USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 CYS SG : rot 160:sc= -1.41! USER MOD Set 1.2: A 48 THR OG1 : rot -93:sc= 1.39 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 147:sc= 0.949 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -72:sc= 1.12 USER MOD Single : A 56 TYR OH : rot 147:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.528 F(o=-1.2,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -4.379 9.867 -2.327 1.00 0.00 N ATOM 45 CA LEU A 4 -3.419 8.888 -1.823 1.00 0.00 C ATOM 46 C LEU A 4 -3.710 7.508 -2.405 1.00 0.00 C ATOM 47 O LEU A 4 -4.672 7.324 -3.153 1.00 0.00 O ATOM 48 CB LEU A 4 -3.478 8.813 -0.294 1.00 0.00 C ATOM 49 CG LEU A 4 -4.927 8.583 0.164 1.00 0.00 C ATOM 50 CD1 LEU A 4 -5.103 7.131 0.615 1.00 0.00 C ATOM 51 CD2 LEU A 4 -5.249 9.517 1.336 1.00 0.00 C ATOM 0 HA LEU A 4 -2.422 9.207 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.842 8.003 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.093 9.736 0.139 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.601 8.790 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.132 6.973 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.877 6.462 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.426 6.923 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.277 9.353 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.570 9.310 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.129 10.553 1.019 1.00 0.00 H new ATOM 63 N LEU A 5 -2.867 6.539 -2.058 1.00 0.00 N ATOM 64 CA LEU A 5 -3.038 5.177 -2.557 1.00 0.00 C ATOM 65 C LEU A 5 -3.811 4.331 -1.549 1.00 0.00 C ATOM 66 O LEU A 5 -3.469 4.277 -0.369 1.00 0.00 O ATOM 67 CB LEU A 5 -1.669 4.530 -2.823 1.00 0.00 C ATOM 68 CG LEU A 5 -1.342 4.566 -4.324 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.373 3.743 -5.097 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.360 6.014 -4.833 1.00 0.00 C ATOM 0 H LEU A 5 -2.066 6.669 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.601 5.225 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.896 5.056 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.672 3.499 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.349 4.144 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.137 3.771 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.351 2.711 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.367 4.160 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.127 6.028 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.349 6.444 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.617 6.599 -4.291 1.00 0.00 H new ATOM 82 N THR A 6 -4.858 3.670 -2.033 1.00 0.00 N ATOM 83 CA THR A 6 -5.677 2.827 -1.170 1.00 0.00 C ATOM 84 C THR A 6 -5.671 1.388 -1.674 1.00 0.00 C ATOM 85 O THR A 6 -5.159 1.094 -2.753 1.00 0.00 O ATOM 86 CB THR A 6 -7.120 3.335 -1.140 1.00 0.00 C ATOM 87 OG1 THR A 6 -7.631 3.383 -2.465 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.158 4.735 -0.526 1.00 0.00 C ATOM 0 H THR A 6 -5.157 3.701 -3.008 1.00 0.00 H new ATOM 0 HA THR A 6 -5.257 2.864 -0.165 1.00 0.00 H new ATOM 0 HB THR A 6 -7.730 2.661 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.556 3.707 -2.447 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.186 5.095 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.766 4.697 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.548 5.412 -1.125 1.00 0.00 H new ATOM 96 N THR A 7 -6.251 0.494 -0.876 1.00 0.00 N ATOM 97 CA THR A 7 -6.316 -0.920 -1.243 1.00 0.00 C ATOM 98 C THR A 7 -7.030 -1.094 -2.582 1.00 0.00 C ATOM 99 O THR A 7 -6.611 -1.883 -3.429 1.00 0.00 O ATOM 100 CB THR A 7 -7.066 -1.713 -0.166 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.456 -1.484 1.097 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.019 -3.208 -0.492 1.00 0.00 C ATOM 0 H THR A 7 -6.680 0.720 0.022 1.00 0.00 H new ATOM 0 HA THR A 7 -5.296 -1.296 -1.329 1.00 0.00 H new ATOM 0 HB THR A 7 -8.105 -1.386 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.935 -1.988 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.554 -3.765 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.488 -3.384 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.982 -3.541 -0.526 1.00 0.00 H new ATOM 110 N ASP A 8 -8.115 -0.347 -2.760 1.00 0.00 N ATOM 111 CA ASP A 8 -8.886 -0.422 -3.997 1.00 0.00 C ATOM 112 C ASP A 8 -8.040 0.026 -5.188 1.00 0.00 C ATOM 113 O ASP A 8 -8.239 -0.437 -6.311 1.00 0.00 O ATOM 114 CB ASP A 8 -10.132 0.462 -3.907 1.00 0.00 C ATOM 115 CG ASP A 8 -11.215 -0.269 -3.120 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.096 -0.337 -1.909 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.147 -0.750 -3.743 1.00 0.00 O ATOM 0 H ASP A 8 -8.478 0.311 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.187 -1.460 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.887 1.406 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.493 0.703 -4.907 1.00 0.00 H new ATOM 122 N ASP A 9 -7.097 0.931 -4.934 1.00 0.00 N ATOM 123 CA ASP A 9 -6.230 1.429 -6.003 1.00 0.00 C ATOM 124 C ASP A 9 -5.296 0.327 -6.495 1.00 0.00 C ATOM 125 O ASP A 9 -5.128 0.130 -7.699 1.00 0.00 O ATOM 126 CB ASP A 9 -5.384 2.611 -5.520 1.00 0.00 C ATOM 127 CG ASP A 9 -5.146 3.573 -6.680 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.404 3.214 -7.578 1.00 0.00 O ATOM 129 OD2 ASP A 9 -5.713 4.653 -6.653 1.00 0.00 O ATOM 0 H ASP A 9 -6.914 1.330 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.875 1.757 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.892 3.126 -4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.432 2.254 -5.128 1.00 0.00 H new ATOM 134 N LEU A 10 -4.683 -0.386 -5.552 1.00 0.00 N ATOM 135 CA LEU A 10 -3.762 -1.461 -5.911 1.00 0.00 C ATOM 136 C LEU A 10 -4.509 -2.592 -6.632 1.00 0.00 C ATOM 137 O LEU A 10 -3.944 -3.294 -7.471 1.00 0.00 O ATOM 138 CB LEU A 10 -3.020 -1.982 -4.647 1.00 0.00 C ATOM 139 CG LEU A 10 -3.774 -3.141 -3.967 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.272 -4.466 -4.536 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.518 -3.119 -2.463 1.00 0.00 C ATOM 0 H LEU A 10 -4.805 -0.242 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.013 -1.069 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.020 -2.315 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.897 -1.164 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.842 -3.031 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.802 -5.291 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.452 -4.492 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.203 -4.562 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.055 -3.942 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.450 -3.227 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.866 -2.173 -2.048 1.00 0.00 H new ATOM 153 N ARG A 11 -5.784 -2.758 -6.285 1.00 0.00 N ATOM 154 CA ARG A 11 -6.608 -3.801 -6.889 1.00 0.00 C ATOM 155 C ARG A 11 -6.791 -3.546 -8.380 1.00 0.00 C ATOM 156 O ARG A 11 -6.433 -4.375 -9.212 1.00 0.00 O ATOM 157 CB ARG A 11 -7.984 -3.844 -6.221 1.00 0.00 C ATOM 158 CG ARG A 11 -8.523 -5.276 -6.245 1.00 0.00 C ATOM 159 CD ARG A 11 -9.421 -5.465 -7.469 1.00 0.00 C ATOM 160 NE ARG A 11 -10.593 -4.594 -7.390 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.630 -4.907 -6.619 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.102 -6.124 -6.619 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.179 -3.996 -5.863 1.00 0.00 N ATOM 0 H ARG A 11 -6.266 -2.186 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.100 -4.755 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.911 -3.489 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.672 -3.177 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.697 -5.986 -6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.085 -5.479 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.859 -5.245 -8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.739 -6.505 -7.536 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.615 -3.732 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.675 -6.837 -7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.898 -6.362 -6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.813 -3.044 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.975 -4.236 -5.271 1.00 0.00 H new ATOM 177 N ARG A 12 -7.363 -2.390 -8.703 1.00 0.00 N ATOM 178 CA ARG A 12 -7.610 -2.022 -10.098 1.00 0.00 C ATOM 179 C ARG A 12 -6.317 -2.044 -10.914 1.00 0.00 C ATOM 180 O ARG A 12 -6.331 -2.322 -12.112 1.00 0.00 O ATOM 181 CB ARG A 12 -8.220 -0.620 -10.178 1.00 0.00 C ATOM 182 CG ARG A 12 -7.311 0.378 -9.457 1.00 0.00 C ATOM 183 CD ARG A 12 -7.881 1.790 -9.605 1.00 0.00 C ATOM 184 NE ARG A 12 -7.399 2.414 -10.834 1.00 0.00 N ATOM 185 CZ ARG A 12 -7.656 3.693 -11.099 1.00 0.00 C ATOM 186 NH1 ARG A 12 -6.939 4.632 -10.543 1.00 0.00 N ATOM 187 NH2 ARG A 12 -8.624 4.010 -11.914 1.00 0.00 N ATOM 0 H ARG A 12 -7.664 -1.693 -8.022 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.304 -2.754 -10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.345 -0.326 -11.220 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.211 -0.617 -9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.231 0.116 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.305 0.336 -9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.970 1.749 -9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.593 2.396 -8.746 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.858 1.862 -11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.182 4.386 -9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.136 5.612 -10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.185 3.278 -12.349 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.820 4.990 -12.116 1.00 0.00 H new ATOM 201 N ALA A 13 -5.203 -1.742 -10.255 1.00 0.00 N ATOM 202 CA ALA A 13 -3.908 -1.724 -10.934 1.00 0.00 C ATOM 203 C ALA A 13 -3.460 -3.138 -11.292 1.00 0.00 C ATOM 204 O ALA A 13 -2.832 -3.361 -12.328 1.00 0.00 O ATOM 205 CB ALA A 13 -2.846 -1.079 -10.042 1.00 0.00 C ATOM 0 H ALA A 13 -5.168 -1.509 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.023 -1.142 -11.848 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.888 -1.074 -10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.139 -0.055 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.753 -1.648 -9.117 1.00 0.00 H new ATOM 211 N LEU A 14 -3.782 -4.090 -10.421 1.00 0.00 N ATOM 212 CA LEU A 14 -3.399 -5.483 -10.649 1.00 0.00 C ATOM 213 C LEU A 14 -4.293 -6.131 -11.708 1.00 0.00 C ATOM 214 O LEU A 14 -3.884 -7.072 -12.389 1.00 0.00 O ATOM 215 CB LEU A 14 -3.506 -6.281 -9.348 1.00 0.00 C ATOM 216 CG LEU A 14 -2.169 -6.226 -8.598 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.428 -6.140 -7.091 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.356 -7.488 -8.906 1.00 0.00 C ATOM 0 H LEU A 14 -4.302 -3.927 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.368 -5.491 -11.002 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.301 -5.873 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.770 -7.316 -9.565 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.611 -5.347 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.477 -6.101 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.003 -5.241 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.988 -7.017 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.406 -7.448 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.915 -8.368 -8.587 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.168 -7.547 -9.978 1.00 0.00 H new ATOM 230 N VAL A 15 -5.517 -5.625 -11.837 1.00 0.00 N ATOM 231 CA VAL A 15 -6.460 -6.169 -12.814 1.00 0.00 C ATOM 232 C VAL A 15 -6.222 -5.566 -14.199 1.00 0.00 C ATOM 233 O VAL A 15 -6.550 -6.176 -15.217 1.00 0.00 O ATOM 234 CB VAL A 15 -7.903 -5.881 -12.386 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.872 -6.626 -13.307 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.114 -6.350 -10.940 1.00 0.00 C ATOM 0 H VAL A 15 -5.878 -4.847 -11.284 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.300 -7.246 -12.861 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.090 -4.809 -12.453 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.897 -6.419 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.726 -6.292 -14.334 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.683 -7.698 -13.243 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.141 -6.145 -10.637 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.923 -7.421 -10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.428 -5.818 -10.281 1.00 0.00 H new ATOM 246 N GLU A 16 -5.652 -4.362 -14.230 1.00 0.00 N ATOM 247 CA GLU A 16 -5.383 -3.688 -15.500 1.00 0.00 C ATOM 248 C GLU A 16 -4.459 -4.530 -16.378 1.00 0.00 C ATOM 249 O GLU A 16 -4.545 -4.496 -17.605 1.00 0.00 O ATOM 250 CB GLU A 16 -4.729 -2.327 -15.252 1.00 0.00 C ATOM 251 CG GLU A 16 -5.058 -1.383 -16.410 1.00 0.00 C ATOM 252 CD GLU A 16 -3.999 -1.526 -17.499 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.909 -1.013 -17.309 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.296 -2.146 -18.507 1.00 0.00 O ATOM 0 H GLU A 16 -5.370 -3.838 -13.401 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.336 -3.550 -16.012 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.087 -1.906 -14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.649 -2.442 -15.159 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.044 -1.615 -16.814 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.093 -0.353 -16.055 1.00 0.00 H new ATOM 261 N CYS A 17 -3.572 -5.285 -15.734 1.00 0.00 N ATOM 262 CA CYS A 17 -2.636 -6.132 -16.468 1.00 0.00 C ATOM 263 C CYS A 17 -3.388 -7.185 -17.274 1.00 0.00 C ATOM 264 O CYS A 17 -3.098 -7.417 -18.447 1.00 0.00 O ATOM 265 CB CYS A 17 -1.681 -6.836 -15.503 1.00 0.00 C ATOM 266 SG CYS A 17 -0.674 -5.601 -14.645 1.00 0.00 S ATOM 0 H CYS A 17 -3.482 -5.328 -14.719 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.066 -5.494 -17.144 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.246 -7.426 -14.781 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.040 -7.528 -16.049 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.186 -6.119 -13.557 1.00 0.00 H new ATOM 272 N ALA A 18 -4.359 -7.824 -16.626 1.00 0.00 N ATOM 273 CA ALA A 18 -5.151 -8.859 -17.283 1.00 0.00 C ATOM 274 C ALA A 18 -6.014 -8.264 -18.393 1.00 0.00 C ATOM 275 O ALA A 18 -6.341 -8.939 -19.370 1.00 0.00 O ATOM 276 CB ALA A 18 -6.061 -9.558 -16.273 1.00 0.00 C ATOM 0 H ALA A 18 -4.614 -7.645 -15.655 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.457 -9.580 -17.714 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.644 -10.327 -16.780 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.454 -10.018 -15.494 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.735 -8.828 -15.824 1.00 0.00 H new ATOM 400 N ASP A 29 -9.161 -11.347 1.918 1.00 0.00 N ATOM 401 CA ASP A 29 -8.471 -10.060 1.874 1.00 0.00 C ATOM 402 C ASP A 29 -7.694 -9.876 0.565 1.00 0.00 C ATOM 403 O ASP A 29 -7.153 -8.800 0.309 1.00 0.00 O ATOM 404 CB ASP A 29 -7.495 -9.941 3.045 1.00 0.00 C ATOM 405 CG ASP A 29 -7.289 -8.469 3.388 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.276 -7.795 3.635 1.00 0.00 O ATOM 407 OD2 ASP A 29 -6.149 -8.037 3.397 1.00 0.00 O ATOM 0 HA ASP A 29 -9.234 -9.285 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.883 -10.476 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.542 -10.402 2.786 1.00 0.00 H new ATOM 412 N PHE A 30 -7.636 -10.935 -0.263 1.00 0.00 N ATOM 413 CA PHE A 30 -6.918 -10.889 -1.550 1.00 0.00 C ATOM 414 C PHE A 30 -5.563 -10.193 -1.429 1.00 0.00 C ATOM 415 O PHE A 30 -5.070 -9.593 -2.382 1.00 0.00 O ATOM 416 CB PHE A 30 -7.758 -10.185 -2.628 1.00 0.00 C ATOM 417 CG PHE A 30 -8.035 -8.737 -2.261 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.150 -7.721 -2.654 1.00 0.00 C ATOM 419 CD2 PHE A 30 -9.191 -8.410 -1.538 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.419 -6.389 -2.323 1.00 0.00 C ATOM 421 CE2 PHE A 30 -9.458 -7.075 -1.209 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.571 -6.065 -1.601 1.00 0.00 C ATOM 0 H PHE A 30 -8.078 -11.833 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.746 -11.924 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.234 -10.225 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.701 -10.715 -2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.260 -7.968 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.876 -9.188 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.735 -5.610 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.349 -6.824 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.777 -5.036 -1.346 1.00 0.00 H new ATOM 432 N LEU A 31 -4.969 -10.278 -0.247 1.00 0.00 N ATOM 433 CA LEU A 31 -3.676 -9.636 -0.022 1.00 0.00 C ATOM 434 C LEU A 31 -2.707 -10.546 0.737 1.00 0.00 C ATOM 435 O LEU A 31 -1.507 -10.548 0.462 1.00 0.00 O ATOM 436 CB LEU A 31 -3.865 -8.331 0.749 1.00 0.00 C ATOM 437 CG LEU A 31 -4.528 -7.304 -0.172 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.277 -6.260 0.660 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.455 -6.616 -1.019 1.00 0.00 C ATOM 0 H LEU A 31 -5.350 -10.774 0.558 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.242 -9.429 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.482 -8.500 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.903 -7.957 1.100 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.239 -7.812 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.745 -5.533 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.044 -6.753 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.576 -5.749 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.924 -5.884 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.743 -6.113 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.933 -7.361 -1.620 1.00 0.00 H new ATOM 451 N ASP A 32 -3.227 -11.324 1.690 1.00 0.00 N ATOM 452 CA ASP A 32 -2.379 -12.234 2.472 1.00 0.00 C ATOM 453 C ASP A 32 -1.514 -13.102 1.553 1.00 0.00 C ATOM 454 O ASP A 32 -0.397 -13.485 1.903 1.00 0.00 O ATOM 455 CB ASP A 32 -3.239 -13.144 3.348 1.00 0.00 C ATOM 456 CG ASP A 32 -3.555 -12.436 4.662 1.00 0.00 C ATOM 457 OD1 ASP A 32 -3.861 -11.256 4.617 1.00 0.00 O ATOM 458 OD2 ASP A 32 -3.486 -13.084 5.694 1.00 0.00 O ATOM 0 H ASP A 32 -4.216 -11.345 1.938 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.732 -11.623 3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.163 -13.399 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.715 -14.079 3.544 1.00 0.00 H new ATOM 463 N LEU A 33 -2.045 -13.395 0.369 1.00 0.00 N ATOM 464 CA LEU A 33 -1.324 -14.205 -0.609 1.00 0.00 C ATOM 465 C LEU A 33 -1.873 -13.936 -2.008 1.00 0.00 C ATOM 466 O LEU A 33 -2.675 -14.706 -2.537 1.00 0.00 O ATOM 467 CB LEU A 33 -1.470 -15.697 -0.292 1.00 0.00 C ATOM 468 CG LEU A 33 -0.363 -16.134 0.679 1.00 0.00 C ATOM 469 CD1 LEU A 33 -0.946 -16.297 2.086 1.00 0.00 C ATOM 470 CD2 LEU A 33 0.226 -17.471 0.220 1.00 0.00 C ATOM 0 H LEU A 33 -2.968 -13.085 0.064 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.269 -13.935 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.449 -15.891 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.412 -16.281 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 33 0.419 -15.375 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.158 -16.607 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.364 -15.347 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.731 -17.053 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.011 -17.779 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.559 -18.227 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.645 -17.360 -0.780 1.00 0.00 H new ATOM 482 N ARG A 34 -1.446 -12.821 -2.596 1.00 0.00 N ATOM 483 CA ARG A 34 -1.917 -12.450 -3.930 1.00 0.00 C ATOM 484 C ARG A 34 -0.757 -12.373 -4.923 1.00 0.00 C ATOM 485 O ARG A 34 -0.898 -12.751 -6.085 1.00 0.00 O ATOM 486 CB ARG A 34 -2.630 -11.094 -3.880 1.00 0.00 C ATOM 487 CG ARG A 34 -3.846 -11.107 -4.817 1.00 0.00 C ATOM 488 CD ARG A 34 -3.552 -10.270 -6.064 1.00 0.00 C ATOM 489 NE ARG A 34 -4.786 -9.975 -6.785 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.762 -9.365 -7.966 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.903 -9.739 -8.875 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.599 -8.396 -8.217 1.00 0.00 N ATOM 0 H ARG A 34 -0.785 -12.167 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.613 -13.220 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.948 -10.878 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.942 -10.301 -4.174 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.084 -12.131 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.719 -10.710 -4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.060 -9.340 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.863 -10.807 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.682 -10.241 -6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.251 -10.499 -8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.884 -9.272 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.272 -8.106 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.581 -7.928 -9.123 1.00 0.00 H new ATOM 506 N PHE A 35 0.385 -11.874 -4.458 1.00 0.00 N ATOM 507 CA PHE A 35 1.553 -11.751 -5.329 1.00 0.00 C ATOM 508 C PHE A 35 2.169 -13.125 -5.602 1.00 0.00 C ATOM 509 O PHE A 35 1.980 -13.699 -6.672 1.00 0.00 O ATOM 510 CB PHE A 35 2.610 -10.837 -4.692 1.00 0.00 C ATOM 511 CG PHE A 35 2.432 -9.419 -5.189 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.182 -8.796 -5.096 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.520 -8.724 -5.737 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.019 -7.482 -5.553 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.354 -7.412 -6.191 1.00 0.00 C ATOM 516 CZ PHE A 35 2.105 -6.790 -6.099 1.00 0.00 C ATOM 0 H PHE A 35 0.528 -11.553 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 35 1.222 -11.313 -6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.520 -10.865 -3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.609 -11.195 -4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.343 -9.328 -4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.486 -9.202 -5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.054 -7.003 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.192 -6.878 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.979 -5.776 -6.449 1.00 0.00 H new ATOM 526 N GLU A 36 2.911 -13.641 -4.622 1.00 0.00 N ATOM 527 CA GLU A 36 3.565 -14.946 -4.763 1.00 0.00 C ATOM 528 C GLU A 36 2.572 -16.034 -5.180 1.00 0.00 C ATOM 529 O GLU A 36 2.954 -17.040 -5.781 1.00 0.00 O ATOM 530 CB GLU A 36 4.219 -15.356 -3.442 1.00 0.00 C ATOM 531 CG GLU A 36 5.217 -16.488 -3.695 1.00 0.00 C ATOM 532 CD GLU A 36 5.458 -17.253 -2.398 1.00 0.00 C ATOM 533 OE1 GLU A 36 6.205 -16.756 -1.571 1.00 0.00 O ATOM 534 OE2 GLU A 36 4.894 -18.324 -2.252 1.00 0.00 O ATOM 0 H GLU A 36 3.075 -13.180 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 36 4.321 -14.845 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.728 -14.502 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.458 -15.680 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.833 -17.162 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.156 -16.082 -4.070 1.00 0.00 H new ATOM 541 N ASP A 37 1.299 -15.829 -4.854 1.00 0.00 N ATOM 542 CA ASP A 37 0.269 -16.807 -5.199 1.00 0.00 C ATOM 543 C ASP A 37 0.191 -17.006 -6.712 1.00 0.00 C ATOM 544 O ASP A 37 0.439 -18.098 -7.221 1.00 0.00 O ATOM 545 CB ASP A 37 -1.097 -16.347 -4.686 1.00 0.00 C ATOM 546 CG ASP A 37 -2.111 -17.475 -4.853 1.00 0.00 C ATOM 547 OD1 ASP A 37 -2.702 -17.560 -5.917 1.00 0.00 O ATOM 548 OD2 ASP A 37 -2.280 -18.237 -3.916 1.00 0.00 O ATOM 0 H ASP A 37 0.958 -15.006 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 37 0.538 -17.752 -4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.025 -16.061 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.425 -15.465 -5.235 1.00 0.00 H new ATOM 553 N ILE A 38 -0.164 -15.937 -7.421 1.00 0.00 N ATOM 554 CA ILE A 38 -0.282 -16.005 -8.877 1.00 0.00 C ATOM 555 C ILE A 38 1.062 -16.362 -9.521 1.00 0.00 C ATOM 556 O ILE A 38 1.108 -16.959 -10.597 1.00 0.00 O ATOM 557 CB ILE A 38 -0.792 -14.662 -9.431 1.00 0.00 C ATOM 558 CG1 ILE A 38 -0.954 -14.750 -10.954 1.00 0.00 C ATOM 559 CG2 ILE A 38 0.193 -13.540 -9.087 1.00 0.00 C ATOM 560 CD1 ILE A 38 -1.633 -13.480 -11.469 1.00 0.00 C ATOM 0 H ILE A 38 -0.373 -15.024 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.998 -16.789 -9.123 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.758 -14.443 -8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.020 -14.872 -11.428 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.548 -15.625 -11.217 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.178 -12.595 -9.484 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.294 -13.464 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.165 -13.761 -9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.748 -13.542 -12.551 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.614 -13.378 -11.005 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.021 -12.613 -11.219 1.00 0.00 H new ATOM 572 N GLY A 39 2.153 -15.990 -8.856 1.00 0.00 N ATOM 573 CA GLY A 39 3.486 -16.277 -9.380 1.00 0.00 C ATOM 574 C GLY A 39 4.166 -14.999 -9.872 1.00 0.00 C ATOM 575 O GLY A 39 4.996 -15.031 -10.780 1.00 0.00 O ATOM 0 H GLY A 39 2.142 -15.495 -7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.094 -16.741 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.413 -16.993 -10.199 1.00 0.00 H new ATOM 579 N TYR A 40 3.804 -13.877 -9.256 1.00 0.00 N ATOM 580 CA TYR A 40 4.382 -12.588 -9.628 1.00 0.00 C ATOM 581 C TYR A 40 5.583 -12.276 -8.735 1.00 0.00 C ATOM 582 O TYR A 40 5.495 -11.469 -7.808 1.00 0.00 O ATOM 583 CB TYR A 40 3.337 -11.476 -9.469 1.00 0.00 C ATOM 584 CG TYR A 40 2.487 -11.366 -10.719 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.952 -12.515 -11.321 1.00 0.00 C ATOM 586 CD2 TYR A 40 2.224 -10.105 -11.268 1.00 0.00 C ATOM 587 CE1 TYR A 40 1.158 -12.399 -12.469 1.00 0.00 C ATOM 588 CE2 TYR A 40 1.430 -9.990 -12.415 1.00 0.00 C ATOM 589 CZ TYR A 40 0.897 -11.136 -13.015 1.00 0.00 C ATOM 590 OH TYR A 40 0.113 -11.023 -14.145 1.00 0.00 O ATOM 0 H TYR A 40 3.118 -13.833 -8.502 1.00 0.00 H new ATOM 0 HA TYR A 40 4.703 -12.639 -10.668 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.703 -11.685 -8.608 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.835 -10.526 -9.275 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.152 -13.489 -10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.635 -9.220 -10.806 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.747 -13.283 -12.933 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.229 -9.016 -12.837 1.00 0.00 H new ATOM 0 HH TYR A 40 0.030 -10.078 -14.392 1.00 0.00 H new ATOM 600 N ASP A 41 6.706 -12.931 -9.019 1.00 0.00 N ATOM 601 CA ASP A 41 7.916 -12.722 -8.228 1.00 0.00 C ATOM 602 C ASP A 41 8.370 -11.267 -8.310 1.00 0.00 C ATOM 603 O ASP A 41 8.690 -10.647 -7.296 1.00 0.00 O ATOM 604 CB ASP A 41 9.047 -13.630 -8.719 1.00 0.00 C ATOM 605 CG ASP A 41 9.231 -13.466 -10.225 1.00 0.00 C ATOM 606 OD1 ASP A 41 8.535 -14.142 -10.963 1.00 0.00 O ATOM 607 OD2 ASP A 41 10.064 -12.665 -10.615 1.00 0.00 O ATOM 0 H ASP A 41 6.804 -13.602 -9.781 1.00 0.00 H new ATOM 0 HA ASP A 41 7.681 -12.968 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.974 -13.382 -8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.818 -14.669 -8.483 1.00 0.00 H new ATOM 612 N SER A 42 8.391 -10.733 -9.527 1.00 0.00 N ATOM 613 CA SER A 42 8.806 -9.347 -9.738 1.00 0.00 C ATOM 614 C SER A 42 8.753 -8.996 -11.222 1.00 0.00 C ATOM 615 O SER A 42 8.291 -7.921 -11.603 1.00 0.00 O ATOM 616 CB SER A 42 10.233 -9.124 -9.230 1.00 0.00 C ATOM 617 OG SER A 42 10.586 -7.758 -9.408 1.00 0.00 O ATOM 0 H SER A 42 8.128 -11.232 -10.377 1.00 0.00 H new ATOM 0 HA SER A 42 8.120 -8.707 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.303 -9.396 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.929 -9.765 -9.771 1.00 0.00 H new ATOM 0 HG SER A 42 11.180 -7.476 -8.681 1.00 0.00 H new ATOM 623 N LEU A 43 9.234 -9.916 -12.055 1.00 0.00 N ATOM 624 CA LEU A 43 9.241 -9.694 -13.500 1.00 0.00 C ATOM 625 C LEU A 43 7.818 -9.508 -14.021 1.00 0.00 C ATOM 626 O LEU A 43 7.583 -8.759 -14.968 1.00 0.00 O ATOM 627 CB LEU A 43 9.890 -10.877 -14.223 1.00 0.00 C ATOM 628 CG LEU A 43 9.174 -12.177 -13.837 1.00 0.00 C ATOM 629 CD1 LEU A 43 8.172 -12.558 -14.930 1.00 0.00 C ATOM 630 CD2 LEU A 43 10.204 -13.300 -13.683 1.00 0.00 C ATOM 0 H LEU A 43 9.620 -10.813 -11.760 1.00 0.00 H new ATOM 0 HA LEU A 43 9.818 -8.791 -13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.838 -10.729 -15.302 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.946 -10.941 -13.960 1.00 0.00 H new ATOM 0 HG LEU A 43 8.646 -12.031 -12.895 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.665 -13.482 -14.653 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.437 -11.761 -15.044 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.699 -12.702 -15.873 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.696 -14.225 -13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.731 -13.442 -14.626 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.919 -13.034 -12.904 1.00 0.00 H new ATOM 642 N ALA A 44 6.872 -10.198 -13.389 1.00 0.00 N ATOM 643 CA ALA A 44 5.473 -10.099 -13.797 1.00 0.00 C ATOM 644 C ALA A 44 4.933 -8.705 -13.490 1.00 0.00 C ATOM 645 O ALA A 44 4.343 -8.049 -14.348 1.00 0.00 O ATOM 646 CB ALA A 44 4.624 -11.135 -13.056 1.00 0.00 C ATOM 0 H ALA A 44 7.045 -10.824 -12.602 1.00 0.00 H new ATOM 0 HA ALA A 44 5.418 -10.287 -14.869 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.585 -11.047 -13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.989 -12.136 -13.285 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.693 -10.961 -11.982 1.00 0.00 H new ATOM 652 N LEU A 45 5.147 -8.264 -12.255 1.00 0.00 N ATOM 653 CA LEU A 45 4.685 -6.943 -11.830 1.00 0.00 C ATOM 654 C LEU A 45 5.722 -5.856 -12.126 1.00 0.00 C ATOM 655 O LEU A 45 5.569 -4.710 -11.707 1.00 0.00 O ATOM 656 CB LEU A 45 4.405 -6.954 -10.330 1.00 0.00 C ATOM 657 CG LEU A 45 5.668 -7.394 -9.563 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.130 -6.267 -8.635 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.357 -8.642 -8.727 1.00 0.00 C ATOM 0 H LEU A 45 5.634 -8.796 -11.533 1.00 0.00 H new ATOM 0 HA LEU A 45 3.777 -6.718 -12.390 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.097 -5.961 -10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.581 -7.632 -10.110 1.00 0.00 H new ATOM 0 HG LEU A 45 6.457 -7.622 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.023 -6.583 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.358 -5.380 -9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.338 -6.035 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.252 -8.950 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.563 -8.415 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.034 -9.449 -9.385 1.00 0.00 H new ATOM 671 N MET A 46 6.781 -6.224 -12.843 1.00 0.00 N ATOM 672 CA MET A 46 7.834 -5.269 -13.178 1.00 0.00 C ATOM 673 C MET A 46 7.284 -4.148 -14.055 1.00 0.00 C ATOM 674 O MET A 46 7.306 -2.976 -13.676 1.00 0.00 O ATOM 675 CB MET A 46 8.970 -5.971 -13.922 1.00 0.00 C ATOM 676 CG MET A 46 10.279 -5.213 -13.696 1.00 0.00 C ATOM 677 SD MET A 46 11.650 -6.154 -14.412 1.00 0.00 S ATOM 678 CE MET A 46 12.628 -6.323 -12.898 1.00 0.00 C ATOM 0 H MET A 46 6.932 -7.167 -13.200 1.00 0.00 H new ATOM 0 HA MET A 46 8.212 -4.846 -12.247 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.068 -6.998 -13.571 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.745 -6.019 -14.988 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.224 -4.225 -14.153 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.445 -5.062 -12.629 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.538 -6.883 -13.113 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.891 -5.334 -12.522 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.045 -6.854 -12.145 1.00 0.00 H new ATOM 688 N GLU A 47 6.797 -4.520 -15.235 1.00 0.00 N ATOM 689 CA GLU A 47 6.246 -3.538 -16.167 1.00 0.00 C ATOM 690 C GLU A 47 4.982 -2.897 -15.599 1.00 0.00 C ATOM 691 O GLU A 47 4.657 -1.752 -15.913 1.00 0.00 O ATOM 692 CB GLU A 47 5.916 -4.200 -17.507 1.00 0.00 C ATOM 693 CG GLU A 47 7.214 -4.529 -18.248 1.00 0.00 C ATOM 694 CD GLU A 47 6.960 -5.654 -19.246 1.00 0.00 C ATOM 695 OE1 GLU A 47 6.475 -5.361 -20.327 1.00 0.00 O ATOM 696 OE2 GLU A 47 7.254 -6.791 -18.916 1.00 0.00 O ATOM 0 H GLU A 47 6.772 -5.484 -15.568 1.00 0.00 H new ATOM 0 HA GLU A 47 6.999 -2.765 -16.319 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.338 -5.110 -17.343 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.299 -3.535 -18.111 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.583 -3.644 -18.767 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.985 -4.826 -17.538 1.00 0.00 H new ATOM 703 N THR A 48 4.268 -3.646 -14.759 1.00 0.00 N ATOM 704 CA THR A 48 3.038 -3.137 -14.152 1.00 0.00 C ATOM 705 C THR A 48 3.319 -1.872 -13.343 1.00 0.00 C ATOM 706 O THR A 48 2.590 -0.884 -13.432 1.00 0.00 O ATOM 707 CB THR A 48 2.425 -4.192 -13.225 1.00 0.00 C ATOM 708 OG1 THR A 48 2.290 -5.417 -13.931 1.00 0.00 O ATOM 709 CG2 THR A 48 1.048 -3.722 -12.745 1.00 0.00 C ATOM 0 H THR A 48 4.516 -4.597 -14.485 1.00 0.00 H new ATOM 0 HA THR A 48 2.340 -2.904 -14.956 1.00 0.00 H new ATOM 0 HB THR A 48 3.075 -4.337 -12.362 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.396 -5.468 -14.329 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.616 -4.475 -12.086 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.153 -2.782 -12.202 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.394 -3.574 -13.604 1.00 0.00 H new ATOM 717 N ALA A 49 4.385 -1.919 -12.552 1.00 0.00 N ATOM 718 CA ALA A 49 4.762 -0.778 -11.724 1.00 0.00 C ATOM 719 C ALA A 49 5.469 0.290 -12.558 1.00 0.00 C ATOM 720 O ALA A 49 5.445 1.473 -12.222 1.00 0.00 O ATOM 721 CB ALA A 49 5.693 -1.223 -10.594 1.00 0.00 C ATOM 0 H ALA A 49 5.000 -2.728 -12.466 1.00 0.00 H new ATOM 0 HA ALA A 49 3.849 -0.358 -11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.965 -0.360 -9.986 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.184 -1.960 -9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.594 -1.666 -11.018 1.00 0.00 H new ATOM 727 N ALA A 50 6.101 -0.139 -13.652 1.00 0.00 N ATOM 728 CA ALA A 50 6.810 0.795 -14.523 1.00 0.00 C ATOM 729 C ALA A 50 5.847 1.831 -15.096 1.00 0.00 C ATOM 730 O ALA A 50 6.171 3.015 -15.191 1.00 0.00 O ATOM 731 CB ALA A 50 7.480 0.045 -15.677 1.00 0.00 C ATOM 0 H ALA A 50 6.136 -1.113 -13.952 1.00 0.00 H new ATOM 0 HA ALA A 50 7.570 1.299 -13.926 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.004 0.755 -16.317 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.192 -0.677 -15.277 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.722 -0.478 -16.260 1.00 0.00 H new ATOM 737 N ARG A 51 4.657 1.372 -15.471 1.00 0.00 N ATOM 738 CA ARG A 51 3.645 2.267 -16.030 1.00 0.00 C ATOM 739 C ARG A 51 2.793 2.877 -14.920 1.00 0.00 C ATOM 740 O ARG A 51 2.259 3.976 -15.063 1.00 0.00 O ATOM 741 CB ARG A 51 2.733 1.510 -16.996 1.00 0.00 C ATOM 742 CG ARG A 51 2.213 2.472 -18.065 1.00 0.00 C ATOM 743 CD ARG A 51 3.200 2.520 -19.233 1.00 0.00 C ATOM 744 NE ARG A 51 2.944 1.427 -20.169 1.00 0.00 N ATOM 745 CZ ARG A 51 3.947 0.757 -20.728 1.00 0.00 C ATOM 746 NH1 ARG A 51 4.616 1.287 -21.716 1.00 0.00 N ATOM 747 NH2 ARG A 51 4.261 -0.431 -20.292 1.00 0.00 N ATOM 0 H ARG A 51 4.370 0.396 -15.400 1.00 0.00 H new ATOM 0 HA ARG A 51 4.164 3.061 -16.566 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.280 0.691 -17.463 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.898 1.067 -16.453 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.234 2.147 -18.416 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.086 3.468 -17.642 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.114 3.476 -19.750 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.221 2.452 -18.857 1.00 0.00 H new ATOM 0 HE ARG A 51 1.982 1.175 -20.397 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.369 2.215 -22.059 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.386 0.773 -22.145 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.737 -0.847 -19.522 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.031 -0.945 -20.721 1.00 0.00 H new ATOM 761 N LEU A 52 2.667 2.149 -13.811 1.00 0.00 N ATOM 762 CA LEU A 52 1.875 2.627 -12.680 1.00 0.00 C ATOM 763 C LEU A 52 2.524 3.852 -12.033 1.00 0.00 C ATOM 764 O LEU A 52 1.852 4.643 -11.371 1.00 0.00 O ATOM 765 CB LEU A 52 1.733 1.527 -11.627 1.00 0.00 C ATOM 766 CG LEU A 52 0.600 1.885 -10.663 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.739 1.816 -11.400 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.592 0.892 -9.499 1.00 0.00 C ATOM 0 H LEU A 52 3.099 1.235 -13.672 1.00 0.00 H new ATOM 0 HA LEU A 52 0.892 2.904 -13.060 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.526 0.572 -12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.668 1.411 -11.079 1.00 0.00 H new ATOM 0 HG LEU A 52 0.752 2.895 -10.281 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.546 2.071 -10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.734 2.521 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.893 0.807 -11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.214 1.145 -8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.439 -0.117 -9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.546 0.940 -8.974 1.00 0.00 H new ATOM 780 N GLU A 53 3.834 4.004 -12.227 1.00 0.00 N ATOM 781 CA GLU A 53 4.550 5.140 -11.649 1.00 0.00 C ATOM 782 C GLU A 53 4.568 6.340 -12.604 1.00 0.00 C ATOM 783 O GLU A 53 5.347 7.275 -12.419 1.00 0.00 O ATOM 784 CB GLU A 53 5.994 4.748 -11.326 1.00 0.00 C ATOM 785 CG GLU A 53 6.043 4.028 -9.978 1.00 0.00 C ATOM 786 CD GLU A 53 7.183 3.014 -9.984 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.256 3.361 -10.451 1.00 0.00 O ATOM 788 OE2 GLU A 53 6.966 1.906 -9.521 1.00 0.00 O ATOM 0 H GLU A 53 4.413 3.365 -12.772 1.00 0.00 H new ATOM 0 HA GLU A 53 4.024 5.423 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.389 4.101 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.625 5.637 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.188 4.749 -9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.095 3.524 -9.788 1.00 0.00 H new ATOM 795 N SER A 54 3.712 6.311 -13.629 1.00 0.00 N ATOM 796 CA SER A 54 3.661 7.409 -14.591 1.00 0.00 C ATOM 797 C SER A 54 2.479 8.333 -14.307 1.00 0.00 C ATOM 798 O SER A 54 2.582 9.553 -14.442 1.00 0.00 O ATOM 799 CB SER A 54 3.542 6.867 -16.018 1.00 0.00 C ATOM 800 OG SER A 54 2.206 6.441 -16.254 1.00 0.00 O ATOM 0 H SER A 54 3.056 5.551 -13.811 1.00 0.00 H new ATOM 0 HA SER A 54 4.587 7.976 -14.492 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.821 7.638 -16.736 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.231 6.035 -16.161 1.00 0.00 H new ATOM 0 HG SER A 54 2.032 5.617 -15.753 1.00 0.00 H new ATOM 806 N ARG A 55 1.351 7.739 -13.922 1.00 0.00 N ATOM 807 CA ARG A 55 0.143 8.524 -13.633 1.00 0.00 C ATOM 808 C ARG A 55 0.032 8.824 -12.138 1.00 0.00 C ATOM 809 O ARG A 55 -1.059 9.079 -11.627 1.00 0.00 O ATOM 810 CB ARG A 55 -1.140 7.784 -14.066 1.00 0.00 C ATOM 811 CG ARG A 55 -0.862 6.842 -15.245 1.00 0.00 C ATOM 812 CD ARG A 55 -2.179 6.477 -15.932 1.00 0.00 C ATOM 813 NE ARG A 55 -2.616 7.553 -16.819 1.00 0.00 N ATOM 814 CZ ARG A 55 -1.872 7.933 -17.854 1.00 0.00 C ATOM 815 NH1 ARG A 55 -1.408 7.042 -18.687 1.00 0.00 N ATOM 816 NH2 ARG A 55 -1.608 9.198 -18.039 1.00 0.00 N ATOM 0 H ARG A 55 1.244 6.732 -13.803 1.00 0.00 H new ATOM 0 HA ARG A 55 0.236 9.450 -14.200 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.536 7.213 -13.226 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.904 8.508 -14.347 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.190 7.322 -15.956 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.362 5.940 -14.893 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.054 5.557 -16.503 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.945 6.285 -15.181 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.505 8.020 -16.642 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.616 6.054 -18.545 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.838 7.334 -19.481 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.972 9.895 -17.390 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.037 9.489 -18.833 1.00 0.00 H new ATOM 830 N TYR A 56 1.163 8.790 -11.439 1.00 0.00 N ATOM 831 CA TYR A 56 1.161 9.056 -10.005 1.00 0.00 C ATOM 832 C TYR A 56 2.236 10.080 -9.652 1.00 0.00 C ATOM 833 O TYR A 56 1.989 11.028 -8.908 1.00 0.00 O ATOM 834 CB TYR A 56 1.415 7.766 -9.226 1.00 0.00 C ATOM 835 CG TYR A 56 0.193 6.880 -9.311 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.171 6.295 -10.533 1.00 0.00 C ATOM 837 CD2 TYR A 56 -0.577 6.645 -8.165 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.305 5.476 -10.605 1.00 0.00 C ATOM 839 CE2 TYR A 56 -1.710 5.826 -8.239 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.073 5.242 -9.459 1.00 0.00 C ATOM 841 OH TYR A 56 -3.190 4.434 -9.532 1.00 0.00 O ATOM 0 H TYR A 56 2.080 8.584 -11.835 1.00 0.00 H new ATOM 0 HA TYR A 56 0.183 9.455 -9.734 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.283 7.247 -9.633 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.640 7.995 -8.184 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.422 6.476 -11.417 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.297 7.096 -7.224 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.587 5.025 -11.545 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.304 5.645 -7.355 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.299 3.950 -8.687 1.00 0.00 H new ATOM 851 N GLY A 57 3.431 9.881 -10.201 1.00 0.00 N ATOM 852 CA GLY A 57 4.540 10.797 -9.943 1.00 0.00 C ATOM 853 C GLY A 57 5.274 10.429 -8.656 1.00 0.00 C ATOM 854 O GLY A 57 5.885 11.283 -8.011 1.00 0.00 O ATOM 0 H GLY A 57 3.656 9.103 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.237 10.774 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.163 11.817 -9.870 1.00 0.00 H new ATOM 858 N VAL A 58 5.215 9.152 -8.287 1.00 0.00 N ATOM 859 CA VAL A 58 5.880 8.687 -7.081 1.00 0.00 C ATOM 860 C VAL A 58 7.256 8.116 -7.432 1.00 0.00 C ATOM 861 O VAL A 58 7.527 7.777 -8.583 1.00 0.00 O ATOM 862 CB VAL A 58 5.017 7.619 -6.393 1.00 0.00 C ATOM 863 CG1 VAL A 58 4.804 6.428 -7.332 1.00 0.00 C ATOM 864 CG2 VAL A 58 5.700 7.142 -5.114 1.00 0.00 C ATOM 0 H VAL A 58 4.716 8.428 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 58 6.015 9.525 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 58 4.050 8.057 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.191 5.677 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.300 6.765 -8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.769 5.993 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.082 6.385 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.672 6.715 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.834 7.986 -4.437 1.00 0.00 H new ATOM 874 N SER A 59 8.119 8.016 -6.424 1.00 0.00 N ATOM 875 CA SER A 59 9.466 7.487 -6.634 1.00 0.00 C ATOM 876 C SER A 59 9.402 6.063 -7.183 1.00 0.00 C ATOM 877 O SER A 59 8.371 5.396 -7.100 1.00 0.00 O ATOM 878 CB SER A 59 10.247 7.478 -5.319 1.00 0.00 C ATOM 879 OG SER A 59 10.381 8.812 -4.844 1.00 0.00 O ATOM 0 H SER A 59 7.914 8.291 -5.463 1.00 0.00 H new ATOM 0 HA SER A 59 9.972 8.131 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.730 6.866 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.230 7.033 -5.470 1.00 0.00 H new ATOM 0 HG SER A 59 10.880 8.810 -4.000 1.00 0.00 H new ATOM 885 N ILE A 60 10.515 5.609 -7.754 1.00 0.00 N ATOM 886 CA ILE A 60 10.572 4.266 -8.325 1.00 0.00 C ATOM 887 C ILE A 60 11.588 3.396 -7.562 1.00 0.00 C ATOM 888 O ILE A 60 12.731 3.239 -7.993 1.00 0.00 O ATOM 889 CB ILE A 60 10.950 4.345 -9.815 1.00 0.00 C ATOM 890 CG1 ILE A 60 11.001 2.933 -10.420 1.00 0.00 C ATOM 891 CG2 ILE A 60 12.314 5.034 -9.981 1.00 0.00 C ATOM 892 CD1 ILE A 60 10.819 3.020 -11.936 1.00 0.00 C ATOM 0 H ILE A 60 11.380 6.144 -7.833 1.00 0.00 H new ATOM 0 HA ILE A 60 9.589 3.805 -8.232 1.00 0.00 H new ATOM 0 HB ILE A 60 10.193 4.930 -10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.954 2.459 -10.184 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.219 2.311 -9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 60 12.570 5.084 -11.039 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.264 6.043 -9.572 1.00 0.00 H new ATOM 0 HG23 ILE A 60 13.076 4.464 -9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.855 2.019 -12.365 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.855 3.477 -12.161 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.617 3.627 -12.364 1.00 0.00 H new ATOM 904 N PRO A 61 11.185 2.813 -6.419 1.00 0.00 N ATOM 905 CA PRO A 61 12.083 1.958 -5.622 1.00 0.00 C ATOM 906 C PRO A 61 12.134 0.524 -6.147 1.00 0.00 C ATOM 907 O PRO A 61 11.271 -0.296 -5.838 1.00 0.00 O ATOM 908 CB PRO A 61 11.435 2.004 -4.245 1.00 0.00 C ATOM 909 CG PRO A 61 9.964 2.345 -4.452 1.00 0.00 C ATOM 910 CD PRO A 61 9.826 2.962 -5.847 1.00 0.00 C ATOM 0 HA PRO A 61 13.119 2.297 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.540 1.045 -3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.919 2.752 -3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.347 1.450 -4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.621 3.043 -3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.078 2.442 -6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.523 4.008 -5.797 1.00 0.00 H new ATOM 918 N ASP A 62 13.152 0.235 -6.951 1.00 0.00 N ATOM 919 CA ASP A 62 13.305 -1.102 -7.525 1.00 0.00 C ATOM 920 C ASP A 62 13.708 -2.131 -6.464 1.00 0.00 C ATOM 921 O ASP A 62 13.593 -3.336 -6.684 1.00 0.00 O ATOM 922 CB ASP A 62 14.367 -1.089 -8.626 1.00 0.00 C ATOM 923 CG ASP A 62 13.713 -0.745 -9.959 1.00 0.00 C ATOM 924 OD1 ASP A 62 12.957 -1.566 -10.454 1.00 0.00 O ATOM 925 OD2 ASP A 62 13.977 0.333 -10.467 1.00 0.00 O ATOM 0 H ASP A 62 13.878 0.899 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 62 12.338 -1.386 -7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.142 -0.360 -8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.854 -2.062 -8.688 1.00 0.00 H new ATOM 930 N ASP A 63 14.192 -1.655 -5.316 1.00 0.00 N ATOM 931 CA ASP A 63 14.614 -2.563 -4.252 1.00 0.00 C ATOM 932 C ASP A 63 13.417 -3.297 -3.650 1.00 0.00 C ATOM 933 O ASP A 63 13.284 -4.513 -3.791 1.00 0.00 O ATOM 934 CB ASP A 63 15.336 -1.792 -3.143 1.00 0.00 C ATOM 935 CG ASP A 63 16.417 -2.676 -2.530 1.00 0.00 C ATOM 936 OD1 ASP A 63 16.068 -3.570 -1.778 1.00 0.00 O ATOM 937 OD2 ASP A 63 17.579 -2.445 -2.821 1.00 0.00 O ATOM 0 H ASP A 63 14.300 -0.664 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 63 15.294 -3.292 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.781 -0.883 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.625 -1.485 -2.377 1.00 0.00 H new ATOM 942 N VAL A 64 12.553 -2.551 -2.967 1.00 0.00 N ATOM 943 CA VAL A 64 11.378 -3.149 -2.336 1.00 0.00 C ATOM 944 C VAL A 64 10.340 -3.548 -3.386 1.00 0.00 C ATOM 945 O VAL A 64 9.765 -4.635 -3.330 1.00 0.00 O ATOM 946 CB VAL A 64 10.759 -2.169 -1.325 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.256 -0.911 -2.042 1.00 0.00 C ATOM 948 CG2 VAL A 64 9.590 -2.843 -0.597 1.00 0.00 C ATOM 0 H VAL A 64 12.641 -1.543 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 64 11.695 -4.048 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 64 11.524 -1.884 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.821 -0.227 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.089 -0.422 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.500 -1.189 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.155 -2.144 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.832 -3.139 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.951 -3.725 -0.069 1.00 0.00 H new ATOM 958 N ALA A 65 10.106 -2.655 -4.341 1.00 0.00 N ATOM 959 CA ALA A 65 9.134 -2.920 -5.399 1.00 0.00 C ATOM 960 C ALA A 65 9.579 -4.100 -6.258 1.00 0.00 C ATOM 961 O ALA A 65 8.756 -4.840 -6.795 1.00 0.00 O ATOM 962 CB ALA A 65 8.966 -1.692 -6.294 1.00 0.00 C ATOM 0 H ALA A 65 10.570 -1.749 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 65 8.183 -3.157 -4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.238 -1.909 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.616 -0.851 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.924 -1.440 -6.749 1.00 0.00 H new ATOM 968 N GLY A 66 10.893 -4.264 -6.383 1.00 0.00 N ATOM 969 CA GLY A 66 11.441 -5.356 -7.184 1.00 0.00 C ATOM 970 C GLY A 66 11.392 -6.676 -6.422 1.00 0.00 C ATOM 971 O GLY A 66 11.307 -7.748 -7.021 1.00 0.00 O ATOM 0 H GLY A 66 11.592 -3.663 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.878 -5.448 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.471 -5.129 -7.457 1.00 0.00 H new ATOM 975 N ARG A 67 11.453 -6.591 -5.095 1.00 0.00 N ATOM 976 CA ARG A 67 11.420 -7.794 -4.267 1.00 0.00 C ATOM 977 C ARG A 67 10.167 -7.818 -3.394 1.00 0.00 C ATOM 978 O ARG A 67 10.211 -8.211 -2.226 1.00 0.00 O ATOM 979 CB ARG A 67 12.661 -7.856 -3.372 1.00 0.00 C ATOM 980 CG ARG A 67 13.846 -8.392 -4.178 1.00 0.00 C ATOM 981 CD ARG A 67 14.865 -9.026 -3.229 1.00 0.00 C ATOM 982 NE ARG A 67 15.915 -9.706 -3.982 1.00 0.00 N ATOM 983 CZ ARG A 67 17.082 -9.113 -4.220 1.00 0.00 C ATOM 984 NH1 ARG A 67 18.021 -9.132 -3.313 1.00 0.00 N ATOM 985 NH2 ARG A 67 17.289 -8.512 -5.359 1.00 0.00 N ATOM 0 H ARG A 67 11.524 -5.716 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 67 11.406 -8.658 -4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.891 -6.864 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.471 -8.500 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.502 -9.129 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.312 -7.583 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.305 -8.258 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.364 -9.736 -2.571 1.00 0.00 H new ATOM 0 HE ARG A 67 15.751 -10.650 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.860 -9.602 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.916 -8.677 -3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.556 -8.496 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.184 -8.058 -5.541 1.00 0.00 H new ATOM 999 N VAL A 68 9.042 -7.401 -3.972 1.00 0.00 N ATOM 1000 CA VAL A 68 7.783 -7.390 -3.232 1.00 0.00 C ATOM 1001 C VAL A 68 7.125 -8.772 -3.288 1.00 0.00 C ATOM 1002 O VAL A 68 6.738 -9.249 -4.355 1.00 0.00 O ATOM 1003 CB VAL A 68 6.825 -6.326 -3.799 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.418 -6.675 -5.235 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.572 -6.251 -2.923 1.00 0.00 C ATOM 0 H VAL A 68 8.976 -7.071 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 68 7.999 -7.141 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 68 7.336 -5.363 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.741 -5.911 -5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.307 -6.720 -5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.916 -7.643 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.893 -5.498 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.075 -7.221 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.855 -5.980 -1.906 1.00 0.00 H new ATOM 1015 N ASP A 69 7.010 -9.407 -2.126 1.00 0.00 N ATOM 1016 CA ASP A 69 6.404 -10.733 -2.054 1.00 0.00 C ATOM 1017 C ASP A 69 4.911 -10.631 -1.755 1.00 0.00 C ATOM 1018 O ASP A 69 4.126 -11.495 -2.147 1.00 0.00 O ATOM 1019 CB ASP A 69 7.075 -11.569 -0.962 1.00 0.00 C ATOM 1020 CG ASP A 69 8.472 -11.977 -1.419 1.00 0.00 C ATOM 1021 OD1 ASP A 69 8.609 -12.365 -2.566 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.384 -11.894 -0.613 1.00 0.00 O ATOM 0 H ASP A 69 7.324 -9.031 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 69 6.544 -11.215 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.136 -10.996 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.477 -12.455 -0.749 1.00 0.00 H new ATOM 1027 N THR A 70 4.523 -9.568 -1.052 1.00 0.00 N ATOM 1028 CA THR A 70 3.118 -9.371 -0.705 1.00 0.00 C ATOM 1029 C THR A 70 2.561 -8.116 -1.388 1.00 0.00 C ATOM 1030 O THR A 70 3.305 -7.180 -1.676 1.00 0.00 O ATOM 1031 CB THR A 70 2.956 -9.228 0.808 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.093 -8.566 1.343 1.00 0.00 O ATOM 1033 CG2 THR A 70 2.825 -10.613 1.442 1.00 0.00 C ATOM 0 H THR A 70 5.153 -8.839 -0.716 1.00 0.00 H new ATOM 0 HA THR A 70 2.564 -10.244 -1.050 1.00 0.00 H new ATOM 0 HB THR A 70 2.060 -8.646 1.025 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.990 -8.472 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.710 -10.510 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.952 -11.120 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.720 -11.198 1.227 1.00 0.00 H new ATOM 1041 N PRO A 71 1.243 -8.077 -1.651 1.00 0.00 N ATOM 1042 CA PRO A 71 0.609 -6.913 -2.304 1.00 0.00 C ATOM 1043 C PRO A 71 0.410 -5.744 -1.344 1.00 0.00 C ATOM 1044 O PRO A 71 0.614 -4.585 -1.703 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.737 -7.471 -2.742 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.035 -8.649 -1.829 1.00 0.00 C ATOM 1047 CD PRO A 71 0.305 -9.175 -1.319 1.00 0.00 C ATOM 0 HA PRO A 71 1.216 -6.511 -3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.516 -6.712 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.705 -7.787 -3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.669 -8.341 -0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.574 -9.428 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.279 -9.373 -0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.585 -10.107 -1.809 1.00 0.00 H new ATOM 1055 N ARG A 72 0.007 -6.064 -0.114 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.216 -5.032 0.902 1.00 0.00 C ATOM 1057 C ARG A 72 1.035 -4.171 1.080 1.00 0.00 C ATOM 1058 O ARG A 72 0.949 -2.986 1.407 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.573 -5.671 2.247 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.497 -4.734 3.027 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.953 -5.064 2.699 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.861 -4.242 3.495 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.923 -4.776 4.092 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.790 -5.383 5.240 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -6.098 -4.692 3.530 1.00 0.00 N ATOM 0 H ARG A 72 -0.170 -7.018 0.202 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.042 -4.406 0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.063 -6.632 2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.333 -5.867 2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.321 -4.841 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.281 -3.697 2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.139 -4.897 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.145 -6.119 2.894 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.678 -3.244 3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.872 -5.448 5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.604 -5.792 5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.202 -4.217 2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.913 -5.101 3.987 1.00 0.00 H new ATOM 1079 N GLU A 73 2.197 -4.779 0.849 1.00 0.00 N ATOM 1080 CA GLU A 73 3.462 -4.061 0.977 1.00 0.00 C ATOM 1081 C GLU A 73 3.590 -3.025 -0.135 1.00 0.00 C ATOM 1082 O GLU A 73 4.057 -1.910 0.086 1.00 0.00 O ATOM 1083 CB GLU A 73 4.643 -5.031 0.896 1.00 0.00 C ATOM 1084 CG GLU A 73 5.829 -4.458 1.673 1.00 0.00 C ATOM 1085 CD GLU A 73 5.706 -4.839 3.145 1.00 0.00 C ATOM 1086 OE1 GLU A 73 4.599 -4.800 3.655 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.720 -5.164 3.739 1.00 0.00 O ATOM 0 H GLU A 73 2.288 -5.757 0.575 1.00 0.00 H new ATOM 0 HA GLU A 73 3.474 -3.563 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.360 -6.000 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.922 -5.195 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.764 -4.841 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.856 -3.373 1.568 1.00 0.00 H new ATOM 1094 N LEU A 74 3.163 -3.412 -1.337 1.00 0.00 N ATOM 1095 CA LEU A 74 3.225 -2.514 -2.490 1.00 0.00 C ATOM 1096 C LEU A 74 2.428 -1.240 -2.219 1.00 0.00 C ATOM 1097 O LEU A 74 2.929 -0.130 -2.396 1.00 0.00 O ATOM 1098 CB LEU A 74 2.657 -3.201 -3.735 1.00 0.00 C ATOM 1099 CG LEU A 74 3.368 -2.666 -4.981 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.624 -3.497 -5.249 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.429 -2.766 -6.185 1.00 0.00 C ATOM 0 H LEU A 74 2.774 -4.333 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 74 4.271 -2.259 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.791 -4.280 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.585 -3.018 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 74 3.647 -1.625 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.130 -3.116 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.294 -3.430 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.344 -4.538 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.934 -2.385 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.151 -3.808 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.532 -2.176 -5.997 1.00 0.00 H new ATOM 1113 N LEU A 75 1.180 -1.411 -1.781 1.00 0.00 N ATOM 1114 CA LEU A 75 0.315 -0.266 -1.479 1.00 0.00 C ATOM 1115 C LEU A 75 0.991 0.670 -0.472 1.00 0.00 C ATOM 1116 O LEU A 75 1.191 1.849 -0.746 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.024 -0.750 -0.902 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.950 0.443 -0.617 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.558 0.952 -1.924 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.069 -0.002 0.324 1.00 0.00 C ATOM 0 H LEU A 75 0.747 -2.322 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 75 0.136 0.278 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.504 -1.431 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.850 -1.310 0.017 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.375 1.244 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.213 1.798 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.761 1.268 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.134 0.154 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.729 0.841 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.640 -0.804 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.637 -0.361 1.258 1.00 0.00 H new ATOM 1132 N ASP A 76 1.329 0.128 0.693 1.00 0.00 N ATOM 1133 CA ASP A 76 1.974 0.923 1.739 1.00 0.00 C ATOM 1134 C ASP A 76 3.275 1.562 1.240 1.00 0.00 C ATOM 1135 O ASP A 76 3.755 2.541 1.811 1.00 0.00 O ATOM 1136 CB ASP A 76 2.291 0.046 2.952 1.00 0.00 C ATOM 1137 CG ASP A 76 1.015 -0.208 3.747 1.00 0.00 C ATOM 1138 OD1 ASP A 76 -0.015 -0.415 3.126 1.00 0.00 O ATOM 1139 OD2 ASP A 76 1.085 -0.191 4.965 1.00 0.00 O ATOM 0 H ASP A 76 1.170 -0.849 0.938 1.00 0.00 H new ATOM 0 HA ASP A 76 1.278 1.714 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.723 -0.900 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.033 0.535 3.583 1.00 0.00 H new ATOM 1144 N LEU A 77 3.848 0.995 0.178 1.00 0.00 N ATOM 1145 CA LEU A 77 5.098 1.517 -0.372 1.00 0.00 C ATOM 1146 C LEU A 77 4.873 2.849 -1.086 1.00 0.00 C ATOM 1147 O LEU A 77 5.344 3.895 -0.641 1.00 0.00 O ATOM 1148 CB LEU A 77 5.698 0.515 -1.369 1.00 0.00 C ATOM 1149 CG LEU A 77 7.231 0.543 -1.306 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.750 1.954 -1.607 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.699 0.111 0.087 1.00 0.00 C ATOM 0 H LEU A 77 3.472 0.184 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 77 5.785 1.672 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.338 -0.489 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.366 0.755 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 77 7.625 -0.146 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.839 1.959 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.429 2.254 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.351 2.653 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.788 0.132 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.295 0.793 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.348 -0.900 0.291 1.00 0.00 H new ATOM 1163 N ILE A 78 4.150 2.796 -2.204 1.00 0.00 N ATOM 1164 CA ILE A 78 3.862 4.000 -2.993 1.00 0.00 C ATOM 1165 C ILE A 78 3.238 5.092 -2.116 1.00 0.00 C ATOM 1166 O ILE A 78 3.459 6.284 -2.325 1.00 0.00 O ATOM 1167 CB ILE A 78 2.898 3.652 -4.140 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.538 2.590 -5.053 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.573 4.902 -4.965 1.00 0.00 C ATOM 1170 CD1 ILE A 78 4.854 3.113 -5.644 1.00 0.00 C ATOM 0 H ILE A 78 3.753 1.937 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 78 4.801 4.375 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 78 1.975 3.261 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.724 1.678 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.849 2.330 -5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.890 4.638 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.106 5.650 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.492 5.309 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.293 2.350 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.658 4.012 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.547 3.350 -4.836 1.00 0.00 H new ATOM 1182 N ASN A 79 2.455 4.656 -1.142 1.00 0.00 N ATOM 1183 CA ASN A 79 1.779 5.573 -0.223 1.00 0.00 C ATOM 1184 C ASN A 79 2.779 6.508 0.460 1.00 0.00 C ATOM 1185 O ASN A 79 2.642 7.731 0.410 1.00 0.00 O ATOM 1186 CB ASN A 79 1.028 4.774 0.849 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.321 5.426 1.135 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -1.398 4.688 1.138 1.00 0.00 O flip ATOM 1189 ND2 ASN A 79 -0.401 6.633 1.361 1.00 0.00 N flip ATOM 0 H ASN A 79 2.268 3.669 -0.963 1.00 0.00 H new ATOM 0 HA ASN A 79 1.078 6.174 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.881 3.747 0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.621 4.729 1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.441 7.209 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.309 7.057 1.551 1.00 0.00 H new ATOM 1196 N GLY A 80 3.782 5.917 1.103 1.00 0.00 N ATOM 1197 CA GLY A 80 4.797 6.704 1.802 1.00 0.00 C ATOM 1198 C GLY A 80 5.561 7.602 0.834 1.00 0.00 C ATOM 1199 O GLY A 80 5.755 8.790 1.088 1.00 0.00 O ATOM 0 H GLY A 80 3.915 4.907 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.323 7.314 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.493 6.036 2.309 1.00 0.00 H new ATOM 1203 N ALA A 81 5.997 7.018 -0.279 1.00 0.00 N ATOM 1204 CA ALA A 81 6.746 7.771 -1.285 1.00 0.00 C ATOM 1205 C ALA A 81 5.941 8.969 -1.795 1.00 0.00 C ATOM 1206 O ALA A 81 6.507 9.940 -2.300 1.00 0.00 O ATOM 1207 CB ALA A 81 7.102 6.869 -2.468 1.00 0.00 C ATOM 0 H ALA A 81 5.847 6.035 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 81 7.657 8.135 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.659 7.443 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.713 6.036 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.188 6.484 -2.920 1.00 0.00 H new ATOM 1213 N LEU A 82 4.617 8.896 -1.660 1.00 0.00 N ATOM 1214 CA LEU A 82 3.754 9.983 -2.115 1.00 0.00 C ATOM 1215 C LEU A 82 3.616 11.048 -1.030 1.00 0.00 C ATOM 1216 O LEU A 82 3.458 12.234 -1.319 1.00 0.00 O ATOM 1217 CB LEU A 82 2.362 9.447 -2.468 1.00 0.00 C ATOM 1218 CG LEU A 82 1.787 10.243 -3.643 1.00 0.00 C ATOM 1219 CD1 LEU A 82 0.945 9.318 -4.525 1.00 0.00 C ATOM 1220 CD2 LEU A 82 0.907 11.376 -3.107 1.00 0.00 C ATOM 0 H LEU A 82 4.124 8.105 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 82 4.210 10.426 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.423 8.390 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.701 9.526 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 82 2.603 10.662 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.536 9.885 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.570 8.510 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.128 8.899 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.497 11.944 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.092 10.956 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.506 12.036 -2.479 1.00 0.00 H new ATOM 1232 N ALA A 83 3.675 10.611 0.226 1.00 0.00 N ATOM 1233 CA ALA A 83 3.552 11.533 1.351 1.00 0.00 C ATOM 1234 C ALA A 83 4.739 12.492 1.394 1.00 0.00 C ATOM 1235 O ALA A 83 4.594 13.666 1.733 1.00 0.00 O ATOM 1236 CB ALA A 83 3.487 10.762 2.671 1.00 0.00 C ATOM 0 H ALA A 83 3.806 9.634 0.488 1.00 0.00 H new ATOM 0 HA ALA A 83 2.632 12.102 1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.395 11.465 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.623 10.097 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.396 10.173 2.794 1.00 0.00 H new ATOM 1242 N GLU A 84 5.917 11.976 1.049 1.00 0.00 N ATOM 1243 CA GLU A 84 7.128 12.797 1.053 1.00 0.00 C ATOM 1244 C GLU A 84 6.989 13.961 0.078 1.00 0.00 C ATOM 1245 O GLU A 84 7.405 15.083 0.365 1.00 0.00 O ATOM 1246 CB GLU A 84 8.345 11.958 0.659 1.00 0.00 C ATOM 1247 CG GLU A 84 8.686 10.988 1.792 1.00 0.00 C ATOM 1248 CD GLU A 84 10.110 10.474 1.610 1.00 0.00 C ATOM 1249 OE1 GLU A 84 11.015 11.291 1.588 1.00 0.00 O ATOM 1250 OE2 GLU A 84 10.274 9.270 1.496 1.00 0.00 O ATOM 0 H GLU A 84 6.059 11.006 0.766 1.00 0.00 H new ATOM 0 HA GLU A 84 7.266 13.185 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.137 11.405 -0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.196 12.607 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.589 11.489 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.984 10.154 1.794 1.00 0.00 H new ATOM 1257 N ALA A 85 6.398 13.680 -1.079 1.00 0.00 N ATOM 1258 CA ALA A 85 6.206 14.712 -2.095 1.00 0.00 C ATOM 1259 C ALA A 85 5.290 15.811 -1.568 1.00 0.00 C ATOM 1260 O ALA A 85 5.474 16.990 -1.867 1.00 0.00 O ATOM 1261 CB ALA A 85 5.589 14.112 -3.360 1.00 0.00 C ATOM 0 H ALA A 85 6.047 12.757 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 85 7.182 15.134 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.453 14.896 -4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.251 13.343 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.623 13.669 -3.119 1.00 0.00 H new ATOM 1267 N ALA A 86 4.300 15.408 -0.776 1.00 0.00 N ATOM 1268 CA ALA A 86 3.354 16.364 -0.207 1.00 0.00 C ATOM 1269 C ALA A 86 3.061 16.017 1.249 1.00 0.00 C ATOM 1270 O ALA A 86 3.502 16.755 2.114 1.00 0.00 O ATOM 1271 CB ALA A 86 2.044 16.357 -0.995 1.00 0.00 C ATOM 1272 OXT ALA A 86 2.399 15.017 1.477 1.00 0.00 O ATOM 0 H ALA A 86 4.132 14.436 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 86 3.803 17.356 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.352 17.075 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.242 16.630 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.604 15.361 -0.960 1.00 0.00 H new