 35 -8.134 -2.897 -3.441 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.993 -0.539 -5.309 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.475 -0.393 -3.631 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.862 -1.017 -1.821 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.678 -0.828 -5.901 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -4.508 -0.948 -1.130 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -3.318 -0.761 -5.213 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.730 -0.811 -2.826 1.00 0.47 H new ATOM 526 N GLU A 36 -10.520 -2.581 -5.627 1.00 0.57 N ATOM 527 CA GLU A 36 -11.952 -2.748 -5.867 1.00 0.76 C ATOM 528 C GLU A 36 -12.481 -3.966 -5.109 1.00 0.74 C ATOM 529 O GLU A 36 -13.571 -3.935 -4.541 1.00 0.87 O ATOM 530 CB GLU A 36 -12.220 -2.962 -7.360 1.00 0.97 C ATOM 531 CG GLU A 36 -11.810 -1.820 -8.260 1.00 1.31 C ATOM 532 CD GLU A 36 -12.529 -0.550 -7.923 1.00 1.56 C ATOM 533 OE1 GLU A 36 -13.746 -0.469 -8.162 1.00 2.06 O ATOM 534 OE2 GLU A 36 -11.882 0.393 -7.419 1.00 1.81 O ATOM 0 H GLU A 36 -9.960 -2.600 -6.479 1.00 0.57 H new ATOM 0 HA GLU A 36 -12.456 -1.845 -5.521 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.696 -3.862 -7.681 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -13.285 -3.147 -7.498 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -10.735 -1.661 -8.176 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -12.012 -2.086 -9.297 1.00 1.31 H new ATOM 541 N ASP A 37 -11.688 -5.025 -5.086 1.00 0.66 N ATOM 542 CA ASP A 37 -12.097 -6.274 -4.453 1.00 0.73 C ATOM 543 C ASP A 37 -11.915 -6.208 -2.972 1.00 0.73 C ATOM 544 O ASP A 37 -12.749 -6.688 -2.213 1.00 0.89 O ATOM 545 CB ASP A 37 -11.326 -7.481 -4.998 1.00 0.75 C ATOM 546 CG ASP A 37 -11.604 -7.757 -6.441 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.776 -8.017 -6.803 1.00 1.28 O ATOM 548 OD2 ASP A 37 -10.675 -7.697 -7.259 1.00 2.20 O ATOM 0 H ASP A 37 -10.755 -5.047 -5.498 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.153 -6.406 -4.689 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.257 -7.310 -4.867 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.582 -8.363 -4.411 1.00 0.75 H new ATOM 553 N ILE A 38 -10.846 -5.575 -2.545 1.00 0.63 N ATOM 554 CA ILE A 38 -10.564 -5.511 -1.135 1.00 0.68 C ATOM 555 C ILE A 38 -11.410 -4.469 -0.389 1.00 0.68 C ATOM 556 O ILE A 38 -11.347 -4.383 0.827 1.00 0.73 O ATOM 557 CB ILE A 38 -9.047 -5.421 -0.787 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.405 -4.177 -1.405 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.327 -6.678 -1.261 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.925 -4.034 -1.100 1.00 0.64 C ATOM 0 H ILE A 38 -10.169 -5.105 -3.145 1.00 0.63 H new ATOM 0 HA ILE A 38 -10.882 -6.482 -0.755 1.00 0.68 H new ATOM 0 HB ILE A 38 -8.953 -5.341 0.296 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.542 -4.208 -2.486 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.928 -3.292 -1.043 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.268 -6.606 -1.014 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -8.756 -7.551 -0.769 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.441 -6.778 -2.340 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.542 -3.129 -1.572 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.780 -3.970 -0.022 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.388 -4.900 -1.487 1.00 0.64 H new ATOM 572 N GLY A 39 -12.239 -3.742 -1.137 1.00 0.69 N ATOM 573 CA GLY A 39 -13.192 -2.798 -0.560 1.00 0.77 C ATOM 574 C GLY A 39 -12.553 -1.586 0.080 1.00 0.65 C ATOM 575 O GLY A 39 -13.082 -1.031 1.043 1.00 0.74 O ATOM 0 H GLY A 39 -12.268 -3.791 -2.155 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.875 -2.465 -1.342 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.792 -3.316 0.188 1.00 0.77 H new ATOM 579 N TYR A 40 -11.459 -1.142 -0.472 1.00 0.52 N ATOM 580 CA TYR A 40 -10.733 -0.023 0.093 1.00 0.47 C ATOM 581 C TYR A 40 -11.209 1.297 -0.431 1.00 0.49 C ATOM 582 O TYR A 40 -11.683 1.408 -1.566 1.00 0.61 O ATOM 583 CB TYR A 40 -9.224 -0.155 -0.126 1.00 0.46 C ATOM 584 CG TYR A 40 -8.517 -1.044 0.874 1.00 0.50 C ATOM 585 CD1 TYR A 40 -9.092 -2.219 1.329 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.268 -0.694 1.366 1.00 0.61 C ATOM 587 CE1 TYR A 40 -8.451 -3.024 2.236 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.615 -1.494 2.274 1.00 0.78 C ATOM 589 CZ TYR A 40 -7.217 -2.668 2.703 1.00 0.81 C ATOM 590 OH TYR A 40 -6.577 -3.489 3.598 1.00 1.02 O ATOM 0 H TYR A 40 -11.043 -1.535 -1.316 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.935 -0.050 1.164 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -9.049 -0.547 -1.128 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.777 0.838 -0.089 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -10.066 -2.508 0.962 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.801 0.221 1.031 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.919 -3.935 2.579 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.643 -1.211 2.650 1.00 0.78 H new ATOM 0 HH TYR A 40 -6.183 -2.948 4.314 1.00 1.02 H new ATOM 600 N ASP A 41 -11.111 2.287 0.413 1.00 0.48 N ATOM 601 CA ASP A 41 -11.420 3.651 0.052 1.00 0.56 C ATOM 602 C ASP A 41 -10.173 4.313 -0.430 1.00 0.45 C ATOM 603 O ASP A 41 -9.073 3.749 -0.326 1.00 0.39 O ATOM 604 CB ASP A 41 -11.906 4.477 1.256 1.00 0.75 C ATOM 605 CG ASP A 41 -13.214 4.050 1.834 1.00 1.11 C ATOM 606 OD1 ASP A 41 -14.254 4.418 1.287 1.00 1.20 O ATOM 607 OD2 ASP A 41 -13.223 3.390 2.889 1.00 2.01 O ATOM 0 H ASP A 41 -10.812 2.173 1.381 1.00 0.48 H new ATOM 0 HA ASP A 41 -12.203 3.612 -0.705 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.149 4.429 2.038 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.985 5.521 0.952 1.00 0.75 H new ATOM 612 N SER A 42 -10.336 5.514 -0.909 1.00 0.57 N ATOM 613 CA SER A 42 -9.252 6.377 -1.265 1.00 0.62 C ATOM 614 C SER A 42 -8.407 6.616 -0.019 1.00 0.53 C ATOM 615 O SER A 42 -7.190 6.405 -0.020 1.00 0.54 O ATOM 616 CB SER A 42 -9.857 7.667 -1.747 1.00 0.83 C ATOM 617 OG SER A 42 -10.939 8.038 -0.817 1.00 1.24 O ATOM 0 H SER A 42 -11.255 5.929 -1.066 1.00 0.57 H new ATOM 0 HA SER A 42 -8.620 5.948 -2.043 1.00 0.62 H new ATOM 0 HB2 SER A 42 -9.101 8.452 -1.785 1.00 0.83 H new ATOM 0 HB3 SER A 42 -10.247 7.551 -2.758 1.00 0.83 H new ATOM 0 HG SER A 42 -11.348 8.879 -1.110 1.00 1.24 H new ATOM 622 N LEU A 43 -9.117 6.991 1.055 1.00 0.53 N ATOM 623 CA LEU A 43 -8.565 7.236 2.386 1.00 0.54 C ATOM 624 C LEU A 43 -7.676 6.096 2.814 1.00 0.45 C ATOM 625 O LEU A 43 -6.528 6.302 3.151 1.00 0.47 O ATOM 626 CB LEU A 43 -9.700 7.363 3.400 1.00 0.68 C ATOM 627 CG LEU A 43 -10.690 8.495 3.187 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.803 8.397 4.212 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.990 9.842 3.296 1.00 0.90 C ATOM 0 H LEU A 43 -10.126 7.136 1.014 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.983 8.157 2.345 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.255 6.425 3.407 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.259 7.480 4.390 1.00 0.68 H new ATOM 0 HG LEU A 43 -11.115 8.410 2.187 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.512 9.210 4.058 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.316 7.442 4.102 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.382 8.469 5.215 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.714 10.642 3.141 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.546 9.942 4.286 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -9.208 9.908 2.539 1.00 0.90 H new ATOM 641 N ALA A 44 -8.217 4.893 2.720 1.00 0.44 N ATOM 642 CA ALA A 44 -7.539 3.669 3.114 1.00 0.41 C ATOM 643 C ALA A 44 -6.191 3.500 2.418 1.00 0.35 C ATOM 644 O ALA A 44 -5.229 3.047 3.023 1.00 0.38 O ATOM 645 CB ALA A 44 -8.436 2.472 2.845 1.00 0.43 C ATOM 0 H ALA A 44 -9.159 4.737 2.360 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.334 3.736 4.182 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -7.922 1.558 3.142 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.358 2.572 3.417 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.672 2.426 1.782 1.00 0.43 H new ATOM 651 N LEU A 45 -6.107 3.892 1.166 1.00 0.34 N ATOM 652 CA LEU A 45 -4.866 3.773 0.439 1.00 0.33 C ATOM 653 C LEU A 45 -3.886 4.896 0.841 1.00 0.32 C ATOM 654 O LEU A 45 -2.671 4.687 0.887 1.00 0.36 O ATOM 655 CB LEU A 45 -5.142 3.757 -1.050 1.00 0.48 C ATOM 656 CG LEU A 45 -3.947 3.520 -1.987 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.883 2.620 -1.357 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.461 2.788 -3.142 1.00 0.37 C ATOM 0 H LEU A 45 -6.879 4.293 0.634 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.385 2.830 0.698 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.884 2.983 -1.247 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.597 4.710 -1.319 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.500 4.485 -2.225 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.060 2.483 -2.059 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.508 3.083 -0.444 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.321 1.651 -1.118 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.648 2.594 -3.841 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.889 1.842 -2.812 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.230 3.382 -3.636 1.00 0.37 H new ATOM 670 N MET A 46 -4.424 6.066 1.183 1.00 0.37 N ATOM 671 CA MET A 46 -3.593 7.201 1.653 1.00 0.46 C ATOM 672 C MET A 46 -2.940 6.756 2.914 1.00 0.48 C ATOM 673 O MET A 46 -1.733 6.865 3.089 1.00 0.54 O ATOM 674 CB MET A 46 -4.447 8.425 2.013 1.00 0.59 C ATOM 675 CG MET A 46 -5.546 8.720 1.058 1.00 0.54 C ATOM 676 SD MET A 46 -6.415 10.260 1.432 1.00 0.89 S ATOM 677 CE MET A 46 -5.081 11.447 1.268 1.00 1.84 C ATOM 0 H MET A 46 -5.424 6.264 1.148 1.00 0.37 H new ATOM 0 HA MET A 46 -2.894 7.477 0.864 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.876 8.273 3.003 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.797 9.298 2.078 1.00 0.59 H new ATOM 0 HG2 MET A 46 -5.137 8.776 0.049 1.00 0.54 H new ATOM 0 HG3 MET A 46 -6.259 7.896 1.068 1.00 0.54 H new ATOM 0 HE1 MET A 46 -5.456 12.352 0.790 1.00 1.84 H new ATOM 0 HE2 MET A 46 -4.690 11.693 2.255 1.00 1.84 H new ATOM 0 HE3 MET A 46 -4.285 11.018 0.659 1.00 1.84 H new ATOM 687 N GLU A 47 -3.788 6.228 3.767 1.00 0.49 N ATOM 688 CA GLU A 47 -3.449 5.652 5.025 1.00 0.55 C ATOM 689 C GLU A 47 -2.365 4.571 4.852 1.00 0.54 C ATOM 690 O GLU A 47 -1.343 4.616 5.521 1.00 0.71 O ATOM 691 CB GLU A 47 -4.739 5.094 5.615 1.00 0.58 C ATOM 692 CG GLU A 47 -5.688 6.150 6.173 1.00 0.82 C ATOM 693 CD GLU A 47 -6.941 5.566 6.806 1.00 1.48 C ATOM 694 OE1 GLU A 47 -7.933 5.328 6.100 1.00 2.31 O ATOM 695 OE2 GLU A 47 -6.959 5.373 8.045 1.00 1.84 O ATOM 0 H GLU A 47 -4.790 6.193 3.579 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.024 6.392 5.704 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.260 4.526 4.844 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.486 4.394 6.411 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -5.159 6.746 6.917 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.978 6.827 5.370 1.00 0.82 H new ATOM 702 N THR A 48 -2.589 3.656 3.905 1.00 0.42 N ATOM 703 CA THR A 48 -1.635 2.586 3.561 1.00 0.42 C ATOM 704 C THR A 48 -0.239 3.171 3.257 1.00 0.39 C ATOM 705 O THR A 48 0.754 2.852 3.937 1.00 0.41 O ATOM 706 CB THR A 48 -2.153 1.830 2.294 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.401 1.190 2.576 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.160 0.791 1.786 1.00 0.45 C ATOM 0 H THR A 48 -3.443 3.633 3.348 1.00 0.42 H new ATOM 0 HA THR A 48 -1.554 1.906 4.409 1.00 0.42 H new ATOM 0 HB THR A 48 -2.281 2.579 1.512 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.049 1.858 2.885 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.570 0.296 0.906 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.223 1.281 1.523 1.00 0.45 H new ATOM 0 HG23 THR A 48 -0.977 0.051 2.565 1.00 0.45 H new ATOM 716 N ALA A 49 -0.195 4.039 2.265 1.00 0.39 N ATOM 717 CA ALA A 49 1.043 4.627 1.773 1.00 0.40 C ATOM 718 C ALA A 49 1.751 5.436 2.846 1.00 0.42 C ATOM 719 O ALA A 49 2.936 5.234 3.093 1.00 0.41 O ATOM 720 CB ALA A 49 0.778 5.482 0.537 1.00 0.43 C ATOM 0 H ALA A 49 -1.026 4.362 1.770 1.00 0.39 H new ATOM 0 HA ALA A 49 1.706 3.808 1.494 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.715 5.913 0.185 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.345 4.862 -0.248 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.084 6.283 0.791 1.00 0.43 H new ATOM 726 N ALA A 50 1.005 6.303 3.520 1.00 0.46 N ATOM 727 CA ALA A 50 1.561 7.178 4.549 1.00 0.51 C ATOM 728 C ALA A 50 2.129 6.381 5.716 1.00 0.49 C ATOM 729 O ALA A 50 3.200 6.712 6.260 1.00 0.49 O ATOM 730 CB ALA A 50 0.513 8.159 5.035 1.00 0.62 C ATOM 0 H ALA A 50 0.003 6.420 3.371 1.00 0.46 H new ATOM 0 HA ALA A 50 2.382 7.736 4.100 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.945 8.803 5.801 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.170 8.769 4.199 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.331 7.612 5.455 1.00 0.62 H new ATOM 736 N ARG A 51 1.445 5.294 6.059 1.00 0.51 N ATOM 737 CA ARG A 51 1.839 4.435 7.160 1.00 0.54 C ATOM 738 C ARG A 51 3.152 3.716 6.790 1.00 0.50 C ATOM 739 O ARG A 51 3.919 3.327 7.653 1.00 0.61 O ATOM 740 CB ARG A 51 0.691 3.435 7.454 1.00 0.62 C ATOM 741 CG ARG A 51 0.627 2.858 8.873 1.00 0.87 C ATOM 742 CD ARG A 51 1.688 1.818 9.159 1.00 1.36 C ATOM 743 NE ARG A 51 1.560 1.299 10.522 1.00 2.18 N ATOM 744 CZ ARG A 51 1.551 0.012 10.862 1.00 3.05 C ATOM 745 NH1 ARG A 51 1.641 -0.932 9.929 1.00 3.48 N ATOM 746 NH2 ARG A 51 1.441 -0.334 12.134 1.00 3.91 N ATOM 0 H ARG A 51 0.600 4.987 5.577 1.00 0.51 H new ATOM 0 HA ARG A 51 2.018 5.016 8.065 1.00 0.54 H new ATOM 0 HB2 ARG A 51 -0.256 3.933 7.246 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.775 2.605 6.753 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.727 3.672 9.591 1.00 0.87 H new ATOM 0 HG3 ARG A 51 -0.356 2.413 9.030 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.602 0.999 8.445 1.00 1.36 H new ATOM 0 HD3 ARG A 51 2.677 2.256 9.024 1.00 1.36 H new ATOM 0 HE ARG A 51 1.470 1.981 11.275 1.00 2.18 H new ATOM 0 HH11 ARG A 51 1.718 -0.672 8.946 1.00 3.48 H new ATOM 0 HH12 ARG A 51 1.633 -1.916 10.197 1.00 3.48 H new ATOM 0 HH21 ARG A 51 1.363 0.385 12.853 1.00 3.91 H new ATOM 0 HH22 ARG A 51 1.434 -1.320 12.396 1.00 3.91 H new ATOM 760 N LEU A 52 3.394 3.557 5.505 1.00 0.41 N ATOM 761 CA LEU A 52 4.636 2.982 5.033 1.00 0.39 C ATOM 762 C LEU A 52 5.734 4.048 4.968 1.00 0.36 C ATOM 763 O LEU A 52 6.863 3.820 5.436 1.00 0.38 O ATOM 764 CB LEU A 52 4.447 2.303 3.670 1.00 0.36 C ATOM 765 CG LEU A 52 3.575 1.037 3.660 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.402 0.521 2.252 1.00 0.41 C ATOM 767 CD2 LEU A 52 4.198 -0.032 4.545 1.00 0.48 C ATOM 0 H LEU A 52 2.743 3.820 4.765 1.00 0.41 H new ATOM 0 HA LEU A 52 4.947 2.217 5.744 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.008 3.027 2.984 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.430 2.046 3.276 1.00 0.36 H new ATOM 0 HG LEU A 52 2.590 1.289 4.053 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.782 -0.375 2.267 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.921 1.285 1.641 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.378 0.280 1.830 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.573 -0.925 4.532 1.00 0.48 H new ATOM 0 HD22 LEU A 52 5.192 -0.279 4.172 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.276 0.341 5.566 1.00 0.48 H new ATOM 779 N GLU A 53 5.388 5.225 4.427 1.00 0.35 N ATOM 780 CA GLU A 53 6.326 6.347 4.275 1.00 0.37 C ATOM 781 C GLU A 53 6.981 6.724 5.587 1.00 0.41 C ATOM 782 O GLU A 53 8.204 6.683 5.707 1.00 0.45 O ATOM 783 CB GLU A 53 5.644 7.588 3.704 1.00 0.40 C ATOM 784 CG GLU A 53 5.091 7.454 2.301 1.00 0.44 C ATOM 785 CD GLU A 53 4.487 8.757 1.842 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.361 9.072 2.255 1.00 0.91 O ATOM 787 OE2 GLU A 53 5.159 9.519 1.114 1.00 0.65 O ATOM 0 H GLU A 53 4.449 5.426 4.082 1.00 0.35 H new ATOM 0 HA GLU A 53 7.088 5.998 3.578 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.828 7.869 4.370 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.361 8.409 3.714 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.886 7.155 1.618 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.336 6.668 2.275 1.00 0.44 H new ATOM 794 N SER A 54 6.158 7.039 6.563 1.00 0.45 N ATOM 795 CA SER A 54 6.605 7.513 7.866 1.00 0.54 C ATOM 796 C SER A 54 7.380 6.420 8.636 1.00 0.52 C ATOM 797 O SER A 54 8.283 6.710 9.422 1.00 0.62 O ATOM 798 CB SER A 54 5.367 7.980 8.665 1.00 0.69 C ATOM 799 OG SER A 54 5.704 8.513 9.936 1.00 1.38 O ATOM 0 H SER A 54 5.144 6.974 6.478 1.00 0.45 H new ATOM 0 HA SER A 54 7.296 8.345 7.728 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.832 8.735 8.089 1.00 0.69 H new ATOM 0 HB3 SER A 54 4.687 7.139 8.797 1.00 0.69 H new ATOM 0 HG SER A 54 4.888 8.795 10.400 1.00 1.38 H new ATOM 805 N ARG A 55 7.055 5.184 8.358 1.00 0.53 N ATOM 806 CA ARG A 55 7.607 4.055 9.081 1.00 0.62 C ATOM 807 C ARG A 55 9.006 3.655 8.561 1.00 0.57 C ATOM 808 O ARG A 55 9.862 3.222 9.331 1.00 0.68 O ATOM 809 CB ARG A 55 6.599 2.918 8.977 1.00 0.78 C ATOM 810 CG ARG A 55 6.866 1.659 9.771 1.00 0.95 C ATOM 811 CD ARG A 55 5.642 0.762 9.665 1.00 1.19 C ATOM 812 NE ARG A 55 5.829 -0.564 10.236 1.00 1.42 N ATOM 813 CZ ARG A 55 5.761 -1.687 9.521 1.00 1.79 C ATOM 814 NH1 ARG A 55 5.436 -1.613 8.244 1.00 1.97 N ATOM 815 NH2 ARG A 55 5.972 -2.875 10.073 1.00 2.41 N ATOM 0 H ARG A 55 6.398 4.925 7.622 1.00 0.53 H new ATOM 0 HA ARG A 55 7.766 4.317 10.127 1.00 0.62 H new ATOM 0 HB2 ARG A 55 5.626 3.305 9.281 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.517 2.639 7.926 1.00 0.78 H new ATOM 0 HG2 ARG A 55 7.747 1.146 9.386 1.00 0.95 H new ATOM 0 HG3 ARG A 55 7.069 1.903 10.814 1.00 0.95 H new ATOM 0 HD2 ARG A 55 4.804 1.247 10.166 1.00 1.19 H new ATOM 0 HD3 ARG A 55 5.369 0.659 8.615 1.00 1.19 H new ATOM 0 HE ARG A 55 6.022 -0.638 11.235 1.00 1.42 H new ATOM 0 HH11 ARG A 55 5.242 -0.706 7.819 1.00 1.97 H new ATOM 0 HH12 ARG A 55 5.379 -2.462 7.682 1.00 1.97 H new ATOM 0 HH21 ARG A 55 6.192 -2.944 11.067 1.00 2.41 H new ATOM 0 HH22 ARG A 55 5.914 -3.719 9.504 1.00 2.41 H new ATOM 829 N TYR A 56 9.241 3.810 7.266 1.00 0.49 N ATOM 830 CA TYR A 56 10.529 3.413 6.690 1.00 0.54 C ATOM 831 C TYR A 56 11.376 4.583 6.197 1.00 0.53 C ATOM 832 O TYR A 56 12.603 4.478 6.127 1.00 0.71 O ATOM 833 CB TYR A 56 10.351 2.367 5.586 1.00 0.57 C ATOM 834 CG TYR A 56 9.853 1.048 6.114 1.00 0.68 C ATOM 835 CD1 TYR A 56 10.733 0.079 6.558 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.496 0.763 6.138 1.00 0.66 C ATOM 837 CE1 TYR A 56 10.282 -1.134 7.009 1.00 1.09 C ATOM 838 CE2 TYR A 56 8.033 -0.449 6.594 1.00 0.82 C ATOM 839 CZ TYR A 56 8.945 -1.356 7.137 1.00 1.02 C ATOM 840 OH TYR A 56 8.479 -2.610 7.477 1.00 1.20 O ATOM 0 H TYR A 56 8.574 4.200 6.600 1.00 0.49 H new ATOM 0 HA TYR A 56 11.085 2.965 7.513 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.649 2.745 4.842 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.303 2.215 5.078 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.794 0.281 6.549 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.791 1.505 5.793 1.00 0.66 H new ATOM 0 HE1 TYR A 56 10.986 -1.913 7.262 1.00 1.09 H new ATOM 0 HE2 TYR A 56 6.983 -0.695 6.533 1.00 0.82 H new ATOM 0 HH TYR A 56 7.508 -2.645 7.347 1.00 1.20 H new ATOM 850 N GLY A 57 10.754 5.679 5.877 1.00 0.44 N ATOM 851 CA GLY A 57 11.499 6.807 5.378 1.00 0.45 C ATOM 852 C GLY A 57 11.506 6.856 3.868 1.00 0.45 C ATOM 853 O GLY A 57 12.564 6.927 3.245 1.00 0.60 O ATOM 0 H GLY A 57 9.746 5.820 5.949 1.00 0.44 H new ATOM 0 HA2 GLY A 57 11.067 7.728 5.769 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.524 6.755 5.744 1.00 0.45 H new ATOM 857 N VAL A 58 10.332 6.769 3.281 1.00 0.37 N ATOM 858 CA VAL A 58 10.198 6.872 1.838 1.00 0.39 C ATOM 859 C VAL A 58 9.335 8.073 1.502 1.00 0.40 C ATOM 860 O VAL A 58 8.991 8.855 2.401 1.00 0.42 O ATOM 861 CB VAL A 58 9.637 5.579 1.154 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.553 4.397 1.392 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.231 5.256 1.628 1.00 0.38 C ATOM 0 H VAL A 58 9.453 6.627 3.779 1.00 0.37 H new ATOM 0 HA VAL A 58 11.203 6.998 1.435 1.00 0.39 H new ATOM 0 HB VAL A 58 9.593 5.778 0.083 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.140 3.513 0.906 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.538 4.611 0.978 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.641 4.215 2.463 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.878 4.353 1.130 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.238 5.097 2.706 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.566 6.086 1.388 1.00 0.38 H new ATOM 873 N SER A 59 8.991 8.239 0.248 1.00 0.46 N ATOM 874 CA SER A 59 8.170 9.349 -0.186 1.00 0.56 C ATOM 875 C SER A 59 7.407 8.995 -1.468 1.00 0.54 C ATOM 876 O SER A 59 8.012 8.567 -2.453 1.00 0.61 O ATOM 877 CB SER A 59 9.054 10.581 -0.434 1.00 0.79 C ATOM 878 OG SER A 59 9.759 10.968 0.744 1.00 1.33 O ATOM 0 H SER A 59 9.272 7.609 -0.503 1.00 0.46 H new ATOM 0 HA SER A 59 7.445 9.569 0.598 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.766 10.364 -1.230 1.00 0.79 H new ATOM 0 HB3 SER A 59 8.435 11.410 -0.777 1.00 0.79 H new ATOM 0 HG SER A 59 10.313 11.753 0.551 1.00 1.33 H new ATOM 884 N ILE A 60 6.101 9.124 -1.428 1.00 0.48 N ATOM 885 CA ILE A 60 5.242 8.925 -2.593 1.00 0.46 C ATOM 886 C ILE A 60 4.354 10.155 -2.759 1.00 0.50 C ATOM 887 O ILE A 60 3.785 10.629 -1.781 1.00 0.58 O ATOM 888 CB ILE A 60 4.334 7.648 -2.461 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.182 6.369 -2.404 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.325 7.561 -3.616 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.367 5.106 -2.232 1.00 1.13 C ATOM 0 H ILE A 60 5.591 9.373 -0.581 1.00 0.48 H new ATOM 0 HA ILE A 60 5.884 8.779 -3.461 1.00 0.46 H new ATOM 0 HB ILE A 60 3.781 7.739 -1.526 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.768 6.291 -3.320 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.890 6.449 -1.579 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.712 6.668 -3.497 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.686 8.444 -3.608 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.861 7.510 -4.564 1.00 0.43 H new ATOM 0 HD11 ILE A 60 5.034 4.244 -2.200 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.802 5.162 -1.302 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.678 5.001 -3.070 1.00 1.13 H new ATOM 903 N PRO A 61 4.269 10.739 -3.970 1.00 0.52 N ATOM 904 CA PRO A 61 3.361 11.856 -4.229 1.00 0.58 C ATOM 905 C PRO A 61 1.915 11.432 -3.973 1.00 0.52 C ATOM 906 O PRO A 61 1.504 10.343 -4.388 1.00 0.45 O ATOM 907 CB PRO A 61 3.585 12.168 -5.707 1.00 0.63 C ATOM 908 CG PRO A 61 4.926 11.603 -6.013 1.00 0.65 C ATOM 909 CD PRO A 61 5.041 10.378 -5.160 1.00 0.56 C ATOM 0 HA PRO A 61 3.545 12.718 -3.587 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.813 11.715 -6.329 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.555 13.241 -5.894 1.00 0.63 H new ATOM 0 HG2 PRO A 61 5.017 11.356 -7.071 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.716 12.318 -5.784 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.631 9.499 -5.657 1.00 0.56 H new ATOM 0 HD3 PRO A 61 6.079 10.151 -4.916 1.00 0.56 H new ATOM 917 N ASP A 62 1.168 12.305 -3.309 1.00 0.64 N ATOM 918 CA ASP A 62 -0.220 12.046 -2.825 1.00 0.72 C ATOM 919 C ASP A 62 -1.083 11.434 -3.921 1.00 0.61 C ATOM 920 O ASP A 62 -1.716 10.396 -3.730 1.00 0.65 O ATOM 921 CB ASP A 62 -0.877 13.369 -2.387 1.00 1.00 C ATOM 922 CG ASP A 62 0.052 14.281 -1.629 1.00 1.28 C ATOM 923 OD1 ASP A 62 0.851 15.004 -2.285 1.00 1.40 O ATOM 924 OD2 ASP A 62 0.018 14.310 -0.399 1.00 1.97 O ATOM 0 H ASP A 62 1.501 13.241 -3.077 1.00 0.64 H new ATOM 0 HA ASP A 62 -0.151 11.351 -1.988 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -1.246 13.892 -3.270 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.743 13.146 -1.764 1.00 1.00 H new ATOM 929 N ASP A 63 -1.067 12.082 -5.069 1.00 0.57 N ATOM 930 CA ASP A 63 -1.828 11.674 -6.257 1.00 0.62 C ATOM 931 C ASP A 63 -1.500 10.243 -6.692 1.00 0.52 C ATOM 932 O ASP A 63 -2.392 9.467 -7.025 1.00 0.65 O ATOM 933 CB ASP A 63 -1.502 12.640 -7.395 1.00 0.78 C ATOM 934 CG ASP A 63 -2.171 12.320 -8.713 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.656 11.466 -9.462 1.00 1.87 O ATOM 936 OD2 ASP A 63 -3.257 12.872 -9.002 1.00 1.94 O ATOM 0 H ASP A 63 -0.515 12.927 -5.216 1.00 0.57 H new ATOM 0 HA ASP A 63 -2.889 11.702 -6.010 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -1.791 13.646 -7.092 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -0.422 12.650 -7.545 1.00 0.78 H new ATOM 941 N VAL A 64 -0.224 9.883 -6.604 1.00 0.42 N ATOM 942 CA VAL A 64 0.272 8.594 -7.096 1.00 0.39 C ATOM 943 C VAL A 64 -0.234 7.410 -6.256 1.00 0.33 C ATOM 944 O VAL A 64 -0.317 6.275 -6.746 1.00 0.37 O ATOM 945 CB VAL A 64 1.831 8.579 -7.215 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.357 7.254 -7.750 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.294 9.716 -8.109 1.00 0.56 C ATOM 0 H VAL A 64 0.498 10.473 -6.191 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.138 8.470 -8.098 1.00 0.39 H new ATOM 0 HB VAL A 64 2.234 8.709 -6.211 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.444 7.294 -7.814 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.062 6.448 -7.078 1.00 0.55 H new ATOM 0 HG13 VAL A 64 1.941 7.071 -8.741 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.381 9.698 -8.187 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.858 9.600 -9.101 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.976 10.667 -7.682 1.00 0.56 H new ATOM 957 N ALA A 65 -0.658 7.690 -5.036 1.00 0.35 N ATOM 958 CA ALA A 65 -1.181 6.665 -4.165 1.00 0.38 C ATOM 959 C ALA A 65 -2.466 6.105 -4.744 1.00 0.43 C ATOM 960 O ALA A 65 -2.689 4.912 -4.738 1.00 0.47 O ATOM 961 CB ALA A 65 -1.424 7.231 -2.787 1.00 0.44 C ATOM 0 H ALA A 65 -0.648 8.625 -4.629 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.453 5.858 -4.083 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.819 6.450 -2.137 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.486 7.605 -2.377 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.143 8.048 -2.851 1.00 0.44 H new ATOM 967 N GLY A 66 -3.263 6.980 -5.332 1.00 0.49 N ATOM 968 CA GLY A 66 -4.526 6.570 -5.893 1.00 0.59 C ATOM 969 C GLY A 66 -4.399 6.176 -7.352 1.00 0.53 C ATOM 970 O GLY A 66 -5.401 5.987 -8.041 1.00 0.69 O ATOM 0 H GLY A 66 -3.054 7.974 -5.430 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -4.920 5.728 -5.323 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.246 7.383 -5.798 1.00 0.59 H new ATOM 974 N ARG A 67 -3.167 6.046 -7.826 1.00 0.45 N ATOM 975 CA ARG A 67 -2.917 5.700 -9.209 1.00 0.45 C ATOM 976 C ARG A 67 -2.607 4.227 -9.351 1.00 0.39 C ATOM 977 O ARG A 67 -2.369 3.745 -10.452 1.00 0.51 O ATOM 978 CB ARG A 67 -1.766 6.530 -9.787 1.00 0.56 C ATOM 979 CG ARG A 67 -2.006 8.026 -9.782 1.00 1.08 C ATOM 980 CD ARG A 67 -3.198 8.403 -10.618 1.00 1.48 C ATOM 981 NE ARG A 67 -3.552 9.807 -10.462 1.00 2.15 N ATOM 982 CZ ARG A 67 -4.723 10.336 -10.819 1.00 2.93 C ATOM 983 NH1 ARG A 67 -5.600 9.614 -11.516 1.00 3.24 N ATOM 984 NH2 ARG A 67 -4.999 11.588 -10.496 1.00 3.83 N ATOM 0 H ARG A 67 -2.325 6.177 -7.266 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.824 5.924 -9.770 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -0.861 6.318 -9.218 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.581 6.208 -10.812 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -2.158 8.366 -8.758 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -1.121 8.537 -10.160 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -2.985 8.197 -11.667 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -4.048 7.781 -10.338 1.00 1.48 H new ATOM 0 HE ARG A 67 -2.856 10.429 -10.051 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -5.376 8.654 -11.778 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -6.495 10.022 -11.787 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -4.318 12.143 -9.977 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -5.893 11.999 -10.766 1.00 3.83 H new ATOM 998 N VAL A 68 -2.590 3.511 -8.253 1.00 0.35 N ATOM 999 CA VAL A 68 -2.331 2.099 -8.324 1.00 0.34 C ATOM 1000 C VAL A 68 -3.637 1.322 -8.330 1.00 0.39 C ATOM 1001 O VAL A 68 -4.678 1.845 -7.880 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.357 1.585 -7.219 1.00 0.32 C ATOM 1003 CG1 VAL A 68 -0.010 2.259 -7.367 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.900 1.815 -5.822 1.00 0.36 C ATOM 0 H VAL A 68 -2.750 3.878 -7.315 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.812 1.922 -9.266 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.250 0.509 -7.353 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.666 1.896 -6.593 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.406 2.030 -8.348 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.130 3.338 -7.267 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.186 1.441 -5.088 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.057 2.882 -5.664 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.847 1.288 -5.709 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.610 0.118 -8.838 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.828 -0.696 -8.923 1.00 0.49 C ATOM 1016 C ASP A 69 -4.684 -1.912 -8.066 1.00 0.40 C ATOM 1017 O ASP A 69 -5.647 -2.404 -7.468 1.00 0.39 O ATOM 1018 CB ASP A 69 -5.078 -1.137 -10.369 1.00 0.68 C ATOM 1019 CG ASP A 69 -6.424 -1.809 -10.576 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -7.473 -1.196 -10.248 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -6.458 -2.939 -11.104 1.00 0.86 O ATOM 0 H ASP A 69 -2.770 -0.333 -9.202 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.669 -0.094 -8.579 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -5.012 -0.267 -11.022 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -4.288 -1.824 -10.672 1.00 0.68 H new ATOM 1026 N THR A 70 -3.479 -2.401 -8.008 1.00 0.38 N ATOM 1027 CA THR A 70 -3.168 -3.572 -7.268 1.00 0.35 C ATOM 1028 C THR A 70 -2.033 -3.269 -6.257 1.00 0.33 C ATOM 1029 O THR A 70 -1.176 -2.399 -6.519 1.00 0.33 O ATOM 1030 CB THR A 70 -2.798 -4.716 -8.254 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.693 -4.316 -9.103 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.999 -5.026 -9.151 1.00 0.47 C ATOM 0 H THR A 70 -2.678 -1.985 -8.484 1.00 0.38 H new ATOM 0 HA THR A 70 -4.032 -3.899 -6.689 1.00 0.35 H new ATOM 0 HB THR A 70 -2.516 -5.593 -7.671 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.830 -3.394 -9.405 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.740 -5.828 -9.842 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.843 -5.337 -8.535 1.00 0.47 H new ATOM 0 HG23 THR A 70 -4.271 -4.134 -9.716 1.00 0.47 H new ATOM 1040 N PRO A 71 -2.018 -3.954 -5.085 1.00 0.34 N ATOM 1041 CA PRO A 71 -1.058 -3.689 -4.002 1.00 0.33 C ATOM 1042 C PRO A 71 0.403 -3.796 -4.434 1.00 0.29 C ATOM 1043 O PRO A 71 1.261 -3.099 -3.894 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.385 -4.760 -2.953 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.796 -5.125 -3.225 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.953 -5.030 -4.713 1.00 0.39 C ATOM 0 HA PRO A 71 -1.156 -2.666 -3.640 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.726 -5.623 -3.048 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.262 -4.375 -1.941 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -3.017 -6.132 -2.870 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.482 -4.450 -2.714 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.701 -5.970 -5.205 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.978 -4.788 -4.995 1.00 0.39 H new ATOM 1054 N ARG A 72 0.676 -4.640 -5.424 1.00 0.31 N ATOM 1055 CA ARG A 72 2.038 -4.842 -5.908 1.00 0.31 C ATOM 1056 C ARG A 72 2.653 -3.569 -6.469 1.00 0.29 C ATOM 1057 O ARG A 72 3.853 -3.346 -6.340 1.00 0.31 O ATOM 1058 CB ARG A 72 2.121 -5.989 -6.922 1.00 0.36 C ATOM 1059 CG ARG A 72 1.199 -5.882 -8.122 1.00 0.48 C ATOM 1060 CD ARG A 72 1.357 -7.100 -9.017 1.00 0.58 C ATOM 1061 NE ARG A 72 2.709 -7.181 -9.586 1.00 1.01 N ATOM 1062 CZ ARG A 72 3.423 -8.314 -9.759 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.967 -9.493 -9.303 1.00 1.35 N ATOM 1064 NH2 ARG A 72 4.598 -8.254 -10.378 1.00 2.47 N ATOM 0 H ARG A 72 -0.029 -5.196 -5.908 1.00 0.31 H new ATOM 0 HA ARG A 72 2.630 -5.125 -5.037 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.148 -6.056 -7.282 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.904 -6.923 -6.403 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.165 -5.799 -7.788 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.426 -4.977 -8.685 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.148 -8.003 -8.444 1.00 0.58 H new ATOM 0 HD3 ARG A 72 0.624 -7.058 -9.823 1.00 0.58 H new ATOM 0 HE ARG A 72 3.146 -6.306 -9.875 1.00 1.01 H new ATOM 0 HH11 ARG A 72 2.070 -9.540 -8.819 1.00 1.35 H new ATOM 0 HH12 ARG A 72 3.517 -10.341 -9.441 1.00 1.35 H new ATOM 0 HH21 ARG A 72 4.951 -7.359 -10.716 1.00 2.47 H new ATOM 0 HH22 ARG A 72 5.146 -9.103 -10.515 1.00 2.47 H new ATOM 1078 N GLU A 73 1.823 -2.724 -7.040 1.00 0.28 N ATOM 1079 CA GLU A 73 2.279 -1.476 -7.621 1.00 0.28 C ATOM 1080 C GLU A 73 2.650 -0.502 -6.509 1.00 0.25 C ATOM 1081 O GLU A 73 3.692 0.134 -6.552 1.00 0.25 O ATOM 1082 CB GLU A 73 1.182 -0.897 -8.464 1.00 0.33 C ATOM 1083 CG GLU A 73 0.696 -1.831 -9.532 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.513 -1.304 -10.216 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -0.363 -0.567 -11.206 1.00 1.24 O ATOM 1086 OE2 GLU A 73 -1.631 -1.603 -9.780 1.00 2.06 O ATOM 0 H GLU A 73 0.818 -2.879 -7.116 1.00 0.28 H new ATOM 0 HA GLU A 73 3.156 -1.656 -8.242 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.345 -0.625 -7.821 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.538 0.022 -8.930 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.488 -1.990 -10.264 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.470 -2.802 -9.091 1.00 0.45 H new ATOM 1093 N LEU A 74 1.790 -0.433 -5.499 1.00 0.27 N ATOM 1094 CA LEU A 74 1.990 0.432 -4.329 1.00 0.27 C ATOM 1095 C LEU A 74 3.286 0.019 -3.648 1.00 0.25 C ATOM 1096 O LEU A 74 4.139 0.845 -3.318 1.00 0.25 O ATOM 1097 CB LEU A 74 0.816 0.209 -3.362 1.00 0.30 C ATOM 1098 CG LEU A 74 0.576 1.250 -2.229 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.622 1.170 -1.133 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.534 2.660 -2.802 1.00 1.00 C ATOM 0 H LEU A 74 0.928 -0.977 -5.463 1.00 0.27 H new ATOM 0 HA LEU A 74 2.040 1.481 -4.621 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.096 0.150 -3.956 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.954 -0.765 -2.893 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.387 1.008 -1.779 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.407 1.917 -0.369 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.604 0.177 -0.684 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.608 1.358 -1.557 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.365 3.375 -1.997 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.482 2.882 -3.292 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.276 2.734 -3.528 1.00 1.00 H new ATOM 1112 N LEU A 75 3.414 -1.275 -3.474 1.00 0.29 N ATOM 1113 CA LEU A 75 4.560 -1.902 -2.877 1.00 0.34 C ATOM 1114 C LEU A 75 5.837 -1.538 -3.644 1.00 0.29 C ATOM 1115 O LEU A 75 6.872 -1.201 -3.053 1.00 0.30 O ATOM 1116 CB LEU A 75 4.338 -3.402 -2.944 1.00 0.49 C ATOM 1117 CG LEU A 75 5.483 -4.272 -2.511 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.744 -4.154 -1.025 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.260 -5.697 -2.935 1.00 0.90 C ATOM 0 H LEU A 75 2.694 -1.941 -3.756 1.00 0.29 H new ATOM 0 HA LEU A 75 4.679 -1.565 -1.847 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.473 -3.646 -2.328 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.082 -3.663 -3.971 1.00 0.49 H new ATOM 0 HG LEU A 75 6.383 -3.918 -3.013 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.579 -4.798 -0.750 1.00 0.43 H new ATOM 0 HD12 LEU A 75 5.987 -3.120 -0.779 1.00 0.43 H new ATOM 0 HD13 LEU A 75 4.854 -4.459 -0.474 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.102 -6.309 -2.611 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.343 -6.072 -2.481 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.174 -5.744 -4.021 1.00 0.90 H new ATOM 1131 N ASP A 76 5.738 -1.559 -4.951 1.00 0.29 N ATOM 1132 CA ASP A 76 6.872 -1.301 -5.816 1.00 0.33 C ATOM 1133 C ASP A 76 7.244 0.178 -5.798 1.00 0.29 C ATOM 1134 O ASP A 76 8.415 0.534 -5.938 1.00 0.33 O ATOM 1135 CB ASP A 76 6.574 -1.794 -7.223 1.00 0.40 C ATOM 1136 CG ASP A 76 7.738 -1.661 -8.163 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.750 -2.390 -7.991 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.635 -0.894 -9.139 1.00 0.63 O ATOM 0 H ASP A 76 4.870 -1.755 -5.449 1.00 0.29 H new ATOM 0 HA ASP A 76 7.736 -1.851 -5.443 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.272 -2.840 -7.177 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.728 -1.236 -7.624 1.00 0.40 H new ATOM 1143 N LEU A 77 6.247 1.038 -5.589 1.00 0.25 N ATOM 1144 CA LEU A 77 6.487 2.474 -5.436 1.00 0.25 C ATOM 1145 C LEU A 77 7.367 2.705 -4.216 1.00 0.26 C ATOM 1146 O LEU A 77 8.339 3.474 -4.258 1.00 0.32 O ATOM 1147 CB LEU A 77 5.169 3.231 -5.259 1.00 0.26 C ATOM 1148 CG LEU A 77 4.193 3.187 -6.420 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.897 3.895 -6.045 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.805 3.821 -7.661 1.00 0.38 C ATOM 0 H LEU A 77 5.266 0.766 -5.522 1.00 0.25 H new ATOM 0 HA LEU A 77 6.981 2.844 -6.334 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.666 2.835 -4.377 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.402 4.275 -5.051 1.00 0.26 H new ATOM 0 HG LEU A 77 3.970 2.144 -6.644 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.205 3.857 -6.886 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.449 3.401 -5.183 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.109 4.935 -5.797 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.089 3.779 -8.482 1.00 0.38 H new ATOM 0 HD22 LEU A 77 5.057 4.861 -7.452 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.708 3.278 -7.939 1.00 0.38 H new ATOM 1162 N ILE A 78 7.025 2.001 -3.144 1.00 0.25 N ATOM 1163 CA ILE A 78 7.785 2.024 -1.900 1.00 0.29 C ATOM 1164 C ILE A 78 9.217 1.563 -2.182 1.00 0.34 C ATOM 1165 O ILE A 78 10.177 2.248 -1.835 1.00 0.40 O ATOM 1166 CB ILE A 78 7.142 1.080 -0.834 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.708 1.526 -0.493 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.998 1.002 0.440 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.618 2.892 0.159 1.00 0.46 C ATOM 0 H ILE A 78 6.206 1.393 -3.113 1.00 0.25 H new ATOM 0 HA ILE A 78 7.782 3.041 -1.508 1.00 0.29 H new ATOM 0 HB ILE A 78 7.098 0.082 -1.270 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.115 1.533 -1.408 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.259 0.788 0.172 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.520 0.337 1.159 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.987 0.617 0.191 1.00 0.43 H new ATOM 0 HG23 ILE A 78 8.095 1.997 0.875 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.574 3.128 0.366 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.181 2.887 1.093 1.00 0.46 H new ATOM 0 HD13 ILE A 78 6.034 3.644 -0.512 1.00 0.46 H new ATOM 1181 N ASN A 79 9.338 0.395 -2.809 1.00 0.37 N ATOM 1182 CA ASN A 79 10.639 -0.199 -3.155 1.00 0.46 C ATOM 1183 C ASN A 79 11.482 0.750 -4.013 1.00 0.40 C ATOM 1184 O ASN A 79 12.704 0.847 -3.828 1.00 0.45 O ATOM 1185 CB ASN A 79 10.476 -1.542 -3.900 1.00 0.62 C ATOM 1186 CG ASN A 79 9.787 -2.643 -3.098 1.00 0.84 C ATOM 1187 OD1 ASN A 79 9.134 -3.515 -3.669 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.922 -2.619 -1.790 1.00 0.56 N ATOM 0 H ASN A 79 8.539 -0.171 -3.094 1.00 0.37 H new ATOM 0 HA ASN A 79 11.153 -0.379 -2.211 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.907 -1.367 -4.813 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.462 -1.895 -4.202 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.478 -3.338 -1.218 1.00 0.56 H new ATOM 0 HD22 ASN A 79 10.471 -1.882 -1.347 1.00 0.56 H new ATOM 1195 N GLY A 80 10.832 1.430 -4.938 1.00 0.38 N ATOM 1196 CA GLY A 80 11.507 2.377 -5.792 1.00 0.41 C ATOM 1197 C GLY A 80 12.059 3.551 -5.012 1.00 0.45 C ATOM 1198 O GLY A 80 13.273 3.790 -5.012 1.00 0.55 O ATOM 0 H GLY A 80 9.831 1.340 -5.115 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.320 1.876 -6.317 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.813 2.740 -6.551 1.00 0.41 H new ATOM 1202 N ALA A 81 11.176 4.231 -4.292 1.00 0.44 N ATOM 1203 CA ALA A 81 11.530 5.420 -3.515 1.00 0.51 C ATOM 1204 C ALA A 81 12.595 5.121 -2.460 1.00 0.54 C ATOM 1205 O ALA A 81 13.497 5.923 -2.233 1.00 0.69 O ATOM 1206 CB ALA A 81 10.293 6.001 -2.855 1.00 0.52 C ATOM 0 H ALA A 81 10.191 3.976 -4.228 1.00 0.44 H new ATOM 0 HA ALA A 81 11.950 6.149 -4.208 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.569 6.885 -2.280 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.568 6.278 -3.621 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.853 5.258 -2.190 1.00 0.52 H new ATOM 1212 N LEU A 82 12.496 3.957 -1.844 1.00 0.44 N ATOM 1213 CA LEU A 82 13.406 3.536 -0.809 1.00 0.50 C ATOM 1214 C LEU A 82 14.825 3.393 -1.354 1.00 0.60 C ATOM 1215 O LEU A 82 15.787 3.885 -0.751 1.00 0.70 O ATOM 1216 CB LEU A 82 12.913 2.209 -0.220 1.00 0.48 C ATOM 1217 CG LEU A 82 13.765 1.602 0.873 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.844 2.516 2.090 1.00 0.60 C ATOM 1219 CD2 LEU A 82 13.258 0.229 1.260 1.00 0.66 C ATOM 0 H LEU A 82 11.770 3.273 -2.056 1.00 0.44 H new ATOM 0 HA LEU A 82 13.433 4.293 -0.025 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.909 2.362 0.175 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.830 1.485 -1.031 1.00 0.48 H new ATOM 0 HG LEU A 82 14.774 1.490 0.477 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.464 2.049 2.856 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.283 3.471 1.800 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.842 2.683 2.486 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.889 -0.183 2.047 1.00 0.66 H new ATOM 0 HD22 LEU A 82 12.233 0.308 1.621 1.00 0.66 H new ATOM 0 HD23 LEU A 82 13.287 -0.428 0.391 1.00 0.66 H new ATOM 1231 N ALA A 83 14.939 2.791 -2.525 1.00 0.64 N ATOM 1232 CA ALA A 83 16.229 2.553 -3.129 1.00 0.79 C ATOM 1233 C ALA A 83 16.856 3.842 -3.672 1.00 0.95 C ATOM 1234 O ALA A 83 18.069 3.892 -3.906 1.00 1.13 O ATOM 1235 CB ALA A 83 16.152 1.471 -4.201 1.00 0.86 C ATOM 0 H ALA A 83 14.147 2.458 -3.075 1.00 0.64 H new ATOM 0 HA ALA A 83 16.888 2.188 -2.341 1.00 0.79 H new ATOM 0 HB1 ALA A 83 17.140 1.317 -4.635 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.803 0.540 -3.754 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.457 1.781 -4.982 1.00 0.86 H new ATOM 1241 N GLU A 84 16.048 4.870 -3.886 1.00 0.95 N ATOM 1242 CA GLU A 84 16.555 6.141 -4.307 1.00 1.17 C ATOM 1243 C GLU A 84 17.019 6.945 -3.093 1.00 1.25 C ATOM 1244 O GLU A 84 18.027 7.659 -3.147 1.00 1.52 O ATOM 1245 CB GLU A 84 15.489 6.903 -5.074 1.00 1.23 C ATOM 1246 CG GLU A 84 15.055 6.241 -6.363 1.00 1.40 C ATOM 1247 CD GLU A 84 14.095 7.086 -7.158 1.00 1.80 C ATOM 1248 OE1 GLU A 84 12.906 7.161 -6.788 1.00 2.47 O ATOM 1249 OE2 GLU A 84 14.506 7.717 -8.136 1.00 2.17 O ATOM 0 H GLU A 84 15.035 4.835 -3.771 1.00 0.95 H new ATOM 0 HA GLU A 84 17.407 5.982 -4.968 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.617 7.029 -4.433 1.00 1.23 H new ATOM 0 HB3 GLU A 84 15.865 7.901 -5.301 1.00 1.23 H new ATOM 0 HG2 GLU A 84 15.934 6.028 -6.971 1.00 1.40 H new ATOM 0 HG3 GLU A 84 14.586 5.284 -6.135 1.00 1.40 H new