USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 298 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 38 SER OG : rot 35:sc= 0.104 USER MOD Single : A 47 THR OG1 : rot -43:sc= 0.219 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -8.08! C(o=-8.1!,f=-14!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -4.67! C(o=-4.7!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 38 -7.816 -8.316 8.316 1.00 0.00 N ATOM 9 CA SER A 38 -6.517 -7.669 8.245 1.00 0.00 C ATOM 10 C SER A 38 -5.548 -8.528 7.430 1.00 0.00 C ATOM 11 O SER A 38 -4.471 -8.879 7.908 1.00 0.00 O ATOM 12 CB SER A 38 -5.952 -7.414 9.644 1.00 0.00 C ATOM 13 OG SER A 38 -6.870 -6.703 10.469 1.00 0.00 O ATOM 0 HA SER A 38 -6.641 -6.705 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.704 -8.366 10.114 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.024 -6.848 9.563 1.00 0.00 H new ATOM 0 HG SER A 38 -7.785 -6.983 10.257 1.00 0.00 H new ATOM 19 N ILE A 39 -5.967 -8.842 6.213 1.00 0.00 N ATOM 20 CA ILE A 39 -5.150 -9.654 5.327 1.00 0.00 C ATOM 21 C ILE A 39 -4.941 -8.908 4.007 1.00 0.00 C ATOM 22 O ILE A 39 -3.829 -8.865 3.483 1.00 0.00 O ATOM 23 CB ILE A 39 -5.763 -11.045 5.156 1.00 0.00 C ATOM 24 CG1 ILE A 39 -5.682 -11.843 6.459 1.00 0.00 C ATOM 25 CG2 ILE A 39 -5.117 -11.790 3.986 1.00 0.00 C ATOM 26 CD1 ILE A 39 -4.249 -11.875 6.994 1.00 0.00 C ATOM 0 H ILE A 39 -6.861 -8.549 5.820 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.164 -9.817 5.762 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.820 -10.925 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.342 -11.398 7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.033 -12.861 6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.571 -12.776 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.270 -11.226 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.048 -11.900 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.219 -12.448 7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.596 -12.342 6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.910 -10.857 7.186 1.00 0.00 H new ATOM 38 N ASP A 40 -6.029 -8.340 3.507 1.00 0.00 N ATOM 39 CA ASP A 40 -5.979 -7.599 2.258 1.00 0.00 C ATOM 40 C ASP A 40 -5.137 -6.336 2.453 1.00 0.00 C ATOM 41 O ASP A 40 -4.514 -5.850 1.511 1.00 0.00 O ATOM 42 CB ASP A 40 -7.380 -7.169 1.817 1.00 0.00 C ATOM 43 CG ASP A 40 -7.856 -7.778 0.497 1.00 0.00 C ATOM 44 OD1 ASP A 40 -7.406 -8.904 0.196 1.00 0.00 O ATOM 45 OD2 ASP A 40 -8.661 -7.103 -0.182 1.00 0.00 O ATOM 0 H ASP A 40 -6.950 -8.378 3.944 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.544 -8.248 1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.089 -7.436 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.399 -6.083 1.727 1.00 0.00 H new ATOM 50 N ARG A 41 -5.146 -5.841 3.682 1.00 0.00 N ATOM 51 CA ARG A 41 -4.391 -4.645 4.013 1.00 0.00 C ATOM 52 C ARG A 41 -3.066 -5.021 4.681 1.00 0.00 C ATOM 53 O ARG A 41 -2.160 -4.195 4.777 1.00 0.00 O ATOM 54 CB ARG A 41 -5.186 -3.733 4.950 1.00 0.00 C ATOM 55 CG ARG A 41 -5.428 -4.411 6.299 1.00 0.00 C ATOM 56 CD ARG A 41 -5.526 -3.377 7.423 1.00 0.00 C ATOM 57 NE ARG A 41 -6.946 -3.082 7.717 1.00 0.00 N ATOM 58 CZ ARG A 41 -7.355 -2.169 8.609 1.00 0.00 C ATOM 59 NH1 ARG A 41 -6.454 -1.458 9.300 1.00 0.00 N ATOM 60 NH2 ARG A 41 -8.664 -1.968 8.810 1.00 0.00 N ATOM 0 H ARG A 41 -5.665 -6.247 4.461 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.194 -4.110 3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.644 -2.799 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.141 -3.477 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.347 -4.995 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.617 -5.108 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.031 -3.753 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.008 -2.463 7.133 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.658 -3.606 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.457 -1.612 9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.765 -0.763 9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.350 -2.510 8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.975 -1.273 9.489 1.00 0.00 H new ATOM 74 N LEU A 42 -2.997 -6.267 5.124 1.00 0.00 N ATOM 75 CA LEU A 42 -1.799 -6.762 5.780 1.00 0.00 C ATOM 76 C LEU A 42 -0.575 -6.406 4.934 1.00 0.00 C ATOM 77 O LEU A 42 0.526 -6.255 5.461 1.00 0.00 O ATOM 78 CB LEU A 42 -1.928 -8.258 6.075 1.00 0.00 C ATOM 79 CG LEU A 42 -0.619 -9.048 6.120 1.00 0.00 C ATOM 80 CD1 LEU A 42 0.276 -8.562 7.262 1.00 0.00 C ATOM 81 CD2 LEU A 42 -0.889 -10.552 6.205 1.00 0.00 C ATOM 0 H LEU A 42 -3.751 -6.949 5.042 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.669 -6.280 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.434 -8.377 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.572 -8.703 5.317 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.080 -8.869 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.200 -9.140 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.510 -7.507 7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.243 -8.692 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.058 -11.091 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.459 -10.769 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.459 -10.869 5.332 1.00 0.00 H new ATOM 93 N ILE A 43 -0.809 -6.282 3.635 1.00 0.00 N ATOM 94 CA ILE A 43 0.261 -5.946 2.711 1.00 0.00 C ATOM 95 C ILE A 43 0.864 -4.596 3.104 1.00 0.00 C ATOM 96 O ILE A 43 2.061 -4.373 2.930 1.00 0.00 O ATOM 97 CB ILE A 43 -0.244 -5.997 1.267 1.00 0.00 C ATOM 98 CG1 ILE A 43 -0.994 -7.303 0.995 1.00 0.00 C ATOM 99 CG2 ILE A 43 0.903 -5.778 0.278 1.00 0.00 C ATOM 100 CD1 ILE A 43 -2.259 -7.046 0.173 1.00 0.00 C ATOM 0 H ILE A 43 -1.723 -6.408 3.201 1.00 0.00 H new ATOM 0 HA ILE A 43 1.062 -6.683 2.771 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.954 -5.182 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.344 -7.996 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.260 -7.778 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.518 -5.819 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.356 -4.802 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.654 -6.556 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.774 -7.990 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.918 -6.372 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.988 -6.593 -0.781 1.00 0.00 H new ATOM 112 N ASP A 44 0.007 -3.731 3.627 1.00 0.00 N ATOM 113 CA ASP A 44 0.440 -2.409 4.046 1.00 0.00 C ATOM 114 C ASP A 44 1.630 -2.545 4.998 1.00 0.00 C ATOM 115 O ASP A 44 2.529 -1.705 4.999 1.00 0.00 O ATOM 116 CB ASP A 44 -0.677 -1.673 4.788 1.00 0.00 C ATOM 117 CG ASP A 44 -0.226 -0.447 5.585 1.00 0.00 C ATOM 118 OD1 ASP A 44 0.134 0.555 4.930 1.00 0.00 O ATOM 119 OD2 ASP A 44 -0.251 -0.540 6.831 1.00 0.00 O ATOM 0 H ASP A 44 -0.985 -3.920 3.770 1.00 0.00 H new ATOM 0 HA ASP A 44 0.713 -1.845 3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.429 -1.360 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.162 -2.372 5.469 1.00 0.00 H new ATOM 124 N ARG A 45 1.598 -3.610 5.786 1.00 0.00 N ATOM 125 CA ARG A 45 2.662 -3.867 6.741 1.00 0.00 C ATOM 126 C ARG A 45 3.850 -4.535 6.045 1.00 0.00 C ATOM 127 O ARG A 45 4.964 -4.529 6.567 1.00 0.00 O ATOM 128 CB ARG A 45 2.176 -4.765 7.880 1.00 0.00 C ATOM 129 CG ARG A 45 0.674 -4.589 8.114 1.00 0.00 C ATOM 130 CD ARG A 45 0.284 -3.110 8.080 1.00 0.00 C ATOM 131 NE ARG A 45 -0.482 -2.760 9.297 1.00 0.00 N ATOM 132 CZ ARG A 45 0.058 -2.649 10.518 1.00 0.00 C ATOM 133 NH1 ARG A 45 1.370 -2.860 10.693 1.00 0.00 N ATOM 134 NH2 ARG A 45 -0.714 -2.327 11.565 1.00 0.00 N ATOM 0 H ARG A 45 0.851 -4.305 5.782 1.00 0.00 H new ATOM 0 HA ARG A 45 2.972 -2.908 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.391 -5.807 7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.720 -4.526 8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.117 -5.133 7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.399 -5.019 9.077 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.179 -2.491 8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.314 -2.903 7.192 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.484 -2.593 9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.958 -3.105 9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.781 -2.775 11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.712 -2.167 11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.303 -2.242 12.495 1.00 0.00 H new ATOM 148 N ILE A 46 3.571 -5.096 4.878 1.00 0.00 N ATOM 149 CA ILE A 46 4.603 -5.767 4.105 1.00 0.00 C ATOM 150 C ILE A 46 5.222 -4.774 3.119 1.00 0.00 C ATOM 151 O ILE A 46 6.360 -4.953 2.685 1.00 0.00 O ATOM 152 CB ILE A 46 4.041 -7.025 3.439 1.00 0.00 C ATOM 153 CG1 ILE A 46 3.110 -7.780 4.391 1.00 0.00 C ATOM 154 CG2 ILE A 46 5.167 -7.916 2.912 1.00 0.00 C ATOM 155 CD1 ILE A 46 3.910 -8.631 5.379 1.00 0.00 C ATOM 0 H ILE A 46 2.646 -5.100 4.449 1.00 0.00 H new ATOM 0 HA ILE A 46 5.405 -6.111 4.758 1.00 0.00 H new ATOM 0 HB ILE A 46 3.444 -6.719 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.489 -7.070 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.437 -8.418 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.740 -8.803 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.754 -7.364 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.810 -8.216 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.225 -9.157 6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.512 -9.356 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.564 -7.987 5.967 1.00 0.00 H new ATOM 167 N THR A 47 4.447 -3.750 2.794 1.00 0.00 N ATOM 168 CA THR A 47 4.906 -2.729 1.867 1.00 0.00 C ATOM 169 C THR A 47 5.116 -1.401 2.598 1.00 0.00 C ATOM 170 O THR A 47 5.587 -0.431 2.007 1.00 0.00 O ATOM 171 CB THR A 47 3.894 -2.640 0.723 1.00 0.00 C ATOM 172 OG1 THR A 47 4.588 -1.933 -0.300 1.00 0.00 O ATOM 173 CG2 THR A 47 2.707 -1.736 1.061 1.00 0.00 C ATOM 0 H THR A 47 3.504 -3.605 3.156 1.00 0.00 H new ATOM 0 HA THR A 47 5.876 -2.987 1.442 1.00 0.00 H new ATOM 0 HB THR A 47 3.532 -3.639 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.080 -1.184 0.096 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.019 -1.708 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.190 -2.127 1.937 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.065 -0.728 1.271 1.00 0.00 H new ATOM 181 N GLU A 48 4.755 -1.401 3.873 1.00 0.00 N ATOM 182 CA GLU A 48 4.898 -0.208 4.691 1.00 0.00 C ATOM 183 C GLU A 48 6.166 0.554 4.301 1.00 0.00 C ATOM 184 O GLU A 48 6.193 1.783 4.340 1.00 0.00 O ATOM 185 CB GLU A 48 4.906 -0.562 6.179 1.00 0.00 C ATOM 186 CG GLU A 48 6.308 -0.968 6.638 1.00 0.00 C ATOM 187 CD GLU A 48 7.116 0.253 7.080 1.00 0.00 C ATOM 188 OE1 GLU A 48 6.577 1.023 7.904 1.00 0.00 O ATOM 189 OE2 GLU A 48 8.255 0.390 6.583 1.00 0.00 O ATOM 0 H GLU A 48 4.364 -2.208 4.360 1.00 0.00 H new ATOM 0 HA GLU A 48 4.039 0.439 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.562 0.292 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.208 -1.378 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.233 -1.677 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.827 -1.477 5.826 1.00 0.00 H new ATOM 196 N ARG A 49 7.187 -0.208 3.934 1.00 0.00 N ATOM 197 CA ARG A 49 8.455 0.380 3.538 1.00 0.00 C ATOM 198 C ARG A 49 8.220 1.566 2.601 1.00 0.00 C ATOM 199 O ARG A 49 9.048 2.473 2.522 1.00 0.00 O ATOM 200 CB ARG A 49 9.343 -0.648 2.835 1.00 0.00 C ATOM 201 CG ARG A 49 8.687 -1.151 1.548 1.00 0.00 C ATOM 202 CD ARG A 49 9.544 -0.811 0.327 1.00 0.00 C ATOM 203 NE ARG A 49 10.416 -1.957 -0.015 1.00 0.00 N ATOM 204 CZ ARG A 49 10.954 -2.157 -1.226 1.00 0.00 C ATOM 205 NH1 ARG A 49 10.715 -1.288 -2.217 1.00 0.00 N ATOM 206 NH2 ARG A 49 11.733 -3.225 -1.445 1.00 0.00 N ATOM 0 H ARG A 49 7.161 -1.227 3.903 1.00 0.00 H new ATOM 0 HA ARG A 49 8.959 0.721 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.310 -0.201 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.532 -1.488 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.543 -2.230 1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.699 -0.703 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.903 -0.565 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.152 0.070 0.533 1.00 0.00 H new ATOM 0 HE ARG A 49 10.620 -2.637 0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.124 -0.474 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.125 -1.440 -3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.917 -3.886 -0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.142 -3.377 -2.367 1.00 0.00 H new ATOM 220 N ALA A 50 7.088 1.522 1.914 1.00 0.00 N ATOM 221 CA ALA A 50 6.734 2.581 0.985 1.00 0.00 C ATOM 222 C ALA A 50 6.244 3.800 1.770 1.00 0.00 C ATOM 223 O ALA A 50 6.937 4.813 1.846 1.00 0.00 O ATOM 224 CB ALA A 50 5.686 2.065 -0.003 1.00 0.00 C ATOM 0 H ALA A 50 6.404 0.769 1.982 1.00 0.00 H new ATOM 0 HA ALA A 50 7.604 2.889 0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.421 2.860 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.093 1.218 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.797 1.749 0.542 1.00 0.00 H new ATOM 230 N GLU A 51 5.054 3.660 2.335 1.00 0.00 N ATOM 231 CA GLU A 51 4.464 4.737 3.112 1.00 0.00 C ATOM 232 C GLU A 51 5.441 5.212 4.189 1.00 0.00 C ATOM 233 O GLU A 51 5.310 6.321 4.706 1.00 0.00 O ATOM 234 CB GLU A 51 3.135 4.301 3.732 1.00 0.00 C ATOM 235 CG GLU A 51 3.350 3.199 4.773 1.00 0.00 C ATOM 236 CD GLU A 51 2.855 3.643 6.151 1.00 0.00 C ATOM 237 OE1 GLU A 51 1.618 3.675 6.326 1.00 0.00 O ATOM 238 OE2 GLU A 51 3.725 3.939 6.998 1.00 0.00 O ATOM 0 H GLU A 51 4.482 2.818 2.270 1.00 0.00 H new ATOM 0 HA GLU A 51 4.259 5.572 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.649 5.158 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.465 3.942 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.822 2.296 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.409 2.946 4.827 1.00 0.00 H new ATOM 245 N ASP A 52 6.399 4.350 4.495 1.00 0.00 N ATOM 246 CA ASP A 52 7.399 4.668 5.501 1.00 0.00 C ATOM 247 C ASP A 52 8.318 5.770 4.970 1.00 0.00 C ATOM 248 O ASP A 52 8.973 6.464 5.746 1.00 0.00 O ATOM 249 CB ASP A 52 8.262 3.447 5.825 1.00 0.00 C ATOM 250 CG ASP A 52 9.387 3.699 6.831 1.00 0.00 C ATOM 251 OD1 ASP A 52 9.051 4.064 7.978 1.00 0.00 O ATOM 252 OD2 ASP A 52 10.557 3.520 6.430 1.00 0.00 O ATOM 0 H ASP A 52 6.504 3.431 4.064 1.00 0.00 H new ATOM 0 HA ASP A 52 6.879 4.991 6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.618 2.658 6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.700 3.074 4.899 1.00 0.00 H new ATOM 257 N SER A 53 8.337 5.896 3.651 1.00 0.00 N ATOM 258 CA SER A 53 9.165 6.902 3.008 1.00 0.00 C ATOM 259 C SER A 53 8.303 7.795 2.113 1.00 0.00 C ATOM 260 O SER A 53 8.808 8.725 1.487 1.00 0.00 O ATOM 261 CB SER A 53 10.284 6.254 2.191 1.00 0.00 C ATOM 262 OG SER A 53 11.404 5.907 3.001 1.00 0.00 O ATOM 0 H SER A 53 7.793 5.318 3.010 1.00 0.00 H new ATOM 0 HA SER A 53 9.626 7.513 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.902 5.360 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.603 6.939 1.406 1.00 0.00 H new ATOM 0 HG SER A 53 12.096 5.495 2.443 1.00 0.00 H new ATOM 268 N GLY A 54 7.016 7.480 2.081 1.00 0.00 N ATOM 269 CA GLY A 54 6.079 8.242 1.273 1.00 0.00 C ATOM 270 C GLY A 54 5.550 7.402 0.108 1.00 0.00 C ATOM 271 O GLY A 54 4.678 7.846 -0.636 1.00 0.00 O ATOM 0 H GLY A 54 6.600 6.708 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.247 8.576 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.569 9.136 0.888 1.00 0.00 H new ATOM 275 N ASN A 55 6.101 6.203 -0.013 1.00 0.00 N ATOM 276 CA ASN A 55 5.696 5.297 -1.074 1.00 0.00 C ATOM 277 C ASN A 55 6.333 5.744 -2.392 1.00 0.00 C ATOM 278 O ASN A 55 7.007 4.960 -3.057 1.00 0.00 O ATOM 279 CB ASN A 55 4.177 5.307 -1.257 1.00 0.00 C ATOM 280 CG ASN A 55 3.462 5.219 0.093 1.00 0.00 C ATOM 281 OD1 ASN A 55 3.284 4.154 0.663 1.00 0.00 O ATOM 282 ND2 ASN A 55 3.063 6.394 0.572 1.00 0.00 N ATOM 0 H ASN A 55 6.825 5.838 0.606 1.00 0.00 H new ATOM 0 HA ASN A 55 6.020 4.293 -0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.875 6.218 -1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.877 4.469 -1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.576 6.441 1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.244 7.248 0.044 1.00 0.00 H new ATOM 289 N GLU A 56 6.096 7.003 -2.729 1.00 0.00 N ATOM 290 CA GLU A 56 6.638 7.564 -3.955 1.00 0.00 C ATOM 291 C GLU A 56 8.151 7.752 -3.829 1.00 0.00 C ATOM 292 O GLU A 56 8.637 8.880 -3.765 1.00 0.00 O ATOM 293 CB GLU A 56 5.949 8.884 -4.306 1.00 0.00 C ATOM 294 CG GLU A 56 4.442 8.687 -4.478 1.00 0.00 C ATOM 295 CD GLU A 56 3.715 10.033 -4.525 1.00 0.00 C ATOM 296 OE1 GLU A 56 3.858 10.790 -3.541 1.00 0.00 O ATOM 297 OE2 GLU A 56 3.033 10.274 -5.544 1.00 0.00 O ATOM 0 H GLU A 56 5.536 7.651 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 56 6.445 6.864 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.136 9.616 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.374 9.287 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.247 8.132 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.053 8.088 -3.654 1.00 0.00 H new ATOM 304 N SER A 57 8.854 6.629 -3.797 1.00 0.00 N ATOM 305 CA SER A 57 10.302 6.656 -3.680 1.00 0.00 C ATOM 306 C SER A 57 10.889 5.319 -4.137 1.00 0.00 C ATOM 307 O SER A 57 11.895 5.288 -4.844 1.00 0.00 O ATOM 308 CB SER A 57 10.733 6.961 -2.244 1.00 0.00 C ATOM 309 OG SER A 57 11.740 7.968 -2.191 1.00 0.00 O ATOM 0 H SER A 57 8.448 5.695 -3.850 1.00 0.00 H new ATOM 0 HA SER A 57 10.682 7.451 -4.322 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.867 7.284 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.106 6.050 -1.776 1.00 0.00 H new ATOM 0 HG SER A 57 11.987 8.135 -1.257 1.00 0.00 H new ATOM 315 N GLU A 58 10.235 4.247 -3.715 1.00 0.00 N ATOM 316 CA GLU A 58 10.679 2.910 -4.073 1.00 0.00 C ATOM 317 C GLU A 58 9.477 1.984 -4.263 1.00 0.00 C ATOM 318 O GLU A 58 9.607 0.764 -4.172 1.00 0.00 O ATOM 319 CB GLU A 58 11.641 2.352 -3.021 1.00 0.00 C ATOM 320 CG GLU A 58 13.096 2.583 -3.431 1.00 0.00 C ATOM 321 CD GLU A 58 14.003 1.481 -2.879 1.00 0.00 C ATOM 322 OE1 GLU A 58 14.404 1.613 -1.703 1.00 0.00 O ATOM 323 OE2 GLU A 58 14.275 0.533 -3.647 1.00 0.00 O ATOM 0 H GLU A 58 9.401 4.277 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 58 11.220 2.969 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.450 2.829 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.462 1.285 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.171 2.610 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.431 3.553 -3.064 1.00 0.00 H new ATOM 330 N GLY A 59 8.332 2.599 -4.523 1.00 0.00 N ATOM 331 CA GLY A 59 7.107 1.844 -4.727 1.00 0.00 C ATOM 332 C GLY A 59 7.348 0.645 -5.645 1.00 0.00 C ATOM 333 O GLY A 59 7.812 -0.402 -5.196 1.00 0.00 O ATOM 0 H GLY A 59 8.227 3.611 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.724 1.500 -3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.345 2.491 -5.161 1.00 0.00 H new ATOM 337 N ASP A 60 7.022 0.837 -6.915 1.00 0.00 N ATOM 338 CA ASP A 60 7.197 -0.216 -7.900 1.00 0.00 C ATOM 339 C ASP A 60 6.232 -1.363 -7.592 1.00 0.00 C ATOM 340 O ASP A 60 5.262 -1.575 -8.318 1.00 0.00 O ATOM 341 CB ASP A 60 8.621 -0.773 -7.864 1.00 0.00 C ATOM 342 CG ASP A 60 9.372 -0.718 -9.196 1.00 0.00 C ATOM 343 OD1 ASP A 60 8.687 -0.814 -10.237 1.00 0.00 O ATOM 344 OD2 ASP A 60 10.613 -0.582 -9.143 1.00 0.00 O ATOM 0 H ASP A 60 6.638 1.707 -7.284 1.00 0.00 H new ATOM 0 HA ASP A 60 7.001 0.208 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.193 -0.219 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.581 -1.810 -7.529 1.00 0.00 H new ATOM 349 N GLN A 61 6.532 -2.072 -6.514 1.00 0.00 N ATOM 350 CA GLN A 61 5.704 -3.192 -6.100 1.00 0.00 C ATOM 351 C GLN A 61 4.227 -2.878 -6.345 1.00 0.00 C ATOM 352 O GLN A 61 3.469 -3.743 -6.783 1.00 0.00 O ATOM 353 CB GLN A 61 5.953 -3.546 -4.633 1.00 0.00 C ATOM 354 CG GLN A 61 5.019 -4.667 -4.173 1.00 0.00 C ATOM 355 CD GLN A 61 5.809 -5.926 -3.812 1.00 0.00 C ATOM 356 OE1 GLN A 61 6.107 -6.194 -2.660 1.00 0.00 O ATOM 357 NE2 GLN A 61 6.131 -6.681 -4.858 1.00 0.00 N ATOM 0 H GLN A 61 7.337 -1.893 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 61 5.976 -4.061 -6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.990 -3.855 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.801 -2.663 -4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.444 -4.334 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.304 -4.896 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.850 -6.398 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.659 -7.543 -4.722 1.00 0.00 H new ATOM 366 N GLU A 62 3.861 -1.639 -6.052 1.00 0.00 N ATOM 367 CA GLU A 62 2.488 -1.200 -6.235 1.00 0.00 C ATOM 368 C GLU A 62 2.077 -1.340 -7.702 1.00 0.00 C ATOM 369 O GLU A 62 2.547 -2.238 -8.399 1.00 0.00 O ATOM 370 CB GLU A 62 2.303 0.239 -5.749 1.00 0.00 C ATOM 371 CG GLU A 62 2.993 1.229 -6.689 1.00 0.00 C ATOM 372 CD GLU A 62 3.553 2.423 -5.914 1.00 0.00 C ATOM 373 OE1 GLU A 62 3.167 2.564 -4.733 1.00 0.00 O ATOM 374 OE2 GLU A 62 4.354 3.167 -6.519 1.00 0.00 O ATOM 0 H GLU A 62 4.492 -0.925 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 62 1.840 -1.838 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.240 0.472 -5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.711 0.342 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.800 0.727 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.284 1.578 -7.439 1.00 0.00 H new ATOM 381 N GLU A 63 1.205 -0.438 -8.128 1.00 0.00 N ATOM 382 CA GLU A 63 0.725 -0.450 -9.500 1.00 0.00 C ATOM 383 C GLU A 63 -0.186 -1.657 -9.733 1.00 0.00 C ATOM 384 O GLU A 63 -1.346 -1.499 -10.111 1.00 0.00 O ATOM 385 CB GLU A 63 1.893 -0.445 -10.489 1.00 0.00 C ATOM 386 CG GLU A 63 1.453 0.090 -11.853 1.00 0.00 C ATOM 387 CD GLU A 63 2.633 0.710 -12.604 1.00 0.00 C ATOM 388 OE1 GLU A 63 3.216 1.668 -12.053 1.00 0.00 O ATOM 389 OE2 GLU A 63 2.924 0.213 -13.714 1.00 0.00 O ATOM 0 H GLU A 63 0.818 0.306 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 63 0.144 0.457 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.703 0.170 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.285 -1.456 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.025 -0.719 -12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.669 0.836 -11.720 1.00 0.00 H new ATOM 396 N LEU A 64 0.374 -2.835 -9.499 1.00 0.00 N ATOM 397 CA LEU A 64 -0.374 -4.068 -9.679 1.00 0.00 C ATOM 398 C LEU A 64 -0.746 -4.638 -8.309 1.00 0.00 C ATOM 399 O LEU A 64 -1.535 -5.577 -8.217 1.00 0.00 O ATOM 400 CB LEU A 64 0.407 -5.044 -10.560 1.00 0.00 C ATOM 401 CG LEU A 64 1.778 -5.472 -10.035 1.00 0.00 C ATOM 402 CD1 LEU A 64 1.665 -6.724 -9.162 1.00 0.00 C ATOM 403 CD2 LEU A 64 2.771 -5.662 -11.184 1.00 0.00 C ATOM 0 H LEU A 64 1.337 -2.962 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.307 -3.874 -10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.200 -5.938 -10.704 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.542 -4.589 -11.541 1.00 0.00 H new ATOM 0 HG LEU A 64 2.166 -4.673 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.654 -7.007 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.015 -6.517 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.246 -7.541 -9.750 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.738 -5.966 -10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.401 -6.432 -11.861 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.883 -4.724 -11.727 1.00 0.00 H new ATOM 415 N SER A 65 -0.160 -4.047 -7.278 1.00 0.00 N ATOM 416 CA SER A 65 -0.419 -4.485 -5.917 1.00 0.00 C ATOM 417 C SER A 65 -1.289 -3.455 -5.193 1.00 0.00 C ATOM 418 O SER A 65 -2.014 -3.796 -4.260 1.00 0.00 O ATOM 419 CB SER A 65 0.886 -4.709 -5.152 1.00 0.00 C ATOM 420 OG SER A 65 1.293 -6.074 -5.178 1.00 0.00 O ATOM 0 H SER A 65 0.494 -3.268 -7.358 1.00 0.00 H new ATOM 0 HA SER A 65 -0.951 -5.436 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.671 -4.089 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.760 -4.388 -4.118 1.00 0.00 H new ATOM 0 HG SER A 65 2.131 -6.175 -4.680 1.00 0.00 H new ATOM 426 N ALA A 66 -1.188 -2.216 -5.651 1.00 0.00 N ATOM 427 CA ALA A 66 -1.956 -1.134 -5.058 1.00 0.00 C ATOM 428 C ALA A 66 -3.293 -1.004 -5.790 1.00 0.00 C ATOM 429 O ALA A 66 -4.099 -0.131 -5.468 1.00 0.00 O ATOM 430 CB ALA A 66 -1.138 0.158 -5.104 1.00 0.00 C ATOM 0 H ALA A 66 -0.586 -1.937 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.172 -1.345 -4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.714 0.969 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.212 0.022 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.905 0.404 -6.140 1.00 0.00 H new ATOM 436 N LEU A 67 -3.489 -1.884 -6.761 1.00 0.00 N ATOM 437 CA LEU A 67 -4.715 -1.878 -7.541 1.00 0.00 C ATOM 438 C LEU A 67 -5.554 -3.103 -7.172 1.00 0.00 C ATOM 439 O LEU A 67 -6.783 -3.054 -7.214 1.00 0.00 O ATOM 440 CB LEU A 67 -4.399 -1.776 -9.034 1.00 0.00 C ATOM 441 CG LEU A 67 -4.912 -0.521 -9.744 1.00 0.00 C ATOM 442 CD1 LEU A 67 -6.417 -0.350 -9.535 1.00 0.00 C ATOM 443 CD2 LEU A 67 -4.127 0.716 -9.305 1.00 0.00 C ATOM 0 H LEU A 67 -2.819 -2.606 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.313 -0.998 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.317 -1.824 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.818 -2.649 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.748 -0.642 -10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.756 0.549 -10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.941 -1.217 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.628 -0.260 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.511 1.594 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.237 0.854 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.073 0.583 -9.548 1.00 0.00 H new ATOM 455 N VAL A 68 -4.858 -4.174 -6.820 1.00 0.00 N ATOM 456 CA VAL A 68 -5.524 -5.409 -6.444 1.00 0.00 C ATOM 457 C VAL A 68 -5.910 -5.346 -4.965 1.00 0.00 C ATOM 458 O VAL A 68 -6.908 -5.937 -4.554 1.00 0.00 O ATOM 459 CB VAL A 68 -4.633 -6.607 -6.779 1.00 0.00 C ATOM 460 CG1 VAL A 68 -3.373 -6.613 -5.911 1.00 0.00 C ATOM 461 CG2 VAL A 68 -5.404 -7.921 -6.636 1.00 0.00 C ATOM 0 H VAL A 68 -3.839 -4.212 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.444 -5.536 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.322 -6.513 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.757 -7.475 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.807 -5.698 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.656 -6.671 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.748 -8.756 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.758 -8.025 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.256 -7.919 -7.316 1.00 0.00 H new ATOM 471 N GLU A 69 -5.099 -4.625 -4.205 1.00 0.00 N ATOM 472 CA GLU A 69 -5.343 -4.477 -2.780 1.00 0.00 C ATOM 473 C GLU A 69 -5.869 -3.073 -2.475 1.00 0.00 C ATOM 474 O GLU A 69 -6.979 -2.919 -1.966 1.00 0.00 O ATOM 475 CB GLU A 69 -4.078 -4.776 -1.973 1.00 0.00 C ATOM 476 CG GLU A 69 -3.394 -6.048 -2.477 1.00 0.00 C ATOM 477 CD GLU A 69 -4.187 -7.293 -2.073 1.00 0.00 C ATOM 478 OE1 GLU A 69 -5.121 -7.131 -1.258 1.00 0.00 O ATOM 479 OE2 GLU A 69 -3.840 -8.378 -2.587 1.00 0.00 O ATOM 0 H GLU A 69 -4.272 -4.137 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.102 -5.201 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.389 -3.935 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.333 -4.889 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.299 -6.009 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.384 -6.108 -2.071 1.00 0.00 H new ATOM 486 N ARG A 70 -5.049 -2.085 -2.798 1.00 0.00 N ATOM 487 CA ARG A 70 -5.418 -0.699 -2.565 1.00 0.00 C ATOM 488 C ARG A 70 -6.388 -0.218 -3.646 1.00 0.00 C ATOM 489 O ARG A 70 -6.815 -1.000 -4.494 1.00 0.00 O ATOM 490 CB ARG A 70 -4.184 0.206 -2.557 1.00 0.00 C ATOM 491 CG ARG A 70 -3.457 0.132 -1.213 1.00 0.00 C ATOM 492 CD ARG A 70 -4.310 0.737 -0.095 1.00 0.00 C ATOM 493 NE ARG A 70 -4.529 -0.265 0.972 1.00 0.00 N ATOM 494 CZ ARG A 70 -3.679 -0.482 1.985 1.00 0.00 C ATOM 495 NH1 ARG A 70 -2.547 0.231 2.074 1.00 0.00 N ATOM 496 NH2 ARG A 70 -3.959 -1.411 2.908 1.00 0.00 N ATOM 0 H ARG A 70 -4.130 -2.216 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.901 -0.645 -1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.506 -0.090 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.482 1.235 -2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.225 -0.907 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.508 0.663 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.815 1.616 0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.268 1.069 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.380 -0.826 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.333 0.938 1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.900 0.066 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.820 -1.954 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.311 -1.576 3.679 1.00 0.00 H new ATOM 510 N GLY A 71 -6.707 1.066 -3.581 1.00 0.00 N ATOM 511 CA GLY A 71 -7.619 1.660 -4.544 1.00 0.00 C ATOM 512 C GLY A 71 -7.519 3.187 -4.524 1.00 0.00 C ATOM 513 O GLY A 71 -7.567 3.829 -5.572 1.00 0.00 O ATOM 0 H GLY A 71 -6.350 1.712 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.390 1.290 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.641 1.356 -4.318 1.00 0.00 H new ATOM 517 N HIS A 72 -7.381 3.723 -3.321 1.00 0.00 N ATOM 518 CA HIS A 72 -7.274 5.162 -3.151 1.00 0.00 C ATOM 519 C HIS A 72 -5.951 5.652 -3.743 1.00 0.00 C ATOM 520 O HIS A 72 -5.784 6.844 -3.998 1.00 0.00 O ATOM 521 CB HIS A 72 -7.445 5.550 -1.680 1.00 0.00 C ATOM 522 CG HIS A 72 -6.810 4.581 -0.712 1.00 0.00 C ATOM 523 ND1 HIS A 72 -7.439 4.157 0.445 1.00 0.00 N ATOM 524 CD2 HIS A 72 -5.596 3.958 -0.741 1.00 0.00 C ATOM 525 CE1 HIS A 72 -6.631 3.317 1.077 1.00 0.00 C ATOM 526 NE2 HIS A 72 -5.490 3.196 0.340 1.00 0.00 N ATOM 0 H HIS A 72 -7.341 3.187 -2.454 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.080 5.656 -3.693 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.014 6.539 -1.523 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.509 5.626 -1.456 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -8.367 4.442 0.759 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.848 4.067 -1.513 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.840 2.817 2.011 1.00 0.00 H new ATOM 534 N LEU A 73 -5.044 4.707 -3.945 1.00 0.00 N ATOM 535 CA LEU A 73 -3.742 5.028 -4.503 1.00 0.00 C ATOM 536 C LEU A 73 -3.154 6.229 -3.759 1.00 0.00 C ATOM 537 O LEU A 73 -2.312 6.945 -4.296 1.00 0.00 O ATOM 538 CB LEU A 73 -3.841 5.230 -6.016 1.00 0.00 C ATOM 539 CG LEU A 73 -5.130 4.735 -6.675 1.00 0.00 C ATOM 540 CD1 LEU A 73 -5.217 5.203 -8.129 1.00 0.00 C ATOM 541 CD2 LEU A 73 -5.258 3.215 -6.554 1.00 0.00 C ATOM 0 H LEU A 73 -5.185 3.720 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.052 4.196 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.733 6.294 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.998 4.724 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.975 5.173 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.142 4.838 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.204 6.292 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.367 4.813 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.183 2.889 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.409 2.738 -7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.273 2.934 -5.501 1.00 0.00 H new ATOM 553 N ALA A 74 -3.623 6.411 -2.533 1.00 0.00 N ATOM 554 CA ALA A 74 -3.155 7.513 -1.709 1.00 0.00 C ATOM 555 C ALA A 74 -2.883 7.005 -0.292 1.00 0.00 C ATOM 556 O ALA A 74 -3.501 7.467 0.666 1.00 0.00 O ATOM 557 CB ALA A 74 -4.185 8.644 -1.736 1.00 0.00 C ATOM 0 H ALA A 74 -4.322 5.814 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.220 7.915 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.834 9.470 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.320 8.989 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.136 8.279 -1.348 1.00 0.00 H new ATOM 563 N PRO A 75 -1.932 6.037 -0.201 1.00 0.00 N ATOM 564 CA PRO A 75 -1.571 5.461 1.083 1.00 0.00 C ATOM 565 C PRO A 75 -0.710 6.431 1.896 1.00 0.00 C ATOM 566 O PRO A 75 -0.278 6.106 3.001 1.00 0.00 O ATOM 567 CB PRO A 75 -0.850 4.167 0.745 1.00 0.00 C ATOM 568 CG PRO A 75 -0.425 4.294 -0.709 1.00 0.00 C ATOM 569 CD PRO A 75 -1.179 5.466 -1.314 1.00 0.00 C ATOM 0 HA PRO A 75 -2.437 5.265 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.014 4.021 1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.504 3.307 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.651 4.455 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.646 3.376 -1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.495 6.197 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.843 5.139 -2.115 1.00 0.00 H new ATOM 577 N TRP A 76 -0.487 7.602 1.317 1.00 0.00 N ATOM 578 CA TRP A 76 0.314 8.620 1.973 1.00 0.00 C ATOM 579 C TRP A 76 -0.638 9.607 2.651 1.00 0.00 C ATOM 580 O TRP A 76 -0.300 10.198 3.676 1.00 0.00 O ATOM 581 CB TRP A 76 1.266 9.293 0.982 1.00 0.00 C ATOM 582 CG TRP A 76 0.603 9.709 -0.333 1.00 0.00 C ATOM 583 CD1 TRP A 76 -0.094 10.824 -0.589 1.00 0.00 C ATOM 584 CD2 TRP A 76 0.602 8.964 -1.569 1.00 0.00 C ATOM 585 NE1 TRP A 76 -0.542 10.853 -1.894 1.00 0.00 N ATOM 586 CE2 TRP A 76 -0.105 9.685 -2.509 1.00 0.00 C ATOM 587 CE3 TRP A 76 1.180 7.721 -1.882 1.00 0.00 C ATOM 588 CZ2 TRP A 76 -0.300 9.247 -3.824 1.00 0.00 C ATOM 589 CZ3 TRP A 76 0.976 7.297 -3.201 1.00 0.00 C ATOM 590 CH2 TRP A 76 0.267 8.012 -4.159 1.00 0.00 C ATOM 0 H TRP A 76 -0.847 7.868 0.401 1.00 0.00 H new ATOM 0 HA TRP A 76 0.954 8.175 2.734 1.00 0.00 H new ATOM 0 HB2 TRP A 76 1.700 10.175 1.453 1.00 0.00 H new ATOM 0 HB3 TRP A 76 2.088 8.611 0.763 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -0.282 11.603 0.135 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -1.092 11.594 -2.327 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.737 7.139 -1.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.858 9.831 -4.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 1.399 6.348 -3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 76 0.154 7.616 -5.158 1.00 0.00 H new ATOM 601 N ASP A 77 -1.811 9.755 2.052 1.00 0.00 N ATOM 602 CA ASP A 77 -2.815 10.660 2.585 1.00 0.00 C ATOM 603 C ASP A 77 -3.809 9.868 3.437 1.00 0.00 C ATOM 604 O ASP A 77 -4.364 10.394 4.400 1.00 0.00 O ATOM 605 CB ASP A 77 -3.595 11.342 1.460 1.00 0.00 C ATOM 606 CG ASP A 77 -4.171 12.715 1.811 1.00 0.00 C ATOM 607 OD1 ASP A 77 -4.065 13.087 3.000 1.00 0.00 O ATOM 608 OD2 ASP A 77 -4.705 13.361 0.884 1.00 0.00 O ATOM 0 H ASP A 77 -2.088 9.263 1.203 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.304 11.417 3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.938 11.450 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.413 10.688 1.158 1.00 0.00 H new ATOM 613 N VAL A 78 -4.003 8.615 3.051 1.00 0.00 N ATOM 614 CA VAL A 78 -4.920 7.745 3.768 1.00 0.00 C ATOM 615 C VAL A 78 -6.163 8.542 4.170 1.00 0.00 C ATOM 616 O VAL A 78 -6.714 8.336 5.250 1.00 0.00 O ATOM 617 CB VAL A 78 -4.208 7.104 4.961 1.00 0.00 C ATOM 618 CG1 VAL A 78 -3.381 5.895 4.522 1.00 0.00 C ATOM 619 CG2 VAL A 78 -3.338 8.127 5.694 1.00 0.00 C ATOM 0 H VAL A 78 -3.541 8.182 2.251 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.251 6.928 3.127 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.970 6.753 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.886 5.459 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.036 5.152 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.631 6.211 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.843 7.646 6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.587 8.522 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.963 8.943 6.057 1.00 0.00 H new